smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(Cc1c[nH]c2ccccc12)N1CCCC[C@H](c2ccccc2)C1 217490538 YZUHOWGFKMCNJM-SFHVURJKSA-N 332.447 4.507 70 40 EJIB Cc1ccc(OCC(=O)Nc2ccc(OC3CCCC3)cc2)cc1C 218720865 NOPGKNSHYUNFOC-UHFFFAOYSA-N 339.435 4.642 70 40 EJIB Cc1ccc(N2CCO[C@@H]2c2ccn(-c3cccc(Cl)c3)c2)cc1 216718275 KUPKURJTQAHBTI-HXUWFJFHSA-N 338.838 4.975 70 40 EJIB Cc1cccc(CN2CCO[C@@H]2c2ccn(-c3ccccc3C)c2)c1 216739606 QEPKQLLDONDVRX-JOCHJYFZSA-N 332.447 4.625 70 40 EJIB C[C@@H](Sc1ccccc1)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 218057349 RBYGOKHYONWXTO-PBHICJAKSA-N 341.476 4.586 70 40 EJIB Cc1ccccc1-n1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)c1 216672859 SPZBFAXASQCIJS-NRFANRHFSA-N 348.471 4.560 70 40 EJIB Cc1ccc(-n2ccc([C@H]3OCCN3Cc3cccc(C)c3)c2)cc1 216739889 ZUAXPSLNHKQPJW-JOCHJYFZSA-N 332.447 4.625 70 40 EJIB Cc1ccccc1[C@@H](C)NCc1cccc(COC2CCOCC2)c1 159575274 QWVMDZXNYUCHLA-GOSISDBHSA-N 339.479 4.541 70 40 EJIB Fc1ccc(N2CCO[C@@H]2c2ccn(-c3cccc(Cl)c3)c2)cc1 216731763 RTYUHJFJJBKWFN-LJQANCHMSA-N 342.801 4.805 70 40 EJIB CC[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1)c1ccc(C)c(C)c1 218679279 VHSDCVSKKHDVFZ-KXBFYZLASA-N 345.870 4.992 70 40 EJIB Cc1ccc(S[C@@H](C)C(=O)N[C@@H](C)c2cc(C)ccc2C)cc1 218135535 CPEPNYVVNRGEGX-IRXDYDNUSA-N 327.493 4.970 70 40 EJIB Cc1ccc(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1 218141472 HVWZWFISJIFORP-IRXDYDNUSA-N 327.493 4.970 70 40 EJIB Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(Cl)cc1)CC(C)(C)O2 217850126 WISSURWMHWUXMD-MRXNPFEDSA-N 329.827 4.681 70 40 EJIB Cc1ccc(S[C@H](C)C(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1 218141702 HVWZWFISJIFORP-IAGOWNOFSA-N 327.493 4.970 70 40 EJIB CC1(C)C[C@H](NC(=O)/C=C/c2ccc(Cl)cc2)c2ccccc2O1 217959047 UDAOSAFCLDYJIQ-KQPPXVQYSA-N 341.838 4.772 70 40 EJIB O=C(c1ccc2ncsc2c1)N1CCCC[C@H](c2ccccc2)C1 217490331 BWQGIXYSSLKKMW-KRWDZBQOSA-N 336.460 4.706 70 40 EJIB O=C(COc1ccc(Cl)cc1)Nc1ccc(OC2CCCC2)cc1 217830646 KRWMGIVBJFXASO-UHFFFAOYSA-N 345.826 4.679 70 40 EJIB CC[C@@H](NC(=O)c1ccccc1Br)c1ccc(C)c(C)c1 218222381 HTYMSJJPTCSGNS-QGZVFWFLSA-N 346.268 4.947 70 40 EJIB Clc1cccc(-n2ccc([C@@H]3OCCN3Cc3ccccc3)c2)c1 216734447 IFOJCUURKFYBLW-FQEVSTJZSA-N 338.838 4.662 70 40 EJIB Cc1ccc(CSCC(=O)NCCCc2ccc(Cl)cc2)cc1 218020801 CPYHJIHRSRQLDR-UHFFFAOYSA-N 347.911 4.631 70 40 EJIB CCc1ccc(-n2ccc([C@@H]3OCCN3Cc3cccc(C)c3)c2)cc1 216741292 KKBZHFSDEYBELY-QHCPKHFHSA-N 346.474 4.879 70 40 EJIB CCc1ccc(N2CCO[C@H]2c2ccn(-c3ccccc3C)c2)cc1 216728714 CWKHEXNQFRGWCT-QFIPXVFZSA-N 332.447 4.884 70 40 EJIB Cc1ccc(S[C@H](C)C(=O)N[C@H](C)c2cc(C)ccc2C)cc1 218135790 CPEPNYVVNRGEGX-IAGOWNOFSA-N 327.493 4.970 70 40 EJIB CCc1ccccc1-n1ccc([C@@H]2OCCN2c2cccc(OC)c2)c1 216725242 FDWCSANBMFTNLA-QFIPXVFZSA-N 348.446 4.584 70 40 EJIB CC[C@H](NC(=O)c1ccccc1Br)c1ccc(C)cc1C 218222638 DKQGCOHKRGRPPE-KRWDZBQOSA-N 346.268 4.947 70 40 EJIB Cc1ccc(CN2CCO[C@@H]2c2ccn(-c3ccccc3C)c2)cc1 216736826 DAPQYRUDVKHFOW-JOCHJYFZSA-N 332.447 4.625 70 40 EJIB Cc1ccc(C)c([C@@H](C)NC(=O)[C@@H](C)SCc2ccccc2)c1 218065335 VGRFLFXMFFDVBM-IAGOWNOFSA-N 327.493 4.803 70 40 EJIB Cc1ccc(SCC(=O)NCCCc2ccc(C(C)C)cc2)cc1 217979737 MQIPMOHUZCVMFK-UHFFFAOYSA-N 341.520 4.960 70 40 EJIB Cc1ccc(OCCNC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1 217951309 PAQSTOHFKUTBEM-NTEUORMPSA-N 337.463 4.501 70 40 EJIB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccccc1Cl 217847255 HPWWTAPPFBKISS-MRXNPFEDSA-N 329.827 4.681 70 40 EJIB O=c1c(Cc2ccccc2)c(CNc2ccccc2)[nH]c2ccccc12 217430537 BLOPXBFWUUREAG-UHFFFAOYSA-N 340.426 4.731 70 40 EJIB Cc1cccc(N2CCO[C@H]2c2ccn(-c3cccc(Cl)c3)c2)c1 216715610 BLFWEZARTJNPEQ-FQEVSTJZSA-N 338.838 4.975 70 40 EJIB Cc1ccccc1[C@H](C)NCc1cccc(COC2CCOCC2)c1 159575396 QWVMDZXNYUCHLA-SFHVURJKSA-N 339.479 4.541 70 40 EJIB CCOc1ccccc1-n1ccc([C@H]2OCCN2c2ccc(C)cc2)c1 216720249 XUIRYCIURJTHFY-JOCHJYFZSA-N 348.446 4.720 70 40 EJIB COc1ccc(C(=O)Nc2ccccc2-c2csc(C)n2)cc1F 218600118 RDLKIQZTQVPDFV-UHFFFAOYSA-N 342.395 4.519 70 40 EJIB CC[C@@H](NC(=O)COc1ccc(C)c(C)c1)c1ccc(C)c(C)c1 218722671 VGKTUXCKPGARQG-HXUWFJFHSA-N 325.452 4.567 70 40 EJIB CC[C@@H](NC(=O)[C@H](C)Oc1cccc(C)c1)c1ccc(C)cc1C 218689626 NNWSZXUELZILLW-FXAWDEMLSA-N 325.452 4.647 70 40 EJIB Clc1ccccc1-n1ccc([C@H]2OCCN2Cc2ccccc2)c1 216734376 XOBXSKWBFNFRRI-HXUWFJFHSA-N 338.838 4.662 70 40 EJIB Fc1ccc(N2CCO[C@H]2c2ccn(-c3cccc(Cl)c3)c2)cc1 216731805 RTYUHJFJJBKWFN-IBGZPJMESA-N 342.801 4.805 70 40 EJIB Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(Cl)cc1)CC(C)(C)O2 217850047 WISSURWMHWUXMD-INIZCTEOSA-N 329.827 4.681 70 40 EJIB Cc1cc2nc(C3=CCN(Cc4ccc(F)cc4)CC3)oc2cc1C 216784994 ISIGCPRHSMHVNB-UHFFFAOYSA-N 336.410 4.873 70 40 EJIB O=C(Nc1ccccc1)O[C@H]1[C@@H]2CCC[C@@H]1[C@@H](N1CCCCC1)CC2 217422077 LURDPRCEUSFKGO-LMCOJAPRSA-N 342.483 4.668 70 40 EJIB Cc1cc(C)cc(OCC(=O)NCCCc2ccc(C(C)C)cc2)c1 218697171 UCFAXUBGEIFZIK-UHFFFAOYSA-N 339.479 4.555 70 40 EJIB O=C(NCC1(c2ccsc2)CCCC1)c1c(F)cccc1Cl 217481856 KAMGLCUHLLLEDF-UHFFFAOYSA-N 337.847 4.782 70 40 EJIB O=S(=O)(Cl)c1cc(Cl)cc(S(F)(F)(F)(F)F)c1 103625334 IYGLCEYXUSWUKB-UHFFFAOYSA-N 337.118 4.925 70 40 EJIB Cc1ccc(/C=C/C(=O)NCCCc2cccc(OC(C)C)c2)cc1 218178343 VDDGDHQOSVKXKA-BUHFOSPRSA-N 337.463 4.544 70 40 EJIB Cc1ccc(CCC(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)cc1 218535278 IELGVRDRHFNHEP-LJQANCHMSA-N 337.463 4.655 70 40 EJIB CCOc1cccc(-n2ccc([C@@H]3OCCN3c3ccc(C)cc3)c2)c1 216720323 YHIWUBSYKPGOQP-QFIPXVFZSA-N 348.446 4.720 70 40 EJIB CCc1ccccc1-n1ccc([C@H]2OCCN2c2ccccc2OC)c1 216722585 HQDKJCWNTCGPPX-JOCHJYFZSA-N 348.446 4.584 70 40 EJIB CC1(C)C[C@H](NC(=O)/C=C/c2ccccc2Cl)c2ccccc2O1 217900706 DJSAOYAXGMFKIK-FLVLSHQESA-N 341.838 4.772 70 40 EJIB C[C@@H](SCc1ccccc1)C(=O)NCCCc1ccc(Cl)cc1 218065843 HQXKIDDQEZMGQJ-OAHLLOKOSA-N 347.911 4.711 70 40 EJIB CC[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1)c1ccc(C)c(C)c1 218679125 VHSDCVSKKHDVFZ-BEFAXECRSA-N 345.870 4.992 70 40 EJIB Cc1ccc2c(c1)[C@H](NC(=O)c1ccccc1Cl)CC(C)(C)O2 217847068 RFPCJFXKFNFDKA-MRXNPFEDSA-N 329.827 4.681 70 40 EJIB O=C(c1ccc(Cl)cc1)N1CCCC[C@H](c2ccc(F)cc2)C1 217491870 BZEBHVRYOSIXML-INIZCTEOSA-N 331.818 4.889 70 40 EJIB CC(C)(C)c1ccc(/C=C/C(=O)NCCCc2ccc(F)cc2)cc1 217950692 JYQUUAWJVADUGZ-XNTDXEJSSA-N 339.454 4.885 70 40 EJIB CCc1ccc(-n2ccc([C@@H]3OCCN3c3cccc(OC)c3)c2)cc1 216724906 LUGSVJFNEJXRPR-QFIPXVFZSA-N 348.446 4.584 70 40 EJIB Nc1nnc(/C=C/c2cccc(OCc3cccc4ccccc34)c2)o1 216906310 WOOPCEILBJWBGC-VAWYXSNFSA-N 343.386 4.554 70 40 EJIB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)/C=C/c1ccc(F)cc1 217913239 NINZNJYLJKVFGK-DBEXCURXSA-N 339.410 4.566 70 40 EJIB CCc1ccc(N2CCO[C@H]2c2ccn(-c3ccccc3F)c2)cc1 216729399 VZLSJQIITGEDQJ-NRFANRHFSA-N 336.410 4.714 70 40 EJIB O=C(NCc1ccc(Cl)cc1)/C(=C/c1ccco1)c1ccccc1 218095580 CVGHQLJIYYIIPU-CPNJWEJPSA-N 337.806 4.790 70 40 EJIB Cc1ccc([C@@H](C)NC(=O)[C@H](C)SCc2ccccc2)cc1C 218071484 YMDWSSKBYYLCHU-SJORKVTESA-N 327.493 4.803 70 40 EJIB CCc1ccccc1-n1ccc([C@H]2OCCN2c2ccc(F)cc2)c1 216733369 MCWPKLDVBVBKPI-OAQYLSRUSA-N 336.410 4.714 70 40 EJIB Cc1ccc(CN2CCO[C@H]2c2ccn(-c3ccccc3C)c2)cc1 216736875 DAPQYRUDVKHFOW-QFIPXVFZSA-N 332.447 4.625 70 40 EJIB O=C(CSc1ccccc1)Nc1ccccc1C(=O)c1ccccc1 217971269 GURDLXPECUPQII-UHFFFAOYSA-N 347.439 4.648 70 40 EJIB CC[C@@H](NC(=O)CSc1ccc(C)cc1)c1ccc(C)c(C)c1 217978154 QZAUHQUKSSDERN-LJQANCHMSA-N 327.493 4.971 70 40 EJIB Cc1cccc(N2CCO[C@@H]2c2ccn(-c3ccccc3Cl)c2)c1 216715438 CDRAGVHMTBBDHU-HXUWFJFHSA-N 338.838 4.975 70 40 EJIB CC(C)(C)c1ccc(/C=C/C(=O)NCCSCc2ccco2)cc1 217949723 BSNWJKBBHMRJKM-DHZHZOJOSA-N 343.492 4.640 70 40 EJIB COc1ccc(CSCC(=O)Nc2cccc3ccccc23)cc1 218109864 HLRHYDCYGVVWPM-UHFFFAOYSA-N 337.444 4.720 70 40 EJIB CC[C@H](NC(=O)[C@@H](C)Oc1cccc(C)c1)c1ccc(C)cc1C 218689543 NNWSZXUELZILLW-XLIONFOSSA-N 325.452 4.647 70 40 EJIB Cc1ccc(/C=C/C(=O)NCCCc2ccc(OC(C)C)cc2)cc1 218178435 QRGKKYVPRVZMKH-NTCAYCPXSA-N 337.463 4.544 70 40 EJIB CC(C)c1ccc(CCCNC(=O)Cc2ccc(Cl)cc2)cc1 218532044 RMFOYQKUSIDEMV-UHFFFAOYSA-N 329.871 4.755 70 40 EJIB Cc1cccc(CN2CCO[C@@H]2c2ccn(-c3cccc(C)c3)c2)c1 216739727 FBXSOPPGRMSUIB-JOCHJYFZSA-N 332.447 4.625 70 40 EJIB O=C(/C=C/c1ccccc1Cl)NCCCc1ccc(Cl)cc1 217899443 PRGXFUYALUDFDM-FMIVXFBMSA-N 334.246 4.756 70 40 EJIB CCc1ccc2oc(C3=CCN(Cc4ccc(F)cc4)CC3)nc2c1 216784930 BVGCUGHZGCWQIH-UHFFFAOYSA-N 336.410 4.819 70 40 EJIB COC(=O)c1c(C)n(C(=O)c2ccc(C(C)C)cc2)c2ccccc12 216950651 XMNDKPZGXQJMNM-UHFFFAOYSA-N 335.403 4.548 70 40 EJIB Cc1ccc([C@H](C)NC(=O)[C@@H](C)SCc2ccccc2)cc1C 218071417 YMDWSSKBYYLCHU-DLBZAZTESA-N 327.493 4.803 70 40 EJIB Cc1ccc(S[C@@H](C)C(=O)NCc2cccc(OC(C)C)c2)cc1 218134959 AAYVLIZVRCGAMU-INIZCTEOSA-N 343.492 4.579 70 40 EJIB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccccc1Cl 217847163 HPWWTAPPFBKISS-INIZCTEOSA-N 329.827 4.681 70 40 EJIB Cc1ccc(S[C@H](C)C(=O)NCc2cccc(OC(C)C)c2)cc1 218135042 AAYVLIZVRCGAMU-MRXNPFEDSA-N 343.492 4.579 70 40 EJIB Cc1ccc(S[C@H](C)C(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1 218141539 HVWZWFISJIFORP-DLBZAZTESA-N 327.493 4.970 70 40 EJIB CSc1ccccc1C(=O)NCCCc1ccc(C(C)C)cc1 218194559 YUKHZKVFXRIRFT-UHFFFAOYSA-N 327.493 4.895 70 40 EJIB CCc1ccc(N2CCO[C@H]2c2ccn(-c3cccc(C)c3)c2)cc1 216728843 SHFUTBBBCPILOR-QFIPXVFZSA-N 332.447 4.884 70 40 EJIB Cc1cc(C)c2oc(C3=CCN(Cc4ccccc4F)CC3)nc2c1 216784430 XGBOORYZBLANOB-UHFFFAOYSA-N 336.410 4.873 70 40 EJIB CCCn1c(C)c(C(=O)OCC)c2cc(OC3CCCC3)ccc21 217768290 QXNGJYUVBORCAO-UHFFFAOYSA-N 329.440 4.858 70 40 EJIB COC(=O)c1c(C)n(C(=O)c2ccc3ccccc3c2)c2ccccc12 216951261 IGZSRTDPGTZLID-UHFFFAOYSA-N 343.382 4.578 70 40 EJIB Cc1ccc(CSCC(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1 218024046 OEJZHIJEOUCSDF-KRWDZBQOSA-N 327.493 4.722 70 40 EJIB Cc1ccc([C@@H](C)NC(=O)CSCc2ccccc2C)cc1C 218017570 VVLUVKQTRAQHJO-QGZVFWFLSA-N 327.493 4.722 70 40 EJIB Cc1cc(C)c2oc(C3=CCN(Cc4ccc(F)cc4)CC3)nc2c1 216785067 QUWDOGRCTOODAU-UHFFFAOYSA-N 336.410 4.873 70 40 EJIB CCc1ccccc1-n1ccc([C@@H]2OCCN2c2ccc(C)cc2)c1 216719887 XGHTXDMCPOFNFW-QFIPXVFZSA-N 332.447 4.884 70 40 EJIB CCc1ccccc1-n1ccc([C@@H]2OCCN2c2ccccc2OC)c1 216722542 HQDKJCWNTCGPPX-QFIPXVFZSA-N 348.446 4.584 70 40 EJIB O=C(/C=C/c1ccc(Cl)cc1)NCCCc1ccc(Cl)cc1 217957866 GEZBEORNHHDCPZ-KPKJPENVSA-N 334.246 4.756 70 40 EJIB Cc1ccc(SCCC(=O)NCCCc2ccc(Cl)cc2)cc1 218146921 SPLXKQMWBQPPAX-UHFFFAOYSA-N 347.911 4.880 70 40 EJIB Cc1cccc(O[C@H](C)C(=O)NCCCc2ccc(C(C)C)cc2)c1 218691541 BGNYBMHCIUKFQE-GOSISDBHSA-N 339.479 4.635 70 40 EJIB Cc1cccc(N2CCO[C@@H]2c2ccn(-c3ccc(Cl)cc3)c2)c1 216715675 VLKHJDVZJGCZPQ-HXUWFJFHSA-N 338.838 4.975 70 40 EJIB C[C@@H](Sc1ccccc1)C(=O)NCCCc1ccc(Cl)cc1 218055699 PNSRNVAGXYDJPF-CQSZACIVSA-N 333.884 4.570 70 40 EJIB CCOC(=O)c1c(C)n(CC(C)C)c2ccc(OCC(C)C)cc12 217765682 YHVAWMXWPZJPGJ-UHFFFAOYSA-N 331.456 4.817 70 40 EJIB CCOc1cccc(-n2ccc([C@H]3OCCN3c3ccc(C)cc3)c2)c1 216720365 YHIWUBSYKPGOQP-JOCHJYFZSA-N 348.446 4.720 70 40 EJIB CCc1ccc(N2CCO[C@@H]2c2ccn(-c3ccc(F)cc3)c2)cc1 216729467 JOWGQOVZWPMMAJ-OAQYLSRUSA-N 336.410 4.714 70 40 EJIB CSc1ccccc1C(=O)N[C@H]1CC(C)(C)Oc2ccc(C)cc21 218192823 NFMOAULJHKNXAH-INIZCTEOSA-N 341.476 4.749 70 40 EJIB Cc1ccc(N2CCO[C@@H]2c2ccn(-c3ccccc3Cl)c2)cc1 216718163 OUBAFNLBPSUMMG-HXUWFJFHSA-N 338.838 4.975 70 40 EJIB CCc1ccc(N2CCO[C@H]2c2ccn(-c3ccc(OC)cc3)c2)cc1 216730171 NLWUGEFUQVHKFG-QFIPXVFZSA-N 348.446 4.584 70 40 EJIB Cc1ccc(-n2ccc([C@H]3SCC(=O)N3Cc3ccccc3)c2)cc1 216673103 JQDKTCNMLVYKOI-OAQYLSRUSA-N 348.471 4.560 70 40 EJIB Cc1ccc2c(c1)[C@H](NC(=S)Nc1ccccc1)CC(C)(C)O2 217936880 GIBLRTKSOVARKN-MRXNPFEDSA-N 326.465 4.584 70 40 EJIB Cc1cccc(-n2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)c2)c1 216672959 ZSXZDMHVTYAHRW-NRFANRHFSA-N 348.471 4.560 70 40 EJIB Cc1ccc(OCCCC(=O)N[C@@H](C)c2cc(C)ccc2C)cc1 218729370 RVQONRHHUHSYHE-SFHVURJKSA-N 325.452 4.648 70 40 EJIB CCc1ccc(-n2ccc([C@H]3OCCN3c3cccc(OC)c3)c2)cc1 216724950 LUGSVJFNEJXRPR-JOCHJYFZSA-N 348.446 4.584 70 40 EJIB CC[C@@H](NC(=O)Nc1cccc(OC)c1)c1ccc2c(c1)CCCC2 217273222 QQSLDCJCBINWQH-HXUWFJFHSA-N 338.451 4.847 70 40 EJIB C[C@H](Sc1ccccc1)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 218057281 RBYGOKHYONWXTO-WMLDXEAASA-N 341.476 4.586 70 40 EJIB CCOc1ccc(-n2ccc([C@H]3OCCN3c3ccc(C)cc3)c2)cc1 216719480 PAAZGFWBKFMJFT-JOCHJYFZSA-N 348.446 4.720 70 40 EJIB Cc1ccc(CN2CCO[C@H]2c2ccn(-c3ccc(C)cc3)c2)cc1 216737108 CSSRFBZMGXSZMW-QFIPXVFZSA-N 332.447 4.625 70 40 EJIB CCc1ccc(-n2ccc([C@@H]3OCCN3c3ccc(F)cc3)c2)cc1 216732989 MQKMGVJTDCFRAN-NRFANRHFSA-N 336.410 4.714 70 40 EJIB Cc1ccc2c(c1)[C@@H](NC(=O)Cc1ccc(Cl)cc1)CC(C)(C)O2 218529757 YHUYGGXJLWKGEJ-KRWDZBQOSA-N 343.854 4.610 70 40 EJIB Cc1ccc(OCCCC(=O)NCCCc2ccccc2Cl)cc1 218729527 DFMFEFQBYPXRFX-UHFFFAOYSA-N 345.870 4.556 70 40 EJIB CCc1ccc(N2CCO[C@H]2c2ccn(-c3cccc(F)c3)c2)cc1 216730961 POLASOLQNYSHOS-NRFANRHFSA-N 336.410 4.714 70 40 EJIB CC[C@H](NC(=O)COc1cc(C)cc(C)c1)c1ccc(C)cc1C 218695326 JQFUYRGBAYUPAC-FQEVSTJZSA-N 325.452 4.567 70 40 EJIB CCOC(=O)c1ccc(OC)c(OCc2cccc3ccccc23)c1 216850190 XSCGKOKKEABFJF-UHFFFAOYSA-N 336.387 4.604 70 40 EJIB Cc1ccccc1CSCC(=O)NCCCc1ccccc1Cl 218014046 MRMJBOJSVVAVMR-UHFFFAOYSA-N 347.911 4.631 70 40 EJIB O=C(c1nc2ccccc2s1)N1CCCC[C@H](c2ccccc2)C1 217287884 JAYAKONJVAXPPW-INIZCTEOSA-N 336.460 4.706 70 40 EJIB CCOc1ccc(CCCNC(=O)/C=C/c2ccc(Cl)cc2)cc1 217959158 LJULRTORQUDYBO-NTEUORMPSA-N 343.854 4.501 70 40 EJIB CCCCCCNc1cccc2c(S(=O)(=O)Cl)cccc12 110167111 QLBRQOAXZLYLAS-UHFFFAOYSA-N 325.861 4.760 70 40 EJIB CCc1ccc(N2CCO[C@@H]2c2ccn(-c3cccc(F)c3)c2)cc1 216730911 POLASOLQNYSHOS-OAQYLSRUSA-N 336.410 4.714 70 40 EJIB CC[C@@H](NC(=O)COc1cc(C)cc(C)c1)c1ccc(C)c(C)c1 218695055 XPSINFGYWZVFPL-HXUWFJFHSA-N 325.452 4.567 70 40 EJIB FC(F)(F)C(F)(F)C(F)(F)CC[Si](Cl)(Cl)Cl 169806131 HPQDRJIVNDILHK-UHFFFAOYSA-N 331.518 4.865 70 40 EJIB CC[C@H](NC(=O)Nc1ccccc1OC)c1ccc2c(c1)CCCC2 217267994 VWHYJLBIXHBJDA-SFHVURJKSA-N 338.451 4.847 70 40 EJIB CC[C@H](NC(=O)COc1cc(C)cc(C)c1)c1ccc(C)c(C)c1 218695136 XPSINFGYWZVFPL-FQEVSTJZSA-N 325.452 4.567 70 40 EJIB CCc1ccc(N2CCO[C@@H]2c2ccn(-c3ccccc3F)c2)cc1 216729351 VZLSJQIITGEDQJ-OAQYLSRUSA-N 336.410 4.714 70 40 EJIB O=C(CSCc1ccccc1)NCC1(c2ccsc2)CCCC1 217482179 KDLWQJGSJHZKTQ-UHFFFAOYSA-N 345.533 4.610 70 40 EJIB O=C(c1ccc(Cl)cc1)N1CCCC[C@@H](c2ccc(F)cc2)C1 217491789 BZEBHVRYOSIXML-MRXNPFEDSA-N 331.818 4.889 70 40 EJIB Cc1ccccc1OC[C@H](C)NC(=O)c1ccc(-c2ccccc2)cc1 218164564 HDTKYHJUIVJJCF-SFHVURJKSA-N 345.442 4.859 70 40 EJIB C[C@H](Sc1ccccc1)C(=O)NCCCc1ccc(Cl)cc1 218055755 PNSRNVAGXYDJPF-AWEZNQCLSA-N 333.884 4.570 70 40 EJIB O=C(CCSc1ccccc1)NCCCc1ccc(Cl)cc1 218079524 RQEXDZBPULLNSM-UHFFFAOYSA-N 333.884 4.571 70 40 EJIB CC[C@H](NC(=O)CCCOc1ccccc1)c1ccc(C)c(C)c1 218727793 RABKVUKZNLNOPN-FQEVSTJZSA-N 325.452 4.730 70 40 EJIB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1cccc(Cl)c1 217852854 YEXQTHIEILZQNU-INIZCTEOSA-N 329.827 4.681 70 40 EJIB O=C(/C=C/c1ccc(F)cc1)Nc1ccc(OC2CCCC2)cc1 217911840 XJLUGPZSLDWYPX-VGOFMYFVSA-N 325.383 4.799 70 40 EJIB Cc1ccc(C)c([C@@H](C)NC(=O)[C@H](C)SCc2ccccc2)c1 218065491 VGRFLFXMFFDVBM-SJORKVTESA-N 327.493 4.803 70 40 EJIB O=C(NCC1(c2ccsc2)CCCC1)c1ccc(Cl)s1 217480874 NAHXXADOOBAOHB-UHFFFAOYSA-N 325.886 4.705 70 40 EJIB O=C(CCSc1ccccc1)NCC1(c2ccsc2)CCCC1 217482268 ITFOLZZNWBRCDK-UHFFFAOYSA-N 345.533 4.859 70 40 EJIB CC[C@@H](NC(=O)c1ccccc1Br)c1ccc(C)cc1C 218222563 DKQGCOHKRGRPPE-QGZVFWFLSA-N 346.268 4.947 70 40 EJIB O=C(c1cccs1)N1CCS[C@@H]1c1ccc(Cl)c(Cl)c1 217640694 LEUKHDNGHGKPKE-CQSZACIVSA-N 344.288 4.943 70 40 EJIB CCc1ccc(-n2ccc([C@H]3OCCN3Cc3ccc(C)cc3)c2)cc1 216738611 ITFJQLOQDYQRBV-HSZRJFAPSA-N 346.474 4.879 70 40 EJIB CC[C@H](NC(=O)CSc1ccc(C)cc1)c1ccc(C)c(C)c1 217978229 QZAUHQUKSSDERN-IBGZPJMESA-N 327.493 4.971 70 40 EJIB Cc1cccc(CN2CCO[C@H]2c2ccn(-c3cccc(C)c3)c2)c1 216739768 FBXSOPPGRMSUIB-QFIPXVFZSA-N 332.447 4.625 70 40 EJIB O=C(CCCc1ccccc1)N1CCCC[C@@H](c2ccc(F)cc2)C1 217492063 ZALJOWFZKJMTIN-HXUWFJFHSA-N 339.454 4.945 70 40 EJIB Cc1ccc(OCCCC(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1 218732204 PGMSSEHQSYVDBR-SFHVURJKSA-N 325.452 4.648 70 40 EJIB COc1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1N 217684141 YKTRGSWOLNRKAT-UHFFFAOYSA-N 331.828 4.798 70 40 EJIB Cc1cc(C)c([Si](Cl)(Cl)c2c(C)cc(C)cc2C)c(C)c1 195858464 RUSBLLCPBKKDKQ-UHFFFAOYSA-N 337.366 4.571 70 40 EJIB CC(C)(C)c1ccc(CCC(=O)NCCCc2ccc(F)cc2)cc1 218538666 RVPWFDOXWMZEDQ-UHFFFAOYSA-N 341.470 4.805 70 40 EJIB Fc1ccc(N2CCO[C@@H]2c2ccn(-c3ccccc3Cl)c2)cc1 216731655 TZHSFTAKVFSSPG-LJQANCHMSA-N 342.801 4.805 70 40 EJIB Clc1ccc(-n2ccc([C@@H]3OCCN3Cc3ccccc3)c2)cc1 216734558 RXBMGVCLBLMAEJ-FQEVSTJZSA-N 338.838 4.662 70 40 EJIB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CSc1ccccc1 217972924 WZYVXJYKWFOAFK-QGZVFWFLSA-N 341.476 4.506 70 40 EJIB Cc1ccc(C)c([C@@H](C)NC(=O)CSCc2ccccc2C)c1 218013848 SWAUCKSDMCXQSD-QGZVFWFLSA-N 327.493 4.722 70 40 EJIB CCc1ccccc1-n1ccc([C@H]2OCCN2Cc2ccccc2)c1 216736164 FWYBCSJNZHQWCH-JOCHJYFZSA-N 332.447 4.571 70 40 EJIB CC(C)c1ccc(CCCNC(=O)CSc2ccccc2)cc1 217974713 MSELZSIUSBWSQS-UHFFFAOYSA-N 327.493 4.651 70 40 EJIB Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(-c3ccccc3)cc2)cc1 218164700 JSTAPCCPCNIOSM-GOSISDBHSA-N 345.442 4.859 70 40 EJIB CC[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1)c1ccc(C)cc1C 218679641 WFQLLUUMWFDLSI-KXBFYZLASA-N 345.870 4.992 70 40 EJIB CC[C@H](NC(=O)c1ccc(Br)cc1)c1ccc(C)cc1C 217870476 WVIJOFWGPKNRJT-KRWDZBQOSA-N 346.268 4.947 70 40 EJIB CC[C@H](NC(=O)[C@H](C)Oc1cccc(C)c1)c1ccc(C)c(C)c1 218689362 UMGJGKLKNQFIQW-PXNSSMCTSA-N 325.452 4.647 70 40 EJIB Cc1cccc(-n2ccc([C@H]3SCC(=O)N3Cc3ccccc3)c2)c1 216673001 ZSXZDMHVTYAHRW-OAQYLSRUSA-N 348.471 4.560 70 40 EJIB Cc1ccc(-n2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)c2)cc1 216673060 JQDKTCNMLVYKOI-NRFANRHFSA-N 348.471 4.560 70 40 EJIB CC[C@H](NC(=O)Nc1cccc(OC)c1)c1ccc2c(c1)CCCC2 217273224 QQSLDCJCBINWQH-FQEVSTJZSA-N 338.451 4.847 70 40 EJIB CC[C@H](NC(=O)CSCc1ccccc1)c1ccc(C)cc1C 218011243 QINFWJYIOKLHMF-IBGZPJMESA-N 327.493 4.804 70 40 EJIB CC[C@H](NC(=O)c1ccc(Br)cc1)c1ccc(C)c(C)c1 217870296 SHHCQPTVBSFJKM-KRWDZBQOSA-N 346.268 4.947 70 40 EJIB COc1ccc(CCNC(=O)c2cc3c(ccc4ccccc43)o2)cc1 218494190 NEADTXYBMHFTGQ-UHFFFAOYSA-N 345.398 4.567 70 40 EJIB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(Cl)cc1 217850301 STVYCXXGOOKMCC-MRXNPFEDSA-N 329.827 4.681 70 40 EJIB Cc1ccc2c(c1)[C@H](NC(=O)/C=C/c1ccc(F)cc1)CC(C)(C)O2 217913136 WALIHMMCEPQOMQ-JGZYNSJSSA-N 339.410 4.566 70 40 EJIB Clc1ccccc1-n1ccc([C@@H]2OCCN2Cc2ccccc2)c1 216734334 XOBXSKWBFNFRRI-FQEVSTJZSA-N 338.838 4.662 70 40 EJIB O=C(CSc1ccc(F)cc1)NCC1(c2ccsc2)CCCC1 217482386 HFXYPOLHOMBOPC-UHFFFAOYSA-N 349.496 4.608 70 40 EJIB Cc1ccc(C)c([C@H](C)NC(=O)CSCc2ccccc2C)c1 218013934 SWAUCKSDMCXQSD-KRWDZBQOSA-N 327.493 4.722 70 40 EJIB Cc1ccc(C)c([C@H](C)NC(=O)[C@H](C)SCc2ccccc2)c1 218065574 VGRFLFXMFFDVBM-IRXDYDNUSA-N 327.493 4.803 70 40 EJIB Cc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)c2ccccc2)cc1 218178269 JZQLGYAOFSDPCY-FOCLMDBBSA-N 341.410 4.878 70 40 EJIB ClC(Cl)=P(c1ccccc1)(c1ccccc1)c1ccccc1 100049210 VVBOKSZMMZPBIY-UHFFFAOYSA-N 345.209 4.546 70 40 EJIB Cc1ccc(/C=C/C(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)cc1 218180033 MSDBVKIWIYXJEV-FMAYLGMYSA-N 335.447 4.735 70 40 EJIB CC[C@H](NC(=O)COc1ccc(C)c(C)c1)c1ccc(C)cc1C 218722933 SBWWLFHQLLPEIP-FQEVSTJZSA-N 325.452 4.567 70 40 EJIB Cc1ccc(C)c([C@@H](C)NC(=O)CCCOc2ccc(Cl)cc2)c1 218735022 LIOOUELPVUZTBM-MRXNPFEDSA-N 345.870 4.993 70 40 EJIB CCc1ccc(N2CCO[C@@H]2c2ccn(-c3ccccc3C)c2)cc1 216728663 CWKHEXNQFRGWCT-JOCHJYFZSA-N 332.447 4.884 70 40 EJIB O=C(/C=C/c1ccccc1Cl)NCCCc1ccccc1Cl 217899327 IGFVEVFAFZSMGF-VAWYXSNFSA-N 334.246 4.756 70 40 EJIB CCc1ccc(-n2ccc([C@@H]3OCCN3Cc3ccc(C)cc3)c2)cc1 216738569 ITFJQLOQDYQRBV-QHCPKHFHSA-N 346.474 4.879 70 40 EJIB Cc1ccc(OCCCC(=O)NCCCc2ccc(Cl)cc2)cc1 218729601 URPAIILRVJPPOY-UHFFFAOYSA-N 345.870 4.556 70 40 EJIB Cc1nc2ccc(NC(=O)NC(C)(C)CC(C)(C)C)cc2nc1C 217302092 SBUIYKHLARCRKW-UHFFFAOYSA-N 328.460 4.583 70 40 EJIB Cc1ccc([C@H](C)NC(=O)CSCc2ccccc2C)cc1C 218017652 VVLUVKQTRAQHJO-KRWDZBQOSA-N 327.493 4.722 70 40 EJIB COc1ccc(-c2csc(Nc3ccc(C)c(C)c3)n2)cc1N 217685928 QHMIADVRMLIJNO-UHFFFAOYSA-N 325.437 4.761 70 40 EJIB CCc1ccc(-n2ccc([C@@H]3OCCN3c3ccccc3OC)c2)cc1 216722210 LNJUAMQFXVBPGI-QFIPXVFZSA-N 348.446 4.584 70 40 EJIB Cc1ccc(OCCCC(=O)N[C@H](C)c2cc(C)ccc2C)cc1 218729436 RVQONRHHUHSYHE-GOSISDBHSA-N 325.452 4.648 70 40 EJIB Cc1ccccc1-n1ccc([C@H]2SCC(=O)N2Cc2ccccc2)c1 216672896 SPZBFAXASQCIJS-OAQYLSRUSA-N 348.471 4.560 70 40 EJIB O=C(Nc1ccccc1)O[C@@H]1[C@@H]2CCC[C@@H]1[C@@H](N1CCCCC1)CC2 217422005 LURDPRCEUSFKGO-RSPOEFSDSA-N 342.483 4.668 70 40 EJIB CN(CCCNC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1 218167471 JONXFFINUZXLMU-UHFFFAOYSA-N 344.458 4.610 70 40 EJIB CC1(C)C[C@@H](NC(=O)/C=C/c2ccccc2Cl)c2ccccc2O1 217900617 DJSAOYAXGMFKIK-FMQWLBJXSA-N 341.838 4.772 70 40 EJIB COC(=O)c1c(C)n(C(=O)c2ccc(C(C)(C)C)cc2)c2ccccc12 216950673 QTJARUHCJUQZPE-UHFFFAOYSA-N 349.430 4.722 70 40 EJIB COc1ccc(C)cc1NC(=O)/C(=C/c1ccco1)c1ccccc1 218096791 BPWGITFXJBMYEB-NBVRZTHBSA-N 333.387 4.776 70 40 EJIB Cc1ccc(CCC(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)cc1 218535369 IELGVRDRHFNHEP-IBGZPJMESA-N 337.463 4.655 70 40 EJIB Cc1ccc(N2CCO[C@H]2c2ccn(-c3cccc(Cl)c3)c2)cc1 216718318 KUPKURJTQAHBTI-FQEVSTJZSA-N 338.838 4.975 70 40 EJIB CCCCOc1ccc(NC(=O)N2[C@H]3CC[C@H]2CC(SC)C3)cc1 217713722 VWTQUBQXSBCRHI-HOTGVXAUSA-N 348.512 4.756 70 40 EJIB CCc1ccc(N2CCO[C@@H]2c2ccn(-c3ccc(OC)cc3)c2)cc1 216730126 NLWUGEFUQVHKFG-JOCHJYFZSA-N 348.446 4.584 70 40 EJIB CSc1ccccc1C(=O)N[C@@H]1CC(C)(C)Oc2ccc(C)cc21 218192741 NFMOAULJHKNXAH-MRXNPFEDSA-N 341.476 4.749 70 40 EJIB Cc1ccc(/C=C/C(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)cc1 218180185 HPZRAGITNNLOIZ-FMAYLGMYSA-N 335.447 4.735 70 40 EJIB CCc1ccc(-n2ccc([C@@H]3OCCN3c3cccc(C)c3)c2)cc1 216716813 FXVJRXXKWUTJRI-QFIPXVFZSA-N 332.447 4.884 70 40 EJIB O=C(c1ccc2ncsc2c1)N1CCCC[C@@H](c2ccccc2)C1 217490258 BWQGIXYSSLKKMW-QGZVFWFLSA-N 336.460 4.706 70 40 EJIB COc1ccc2cc(-c3nnc(-c4ccccc4C)o3)c(C)nc2c1 216665186 OCOKJBFVNUVVEG-UHFFFAOYSA-N 331.375 4.577 70 40 EJIB Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1C 218678860 IUAJPZXFFXVCNM-CABCVRRESA-N 331.843 4.602 70 40 EJIB O=C(OC1CCCCC1)c1cccc(-c2cc3ccccc3oc2=O)c1 216937235 SWPUSXSFIDKVJQ-UHFFFAOYSA-N 348.398 4.950 70 40 EJIB COc1ccc(CN(C)C(=O)c2cc3c(ccc4ccccc43)o2)cc1 218493769 WNEDLPQJGZXRNQ-UHFFFAOYSA-N 345.398 4.867 70 40 EJIB CC[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1)c1ccc(C)cc1C 218679488 WFQLLUUMWFDLSI-BEFAXECRSA-N 345.870 4.992 70 40 EJIB CCOc1ccccc1-n1ccc([C@@H]2OCCN2c2cccc(C)c2)c1 216717495 JDWXUALSIOESFL-QFIPXVFZSA-N 348.446 4.720 70 40 EJIB Cc1ccc(OCC(=O)NCCCc2ccc(C(C)C)cc2)cc1C 218724203 JIEZKJPMCUDIPP-UHFFFAOYSA-N 339.479 4.555 70 40 EJIB Cc1ccc([C@H](C)NC(=O)CCCOc2ccc(Cl)cc2)cc1C 218737644 YPKKMBOWDCJNRJ-INIZCTEOSA-N 345.870 4.993 70 40 EJIB CCc1ccc2oc(C3=CCN(Cc4cccc(F)c4)CC3)nc2c1 216785403 CVVXBFQITBNXGV-UHFFFAOYSA-N 336.410 4.819 70 40 EJIB CC[C@@H](NC(=O)COc1ccc(C)c(C)c1)c1ccc(C)cc1C 218722853 SBWWLFHQLLPEIP-HXUWFJFHSA-N 325.452 4.567 70 40 EJIB Cc1ccc(SCCC(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1 218150084 NRLZJDSAIPQNGW-QGZVFWFLSA-N 327.493 4.971 70 40 EJIB CCOc1cc(C(=O)OC)ccc1OCc1cccc2ccccc12 216852937 ZPTNDAQXTNGVLN-UHFFFAOYSA-N 336.387 4.604 70 40 EJIB Clc1cccc(-n2ccc([C@H]3OCCN3Cc3ccccc3)c2)c1 216734488 IFOJCUURKFYBLW-HXUWFJFHSA-N 338.838 4.662 70 40 EJIB Cc1cccc(N2CCO[C@H]2c2ccn(-c3ccccc3Cl)c2)c1 216715487 CDRAGVHMTBBDHU-FQEVSTJZSA-N 338.838 4.975 70 40 EJIB Cc1ccccc1OC[C@@H](C)NC(=O)c1ccc(-c2ccccc2)cc1 218164479 HDTKYHJUIVJJCF-GOSISDBHSA-N 345.442 4.859 70 40 EJIB Cc1ccccc1CSCC(=O)NCCCc1ccc(Cl)cc1 218014159 WKIXRZBHNNGPQV-UHFFFAOYSA-N 347.911 4.631 70 40 EJIB CCCCCn1nc(C(=O)NC(C)(C)c2ccccc2)c2ccccc21 218735836 LCBASRYREGWIJT-UHFFFAOYSA-N 349.478 4.892 70 40 EJIB in-vitro Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)Cc1ccc(Cl)cc1 218529965 XCUMDCYPUYHZSC-KRWDZBQOSA-N 343.854 4.610 70 40 EJIB CC[C@@H](NC(=O)c1ccc(Br)cc1)c1ccc(C)cc1C 217870395 WVIJOFWGPKNRJT-QGZVFWFLSA-N 346.268 4.947 70 40 EJIB CCc1ccc(-n2ccc([C@H]3OCCN3c3ccc(C)cc3)c2)cc1 216719592 WVDKEZMTQSPIKF-JOCHJYFZSA-N 332.447 4.884 70 40 EJIB O=C(/C=C/c1ccc(Cl)cc1)NCCCc1ccccc1Cl 217957754 ZJAADLQFEPYRCK-FMIVXFBMSA-N 334.246 4.756 70 40 EJIB Cc1ccc(OC[C@H](C)NC(=O)c2ccc(-c3ccccc3)cc2)cc1 218164754 JSTAPCCPCNIOSM-SFHVURJKSA-N 345.442 4.859 70 40 EJIB Cc1ccc2c(c1)[C@H](NC(=O)c1cccc(Cl)c1)CC(C)(C)O2 217852765 XGEQRTAUEUHMCY-MRXNPFEDSA-N 329.827 4.681 70 40 EJIB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1cccc(Cl)c1 217852952 YEXQTHIEILZQNU-MRXNPFEDSA-N 329.827 4.681 70 40 EJIB CCc1ccc(N2CCO[C@@H]2c2ccn(-c3cccc(OC)c3)c2)cc1 216729580 KDQQMXOOOQIWEF-JOCHJYFZSA-N 348.446 4.584 70 40 EJIB CCc1ccc(N2CCO[C@@H]2c2ccn(-c3ccc(C)cc3)c2)cc1 216728891 HQUFQCFWFOPVSS-JOCHJYFZSA-N 332.447 4.884 70 40 EJIB Cc1cccc(CSCCNC(=O)/C=C/c2ccc(Cl)cc2)c1 217956907 DSHNSZSIPKVFKX-JXMROGBWSA-N 345.895 4.711 70 40 EJIB Cc1ccc(CN2CCO[C@@H]2c2ccn(-c3cccc(C)c3)c2)cc1 216736938 CRBXSNBUTXIMIJ-JOCHJYFZSA-N 332.447 4.625 70 40 EJIB Cc1ccc(CCC(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)cc1 218535164 BTNBORCNIDZDRA-IBGZPJMESA-N 337.463 4.655 70 40 EJIB Cc1ccc(-n2ccc([C@@H]3OCCN3Cc3cccc(C)c3)c2)cc1 216739840 ZUAXPSLNHKQPJW-QFIPXVFZSA-N 332.447 4.625 70 40 EJIB COc1ccccc1/C=C/C(=O)Nc1ccc(OC2CCCC2)cc1 217965861 ZFTBFEJJXHJOLG-XNTDXEJSSA-N 337.419 4.669 70 40 EJIB CC[C@@H](NC(=O)CSc1ccc(C)cc1)c1ccc(C)cc1C 217978330 ZTKUDTLXYXNKFH-LJQANCHMSA-N 327.493 4.971 70 40 EJIB CCCOc1ccccc1CCCNC(=O)/C=C/c1ccc(C)cc1 218179079 ACEZISLHDRNMJF-CCEZHUSRSA-N 337.463 4.546 70 40 EJIB Cc1ccc(CN2CCO[C@H]2c2ccn(-c3cccc(C)c3)c2)cc1 216736982 CRBXSNBUTXIMIJ-QFIPXVFZSA-N 332.447 4.625 70 40 EJIB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)/C=C/c1ccc(F)cc1 217913312 NINZNJYLJKVFGK-JGZYNSJSSA-N 339.410 4.566 70 40 EJIB CSc1ccccc1C(=O)Nc1ccccc1C(=O)c1ccccc1 218191863 PCXWARUWHAADTG-UHFFFAOYSA-N 347.439 4.892 70 40 EJIB Cc1ccc2c(c1)[C@@H](NC(=O)c1cccc(Cl)c1)CC(C)(C)O2 217852655 XGEQRTAUEUHMCY-INIZCTEOSA-N 329.827 4.681 70 40 EJIB CC[C@H](NC(=O)[C@@H](C)Oc1cccc(C)c1)c1ccc(C)c(C)c1 218689194 UMGJGKLKNQFIQW-XLIONFOSSA-N 325.452 4.647 70 40 EJIB CCOc1cccc(-n2ccc([C@H]3OCCN3c3cccc(C)c3)c2)c1 216717642 NYNNIMUXVNPPSD-JOCHJYFZSA-N 348.446 4.720 70 40 EJIB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)Cc1ccc(Cl)cc1 218530033 XCUMDCYPUYHZSC-QGZVFWFLSA-N 343.854 4.610 70 40 EJIB Nc1nnc(/C=C/c2ccc(OCc3cccc4ccccc34)cc2)o1 216893097 VOAUWTVGDDLQHW-JLHYYAGUSA-N 343.386 4.554 70 40 EJIB CCc1ccccc1-n1ccc([C@@H]2OCCN2Cc2cccc(C)c2)c1 216742013 TYLFAVUGSCFZOC-QHCPKHFHSA-N 346.474 4.879 70 40 EJIB Cc1ccc(SCC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1 217976403 HGQZWZYBNMGKQX-QGZVFWFLSA-N 341.476 4.506 70 40 EJIB CC[C@@H](NC(=O)Nc1ccccc1OC)c1ccc2c(c1)CCCC2 217267992 VWHYJLBIXHBJDA-GOSISDBHSA-N 338.451 4.847 70 40 EJIB Cc1ccc(/C=C/C(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)cc1 218180269 HPZRAGITNNLOIZ-RDELFYGPSA-N 335.447 4.735 70 40 EJIB CCc1ccc(-n2ccc([C@@H]3OCCN3Cc3ccccc3)c2)cc1 216735761 SMSAHUGDDVTBBB-QFIPXVFZSA-N 332.447 4.571 70 40 EJIB COc1ccc(/C=C/C(=O)NCCCc2ccc(C(C)C)cc2)cc1 217922124 DGXHFZHOTHRNNY-XNTDXEJSSA-N 337.463 4.581 70 40 EJIB CC(C)c1ccc(CCCNC(=O)COc2ccc(Cl)cc2)cc1 217833821 LJMMUFONPICVBN-UHFFFAOYSA-N 345.870 4.591 70 40 EJIB CC[C@@H](NC(=O)COc1ccc(Cl)cc1)c1ccc(C)cc1C 217832747 MUQLYOYBGUQRST-GOSISDBHSA-N 331.843 4.603 70 40 EJIB Cc1cccc(O[C@@H](C)C(=O)NCCCc2ccc(C(C)C)cc2)c1 218691465 BGNYBMHCIUKFQE-SFHVURJKSA-N 339.479 4.635 70 40 EJIB Cc1cccc(O[C@H](C)C(=O)Nc2ccc(OC3CCCC3)cc2)c1 218685705 WFVKMLPWTOUPMN-MRXNPFEDSA-N 339.435 4.722 70 40 EJIB Cc1ccc(S[C@@H](C)C(=O)NCCCc2ccc(Cl)cc2)cc1 218136050 YFGMQNVZHUSAML-HNNXBMFYSA-N 347.911 4.878 70 40 EJIB Cc1ccc(SCCC(=O)NCCCc2ccccc2Cl)cc1 218146853 NLYUBACBKGIYDY-UHFFFAOYSA-N 347.911 4.880 70 40 EJIB CCOC(=O)c1ccc(OCc2cccc3ccccc23)c(OC)c1 216852764 PBVHKBDSIKKRNY-UHFFFAOYSA-N 336.387 4.604 70 40 EJIB COc1ccc(/C=C/C(=O)Nc2ccc(OC3CCCC3)cc2)cc1 217917961 MNXQRHMTAHAAES-OVCLIPMQSA-N 337.419 4.669 70 40 EJIB CC[C@@H](NC(=O)[C@@H](C)Oc1cccc(C)c1)c1ccc(C)cc1C 218689469 NNWSZXUELZILLW-YLJYHZDGSA-N 325.452 4.647 70 40 EJIB CCc1ccccc1-n1ccc([C@H]2OCCN2c2ccc(C)cc2)c1 216719930 XGHTXDMCPOFNFW-JOCHJYFZSA-N 332.447 4.884 70 40 EJIB Cc1ccc(CN2CCO[C@@H]2c2ccn(-c3ccc(C)cc3)c2)cc1 216737048 CSSRFBZMGXSZMW-JOCHJYFZSA-N 332.447 4.625 70 40 EJIB CSc1ccccc1C(=O)N[C@@H]1CC(C)(C)Oc2cc(C)ccc21 218192921 NPXVBQUZCBPRSK-MRXNPFEDSA-N 341.476 4.749 70 40 EJIB CC[C@H](NC(=O)c1cc2cccc(OC)c2o1)c1ccc(C)cc1C 218618077 VPNSWYNUTQAHLM-KRWDZBQOSA-N 337.419 4.939 70 40 EJIB Cc1ccc(S[C@H](C)C(=O)NCCCc2ccccc2Cl)cc1 218135964 CENXBOWFKLXLFE-OAHLLOKOSA-N 347.911 4.878 70 40 EJIB O=C(NCCCc1ccc(F)cc1)/C(=C/c1ccco1)c1ccccc1 218102265 VNUUXMDAOHMZBO-LTGZKZEYSA-N 349.405 4.708 70 40 EJIB CSc1ccccc1C(=O)N[C@H]1CC(C)(C)Oc2cc(C)ccc21 218192988 NPXVBQUZCBPRSK-INIZCTEOSA-N 341.476 4.749 70 40 EJIB Cn1cc(CC(=O)N2CCCC[C@@H](c3ccccc3)C2)c2ccccc21 217287175 OBPFWJLFJUMCMN-LJQANCHMSA-N 346.474 4.517 70 40 EJIB CC[C@@H](NC(=O)c1ccc(Br)cc1)c1ccc(C)c(C)c1 217870217 SHHCQPTVBSFJKM-QGZVFWFLSA-N 346.268 4.947 70 40 EJIB CCc1ccccc1-n1ccc([C@@H]2OCCN2c2cccc(C)c2)c1 216717144 JEMJIOSLHHZIMP-QFIPXVFZSA-N 332.447 4.884 70 40 EJIB Cc1ccc2c(c1)[C@@H](NC(=S)Nc1ccccc1)CC(C)(C)O2 217936790 GIBLRTKSOVARKN-INIZCTEOSA-N 326.465 4.584 70 40 EJIB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1ccccc1 217936974 OCYGVDJJKGFWHY-INIZCTEOSA-N 326.465 4.584 70 40 EJIB Cc1cccc(N2CCO[C@H]2c2ccn(-c3ccc(Cl)cc3)c2)c1 216715719 VLKHJDVZJGCZPQ-FQEVSTJZSA-N 338.838 4.975 70 40 EJIB CCOc1ccccc1-n1ccc([C@H]2OCCN2c2cccc(C)c2)c1 216717540 JDWXUALSIOESFL-JOCHJYFZSA-N 348.446 4.720 70 40 EJIB Cc1ccc(/C=C/C(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)cc1 218180091 MSDBVKIWIYXJEV-RDELFYGPSA-N 335.447 4.735 70 40 EJIB Cc1nc(-c2ccccc2NC(=O)c2ccc3[nH]ccc3c2)cs1 218595596 HESLDLSXXYHPOI-UHFFFAOYSA-N 333.416 4.852 70 40 EJIB CCc1ccccc1-n1ccc([C@H]2OCCN2Cc2cccc(C)c2)c1 216742056 TYLFAVUGSCFZOC-HSZRJFAPSA-N 346.474 4.879 70 40 EJIB O=C(CCCc1ccccc1)N1CCCC[C@H](c2ccc(F)cc2)C1 217491978 ZALJOWFZKJMTIN-FQEVSTJZSA-N 339.454 4.945 70 40 EJIB CCOc1ccc(CCCNC(=O)/C=C/c2ccccc2Cl)cc1 217900808 BRQHHOZFVFCTCK-SDNWHVSQSA-N 343.854 4.501 70 40 EJIB CC(C)c1ccc(CCCNC(=O)CCCOc2ccccc2)cc1 218728892 SFHQLGHTICTRPW-UHFFFAOYSA-N 339.479 4.718 70 40 EJIB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)SCc2ccccc2)cc1C 218071345 YMDWSSKBYYLCHU-IAGOWNOFSA-N 327.493 4.803 70 40 EJIB COc1ccccc1/C=C/C(=O)NCCCc1ccc(C(C)C)cc1 217970113 QTYNBTCEFZSGAO-CCEZHUSRSA-N 337.463 4.581 70 40 EJIB CC[C@@H](NC(=O)CCCOc1ccccc1)c1ccc(C)c(C)c1 218727717 RABKVUKZNLNOPN-HXUWFJFHSA-N 325.452 4.730 70 40 EJIB Cc1ccc(OCCNC(=O)c2cc3c(ccc4ccccc43)o2)cc1 218497184 KBVVWRQPZOUPGN-UHFFFAOYSA-N 345.398 4.703 70 40 EJIB FC(F)(F)c1cncnc1N(Cc1ccccc1)Cc1ccccc1 218730001 QKXSPNJPRVVZLA-UHFFFAOYSA-N 343.352 4.702 70 40 EJIB Cc1ccc(S[C@H](C)C(=O)NCCCc2ccc(Cl)cc2)cc1 218136122 YFGMQNVZHUSAML-OAHLLOKOSA-N 347.911 4.878 70 40 EJIB O=C(OC1CCCCC1)c1ccc(-c2cc3ccccc3oc2=O)cc1 216937256 GQFYLSQKRPJXOB-UHFFFAOYSA-N 348.398 4.950 70 40 EJIB CCOc1ccc(CCCNC(=O)c2ccc(C(C)(C)C)cc2)cc1 217857941 CUZNOYKTCROFKC-UHFFFAOYSA-N 339.479 4.745 70 40 EJIB Cc1cc2nc(C3=CCN(Cc4cccc(F)c4)CC3)oc2cc1C 216785473 FDVUWDVPVWUNLK-UHFFFAOYSA-N 336.410 4.873 70 40 EJIB CC[C@H](NC(=O)COc1ccc(Cl)cc1)c1ccc(C)cc1C 217832835 MUQLYOYBGUQRST-SFHVURJKSA-N 331.843 4.603 70 40 EJIB Cc1cc2nc(C3=CCN(Cc4ccccc4F)CC3)oc2cc1C 216784359 NACGQVKYJCMDBM-UHFFFAOYSA-N 336.410 4.873 70 40 EJIB CC[C@@H](NC(=O)COc1ccc(Cl)cc1)c1ccc(C)c(C)c1 217832566 UVKGZPYAEDFNDL-GOSISDBHSA-N 331.843 4.603 70 40 EJIB COc1ccccc1CCCNC(=O)c1ccc(-c2ccccc2)cc1 218164156 UXCMAWNWWIGYRC-UHFFFAOYSA-N 345.442 4.725 70 40 EJIB CC[C@H](NC(=O)CSc1ccc(C)cc1)c1ccc(C)cc1C 217978402 ZTKUDTLXYXNKFH-IBGZPJMESA-N 327.493 4.971 70 40 EJIB CCOc1ccccc1-n1ccc([C@@H]2OCCN2c2ccc(C)cc2)c1 216720207 XUIRYCIURJTHFY-QFIPXVFZSA-N 348.446 4.720 70 40 EJIB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1ccccc1 217937053 OCYGVDJJKGFWHY-MRXNPFEDSA-N 326.465 4.584 70 40 EJIB Cc1ccc(S[C@@H](C)C(=O)N[C@H](C)c2cc(C)ccc2C)cc1 218135712 CPEPNYVVNRGEGX-SJORKVTESA-N 327.493 4.970 70 40 EJIB Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1C 218678779 IUAJPZXFFXVCNM-LSDHHAIUSA-N 331.843 4.602 70 40 EJIB CCc1ccc(-n2ccc([C@H]3OCCN3c3ccccc3OC)c2)cc1 216722253 LNJUAMQFXVBPGI-JOCHJYFZSA-N 348.446 4.584 70 40 EJIB CC[C@H](NC(=O)[C@H](C)Oc1cccc(C)c1)c1ccc(C)cc1C 218689713 NNWSZXUELZILLW-PXNSSMCTSA-N 325.452 4.647 70 40 EJIB CCc1ccccc1-n1ccc([C@H]2OCCN2c2cccc(OC)c2)c1 216725284 FDWCSANBMFTNLA-JOCHJYFZSA-N 348.446 4.584 70 40 EJIB CCCCn1c(C)c(C(=O)OCC)c2cc(OCC(C)C)ccc21 217765477 ZPZQIWQMIITYFS-UHFFFAOYSA-N 331.456 4.961 70 40 EJIB CC1(C)C[C@H](NC(=O)CCSc2ccccc2)c2ccccc2O1 218080807 SWDIIDPVPHZXPY-KRWDZBQOSA-N 341.476 4.587 70 40 EJIB C[C@@H](Sc1ccccc1)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 218057233 RBYGOKHYONWXTO-RHSMWYFYSA-N 341.476 4.586 70 40 EJIB Fc1ccc(N2CCO[C@H]2c2ccn(-c3ccccc3Cl)c2)cc1 216731701 TZHSFTAKVFSSPG-IBGZPJMESA-N 342.801 4.805 70 40 EJIB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1C 218678694 IUAJPZXFFXVCNM-HUUCEWRRSA-N 331.843 4.602 70 40 EJIB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(Cl)cc1 217850230 STVYCXXGOOKMCC-INIZCTEOSA-N 329.827 4.681 70 40 EJIB CC[C@H](NC(=O)c1cc2cccc(OC)c2o1)c1ccc(C)c(C)c1 218617901 DUVCPGKEUBEXQH-KRWDZBQOSA-N 337.419 4.939 70 40 EJIB CCOc1ccc(-n2ccc([C@@H]3OCCN3c3ccc(C)cc3)c2)cc1 216719438 PAAZGFWBKFMJFT-QFIPXVFZSA-N 348.446 4.720 70 40 EJIB Cc1cccc(CN2CCO[C@H]2c2ccn(-c3ccccc3C)c2)c1 216739652 QEPKQLLDONDVRX-QFIPXVFZSA-N 332.447 4.625 70 40 EJIB CC[C@H](NC(=O)CSCc1ccccc1)c1ccc(C)c(C)c1 218011052 GNMKQYJBQRSCLN-IBGZPJMESA-N 327.493 4.804 70 40 EJIB CC[C@@H](NC(=O)COc1cc(C)cc(C)c1)c1ccc(C)cc1C 218695250 JQFUYRGBAYUPAC-HXUWFJFHSA-N 325.452 4.567 70 40 EJIB CCc1ccc(N2CCO[C@H]2c2ccn(-c3ccccc3OC)c2)cc1 216730083 RLQGXZHBXXSPCD-QFIPXVFZSA-N 348.446 4.584 70 40 EJIB O=C(Cc1c[nH]c2ccccc12)N1CCCC[C@@H](c2ccccc2)C1 217490439 YZUHOWGFKMCNJM-GOSISDBHSA-N 332.447 4.507 70 40 EJIB Cc1ccc(CSCC(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1 218024128 OEJZHIJEOUCSDF-QGZVFWFLSA-N 327.493 4.722 70 40 EJIB O=C(CSCc1ccccc1)Nc1ccc(OC2CCCC2)cc1 218008990 ZKPAFJFERQRHKM-UHFFFAOYSA-N 341.476 4.880 70 40 EJIB Fc1ccc(N2CCO[C@H]2c2ccn(-c3ccc(Cl)cc3)c2)cc1 216731915 XVUYVDQEUQNMSD-IBGZPJMESA-N 342.801 4.805 70 40 EJIB CC[C@@H](NC(=O)CSCc1ccccc1)c1ccc(C)c(C)c1 218010958 GNMKQYJBQRSCLN-LJQANCHMSA-N 327.493 4.804 70 40 EJIB CO[C@@H](CNC(=O)c1cc2ccccc2s1)c1ccccc1Cl 218327170 FPJLQIHYSRJSIG-HNNXBMFYSA-N 345.851 4.672 70 40 EJIB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CSc1ccccc1 217972843 WZYVXJYKWFOAFK-KRWDZBQOSA-N 341.476 4.506 70 40 EJIB CCc1ccccc1-n1ccc([C@@H]2OCCN2Cc2ccccc2)c1 216736117 FWYBCSJNZHQWCH-QFIPXVFZSA-N 332.447 4.571 70 40 EJIB Fc1ccc(N2CCO[C@@H]2c2ccn(-c3ccc(Cl)cc3)c2)cc1 216731868 XVUYVDQEUQNMSD-LJQANCHMSA-N 342.801 4.805 70 40 EJIB CC[C@@H](NC(=O)c1cc2cccc(OC)c2o1)c1ccc(C)c(C)c1 218617821 DUVCPGKEUBEXQH-QGZVFWFLSA-N 337.419 4.939 70 40 EJIB Cc1ccc(C)c([C@H](C)NC(=O)CCCOc2ccc(Cl)cc2)c1 218735082 LIOOUELPVUZTBM-INIZCTEOSA-N 345.870 4.993 70 40 EJIB O=C(Cc1ccc(Cl)cc1)Nc1ccccc1C(=O)c1ccccc1 218528697 WBKWJMPJHJMZKL-UHFFFAOYSA-N 349.817 4.752 70 40 EJIB CCc1ccc(-n2ccc([C@H]3OCCN3c3cccc(C)c3)c2)cc1 216716865 FXVJRXXKWUTJRI-JOCHJYFZSA-N 332.447 4.884 70 40 EJIB Cc1ccc2c(c1)[C@@H](NC(=O)c1ccccc1Cl)CC(C)(C)O2 217846997 RFPCJFXKFNFDKA-INIZCTEOSA-N 329.827 4.681 70 40 EJIB C[Si](Cl)(Cl)CCCOC(F)(C(F)(F)F)C(F)(F)F 169806475 KSKFRQOKQUPWQL-UHFFFAOYSA-N 341.126 4.733 70 40 EJIB CCOc1ccc(-n2ccc([C@@H]3OCCN3c3cccc(C)c3)c2)cc1 216716710 ULXLCBUPLZVIRS-QFIPXVFZSA-N 348.446 4.720 70 40 EJIB CC[C@H](NC(=O)CCCOc1ccccc1)c1ccc(C)cc1C 218727963 TWSHQCBFBMZHAU-FQEVSTJZSA-N 325.452 4.730 70 40 EJIB Clc1ccc(-n2ccc([C@H]3OCCN3Cc3ccccc3)c2)cc1 216734606 RXBMGVCLBLMAEJ-HXUWFJFHSA-N 338.838 4.662 70 40 EJIB CC(C)c1ccc(CCCNC(=O)CSCc2ccccc2)cc1 218013074 ASHBUAXEHDQSPM-UHFFFAOYSA-N 341.520 4.792 70 40 EJIB Cc1ccc(S[C@H](C)C(=O)N[C@@H](C)c2cc(C)ccc2C)cc1 218135620 CPEPNYVVNRGEGX-DLBZAZTESA-N 327.493 4.970 70 40 EJIB C[C@H](SCc1ccccc1)C(=O)NCCCc1ccccc1Cl 218065751 LBKMBAGWPLFYJY-HNNXBMFYSA-N 347.911 4.711 70 40 EJIB CC(C)c1ccc(CCCNC(=O)/C=C/c2ccc(F)cc2)cc1 217916472 LWBUJYIZAMNUCC-NTEUORMPSA-N 325.427 4.711 70 40 EJIB O=C(NCC1(c2ccsc2)CCCC1)c1ccc2ncsc2c1 217582511 MZWIVHLCLBPHSL-UHFFFAOYSA-N 342.489 4.600 70 40 EJIB CCc1ccc(-n2ccc([C@@H]3OCCN3c3ccc(C)cc3)c2)cc1 216719552 WVDKEZMTQSPIKF-QFIPXVFZSA-N 332.447 4.884 70 40 EJIB CC(C)c1ccc(-c2nn3c(Cc4ccccc4)nnc3s2)cc1 216756673 GNMLMDDIFKMDNU-UHFFFAOYSA-N 334.448 4.567 70 40 EJIB CCc1ccc2oc(C3=CCN(Cc4ccccc4F)CC3)nc2c1 216784297 LOFFNIAXCFIBCC-UHFFFAOYSA-N 336.410 4.819 70 40 EJIB O=C(c1cccs1)N1CCS[C@H]1c1ccc(Cl)c(Cl)c1 217640785 LEUKHDNGHGKPKE-AWEZNQCLSA-N 344.288 4.943 70 40 EJIB Cc1ccc2c(c1)[C@H](NC(=O)Cc1ccc(Cl)cc1)CC(C)(C)O2 218529841 YHUYGGXJLWKGEJ-QGZVFWFLSA-N 343.854 4.610 70 40 EJIB COC(=O)c1c(C)n(C(=O)c2cccc3ccccc23)c2ccccc12 216950996 QJMBXUJYLUWUJZ-UHFFFAOYSA-N 343.382 4.578 70 40 EJIB CCc1ccccc1-n1ccc([C@H]2OCCN2c2cccc(C)c2)c1 216717188 JEMJIOSLHHZIMP-JOCHJYFZSA-N 332.447 4.884 70 40 EJIB CO[C@H](CNC(=O)c1cc2ccccc2s1)c1ccccc1Cl 218327257 FPJLQIHYSRJSIG-OAHLLOKOSA-N 345.851 4.672 70 40 EJIB Cc1ccc(CCC(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)cc1 218535079 BTNBORCNIDZDRA-LJQANCHMSA-N 337.463 4.655 70 40 EJIB CCCCCCCCOC(=O)Nc1ccc(S(=O)(=O)Cl)cc1 95698238 AFJNRRWMIYNQCI-UHFFFAOYSA-N 347.864 4.523 70 40 EJIB COC(=O)c1cc(-c2ccc3c4c(cccc24)CC3)nc2ccccc12 216941914 YPCRXNWKEMNXQL-UHFFFAOYSA-N 339.394 4.940 70 40 EJIB CC1(C)C[C@@H](NC(=O)/C=C/c2ccc(Cl)cc2)c2ccccc2O1 217958976 UDAOSAFCLDYJIQ-XLNAKTSKSA-N 341.838 4.772 70 40 EJIB C[C@@H](Sc1ccccc1)C(=O)NCCCc1ccccc1Cl 218055541 AUEUQSVZGAFIMP-CQSZACIVSA-N 333.884 4.570 70 40 EJIB CCCCOc1ccc2c(c1)c(C(=O)OCC)c(C)n2CC(C)C 217766522 CELQKFZXBXJBQZ-UHFFFAOYSA-N 331.456 4.961 70 40 EJIB COc1ccc(NC(=O)c2occc2-c2ccc(F)cc2)cc1C 160264544 BREXSKGCHAAHPA-UHFFFAOYSA-N 325.339 4.655 70 40 EJIB CC[C@H](NC(=O)c1ccccc1Br)c1ccc(C)c(C)c1 218222454 HTYMSJJPTCSGNS-KRWDZBQOSA-N 346.268 4.947 70 40 EJIB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(OC3CCCC3)cc2)c1 218685627 WFVKMLPWTOUPMN-INIZCTEOSA-N 339.435 4.722 70 40 EJIB CC[C@@H](NC(=O)CCCOc1ccccc1)c1ccc(C)cc1C 218727889 TWSHQCBFBMZHAU-HXUWFJFHSA-N 325.452 4.730 70 40 EJIB CC[C@@H](NC(=O)CSCc1ccccc1)c1ccc(C)cc1C 218011159 QINFWJYIOKLHMF-LJQANCHMSA-N 327.493 4.804 70 40 EJIB Cc1ccc(S[C@@H](C)C(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1 218141621 HVWZWFISJIFORP-SJORKVTESA-N 327.493 4.970 70 40 EJIB CSc1ccccc1C(=O)NCC1(c2ccsc2)CCCC1 217481646 OGASVMYNMRVAAS-UHFFFAOYSA-N 331.506 4.712 70 40 EJIB CCc1ccc(-n2ccc([C@H]3OCCN3Cc3ccccc3)c2)cc1 216735807 SMSAHUGDDVTBBB-JOCHJYFZSA-N 332.447 4.571 70 40 EJIB CCc1ccc(N2CCO[C@@H]2c2ccn(-c3ccccc3OC)c2)cc1 216730039 RLQGXZHBXXSPCD-JOCHJYFZSA-N 348.446 4.584 70 40 EJIB CCc1ccc(-n2ccc([C@H]3OCCN3Cc3cccc(C)c3)c2)cc1 216741332 KKBZHFSDEYBELY-HSZRJFAPSA-N 346.474 4.879 70 40 EJIB CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1)c1ccc(C)c(C)c1 218679046 VHSDCVSKKHDVFZ-DNVCBOLYSA-N 345.870 4.992 70 40 EJIB CC[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1)c1ccc(C)c(C)c1 218679208 VHSDCVSKKHDVFZ-HNAYVOBHSA-N 345.870 4.992 70 40 EJIB Cn1cc(CC(=O)N2CCCC[C@H](c3ccccc3)C2)c2ccccc21 217287173 OBPFWJLFJUMCMN-IBGZPJMESA-N 346.474 4.517 70 40 EJIB Cc1cc(C)c2oc(C3=CCN(Cc4cccc(F)c4)CC3)nc2c1 216785545 SPSOVSFZRKFCJX-UHFFFAOYSA-N 336.410 4.873 70 40 EJIB CCCOc1ccccc1CCCNC(=O)c1ccccc1SC 218192032 USEAQMAXTUODNG-UHFFFAOYSA-N 343.492 4.560 70 40 EJIB Cc1ccc(N2CCO[C@@H]2c2ccn(-c3ccc(Cl)cc3)c2)cc1 216718387 YHZSUGPZLOOTEW-HXUWFJFHSA-N 338.838 4.975 70 40 EJIB CC[C@H](NC(=O)COc1ccc(Cl)cc1)c1ccc(C)c(C)c1 217832624 UVKGZPYAEDFNDL-SFHVURJKSA-N 331.843 4.603 70 40 EJIB CC[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1)c1ccc(C)cc1C 218679565 WFQLLUUMWFDLSI-HNAYVOBHSA-N 345.870 4.992 70 40 EJIB Cc1ccc(CSCC(=O)NCCCc2ccccc2Cl)cc1 218020714 MFRPCSMCZWDOKS-UHFFFAOYSA-N 347.911 4.631 70 40 EJIB Cc1ccc(-c2nc(S(=O)(=O)Cl)c(-c3ccccc3)s2)cc1 100103143 OLQPNZULJFKHNQ-UHFFFAOYSA-N 349.864 4.713 70 40 EJIB CSC1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1ccc(C(F)(F)F)cc1 217711659 SOLLFFARTPFBCY-PBWFPOADSA-N 344.402 4.596 70 40 EJIB Cc1cc(C)cc(OCC(=O)Nc2ccc(OC3CCCC3)cc2)c1 218693117 FXDWDVAPALZLRT-UHFFFAOYSA-N 339.435 4.642 70 40 EJIB CCc1ccc(-n2ccc([C@H]3OCCN3c3ccc(F)cc3)c2)cc1 216733033 MQKMGVJTDCFRAN-OAQYLSRUSA-N 336.410 4.714 70 40 EJIB CCOc1cccc(-n2ccc([C@@H]3OCCN3c3cccc(C)c3)c2)c1 216717604 NYNNIMUXVNPPSD-QFIPXVFZSA-N 348.446 4.720 70 40 EJIB Cc1ccc(N2CCO[C@H]2c2ccn(-c3ccc(Cl)cc3)c2)cc1 216718434 YHZSUGPZLOOTEW-FQEVSTJZSA-N 338.838 4.975 70 40 EJIB S=C(NCCSCc1cccc(Cl)c1)Nc1ccccc1 217934379 GLTGDAJKTMBGCF-UHFFFAOYSA-N 336.913 4.560 70 40 EJIB CC[C@@H](NC(=O)c1cc2cccc(OC)c2o1)c1ccc(C)cc1C 218618011 VPNSWYNUTQAHLM-QGZVFWFLSA-N 337.419 4.939 70 40 EJIB CC[C@@H](NC(=O)[C@H](C)Oc1cccc(C)c1)c1ccc(C)c(C)c1 218689274 UMGJGKLKNQFIQW-FXAWDEMLSA-N 325.452 4.647 70 40 EJIB Cc1ccc(CCC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1 218533497 GSAVIJDSCAJCGQ-UHFFFAOYSA-N 343.426 4.797 70 40 EJIB Cc1ccc2c(c1)[C@@H](NC(=O)CSc1ccccc1)CC(C)(C)O2 217972670 YZGKEFDKPLFVTH-KRWDZBQOSA-N 341.476 4.506 70 40 EJIB COc1ccc(CN(C)C(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1 217948964 OZPAAWADDKKIAA-XNTDXEJSSA-N 337.463 4.665 70 40 EJIB C[C@H](Sc1ccccc1)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 218057419 RBYGOKHYONWXTO-YOEHRIQHSA-N 341.476 4.586 70 40 EJIB CC1(C)C[C@@H](NC(=O)CCSc2ccccc2)c2ccccc2O1 218080729 SWDIIDPVPHZXPY-QGZVFWFLSA-N 341.476 4.587 70 40 EJIB CC[C@@H](NC(=O)[C@@H](C)Oc1cccc(C)c1)c1ccc(C)c(C)c1 218689110 UMGJGKLKNQFIQW-YLJYHZDGSA-N 325.452 4.647 70 40 EJIB Cc1ccc(SCC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1 217976477 HGQZWZYBNMGKQX-KRWDZBQOSA-N 341.476 4.506 70 40 EJIB Cc1ccc(OCCCC(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1 218732260 PGMSSEHQSYVDBR-GOSISDBHSA-N 325.452 4.648 70 40 EJIB CCc1ccccc1-n1ccc([C@@H]2OCCN2Cc2ccc(C)cc2)c1 216738898 QKWBWAUHNUNYIQ-QHCPKHFHSA-N 346.474 4.879 70 40 EJIB COC(=O)c1cc(C)c(OC(=O)c2ccc(C(C)(C)C)cc2)c(C)c1 216726460 IKHIAFOQNKTMRU-UHFFFAOYSA-N 340.419 4.607 70 40 EJIB Cc1ccc([C@H](C)NC(=O)[C@H](C)SCc2ccccc2)cc1C 218071568 YMDWSSKBYYLCHU-IRXDYDNUSA-N 327.493 4.803 70 40 EJIB CCc1ccc(N2CCO[C@H]2c2ccn(-c3ccc(F)cc3)c2)cc1 216729516 JOWGQOVZWPMMAJ-NRFANRHFSA-N 336.410 4.714 70 40 EJIB CSC1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-c2cccs2)cc1 217589408 KWOOPPFHTUIDMR-SJPCQFCGSA-N 343.517 4.914 70 40 EJIB Cc1ccc2c(c1)[C@H](NC(=O)CSc1ccccc1)CC(C)(C)O2 217972751 YZGKEFDKPLFVTH-QGZVFWFLSA-N 341.476 4.506 70 40 EJIB O=C(NCCSc1ccccc1)/C(=C/c1ccco1)c1ccccc1 218094725 QPHWPMUUNLJOSP-CAPFRKAQSA-N 349.455 4.729 70 40 EJIB C[C@H](Sc1ccccc1)C(=O)NCCCc1ccccc1Cl 218055604 AUEUQSVZGAFIMP-AWEZNQCLSA-N 333.884 4.570 70 40 EJIB CCc1ccc(N2CCO[C@H]2c2ccn(-c3ccc(C)cc3)c2)cc1 216728939 HQUFQCFWFOPVSS-QFIPXVFZSA-N 332.447 4.884 70 40 EJIB Cc1ccc(N2CCO[C@H]2c2ccn(-c3ccccc3Cl)c2)cc1 216718209 OUBAFNLBPSUMMG-FQEVSTJZSA-N 338.838 4.975 70 40 EJIB CCc1ccccc1-n1ccc([C@H]2OCCN2Cc2ccc(C)cc2)c1 216738945 QKWBWAUHNUNYIQ-HSZRJFAPSA-N 346.474 4.879 70 40 EJIB CCOc1ccc(-n2ccc([C@H]3OCCN3c3cccc(C)c3)c2)cc1 216716754 ULXLCBUPLZVIRS-JOCHJYFZSA-N 348.446 4.720 70 40 EJIB C[C@H](SCc1ccccc1)C(=O)NCCCc1ccc(Cl)cc1 218065933 HQXKIDDQEZMGQJ-HNNXBMFYSA-N 347.911 4.711 70 40 EJIB O=C(CCSc1ccccc1)NCCCc1ccccc1Cl 218079436 DLZKDGSOSVGLRI-UHFFFAOYSA-N 333.884 4.571 70 40 EJIB CCc1ccc(N2CCO[C@@H]2c2ccn(-c3cccc(C)c3)c2)cc1 216728796 SHFUTBBBCPILOR-JOCHJYFZSA-N 332.447 4.884 70 40 EJIB Cc1ccc(C)c([C@H](C)NC(=O)[C@@H](C)SCc2ccccc2)c1 218065405 VGRFLFXMFFDVBM-DLBZAZTESA-N 327.493 4.803 70 40 EJIB Cc1ccc([C@@H](C)NC(=O)CCCOc2ccc(Cl)cc2)cc1C 218737594 YPKKMBOWDCJNRJ-MRXNPFEDSA-N 345.870 4.993 70 40 EJIB O=C(CCCOc1ccccc1)Nc1ccc(OC2CCCC2)cc1 218725736 PYZMNHCXBOVNAW-UHFFFAOYSA-N 339.435 4.806 70 40 EJIB CCc1ccccc1-n1ccc([C@@H]2OCCN2c2ccc(F)cc2)c1 216733326 MCWPKLDVBVBKPI-NRFANRHFSA-N 336.410 4.714 70 40 EJIB Cc1ccc(SCCC(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1 218150005 NRLZJDSAIPQNGW-KRWDZBQOSA-N 327.493 4.971 70 40 EJIB Cc1ccc(S[C@@H](C)C(=O)NCCCc2ccccc2Cl)cc1 218135889 CENXBOWFKLXLFE-HNNXBMFYSA-N 347.911 4.878 70 40 EJIB Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1C 218678936 IUAJPZXFFXVCNM-GJZGRUSLSA-N 331.843 4.602 70 40 EJIB C[C@@H](SCc1ccccc1)C(=O)NCCCc1ccccc1Cl 218065677 LBKMBAGWPLFYJY-OAHLLOKOSA-N 347.911 4.711 70 40 EJIB Cc1ccc2c(c1)[C@@H](NC(=O)/C=C/c1ccc(F)cc1)CC(C)(C)O2 217913057 WALIHMMCEPQOMQ-DBEXCURXSA-N 339.410 4.566 70 40 EJIB CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1)c1ccc(C)cc1C 218679407 WFQLLUUMWFDLSI-DNVCBOLYSA-N 345.870 4.992 70 40 EJIB O=C(c1nc2ccccc2s1)N1CCCC[C@@H](c2ccccc2)C1 217287882 JAYAKONJVAXPPW-MRXNPFEDSA-N 336.460 4.706 70 40 EJIB Cc1cccc(N2CCO[C@@H]2c2ccn(-c3cccc(Cl)c3)c2)c1 216715560 BLFWEZARTJNPEQ-HXUWFJFHSA-N 338.838 4.975 70 40 EJIB CC[C@H](NC(=O)COc1ccc(C)c(C)c1)c1ccc(C)c(C)c1 218722744 VGKTUXCKPGARQG-FQEVSTJZSA-N 325.452 4.567 70 40 EJIB CCc1ccc(N2CCO[C@H]2c2ccn(-c3cccc(OC)c3)c2)cc1 216729634 KDQQMXOOOQIWEF-QFIPXVFZSA-N 348.446 4.584 70 40 EJIB