smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1cc(CNC(=O)CSCc2c(F)cccc2Cl)ccc1OC(C)C 218200469 QDBSFTZNUNNZMK-UHFFFAOYSA-N 411.926 4.825 70 40 HJIB Cc1ccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3cc(C)c(Cl)c(C)c3)n2)cc1 218717849 HLYHDJBPCQDPAO-MRXNPFEDSA-N 413.905 4.741 70 40 HJIB COP(=O)(OC)C1(O)[C@H]2CCC[C@@H]1[C@H](c1ccccc1)N[C@H]2c1ccccc1 217437036 FVURVDZRDOAWTJ-INFJVKRUSA-N 401.443 4.663 70 40 HJIB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CN1C(=O)c2cccc3cccc1c23 218318775 CXFMXQVZBDOWDN-IBGZPJMESA-N 400.478 4.527 70 40 HJIB Cc1cccc(-c2noc(CN(C)C(=O)CSCc3ccccc3Cl)n2)c1 218033217 XAXLZZSMYQZRAO-UHFFFAOYSA-N 401.919 4.590 70 40 HJIB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1ccc(CN2CCCCC2)cc1 218613734 QZECJDKOUBQZRI-UHFFFAOYSA-N 424.932 4.648 70 40 HJIB CN1CCC(Oc2ccc(NC(=O)CSCc3c(F)cccc3Cl)cc2)CC1 216931755 ZBOAAHWEGLWRHD-UHFFFAOYSA-N 422.953 4.824 70 40 HJIB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 217035258 OLAQMJJWWCSHHN-NRFANRHFSA-N 402.922 4.609 70 40 HJIB COc1ccccc1NC(=O)N1CCS[C@H]1c1ccc(F)c(Br)c1 217645395 TZDHZDLQNGRGID-INIZCTEOSA-N 411.296 4.876 70 40 HJIB Cc1ccc([C@@H](C)NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2C)cc1C 218584808 DYKNKZOINRPZNT-LJQANCHMSA-N 422.550 4.904 70 40 HJIB Cc1cccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3ccc(C(C)(C)C)cc3)n2)c1 218671218 WBMVWSZDGPDZIH-QGZVFWFLSA-N 407.514 4.768 70 40 HJIB O=C(c1nc2ccccc2s1)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1 217798259 HEOAVBFCRGXFRV-CQSZACIVSA-N 422.485 4.580 70 40 HJIB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@H](C)c3cc(C)ccc3C)c2)cc1 218575084 VFELWSOKAPDDTE-LJQANCHMSA-N 422.550 4.904 70 40 HJIB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 218670843 HCPPHCYICRRAJX-CQSZACIVSA-N 413.905 4.771 70 40 HJIB Cc1ccc(N2C[C@H](C(=O)N3CCCC[C@@H](c4ccc(F)cc4)C3)CC2=O)cc1C 217493749 FSOYBCLDPMCHSA-NHCUHLMSSA-N 408.517 4.592 70 40 HJIB Cc1cccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3ccc(C(C)(C)C)cc3)n2)c1 218671298 WBMVWSZDGPDZIH-KRWDZBQOSA-N 407.514 4.768 70 40 HJIB CN1CCC(Oc2ccc(NC(=O)CCCOc3ccc(Cl)cc3)cc2)CC1 216946716 DHRNSVRCQRBQMK-UHFFFAOYSA-N 402.922 4.611 70 40 HJIB O=C(N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1)C1(c2ccc(Cl)cc2)CCCC1 217657530 MKVFUPYCLSEWFC-OAQYLSRUSA-N 420.944 4.884 70 40 HJIB Cn1cc(CCC(=O)N2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@@H]45)[C@H]32)c2ccccc21 218081315 VSQLAKXXNNBBMF-FVJFVQOASA-N 417.597 4.533 70 40 HJIB O=C(c1cc2ccccc2o1)N1CCC(N2CCC[C@@H]2COCc2ccccc2)CC1 217596592 CLDAKFYENNBMCU-HSZRJFAPSA-N 418.537 4.719 70 40 HJIB CCOc1ccc(CNC(=O)CSCc2c(F)cccc2Cl)cc1OCC 218200355 LAMJTAGBRQPUEX-UHFFFAOYSA-N 411.926 4.826 70 40 HJIB Cc1ccc(CSCC(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1 218026407 UBLGXHKGWCVOEH-UHFFFAOYSA-N 401.919 4.590 70 40 HJIB Cc1ccc([C@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1C 218407001 GYQBXKKJRBBTLY-SFHVURJKSA-N 408.523 4.595 70 40 HJIB Cc1ccc([C@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(C)c2)cc1C 218602768 JKESILWPSRBJRP-IBGZPJMESA-N 422.550 4.904 70 40 HJIB CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccc(C)c(C)c1 218407176 VDBDHNIFCPCGGM-QHCPKHFHSA-N 422.550 4.985 70 40 HJIB CC(C)(Oc1ccc(Cl)cc1)C(=O)NC[C@](C)(O)c1cc2ccccc2s1 217505318 IEFPKIXZCZANRE-NRFANRHFSA-N 403.931 4.736 70 40 HJIB Cc1ccc2c(c1)[C@H](NC(=O)c1ccccc1I)CC(C)(C)O2 218217356 YIXMLPDIWCGAOO-MRXNPFEDSA-N 421.278 4.632 70 40 HJIB CSc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1 218516484 LZCYVBGVPOVXHL-UHFFFAOYSA-N 418.584 4.534 70 40 HJIB O=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1cc(F)ccc1O 72399845 XUVGTEJRTSLISN-UHFFFAOYSA-N 414.416 4.510 70 40 HJIB in-vitro Cc1ccc2c(c1)[C@@H](NC(=O)c1ccccc1I)CC(C)(C)O2 218217277 YIXMLPDIWCGAOO-INIZCTEOSA-N 421.278 4.632 70 40 HJIB CN1CCC(Oc2ccc(CNC(=O)CCc3ccc(C(C)(C)C)cc3)cc2)CC1 216943192 DXDNKMFRHVUEQD-UHFFFAOYSA-N 408.586 4.706 70 40 HJIB Cc1ccc([C@H](C)NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)cc1C 218348360 PQEQBRBFWIZGRY-IBGZPJMESA-N 422.550 4.620 70 40 HJIB Cc1ccccc1CSCC(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 218019796 FPWKKLLDFBPIST-UHFFFAOYSA-N 401.919 4.590 70 40 HJIB CC[C@H](NC(=O)c1ccccc1NS(=O)(=O)c1ccccc1)c1ccc(C)c(C)c1 218412185 GAHAYOHKEFOLAU-QFIPXVFZSA-N 422.550 4.985 70 40 HJIB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1nc(-c2ccccc2Cl)no1 218670733 ZVDKWZVXKDNGDR-AWEZNQCLSA-N 413.905 4.771 70 40 HJIB Cc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1S(=O)(=O)N1CCCCCC1 218515853 AVWXNUZILVLPBO-UHFFFAOYSA-N 424.925 4.605 70 40 HJIB Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(C)c2)c1 218601334 MAMFDKGLWJONEB-LJQANCHMSA-N 422.550 4.904 70 40 HJIB Cc1cc(O[C@H](C)C(=O)NCc2nc(-c3ccccc3Cl)no2)cc(C)c1Cl 218717527 HQECQFPLGCQMGE-CYBMUJFWSA-N 420.296 4.744 70 40 HJIB COc1ccc(CN2CCO[C@H]2c2ccn(-c3ccc(Br)cc3)c2)cc1 216743970 KSQCRSUFVWQEPK-NRFANRHFSA-N 413.315 4.779 70 40 HJIB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 216945748 FAHSAMMYQJEPGG-IBGZPJMESA-N 424.585 4.541 70 40 HJIB COc1ccc(-c2noc(CN(C)C(=O)/C=C/c3ccc(C(C)(C)C)cc3)n2)cc1 217955852 LIXKWFJWDDHDQI-OVCLIPMQSA-N 405.498 4.715 70 40 HJIB COc1cc(CNC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)ccc1OC(C)C 218708999 KKUYBJZWIXRIDB-INIZCTEOSA-N 405.922 4.836 70 40 HJIB CC[C@@H](NC(=O)c1ccccc1NS(=O)(=O)c1ccccc1)c1ccc(C)c(C)c1 218412110 GAHAYOHKEFOLAU-JOCHJYFZSA-N 422.550 4.985 70 40 HJIB CN(CCCNC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccccc1 218078999 KTONXAQPYWQART-UHFFFAOYSA-N 413.565 4.501 70 40 HJIB COc1ccc(OC[C@H](C)NC(=O)CSCc2c(Cl)cccc2Cl)cc1 218153714 NRGNGPOVMZWWSC-ZDUSSCGKSA-N 414.354 4.819 70 40 HJIB Cc1ccc(S[C@H](C)C(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1 218145682 RWHRXKBPIWDBTP-CQSZACIVSA-N 401.919 4.838 70 40 HJIB Cc1ccc(C)c([C@H](C)NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2C)c1 218583605 DXWAKXYGZHKQOV-IBGZPJMESA-N 422.550 4.904 70 40 HJIB CC(C(=O)C(=O)c1ccccc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 102132716 OTZJMSJHOUAJBL-UHFFFAOYSA-N 422.464 4.625 70 40 HJIB CC(C)Oc1cccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c1 218303321 CNZLMKAJYASRJH-UHFFFAOYSA-N 424.522 4.551 70 40 HJIB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N[C@@H](C)c2cc(C)ccc2C)cc1 218413663 MQGINHQAASIPQM-IBGZPJMESA-N 422.550 4.904 70 40 HJIB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N[C@H](C)c2cc(C)ccc2C)cc1 218413734 MQGINHQAASIPQM-LJQANCHMSA-N 422.550 4.904 70 40 HJIB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccccc1I 218217530 VEYGQLMKOJVZSA-MRXNPFEDSA-N 421.278 4.632 70 40 HJIB Cc1ccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3cc(C)c(Cl)c(C)c3)n2)cc1 218717934 HLYHDJBPCQDPAO-INIZCTEOSA-N 413.905 4.741 70 40 HJIB COc1ccc(CN(C)C(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 218077976 UENFPQQRFRSLHU-UHFFFAOYSA-N 400.522 4.526 70 40 HJIB Cc1ccc(C)c([C@@H](C)NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)c1 218409964 COTIJULQHHNTNN-GOSISDBHSA-N 408.523 4.595 70 40 HJIB Cc1ccc([C@H](C)NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1C 218304393 DXZXTYRFKJBPDH-IBGZPJMESA-N 422.550 4.620 70 40 HJIB Cc1cc(O[C@@H](C)C(=O)NCc2nc(-c3ccccc3Cl)no2)cc(C)c1Cl 218717462 HQECQFPLGCQMGE-ZDUSSCGKSA-N 420.296 4.744 70 40 HJIB O=C(CC(c1ccccc1)c1ccccc1)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1 217662927 VZAQWNXNDYFKEK-XMMPIXPASA-N 422.532 4.941 70 40 HJIB COc1ccc2c(c1)[C@@H](NC(=O)COc1ccc(Cl)cc1Cl)CC(C)(C)O2 217837107 LSWZQTVMIPBORQ-INIZCTEOSA-N 410.297 4.799 70 40 HJIB Cc1nc(-c2ccccc2NS(=O)(=O)c2ccccc2OC(F)(F)F)cs1 218667571 PJSYLWGRVOHRDE-UHFFFAOYSA-N 414.430 4.818 70 40 HJIB COc1ccc(CN2CCO[C@@H]2c2ccn(-c3ccc(Br)cc3)c2)cc1 216743922 KSQCRSUFVWQEPK-OAQYLSRUSA-N 413.315 4.779 70 40 HJIB CC[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccc(C)c(C)c1 218573974 VGDNYIVBHTXODM-HSZRJFAPSA-N 422.550 4.985 70 40 HJIB Cn1nc(CN(C(=O)c2ccc(OC(F)(F)F)cc2)C2CCCC2)cc1C1CC1 217900370 VLGUDVRWIDEWIQ-UHFFFAOYSA-N 407.436 4.781 70 40 HJIB Cc1ccc(OC[C@@H](C)NC(=O)CSCc2ccc(Br)cc2)cc1 218197367 HOEXAVGYUFPZAB-OAHLLOKOSA-N 408.361 4.574 70 40 HJIB O=C(NCc1nc(-c2ccccc2)no1)c1ccc(CSc2ccccc2)cc1 218002328 VACXKRMZZMJWAD-UHFFFAOYSA-N 401.491 4.959 70 40 HJIB CN1CCC(CC(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)CC1 216902479 SJKCVAKTNWKIMD-UHFFFAOYSA-N 407.558 4.907 70 40 HJIB CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 218672233 ZCMYZUWCGCRDQC-HNNXBMFYSA-N 413.543 4.912 70 40 HJIB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 216945690 TXNQSJIVOJLXHL-GOSISDBHSA-N 410.558 4.863 70 40 HJIB CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)CSc1ccc(Cl)cc1 217984845 LQAVXVGWBJWQHN-UHFFFAOYSA-N 408.310 4.794 70 40 HJIB Cc1ccc(-c2noc(CNC(=O)CSCc3c(Cl)cccc3Cl)n2)cc1 218156999 CDMLVELMIVSXLB-UHFFFAOYSA-N 422.337 4.901 70 40 HJIB C[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 216928144 LUEMXGUJBICPGU-INIZCTEOSA-N 418.990 4.610 70 40 HJIB C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 216928085 PBVZTILVDMNHMB-HNNXBMFYSA-N 404.963 4.932 70 40 HJIB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(I)cc1 218214023 FHUXMXBECOYZOH-MRXNPFEDSA-N 421.278 4.632 70 40 HJIB Cc1ccc([C@@H](C)NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1C 218573757 OIXVUFRKJUEXLT-GOSISDBHSA-N 408.523 4.595 70 40 HJIB CCOc1ccc(CCCNC(=O)CSCc2ccc(Br)cc2)cc1 218196820 GEGPDCVCFMDLME-UHFFFAOYSA-N 422.388 4.830 70 40 HJIB Cc1cccc(-c2noc(CN(C)C(=O)CSCc3cccc(Cl)c3)n2)c1 218039979 WGEQSLLPVHPMEL-UHFFFAOYSA-N 401.919 4.590 70 40 HJIB O=C(CSCc1ccccc1Cl)NCc1nc(-c2ccc(Cl)cc2)no1 218032890 ZLXMMNOOLWGQNV-UHFFFAOYSA-N 408.310 4.593 70 40 HJIB CC[C@@H](NC(=O)c1cc2c(ccc3ccccc32)o1)c1ccc(S(C)(=O)=O)cc1 218500554 ZRBPHBOSGZLHOH-HXUWFJFHSA-N 407.491 4.871 70 40 HJIB Cc1ccc(-c2noc(CN(C)C(=O)CSCc3ccccc3Cl)n2)cc1 218033326 HDOQXHAZSUAGFL-UHFFFAOYSA-N 401.919 4.590 70 40 HJIB Cc1cc(O[C@@H](C)C(=O)NCCCN2CCCc3ccccc32)cc(C)c1Cl 218719358 JBMRDTHOXUQWDP-SFHVURJKSA-N 400.950 4.683 70 40 HJIB COC(=O)c1sc(C(F)(F)F)c(-c2ccc(Cl)cc2)c1S(=O)(=O)Cl 100223648 REWOTBMXNIBVSC-UHFFFAOYSA-N 419.229 4.801 70 40 HJIB CCOc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1S(=O)(=O)Cl 95698214 OQGOSILMITWSMZ-UHFFFAOYSA-N 408.690 4.572 70 40 HJIB CC[C@@H](NC(=O)CCc1ccc(C(C)(C)C)cc1)c1ccc(S(C)(=O)=O)cc1 218542291 CUUJFMOENDRPBX-OAQYLSRUSA-N 401.572 4.588 70 40 HJIB COc1ccc(CNC(=O)c2ccc(CSc3ccccc3)cc2)c(OC)c1OC 217997133 BCWBZRFLHHNJOM-UHFFFAOYSA-N 423.534 4.935 70 40 HJIB Cc1ccc2c(c1)[C@@H](NC(=O)CN1C(=O)c3cccc4cccc1c34)CC(C)(C)O2 218318582 QWEFBYMIKUBRLW-IBGZPJMESA-N 400.478 4.527 70 40 HJIB CCOc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1S(=O)(=O)Cl 95698213 SOJROKXINUQRTN-UHFFFAOYSA-N 408.690 4.572 70 40 HJIB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 216928124 LUEMXGUJBICPGU-MRXNPFEDSA-N 418.990 4.610 70 40 HJIB COc1ccc(C(=O)Nc2ccccc2-c2csc(-c3ccccc3F)n2)nn1 217652407 ZNBYPOFTVPMZIC-UHFFFAOYSA-N 406.442 4.667 70 40 HJIB O=C(CSCc1c(Cl)cccc1Cl)NCc1nc(-c2ccccc2)no1 218156872 ZVYYTPFHINTJMK-UHFFFAOYSA-N 408.310 4.593 70 40 HJIB Cc1ccc([C@H](C)NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1C 218573842 OIXVUFRKJUEXLT-SFHVURJKSA-N 408.523 4.595 70 40 HJIB CC[C@H](NC(=O)c1cc2c(ccc3ccccc32)o1)c1ccc(S(C)(=O)=O)cc1 218500635 ZRBPHBOSGZLHOH-FQEVSTJZSA-N 407.491 4.871 70 40 HJIB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 217028970 RCIMLSVWBMGJMH-HXUWFJFHSA-N 403.979 4.601 70 40 HJIB Cc1noc(-c2c(NC(=O)C3(c4cccs4)CCCC3)sc3c2CCOC3)n1 217964940 LSJXTHBQXDHUQV-UHFFFAOYSA-N 415.540 4.691 70 40 HJIB CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)c1ccc(CN2CCCCC2)cc1 218613630 AIOZTGWXJVXKBI-UHFFFAOYSA-N 424.932 4.648 70 40 HJIB O=C(CSCc1c(Cl)cccc1Cl)NCc1nc(-c2cccs2)no1 218157382 OJABCTUNIXYUIJ-UHFFFAOYSA-N 414.339 4.655 70 40 HJIB CCN(Cc1nc(-c2cccs2)no1)C(=O)/C(=C/c1ccco1)c1ccccc1 218108534 WGTPYHJFVKCSHW-NBVRZTHBSA-N 405.479 4.980 70 40 HJIB O=C(CSCc1ccc(Cl)cc1)NCc1nc(-c2ccccc2Cl)no1 218045981 DGHDOFUARFLUOP-UHFFFAOYSA-N 408.310 4.593 70 40 HJIB COc1ccc(OC[C@@H](C)NC(=O)CSCc2c(Cl)cccc2Cl)cc1 218153650 NRGNGPOVMZWWSC-CYBMUJFWSA-N 414.354 4.819 70 40 HJIB C[C@H](SCc1ccccc1)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 218075468 BALOBCDEVUXEJT-AWEZNQCLSA-N 401.919 4.670 70 40 HJIB CN1CCC(Oc2ccc(CNC(=O)CCSc3ccc(Cl)cc3)cc2)CC1 216929559 UIWQBUQYBAMTPG-UHFFFAOYSA-N 418.990 4.612 70 40 HJIB CCOC(=O)c1[nH]c2ccccc2c1NC(=O)[C@@]12C[C@@H]3C[C@@H](C[C@@](Cl)(C3)C1)C2 217953971 HHCOPXVNGAMPHL-ZYKUOIRYSA-N 400.906 4.861 70 40 HJIB COc1cccc(-c2noc(CN(C)C(=O)/C(=C/c3ccco3)c3ccccc3)n2)c1 218107885 IVIXLSVEKNDTKA-RCCKNPSSSA-N 415.449 4.537 70 40 HJIB Cc1ccc(OC[C@H](C)NC(=O)CSCc2ccc(Br)cc2)cc1 218197437 HOEXAVGYUFPZAB-HNNXBMFYSA-N 408.361 4.574 70 40 HJIB Cc1ccc(S[C@@H](C)C(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1 218145644 RWHRXKBPIWDBTP-AWEZNQCLSA-N 401.919 4.838 70 40 HJIB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CSCc1ccc(Cl)cc1 218046780 VSRICIYDEFSNTK-UHFFFAOYSA-N 422.337 4.935 70 40 HJIB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@@H](C)c3cc(C)ccc3C)c2)cc1 218575021 VFELWSOKAPDDTE-IBGZPJMESA-N 422.550 4.904 70 40 HJIB CC(C)(C)c1ccc(C(=O)NCc2nc(-c3cccc(Br)c3)no2)cc1 217860604 IKQGFBRBHVYXIF-UHFFFAOYSA-N 414.303 4.727 70 40 HJIB Cc1ccc(C)c([C@@H](C)NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)c1 218346902 MXJAFJRRBIFIOT-LJQANCHMSA-N 422.550 4.620 70 40 HJIB CN1CCC(Oc2ccc(NC(=O)c3cccc(OCc4ccccc4)c3)cc2)CC1 217012820 JTXKQLGZXDJCHP-UHFFFAOYSA-N 416.521 4.991 70 40 HJIB Cc1cc(O[C@@H](C)C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc(C)c1Cl 216946349 HSPBFBAEVHHEGA-KRWDZBQOSA-N 416.949 4.836 70 40 HJIB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 217029002 RCIMLSVWBMGJMH-FQEVSTJZSA-N 403.979 4.601 70 40 HJIB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1 218415144 HKBGREOWHAHUFT-LJQANCHMSA-N 422.550 4.904 70 40 HJIB Cc1ccc([C@@H](C)NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)cc1C 218592628 PXYWUILVSNPNEF-LJQANCHMSA-N 422.550 4.904 70 40 HJIB O=C1CS[C@H](c2ccn(-c3cccc(Br)c3)c2)N1Cc1ccco1 216676494 JBISSCBVDPJEAJ-GOSISDBHSA-N 403.301 4.607 70 40 HJIB COP(=O)(OC)C1(O)[C@@H]2CCC[C@@H]1[C@H](c1ccccc1)N[C@H]2c1ccccc1 217436950 FVURVDZRDOAWTJ-CGXNFDGLSA-N 401.443 4.663 70 40 HJIB C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 216928063 PBVZTILVDMNHMB-OAHLLOKOSA-N 404.963 4.932 70 40 HJIB COc1ccc(CSCC(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1 218111813 ZUFFDETVZPNAKQ-UHFFFAOYSA-N 412.555 4.630 70 40 HJIB COc1ccc2c(c1)[C@H](NC(=O)COc1ccc(Cl)cc1Cl)CC(C)(C)O2 217837170 LSWZQTVMIPBORQ-MRXNPFEDSA-N 410.297 4.799 70 40 HJIB CCN(Cc1nc(-c2cccs2)no1)C(=O)CCCOc1ccc(Cl)cc1 218739224 ZXGROQJJFGKZEK-UHFFFAOYSA-N 405.907 4.659 70 40 HJIB COc1cccc(-c2noc(CN(C)C(=O)CCc3ccc(C(C)(C)C)cc3)n2)c1 218543580 DYZKLWHYDDKETC-UHFFFAOYSA-N 407.514 4.634 70 40 HJIB CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccc(C)c(C)c1 218407101 VDBDHNIFCPCGGM-HSZRJFAPSA-N 422.550 4.985 70 40 HJIB Cc1cccc(-c2noc(CN(C)C(=O)CSCc3ccc(Cl)cc3)n2)c1 218046290 MECKZZCCACRHGY-UHFFFAOYSA-N 401.919 4.590 70 40 HJIB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@H](C)c3ccc(C)c(C)c3)c2)cc1 218576171 WFDSGPVSZXCGJU-LJQANCHMSA-N 422.550 4.904 70 40 HJIB Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)c3ccc(Cl)s3)C2)n1 217830580 WIIPKGDYSKFNFQ-AWEZNQCLSA-N 401.919 4.855 70 40 HJIB CC[C@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccc(C)cc1C 218574194 HQYZUXCXHYYYAB-QHCPKHFHSA-N 422.550 4.985 70 40 HJIB Cc1ccc(-c2noc(CN(C)C(=O)CSCc3ccc(Cl)cc3)n2)cc1 218046366 XHWGXNZOPHYPCG-UHFFFAOYSA-N 401.919 4.590 70 40 HJIB CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)CSCc1ccc(Cl)cc1 218046674 GCIAJPZYOZFXGV-UHFFFAOYSA-N 422.337 4.935 70 40 HJIB Cl[Si]1(Cl)Oc2ccccc2O[Si](Cl)(Cl)Oc2ccccc2O1 195525340 BYFUAXVVABEMTE-UHFFFAOYSA-N 414.176 4.742 70 40 HJIB Cc1cc(Cl)ccc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1 218515457 IMPZFRLAZZRFEB-UHFFFAOYSA-N 420.962 4.774 70 40 HJIB O=C(CSCc1c(F)cccc1Cl)NCCCN1CCCc2ccccc21 218206451 GFSAHWXTIMRJAU-UHFFFAOYSA-N 406.954 4.671 70 40 HJIB CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccc(C)cc1C 218407356 DGBTVZIVQYEZDN-QHCPKHFHSA-N 422.550 4.985 70 40 HJIB O=C1CS[C@H](c2ccn(-c3ccc(Br)cc3)c2)N1Cc1ccco1 216676711 SSOXZPGEOJODFX-GOSISDBHSA-N 403.301 4.607 70 40 HJIB Cc1ccc([C@H](C)NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)cc1C 218412007 SENJBYTWOQGLAY-SFHVURJKSA-N 408.523 4.595 70 40 HJIB Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(I)cc1)CC(C)(C)O2 218213773 UVHVHIICSGYHLV-INIZCTEOSA-N 421.278 4.632 70 40 HJIB O=C(NC[C@@H]1CCCN(c2nccs2)C1)c1cccc(Oc2ccc(F)cc2)c1 218142280 SYFUABNSSUXSDA-INIZCTEOSA-N 411.502 4.721 70 40 HJIB O=C(NCCSCc1c(F)cccc1Cl)c1ccccc1Br 218220647 JVASZUYLBZLORW-UHFFFAOYSA-N 402.716 4.905 70 40 HJIB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CSc1ccc(Cl)cc1 217984955 PEGSEVWCQCLLEC-UHFFFAOYSA-N 408.310 4.794 70 40 HJIB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1nc(-c2ccccc2Cl)no1 217994828 MPFBJKHKFHCAOK-LLVKDONJSA-N 408.310 4.840 70 40 HJIB Cc1ccc(-c2noc(CN(C)C(=O)[C@@H](C)Sc3ccc(Cl)cc3)n2)cc1 217995204 FXOIHODJRITMAN-CQSZACIVSA-N 401.919 4.838 70 40 HJIB CC(C)(Oc1ccc(Cl)cc1)C(=O)NC[C@@](C)(O)c1cc2ccccc2s1 217505389 IEFPKIXZCZANRE-OAQYLSRUSA-N 403.931 4.736 70 40 HJIB CC(C)c1ccc(CCCNC(=O)c2ccccc2I)cc1 218219166 QWABXANXHVMCSX-UHFFFAOYSA-N 407.295 4.777 70 40 HJIB COc1cccc(-c2noc(CN(C)C(=O)[C@H](C)Sc3ccc(Cl)cc3)n2)c1 217995475 GHUUUWJXCSVHPO-ZDUSSCGKSA-N 417.918 4.538 70 40 HJIB O=C1CS[C@@H](c2ccn(-c3ccc(Br)cc3)c2)N1Cc1ccco1 216676662 SSOXZPGEOJODFX-SFHVURJKSA-N 403.301 4.607 70 40 HJIB CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)CSCc1ccccc1Cl 218033628 QCGOEZSGLPOBOP-UHFFFAOYSA-N 422.337 4.935 70 40 HJIB Cc1cccc(-c2noc(CN(C)C(=O)CCSc3ccc(Cl)cc3)n2)c1 218091425 QUKATOQCVVSBDE-UHFFFAOYSA-N 401.919 4.839 70 40 HJIB CC[C@@H](NC(=O)c1ccccc1NS(=O)(=O)c1ccccc1)c1ccc(C)cc1C 218412281 BBNLNLHCKSISNQ-JOCHJYFZSA-N 422.550 4.985 70 40 HJIB O=C1CS[C@H](c2ccn(-c3ccccc3Br)c2)N1Cc1ccco1 216677596 DPXWIXSGJSCWHC-GOSISDBHSA-N 403.301 4.607 70 40 HJIB CC[C@H](NC(=O)CCc1ccc(C(C)(C)C)cc1)c1ccc(S(C)(=O)=O)cc1 218542375 CUUJFMOENDRPBX-NRFANRHFSA-N 401.572 4.588 70 40 HJIB O=C(NCCn1nc(-c2ccsc2)cc1C1CC1)c1ccccc1C(F)(F)F 217877378 AJLVDTTZICAITL-UHFFFAOYSA-N 405.445 4.938 70 40 HJIB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccccc1I 218217460 VEYGQLMKOJVZSA-INIZCTEOSA-N 421.278 4.632 70 40 HJIB O=C(CCSc1ccc(Cl)cc1)NCc1nc(-c2ccc(Cl)cc2)no1 218091096 RBCPYACXJDFXJO-UHFFFAOYSA-N 408.310 4.842 70 40 HJIB C[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1nc(-c2ccccc2Cl)no1 217994904 MPFBJKHKFHCAOK-NSHDSACASA-N 408.310 4.840 70 40 HJIB Cc1ccc(C)c([C@@H](C)NC(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)c1 218651591 TWARKCOGQZNNLX-GOSISDBHSA-N 422.550 4.623 70 40 HJIB CN1CCC(Oc2ccc(CNC(=O)/C=C/c3ccc(Cl)cc3Cl)cc2)CC1 216926718 QLKYHGKPRMWVKS-WEVVVXLNSA-N 419.352 4.796 70 40 HJIB O=C1CS[C@@H](c2ccn(-c3cccc(Br)c3)c2)N1Cc1ccco1 216676451 JBISSCBVDPJEAJ-SFHVURJKSA-N 403.301 4.607 70 40 HJIB CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@H](C)Sc1ccc(Cl)cc1 217996236 HBUFKYXKXGGCSB-LBPRGKRZSA-N 407.948 4.981 70 40 HJIB COc1cccc(-c2noc(CN(C)C(=O)[C@@H](C)Sc3ccc(Cl)cc3)n2)c1 217995402 GHUUUWJXCSVHPO-CYBMUJFWSA-N 417.918 4.538 70 40 HJIB Cc1ccc([C@H](C)NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)cc1C 218592700 PXYWUILVSNPNEF-IBGZPJMESA-N 422.550 4.904 70 40 HJIB COc1cccc(-c2noc(CN(C)C(=O)/C=C/c3ccc(Cl)cc3Cl)n2)c1 217909537 GRSSXMKKMGLSBJ-VQHVLOKHSA-N 418.280 4.724 70 40 HJIB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 218670913 HCPPHCYICRRAJX-AWEZNQCLSA-N 413.905 4.771 70 40 HJIB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H](C)c3ccc(C)c(C)c3)cc2)cc1 218408905 BIXVMPFAVGHAGR-IBGZPJMESA-N 422.550 4.904 70 40 HJIB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](C)c3ccc(C)c(C)c3)cc2)cc1 218408987 BIXVMPFAVGHAGR-LJQANCHMSA-N 422.550 4.904 70 40 HJIB O=C1CS[C@@H](c2ccn(-c3ccccc3Br)c2)N1Cc1ccco1 216677551 DPXWIXSGJSCWHC-SFHVURJKSA-N 403.301 4.607 70 40 HJIB CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@@H](C)Sc1ccc(Cl)cc1 217996140 HBUFKYXKXGGCSB-GFCCVEGCSA-N 407.948 4.981 70 40 HJIB Cc1ccc([C@H](C)NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2C)cc1C 218584858 DYKNKZOINRPZNT-IBGZPJMESA-N 422.550 4.904 70 40 HJIB Cc1ccc(-c2noc(CN(C)C(=O)[C@H](C)Sc3ccc(Cl)cc3)n2)cc1 217995295 FXOIHODJRITMAN-AWEZNQCLSA-N 401.919 4.838 70 40 HJIB O=C(CC(c1ccccc1)c1ccccc1)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1 217663003 VZAQWNXNDYFKEK-DEOSSOPVSA-N 422.532 4.941 70 40 HJIB Cc1ccc(CSCC(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1 218026503 WUSOWNZCLAOYGQ-UHFFFAOYSA-N 401.919 4.590 70 40 HJIB COc1ccccc1NC(=O)N1CCS[C@@H]1c1ccc(F)c(Br)c1 217645295 TZDHZDLQNGRGID-MRXNPFEDSA-N 411.296 4.876 70 40 HJIB CN1CCC(Oc2ccc(CNC(=O)/C=C/c3ccc(C(C)(C)C)cc3)cc2)CC1 216927516 QUTOXWBLVBWCJV-NTEUORMPSA-N 406.570 4.787 70 40 HJIB O=C(Nc1cnn(CC2CCOCC2)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 218211862 YGCXRDCNRZUONK-UHFFFAOYSA-N 421.341 4.600 70 40 HJIB Cn1nc(CN(Cc2ccco2)C(=O)C2(c3cccs3)CCCC2)c2c1CCC2 217905030 KWLNXAZXEKPAJV-UHFFFAOYSA-N 409.555 4.604 70 40 HJIB Cc1ccc([C@@H](C)NC(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)cc1C 218653000 PPHWWZGADOVPSQ-GOSISDBHSA-N 422.550 4.623 70 40 HJIB O=C(c1nc2ccccc2s1)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1 217798179 HEOAVBFCRGXFRV-AWEZNQCLSA-N 422.485 4.580 70 40 HJIB COc1ccc2c(c1)[C@@H](NC(=O)CCCOc1ccc(Cl)cc1)CC(C)(C)O2 218737320 CDEYYWPNRAWNJQ-IBGZPJMESA-N 403.906 4.926 70 40 HJIB COc1ccc(CSCC(=O)NCCSCc2c(F)cccc2Cl)cc1 218111189 ITRKGPPCASAGPX-UHFFFAOYSA-N 413.967 4.771 70 40 HJIB Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O 218470791 UCABOYBCTHBMQP-OAHLLOKOSA-N 408.951 4.565 70 40 HJIB Cc1ccc(C)c([C@H](C)NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)c1 218410041 COTIJULQHHNTNN-SFHVURJKSA-N 408.523 4.595 70 40 HJIB CN1CCC(Oc2ccc(NC(=O)CSCc3ccc(Cl)cc3)cc2)CC1 216929012 OMMMIKBKHUTULQ-UHFFFAOYSA-N 404.963 4.685 70 40 HJIB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CCCOc1ccc(Cl)cc1 218737446 HUWZXIFGKINRIV-IBGZPJMESA-N 403.906 4.926 70 40 HJIB CN(Cc1nc(-c2ccccc2)no1)C(=O)CSCc1c(Cl)cccc1Cl 218157468 RCCOTMSJBFAJDO-UHFFFAOYSA-N 422.337 4.935 70 40 HJIB O=C(N1CC[C@H](n2cc(-c3ccccc3)nn2)C1)C1(c2ccc(Cl)cc2)CCCC1 217657607 MKVFUPYCLSEWFC-NRFANRHFSA-N 420.944 4.884 70 40 HJIB Cc1ccc(C(=O)Nc2ccccc2C(C)C)cc1S(=O)(=O)N1CCCCCC1 218516081 ZFDVMWNKQPCRKY-UHFFFAOYSA-N 414.571 4.935 70 40 HJIB Cn1nc(CN(Cc2ccco2)C(=O)c2cccc(C(F)(F)F)c2)cc1C1CC1 217894603 KBKOGIOXJBBEMV-UHFFFAOYSA-N 403.404 4.752 70 40 HJIB O=C(CCCOc1ccc(Cl)cc1)NCc1nc(-c2ccccc2Cl)no1 218738612 HYZSIXSDDDAMKU-UHFFFAOYSA-N 406.269 4.519 70 40 HJIB C=C1c2cc(OC)c(OC)cc2CCN1C(=O)[C@@]12C[C@@H]3C[C@@H](C[C@](Cl)(C3)C1)C2 217560935 TZSDXMFLPZMOMW-JKKXWYKRSA-N 401.934 4.637 70 40 HJIB O=C(CN1C(=O)c2cccc3cccc1c23)Nc1ccccc1C(=O)c1ccccc1 218316842 YDSBQMNZBACJSL-UHFFFAOYSA-N 406.441 4.670 70 40 HJIB Cc1ccc(S[C@@H](C)C(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1 218145775 VOIZRLLCHRYCEE-AWEZNQCLSA-N 401.919 4.838 70 40 HJIB COc1ccc(-c2noc(CN(C)C(=O)c3cc4c(ccc5ccccc54)o3)n2)cc1 218502080 QQQONEKIJKAOLL-UHFFFAOYSA-N 413.433 4.917 70 40 HJIB O=C(NCCC1=CCCCC1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 218527211 CHIGTANVXVCFTK-UHFFFAOYSA-N 424.994 4.525 70 40 HJIB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CSCc1ccccc1Cl 218033760 KTGXTEXILJVUDU-UHFFFAOYSA-N 422.337 4.935 70 40 HJIB Cc1ccc(S[C@H](C)C(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1 218145846 VOIZRLLCHRYCEE-CQSZACIVSA-N 401.919 4.838 70 40 HJIB O=C(CSCc1cccc(Cl)c1)NCc1nc(-c2ccccc2Cl)no1 218039635 AJMJYMDQNLBXEG-UHFFFAOYSA-N 408.310 4.593 70 40 HJIB COc1ccc(-c2noc(CN(C)C(=O)/C(=C/c3ccco3)c3ccccc3)n2)cc1 218108013 BPXIQDLHTSHVMU-RCCKNPSSSA-N 415.449 4.537 70 40 HJIB Cc1ccccc1OC[C@@H](C)NC(=O)CSCc1ccc(Br)cc1 218197162 RXDQJECCKRNZRB-OAHLLOKOSA-N 408.361 4.574 70 40 HJIB Cc1cccc(C)c1N(CC(=O)Nc1ccccc1Oc1ccccc1)S(C)(=O)=O 218271933 YWXIFEDBNMXJDK-UHFFFAOYSA-N 424.522 4.500 70 40 HJIB CC[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1Cl)c1ccc(S(C)(=O)=O)cc1 217908589 HDAVVZWZITUYEU-JGZYNSJSSA-N 412.338 4.678 70 40 HJIB COc1cccc(-c2noc(CN(C)C(=O)/C=C/c3ccc(C(C)(C)C)cc3)n2)c1 217955744 OSSJLUVITFROOM-SDNWHVSQSA-N 405.498 4.715 70 40 HJIB CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 218672160 ZCMYZUWCGCRDQC-OAHLLOKOSA-N 413.543 4.912 70 40 HJIB CN1CCC(Oc2ccc(NC(=O)/C(=C/c3ccco3)c3ccccc3)cc2)CC1 218109101 FZQZHWYWFLEXRA-HKOYGPOVSA-N 402.494 4.932 70 40 HJIB Cc1ccc([C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(C)c2)cc1C 218602693 JKESILWPSRBJRP-LJQANCHMSA-N 422.550 4.904 70 40 HJIB CC(C)c1ccc(CCCNC(=O)c2ccc(I)cc2)cc1 218216062 FVWOIFBAGVDAPJ-UHFFFAOYSA-N 407.295 4.777 70 40 HJIB O=Cc1ccc(N2N=C(c3ccc(S(=O)(=O)F)cc3)C[C@@H]2c2ccccc2)cc1 100511340 KXUCRMKPYFPNIU-JOCHJYFZSA-N 408.454 4.513 70 40 HJIB Cc1ccc(-c2noc(CN(C)C(=O)CSCc3cccc(Cl)c3)n2)cc1 218040076 UUCMXKJANUDEEK-UHFFFAOYSA-N 401.919 4.590 70 40 HJIB Cc1ccc(N2C[C@@H](C(=O)N3CCCC[C@@H](c4ccc(F)cc4)C3)CC2=O)cc1C 217493820 FSOYBCLDPMCHSA-RTWAWAEBSA-N 408.517 4.592 70 40 HJIB C[C@@H](SCc1ccccc1)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 218075375 BALOBCDEVUXEJT-CQSZACIVSA-N 401.919 4.670 70 40 HJIB Cn1nc(CN(C(=O)COc2ccc(Cl)cc2Cl)C2CCCC2)c2c1CCC2 217909110 VDSISMZOJDTPHT-UHFFFAOYSA-N 422.356 4.566 70 40 HJIB CC[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccc(C)cc1C 218574133 HQYZUXCXHYYYAB-HSZRJFAPSA-N 422.550 4.985 70 40 HJIB CCN(Cc1nc(-c2cccs2)no1)C(=O)CSCc1ccc(Cl)cc1 218046997 WOBVUSNJFVTUTI-UHFFFAOYSA-N 407.948 4.733 70 40 HJIB O=Cc1ccc(N2N=C(c3ccc(S(=O)(=O)F)cc3)C[C@H]2c2ccccc2)cc1 100511337 KXUCRMKPYFPNIU-QFIPXVFZSA-N 408.454 4.513 70 40 HJIB COc1ccc(-c2noc(CN(C)C(=O)/C=C/c3ccc(Cl)cc3Cl)n2)cc1 217909643 KQKDAVZXEXLOBI-UXBLZVDNSA-N 418.280 4.724 70 40 HJIB CC[C@H](NC(=O)CSCc1c(F)cccc1Cl)c1ccc(OC)c(OC)c1 218204703 DVLKJIPUMHBCKJ-KRWDZBQOSA-N 411.926 4.997 70 40 HJIB O=C(CSCc1ccc(Cl)cc1)NCc1nc(-c2ccc(Cl)cc2)no1 218046080 VIJKPRQRURESLY-UHFFFAOYSA-N 408.310 4.593 70 40 HJIB C=C1c2cc(OC)c(OC)cc2CCN1C(=O)[C@]12C[C@@H]3C[C@@H](C[C@@](Cl)(C3)C1)C2 217560841 TZSDXMFLPZMOMW-ZZUOSWHZSA-N 401.934 4.637 70 40 HJIB CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccc(C)cc1C 218407282 DGBTVZIVQYEZDN-HSZRJFAPSA-N 422.550 4.985 70 40 HJIB COc1cc(CNC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)ccc1OC(C)C 218708928 KKUYBJZWIXRIDB-MRXNPFEDSA-N 405.922 4.836 70 40 HJIB CC[C@H](NC(=O)/C=C/c1ccc(Cl)cc1Cl)c1ccc(S(C)(=O)=O)cc1 217908658 HDAVVZWZITUYEU-DBEXCURXSA-N 412.338 4.678 70 40 HJIB CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)CSCc1cccc(Cl)c1 218040539 JPAPVWYNONSRLT-UHFFFAOYSA-N 422.337 4.935 70 40 HJIB Cc1ccc(-c2noc(CN(C)C(=O)CSCc3c(F)cccc3Cl)n2)cc1 218205475 LOBQYWJDEWTAJU-UHFFFAOYSA-N 419.909 4.729 70 40 HJIB O=C(CSc1ccc(F)cc1)NCCn1nc(-c2ccsc2)cc1C1CC1 217878675 UHJWHYBXLHPEEQ-UHFFFAOYSA-N 401.532 4.537 70 40 HJIB Cn1nc(CN(Cc2ccco2)C(=O)C2(c3cccs3)CCCC2)cc1C1CC1 217896200 DDNJRPVFRMHKBE-UHFFFAOYSA-N 409.555 4.993 70 40 HJIB CCN(Cc1nc(-c2cccs2)no1)C(=O)CCSc1ccc(Cl)cc1 218092135 NNTSWSTWVVEGSD-UHFFFAOYSA-N 407.948 4.982 70 40 HJIB COC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@@]12C[C@@H]3C[C@@H](C[C@@](Cl)(C3)C1)C2 217630213 LUVGDQLCCMZRFO-CVJJIFMNSA-N 404.869 4.610 70 40 HJIB Cc1ccc([C@@H](C)NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)cc1C 218348286 PQEQBRBFWIZGRY-LJQANCHMSA-N 422.550 4.620 70 40 HJIB COc1ccc2c(c1)[C@H](NC(=O)CCCOc1ccc(Cl)cc1)CC(C)(C)O2 218737374 CDEYYWPNRAWNJQ-LJQANCHMSA-N 403.906 4.926 70 40 HJIB C[C@](O)(CNC(=O)COc1ccc(Cl)cc1Cl)c1cc2ccccc2s1 217505589 DKRIYSUZYGHHGW-IBGZPJMESA-N 410.322 4.611 70 40 HJIB Cc1ccc(C)c([C@@H](C)NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2C)c1 218583511 DXWAKXYGZHKQOV-LJQANCHMSA-N 422.550 4.904 70 40 HJIB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(I)cc1 218213951 FHUXMXBECOYZOH-INIZCTEOSA-N 421.278 4.632 70 40 HJIB COc1ccc(CN2CCO[C@H]2c2ccn(-c3ccccc3Br)c2)cc1 216744859 WFRNYGCFSDQGGW-NRFANRHFSA-N 413.315 4.779 70 40 HJIB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CCCOc1ccc(Cl)cc1 218737511 HUWZXIFGKINRIV-LJQANCHMSA-N 403.906 4.926 70 40 HJIB O=C(OC[C@@H]1CCCN2CCCC[C@H]12)[C@@]12C[C@@H]3C[C@@H](C[C@@](Br)(C3)C1)C2 217484371 FOMDFGUQTIWHEP-VQHSRYPXSA-N 410.396 4.528 70 40 HJIB CC[C@@H](NC(=O)CSCc1c(F)cccc1Cl)c1ccc(OC)c(OC)c1 218204627 DVLKJIPUMHBCKJ-QGZVFWFLSA-N 411.926 4.997 70 40 HJIB Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)c1 218591476 PHJWYQZWXULXDT-LJQANCHMSA-N 422.550 4.904 70 40 HJIB Cn1cc(CCC(=O)N2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@@H]45)[C@@H]32)c2ccccc21 218081410 VSQLAKXXNNBBMF-FVBVUHMPSA-N 417.597 4.533 70 40 HJIB Cc1ccc([C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1C 218406939 GYQBXKKJRBBTLY-GOSISDBHSA-N 408.523 4.595 70 40 HJIB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 217025898 WVZWXBBOLXWWQK-HXUWFJFHSA-N 402.922 4.609 70 40 HJIB CN1CCC(Oc2ccc(NC(=O)CSCc3ccccc3Cl)cc2)CC1 216928825 IVXZDFUMTNMNNS-UHFFFAOYSA-N 404.963 4.685 70 40 HJIB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)COc1ccc(Cl)cc1Cl 217837360 CIYQRPAOXXVPJC-MRXNPFEDSA-N 410.297 4.799 70 40 HJIB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@@H](C)c3ccc(C)c(C)c3)c2)cc1 218576093 WFDSGPVSZXCGJU-IBGZPJMESA-N 422.550 4.904 70 40 HJIB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 217026351 HEWXRRSCTGXRDA-NRFANRHFSA-N 402.922 4.609 70 40 HJIB Cc1cc(O[C@H](C)C(=O)NCCCN2CCCc3ccccc32)cc(C)c1Cl 218719443 JBMRDTHOXUQWDP-GOSISDBHSA-N 400.950 4.683 70 40 HJIB CCOc1ccc(NCc2cc(Br)c(O)c(Br)c2)cc1 218696908 CJGXIKBHHZVJHP-UHFFFAOYSA-N 401.098 4.928 70 40 HJIB Cc1ccc(N2C[C@@H](C(=O)N3CCCC[C@H](c4ccc(F)cc4)C3)CC2=O)cc1C 217493672 FSOYBCLDPMCHSA-SFTDATJTSA-N 408.517 4.592 70 40 HJIB Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)c1 218591537 PHJWYQZWXULXDT-IBGZPJMESA-N 422.550 4.904 70 40 HJIB O=C(NCCn1ccc(-c2ccsc2)n1)NC(c1ccccc1)c1ccccc1 217891075 TTYOLUNKFZNFED-UHFFFAOYSA-N 402.523 4.700 70 40 HJIB Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O 218470853 UCABOYBCTHBMQP-HNNXBMFYSA-N 408.951 4.565 70 40 HJIB COc1ccc(CN2CCO[C@@H]2c2ccn(-c3cccc(Br)c3)c2)cc1 216743705 NCCOGAQKWVPBBN-OAQYLSRUSA-N 413.315 4.779 70 40 HJIB Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)c3ccc(Cl)s3)C2)n1 217830648 WIIPKGDYSKFNFQ-CQSZACIVSA-N 401.919 4.855 70 40 HJIB CC[C@H](NC(=O)c1ccccc1NS(=O)(=O)c1ccccc1)c1ccc(C)cc1C 218412347 BBNLNLHCKSISNQ-QFIPXVFZSA-N 422.550 4.985 70 40 HJIB COc1cccc(-c2noc(CN(C)C(=O)CCSc3ccc(Cl)cc3)n2)c1 218091617 CGPLDFXJVMHJRZ-UHFFFAOYSA-N 417.918 4.539 70 40 HJIB Cc1ccc(C)c([C@H](C)NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)c1 218346978 MXJAFJRRBIFIOT-IBGZPJMESA-N 422.550 4.620 70 40 HJIB O=C(CSCc1ccccc1Cl)NCc1nc(-c2ccccc2Cl)no1 218032782 MAOVIGJZEDRQKQ-UHFFFAOYSA-N 408.310 4.593 70 40 HJIB CCOc1ccc(CNC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1OCC 218708772 URDQDNLFZXKRAM-MRXNPFEDSA-N 405.922 4.838 70 40 HJIB O=C(NCc1nc(-c2ccc(Cl)cc2)no1)/C(=C/c1ccco1)c1ccccc1 218107343 IQSVTNFVTOMAES-CPNJWEJPSA-N 405.841 4.840 70 40 HJIB COc1cccc(-c2noc(CN(C)C(=O)c3cc4c(ccc5ccccc54)o3)n2)c1 218501965 ILSHLMOPTZCGOS-UHFFFAOYSA-N 413.433 4.917 70 40 HJIB Cc1ccc(C)c([C@H](C)NC(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)c1 218651655 TWARKCOGQZNNLX-SFHVURJKSA-N 422.550 4.623 70 40 HJIB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 216945730 FAHSAMMYQJEPGG-LJQANCHMSA-N 424.585 4.541 70 40 HJIB Cc1ccc([C@@H](C)NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)cc1C 218411925 SENJBYTWOQGLAY-GOSISDBHSA-N 408.523 4.595 70 40 HJIB CC[C@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccc(C)c(C)c1 218574048 VGDNYIVBHTXODM-QHCPKHFHSA-N 422.550 4.985 70 40 HJIB COc1ccc(CNC(=O)c2ccccc2SCc2ccccc2)c(OC)c1OC 218604267 MBWUTURNZMFRMK-UHFFFAOYSA-N 423.534 4.935 70 40 HJIB O=C(c1cc(S(=O)(=O)Cl)cn1CC1CCCCC1)C(Cl)(Cl)Cl 100566740 LTCFKHCFWAKOBF-UHFFFAOYSA-N 407.146 4.549 70 40 HJIB CN1CCC(Oc2ccc(NC(=O)CSCc3cccc(Cl)c3)cc2)CC1 216928919 PFPDOOGKMUAPAG-UHFFFAOYSA-N 404.963 4.685 70 40 HJIB CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)CCCOc1ccc(Cl)cc1 218739068 SWVPWVTYJDMIRI-UHFFFAOYSA-N 420.296 4.861 70 40 HJIB C[C@@](O)(CNC(=O)COc1ccc(Cl)cc1Cl)c1cc2ccccc2s1 217505503 DKRIYSUZYGHHGW-LJQANCHMSA-N 410.322 4.611 70 40 HJIB Cc1ccc([C@@H](C)NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1C 218304373 DXZXTYRFKJBPDH-LJQANCHMSA-N 422.550 4.620 70 40 HJIB COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)c2ccccc2)c(OC)c1OC 218186097 REGIFYHIYFNYFB-JQIJEIRASA-N 417.461 4.595 70 40 HJIB Cc1cc(O[C@H](C)C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc(C)c1Cl 216946364 HSPBFBAEVHHEGA-QGZVFWFLSA-N 416.949 4.836 70 40 HJIB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)COc1ccc(Cl)cc1Cl 217837292 CIYQRPAOXXVPJC-INIZCTEOSA-N 410.297 4.799 70 40 HJIB O=C(NCc1nc(-c2ccccc2Cl)no1)/C(=C/c1ccco1)c1ccccc1 218107237 UBJZAPDYUQNOLO-QGOAFFKASA-N 405.841 4.840 70 40 HJIB Cc1cccc(-c2noc(CN(C)C(=O)CSCc3c(F)cccc3Cl)n2)c1 218205384 RIJPTRFVUVQGEL-UHFFFAOYSA-N 419.909 4.729 70 40 HJIB CN1CCC(Oc2ccc(NC(=O)CCSc3ccc(Cl)cc3)cc2)CC1 216929531 WBHRSKMISBQYHH-UHFFFAOYSA-N 404.963 4.934 70 40 HJIB O=C(CCSc1ccc(Cl)cc1)NCc1nc(-c2ccccc2Cl)no1 218090987 DLEGQFXIVPJYLC-UHFFFAOYSA-N 408.310 4.842 70 40 HJIB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1nc(-c2ccccc2Cl)no1 218670664 ZVDKWZVXKDNGDR-CQSZACIVSA-N 413.905 4.771 70 40 HJIB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 217035220 OLAQMJJWWCSHHN-OAQYLSRUSA-N 402.922 4.609 70 40 HJIB O=C(c1cc2ccccc2o1)N1CCC(N2CCC(Oc3ccccc3F)CC2)CC1 217591176 JXBGLUYGQQQOQX-UHFFFAOYSA-N 422.500 4.720 70 40 HJIB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 217026308 HEWXRRSCTGXRDA-OAQYLSRUSA-N 402.922 4.609 70 40 HJIB O=C(CSCc1cccc(Cl)c1)NCc1nc(-c2ccc(Cl)cc2)no1 218039747 KXSRBSGCIZHEHH-UHFFFAOYSA-N 408.310 4.593 70 40 HJIB Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(I)cc1)CC(C)(C)O2 218213856 UVHVHIICSGYHLV-MRXNPFEDSA-N 421.278 4.632 70 40 HJIB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 216945708 TXNQSJIVOJLXHL-SFHVURJKSA-N 410.558 4.863 70 40 HJIB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CN1C(=O)c2cccc3cccc1c23 218318832 CXFMXQVZBDOWDN-LJQANCHMSA-N 400.478 4.527 70 40 HJIB COC(=O)c1sc(C(F)(F)F)c(-c2ccccc2Cl)c1S(=O)(=O)Cl 97945797 DEGQLFFPXOKOAA-UHFFFAOYSA-N 419.229 4.801 70 40 HJIB Cc1ccc2c(c1)[C@H](NC(=O)CN1C(=O)c3cccc4cccc1c34)CC(C)(C)O2 218318660 QWEFBYMIKUBRLW-LJQANCHMSA-N 400.478 4.527 70 40 HJIB Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(C)c2)c1 218601420 MAMFDKGLWJONEB-IBGZPJMESA-N 422.550 4.904 70 40 HJIB Cc1ccccc1OC[C@H](C)NC(=O)CSCc1ccc(Br)cc1 218197232 RXDQJECCKRNZRB-HNNXBMFYSA-N 408.361 4.574 70 40 HJIB Cc1ccc(N2C[C@H](C(=O)N3CCCC[C@H](c4ccc(F)cc4)C3)CC2=O)cc1C 217493584 FSOYBCLDPMCHSA-LEWJYISDSA-N 408.517 4.592 70 40 HJIB O=C(c1cc2ccccc2o1)N1CCC(N2CCC[C@H]2COCc2ccccc2)CC1 217596512 CLDAKFYENNBMCU-QHCPKHFHSA-N 418.537 4.719 70 40 HJIB Cc1ccc([C@H](C)NC(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)cc1C 218653068 PPHWWZGADOVPSQ-SFHVURJKSA-N 422.550 4.623 70 40 HJIB CCOc1ccc(CNC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1OCC 218708837 URDQDNLFZXKRAM-INIZCTEOSA-N 405.922 4.838 70 40 HJIB O=C(NC[C@H]1CCCN(c2nccs2)C1)c1cccc(Oc2ccc(F)cc2)c1 218142350 SYFUABNSSUXSDA-MRXNPFEDSA-N 411.502 4.721 70 40 HJIB COc1ccc(CN2CCO[C@@H]2c2ccn(-c3ccccc3Br)c2)cc1 216744811 WFRNYGCFSDQGGW-OAQYLSRUSA-N 413.315 4.779 70 40 HJIB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1 218415064 HKBGREOWHAHUFT-IBGZPJMESA-N 422.550 4.904 70 40 HJIB Cc1ccc(-c2noc(CN(C)C(=O)CCSc3ccc(Cl)cc3)n2)cc1 218091507 IHHHTAPUZNNBGD-UHFFFAOYSA-N 401.919 4.839 70 40 HJIB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 217025942 WVZWXBBOLXWWQK-FQEVSTJZSA-N 402.922 4.609 70 40 HJIB COc1ccc(CN2CCO[C@H]2c2ccn(-c3cccc(Br)c3)c2)cc1 216743745 NCCOGAQKWVPBBN-NRFANRHFSA-N 413.315 4.779 70 40 HJIB O=C(NCc1ccc(C(=O)c2ccccc2)s1)c1ccc(Br)cc1 217294184 QTTUVJHTRIANCN-UHFFFAOYSA-N 400.297 4.672 70 40 HJIB