smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1ccc2nc(-c3ccc(OC[C@@H](O)CNC(C)(C)C)cc3)n(C)c(=O)c2c1 1849391 NJLURZOPCFJTSE-INIZCTEOSA-N 411.502 2.737 0 30 HFAC COC(=O)c1csc(S(=O)(=O)N=[S@](C)(=O)c2ccc(C)cc2)c1OC 13466462 OTCGYAFIUVQXCQ-XMMPIXPASA-N 403.503 2.697 0 30 HFAC CCOC(=O)c1cnn(-c2ncc(C(=O)OC)c(C(F)(F)F)n2)c1C(F)(F)F 1027905 DQAXNAJWDFKJQB-UHFFFAOYSA-N 412.246 2.663 0 30 HFAC CN1C(C(=O)Nc2ccccn2)=C(OC(=O)C(C)(C)C)c2ccccc2S1(=O)=O 608034 LGDAGYXJBDILKZ-UHFFFAOYSA-N 415.471 2.612 0 30 HFAC Cc1cn([C@H]2C[C@H](F)[C@@H](COC(=O)c3ccc(-c4ccccc4)cc3)O2)c(=O)[nH]c1=O 96347199 XRYDBTRNIMQKHS-XUVXKRRUSA-N 424.428 2.995 0 30 HFAC O=C1C(SCCO)=C(SCCO)C(=O)N1c1ccc(-c2ccccc2)cc1 6733272 RFZCIUONZTUZER-UHFFFAOYSA-N 401.509 2.889 0 30 HFAC O=C(O)c1nccnc1C(=O)N1CCCN(c2nc3ccc(Cl)cc3s2)CC1 1030117 MLGIWAABQSWCCF-UHFFFAOYSA-N 417.878 2.790 0 30 HFAC CC(=O)c1ccc(OC[C@H](O)CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 20421528 VDNKERVMQDDWGS-GOSISDBHSA-N 423.435 2.865 0 30 HFAC O=C(CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1ccc2c(c1)OCO2 4324249 CTDLGEVBOYEYJE-UHFFFAOYSA-N 408.380 2.590 0 30 HFAC COc1ccc(Br)c(OC)c1C(=O)NC(=O)Nc1nc(C)cc(C)n1 1031276 SGLDSZOBKQOHAC-UHFFFAOYSA-N 409.240 2.835 0 30 HFAC COC(=O)[C@H](C=NOCc1ccc([N+](=O)[O-])cc1)NC(=O)c1cccc(Cl)c1 254821871 NCOBZTIUAMFQRW-INIZCTEOSA-N 405.794 2.722 0 30 HFAC Cc1ccc(S(=O)(=O)NC(=O)NCC2CCN(C(=O)OC(C)(C)C)CC2)cc1 1030279 QARBOESVSWTWCH-UHFFFAOYSA-N 411.524 2.630 0 30 HFAC Cc1nn(-c2ccccc2)nc1CNS(=O)(=O)c1ccc(-c2ccno2)s1 12368819 FPBAQFPIFIWEKI-UHFFFAOYSA-N 401.473 2.771 0 30 HFAC COc1ccc([C@H]2[C@H]3CCc4ccccc4C3=NN2C(=O)CN2CCN(C)CC2)cc1 19835237 UJVVWGZXMYDGMZ-DHLKQENFSA-N 418.541 2.793 0 30 HFAC O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CC(=O)N(CCc2ccc(Cl)cc2)C1 1035219 RNEUGNHNGRYZDE-MRXNPFEDSA-N 400.862 2.776 0 30 HFAC COc1cc2nc(N3CCN(C(=O)Nc4ccccc4)CC3)nc(N)c2cc1OC 25962757 LWEWMCLJACLWLE-UHFFFAOYSA-N 408.462 2.583 0 30 HFAC COc1cc(O)c(C2=CC3=NNC(=O)[C@@H]3[C@H](c3ccc4c(c3)OCO4)C2)c(OC)c1 101167683 PARAJVFQZBQLAV-LHSJRXKWSA-N 408.410 2.811 0 30 HFAC COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CCN3CCCCC3)C2=O)cc1 5733284 HVYGXNYMNHSBGD-UHFFFAOYSA-N 423.513 2.985 0 30 HFAC in-vitro CCCC[Sn](CCCC)(OC[C@H](C)NCCN)OC(C)=O 196005107 ASSRYCKRDFVJIF-OUTKXMMCSA-M 409.159 2.545 0 30 HFAC CN(C)c1cccc2c(S(=O)(=O)Oc3ccc(C[C@H](N)C(=O)O)cc3)cccc12 2390983 PQNLCRQPGFBGJF-SFHVURJKSA-N 414.483 2.628 0 30 HFAC COc1cc(C(=O)CC(=O)N2CCN(Cc3ccccc3)CC2)cc(OC)c1OC 31572055 HWYPZERFZFAABB-UHFFFAOYSA-N 412.486 2.630 0 30 HFAC CC1(C)S[C@@H]2[C@H](NC(=O)C3(c4cccc(Cl)c4)CCCC3)C(=O)N2[C@H]1C(=O)O 33893256 JKSIWIYPLDQUQF-IJEWVQPXSA-N 422.934 2.784 0 30 HFAC COC(=O)[C@@H]1C[C@H](OC(=O)N2Cc3cccc(F)c3C2)CN1C(=O)OC(C)(C)C 146034473 RAVLOADXRPYFMO-BBRMVZONSA-N 408.426 2.829 0 30 HFAC C[Si](C)(C)CCOCN1C(=O)CNc2ncc(I)cc21 2265384736 RVUJOLURBVLBNF-UHFFFAOYSA-N 405.312 2.757 0 30 HFAC CC[C@@H]1CN2CC[C@]3(O)C(=Nc4cccc(OC)c43)[C@H]2C[C@@H]1/C(=C\OC)C(=O)OC 575418541 RYENLSMHLCNXJT-FGBJXFJZSA-N 414.502 2.793 0 30 HFAC in-vitro CON=C(C)c1noc(C)c1C(=O)Nc1ccc(I)cn1 254371909 IDBXMZSZPACNAG-UHFFFAOYSA-N 400.176 2.605 0 30 HFAC O=C(O)CN(CCN1CCOCC1)C(=O)OCC1c2ccccc2-c2ccccc21 725240553 NBDFUQVVSCFESF-UHFFFAOYSA-N 410.470 2.654 0 30 HFAC COC(=O)[C@](NC(=O)CC(C)C)(Nc1ccc(Br)cn1)C(F)(F)F 33347296 YNZLNVWXHLUATD-CYBMUJFWSA-N 412.206 2.850 0 30 HFAC C[C@H]1[C@H](N)CN1c1cc2c(cc1F)c(=O)c(C(=O)O)cn2-c1ccc(F)cc1F 3779887 LTDOHCZUKCZDEQ-BJOHPYRUSA-N 403.360 2.642 0 30 HFAC investigational O=S(=O)(NC1CCN(Cc2c(F)cccc2Cl)CC1)c1cccc2nonc12 6156829 VUDSNAPJGFUKHK-UHFFFAOYSA-N 424.885 2.958 0 30 HFAC NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(-c3ccc(Cl)cc3)[nH]2)cc1 725712442 WYIPIQNZSUEGRH-UHFFFAOYSA-N 403.891 2.955 0 30 HFAC CC(=O)N1CCN([C@H]2CCC[C@@H](NC(=O)c3cc4c(F)ccc(C)c4[nH]3)C2)CC1 1857792359 PGNLXEBQMQHFNK-SJORKVTESA-N 400.498 2.821 0 30 HFAC O=S(=O)(CCN1CCN(c2ccccn2)CC1)c1ccc(Cl)cc1Cl 19834776 PJMDRZUZWJWLJO-UHFFFAOYSA-N 400.331 2.984 0 30 HFAC COC(=O)[C@@]12CN(C(=O)OCc3ccccc3)C[C@@H]1CN(C(=O)OC(C)(C)C)C2 953033677 CBEVDDOLPMNLTE-IIBYNOLFSA-N 404.463 2.665 0 30 HFAC CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](OC(C)=O)CC[C@@H]4[C@@H]3C[C@H](O)[C@@]2(O)C1 253497752 JLZRZHSWBPKHNI-AEXPSXJJSA-N 408.535 2.978 0 30 HFAC CCOC(=O)N1CCc2c(sc3[nH]c(=O)n(-c4cccc(Cl)c4)c(=O)c23)C1 1036133 DSPHTBHRBMFNEK-UHFFFAOYSA-N 405.863 2.909 0 30 HFAC CCOC(=O)[C@@H]1CN(Cc2ccccc2)[C@@]2(CCN(C(=O)OC(C)(C)C)C2)CO1 953018911 DVAICUYANYFICX-PGRDOPGGSA-N 404.507 2.830 0 30 HFAC Cc1cc(C#N)cnc1C(=O)Nc1ccc(F)c([C@@]2(C(F)F)COCC(N)=N2)c1 113658883 DHIZXRDJXNCTKQ-LJQANCHMSA-N 403.364 2.501 0 30 HFAC O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)[C@@H]1CC(=O)N(Cc2ccco2)C1 1034386 WKJWPQPNUFKNJI-CQSZACIVSA-N 403.866 2.757 0 30 HFAC C[C@@H]1COCCN1c1cc(C2(S(C)(=O)=O)CC2)nc(-c2cccc3c2CC=N3)n1 100285124 UIICABBYSASKTM-CQSZACIVSA-N 412.515 2.661 0 30 HFAC O=C(NCC1CC1)c1cc(N2CC[C@H](O)C2)nc(N2CCC[C@@H](c3ccccc3)C2)n1 1857524108 GFHJYPQZBBHOCC-UXHICEINSA-N 421.545 2.571 0 30 HFAC COC(=O)[C@@H](C=NOCc1ccc([N+](=O)[O-])cc1)NC(=O)c1cccc(Cl)c1 254821872 NCOBZTIUAMFQRW-MRXNPFEDSA-N 405.794 2.722 0 30 HFAC Cn1c(Cc2nn(C)c(=O)c3ccccc23)nnc1SCC(=O)c1ccccc1 1039250 NCHFTRZXVBJHII-UHFFFAOYSA-N 405.483 2.628 0 30 HFAC CCOC(=O)[C@@H]1CCCN(C(=O)S(=O)(=O)c2ccc(-c3ccccn3)s2)C1 1033482 FHAQJDICHIMURP-CYBMUJFWSA-N 408.501 2.979 0 30 HFAC CCOC(=O)c1cc(CSc2n[nH]c(=O)n2-c2ccccc2)nn1C(C)(C)C 1047881 CQKIPTWHLDGDDD-UHFFFAOYSA-N 401.492 2.981 0 30 HFAC CSc1sc(C(=O)N2CCOCC2)c2c1S(=O)(=O)N(C)c1ccccc1-2 1038169 KGPXNTXVIMCKQE-UHFFFAOYSA-N 410.542 2.748 0 30 HFAC O=C(O)/C=C\C(=O)Nc1ccccc1SC[C@@H](O)Cn1ccc(C(F)(F)F)n1 33382239 QIVKDUUHARQRMK-GZTOBOFZSA-N 415.393 2.634 0 30 HFAC COC(=O)[C@]12CN(C(=O)OCc3ccccc3)C[C@H]1CN(C(=O)OC(C)(C)C)C2 953033678 CBEVDDOLPMNLTE-KKSFZXQISA-N 404.463 2.665 0 30 HFAC O=C(c1ccc(N2CCOCC2)nc1)N1CCN(c2c(Cl)cncc2Cl)CC1 20223730 RZDLGDKIOOWEPG-UHFFFAOYSA-N 422.316 2.582 0 30 HFAC C1CC[C@H]2OCCOCCOCCO[C@H]3CCCC[C@H]3OCCOCCO[C@H]2C1 96334236 IWFZLIOEAYLIQY-ZDNVTZCJSA-N 416.555 2.739 0 30 HFAC COC(=O)c1cc(I)n2c1CN(C(=O)OC(C)(C)C)CC2 757122028 NGPFIHYWGJKVCN-UHFFFAOYSA-N 406.220 2.630 0 30 HFAC COc1ccc(N(C)S(C)(=O)=O)cc1CN[C@@H]1CCCN[C@@H]1c1ccccc1 98091990 GZLOIBNBDUHEFY-TZIWHRDSSA-N 403.548 2.674 0 30 HFAC Cc1ccc(S(=O)(=O)[N@@]2[C@@H]3C=C(Br)[C@H]4OC(C)(C)O[C@H]4[C@@H]32)cc1 2265351931 OBGZKJNBXCXNAQ-LSPIHWNJSA-N 400.294 2.549 0 30 HFAC Cc1nn(C)c(N2CCOCC2)c1-c1noc(C)c1C(=O)N(C)Cc1ccccc1 1616057461 SGWFNOBEJQIXSN-UHFFFAOYSA-N 409.490 2.801 0 30 HFAC CCC(=O)NCCNC[C@H](O)COc1ccc2c(=O)cc(-c3ccc(C)cc3)oc2c1 3644696 AJUCOSNBVHSNDR-SFHVURJKSA-N 424.497 2.624 0 30 HFAC CCOC(=O)C(C(=O)OCC)N1CCN(C(c2ccccc2)c2ccccc2)CC1 33894217 ONWDYWVNBASKND-UHFFFAOYSA-N 410.514 2.888 0 30 HFAC COc1ccccc1NC(=O)Nc1ccccc1C(=O)NCCCN1CCOCC1 19835078 RUOXZWZJXAWYGJ-UHFFFAOYSA-N 412.490 2.791 0 30 HFAC COc1ccccc1N1CCN(S(=O)(=O)c2ccc(-c3ccno3)s2)CC1 12369298 WPKQBWZSBFZLJI-UHFFFAOYSA-N 405.501 2.923 0 30 HFAC Cc1cc(C)nc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccsc3)cc2)n1 8636586 XFHNTJYKZUOSAD-UHFFFAOYSA-N 424.529 2.757 0 30 HFAC CO[C@H]1[C@@H]2O[C@H](c3ccccc3)OC[C@H]2O[C@H](OCc2ccccc2)[C@@H]1NC(C)=O 95921694 ABWUPDKLMGPJJS-RCQJKQRMSA-N 413.470 2.562 0 30 HFAC CCCc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 19924851 JQTIICHRLHCXCL-UHFFFAOYSA-N 402.516 2.874 0 30 HFAC CC1=NN(c2ccccc2)C(=O)[C@H]1/N=N/c1cc(S(C)(=O)=O)c([N+](=O)[O-])cc1O 111871997 MOWONGIRBKAENJ-RUNIHZNKSA-N 417.403 2.579 0 30 HFAC Cc1nn(C)c2c1[C@H](C(=O)NCc1ccco1)N(C(=O)c1ccccc1)C/C=C\CO2 725712440 WKSOPKFZNRUJSH-PXDRNWIDSA-N 420.469 2.770 0 30 HFAC O=c1[nH]nc(SCCS(=O)(=O)c2ccc(F)cc2)n1C1Cc2ccccc2C1 1033978 GCDNHSMMNWRNHG-UHFFFAOYSA-N 419.503 2.616 0 30 HFAC CC(=O)Nc1ccc(S(=O)(=O)NCc2cc(F)cc3c2OCOC3)cc1Cl 1032468 OMIAWCYNOCARIP-UHFFFAOYSA-N 414.842 2.783 0 30 HFAC COc1cc(O)c(C2=CC3=NNC(=O)[C@H]3[C@H](c3ccc4c(c3)OCO4)C2)c(OC)c1 101167686 PARAJVFQZBQLAV-QKKBWIMNSA-N 408.410 2.811 0 30 HFAC O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)[C@H]1CC(=O)N(Cc2ccco2)C1 1034385 WKJWPQPNUFKNJI-AWEZNQCLSA-N 403.866 2.757 0 30 HFAC COc1ccc(OC[C@@H](O)CNS(=O)(=O)c2ccc(-c3ccccn3)s2)cc1 1032929 WZNJEKBSJALXQK-AWEZNQCLSA-N 420.512 2.537 0 30 HFAC CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2N2CCOCC2)cc1Cl 1033532 QFRXOJHWYNANNG-UHFFFAOYSA-N 409.895 2.936 0 30 HFAC COc1ccc(S(=O)(=O)N2CCN(c3cccc4[nH]ccc34)CC2)cc1OC 1037032 IRHIAAYCMBDFEE-UHFFFAOYSA-N 401.488 2.696 0 30 HFAC CC(=O)NCCS(=O)(=O)c1ccc(N2CCC(c3ccc(Cl)cc3)=N2)cc1 38611855 OLAWASSCAKHGDM-UHFFFAOYSA-N 405.907 2.864 0 30 HFAC COc1cc(C)ccc1/N=N/[C@H]1C(=O)N(c2cccc(S(N)(=O)=O)c2)N=C1C 111903569 WGIUGLIAGCYZFY-SGRLSNSRSA-N 401.448 2.526 0 30 HFAC C[C@](O)(CS(=O)(=O)c1ccc(Cl)cc1)CS(=O)(=O)c1ccccc1Cl 1039649 JTZSUGRQWWMAAW-INIZCTEOSA-N 423.339 2.992 0 30 HFAC CC(=O)[C@H](/N=N/c1ccc(S(=O)(=O)O)cc1[N+](=O)[O-])C(=O)Nc1ccc(C)cc1 111898578 GMMKWTOQRXHHRY-QBNCKDSPSA-N 420.403 2.830 0 30 HFAC O[C@@H](COc1ccc(F)cc1)CN1CCN(c2nc(-c3ccccc3)ns2)CC1 19834695 WWOJVITZZNUECK-GOSISDBHSA-N 414.506 2.906 0 30 HFAC COc1cc(NC(=S)NNS(=O)(=O)c2ccc(C)cc2)c(OC)cc1Cl 1041800 DNPHSENPLFICPM-UHFFFAOYSA-N 415.924 2.846 0 30 HFAC O=C(O)C[C@@]1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCS(=O)(=O)C1 686805545 NMASIRYKSFLICR-NRFANRHFSA-N 415.467 2.557 0 30 HFAC NS(=O)(=O)c1cc(S(=O)(=O)O)c(NCc2ccco2)cc1Oc1ccccc1 3612885 KKKNDDLZEGDARS-UHFFFAOYSA-N 424.456 2.578 0 30 HFAC in-man CCOC(=O)c1nnn2c1nc(N1CCN(c3ccccc3)CC1)c1ccccc12 1035529 ZDSKHJDFGSYCHR-UHFFFAOYSA-N 402.458 2.781 0 30 HFAC CCOC(=O)[C@@H]1CN(Cc2ccccc2)[C@]2(CCN(C(=O)OC(C)(C)C)C2)CO1 953018909 DVAICUYANYFICX-AVRDEDQJSA-N 404.507 2.830 0 30 HFAC CN(C)C=C(C#N)[C@](O)(NNc1ncc(C(F)(F)F)cc1Cl)C(F)(F)F 6378844 CNQXNNYQXLPEGM-LLVKDONJSA-N 403.714 2.890 0 30 HFAC CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)c2ccc(-n3cccn3)cc2)CC1 1035125 AUSFSDGFCQZQNP-UHFFFAOYSA-N 406.508 2.504 0 30 HFAC COc1ccc(-c2nc(-c3ccc(OS(=O)(=O)N(C)C)cc3)no2)cc1OC 4390783 MBLNAYHKWITTMB-UHFFFAOYSA-N 405.432 2.606 0 30 HFAC CNS(=O)(=O)c1ccc(O)c(/N=N/[C@@H]2C(=O)N(c3ccc(Cl)cc3)N=C2C)c1 111411904 DFIRHORHPXOSRI-BZROSYFNSA-N 421.866 2.829 0 30 HFAC C[C@@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@H]3[C@@H](C[C@H](O)[C@]12C)[C@@]1(C)CC[C@@H](O)C[C@H]1CC31NN1 96029816 OCQCAIZRAFUGBU-ZRGFEJNMSA-N 420.594 2.892 0 30 HFAC in-vitro COC(=O)c1c(-c2c(Cl)cccc2Cl)noc1NC(=O)NN1CCOCC1 1042794 DOPNIJPLUZFSGU-UHFFFAOYSA-N 415.233 2.804 0 30 HFAC O=C(NN=Cc1ccccc1O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 254504870 GZUPBVJRCNVSCB-UHFFFAOYSA-N 421.906 2.597 0 30 HFAC COC(=O)[C@@H]1C[C@@H](OC(=O)N2Cc3cccc(F)c3C2)CN1C(=O)OC(C)(C)C 88314760 RAVLOADXRPYFMO-CJNGLKHVSA-N 408.426 2.829 0 30 HFAC in-vitro Cc1nn(C)c2c1[C@@H](C(=O)NCc1ccco1)N(C(=O)c1ccccc1)C/C=C\CO2 725712439 WKSOPKFZNRUJSH-HCZHMGAMSA-N 420.469 2.770 0 30 HFAC CC(C)n1cc(CC(=O)Nc2ccc(C(=O)N3CCNC(=O)C3)cc2)c2ccccc21 1565524787 VLGHTTHBBPNZHR-UHFFFAOYSA-N 418.497 2.975 0 30 HFAC COc1cc(O)c(C2=CC3=NNC(=O)[C@H]3[C@@H](c3ccc4c(c3)OCO4)C2)c(OC)c1 101167688 PARAJVFQZBQLAV-SZNDQCEHSA-N 408.410 2.811 0 30 HFAC O=S(=O)(NCc1ccc(Cl)cc1Cl)c1ccc(N2CCOCC2)nc1 4389352 CPTJPAGKPZWWRG-UHFFFAOYSA-N 402.303 2.704 0 30 HFAC C[C@H](C(=O)Nc1c(F)cccc1F)N1CCN(c2nccc(C(F)(F)F)n2)CC1 63150901 LJDQATARXJFADY-LLVKDONJSA-N 415.366 2.923 0 30 HFAC CCOC(=O)N1CCc2c(sc3[nH]c(=O)n(-c4ccc(Cl)cc4)c(=O)c23)C1 1036134 RMKUDDXLYDJDSJ-UHFFFAOYSA-N 405.863 2.909 0 30 HFAC Cc1ccc(-c2nc3c(=O)n(-c4ccccc4)c4c(c(=O)n(C)c(=O)n4C)c3o2)cc1 1036978 WEVWFAGPJCIGPG-UHFFFAOYSA-N 414.421 2.505 0 30 HFAC CCCCCCCCCCCC(=O)NCCN(CCOCC(=O)O)CC(=O)O 111413162 AVFYPLIPJNHMRT-UHFFFAOYSA-N 402.532 2.511 0 30 HFAC O=C(O)CSCC(=O)N1CCN(c2cc(C(F)(F)F)nc3ccccc23)CC1 4324522 JTSUAIPIJIOQID-UHFFFAOYSA-N 413.421 2.720 0 30 HFAC c1ccc(COCCOCCOCCOCCOCCO[C@H]2CCCCO2)cc1 38968080 WQRPIBUKQARHFH-QFIPXVFZSA-N 412.523 2.813 0 30 HFAC O=C(O)c1cn([C@@H]2C[C@H]2c2ccccc2)c2cc(N3CCNCC3)c(F)cc2c1=O 5162549 FNNPFNDZIMUNOD-HNAYVOBHSA-N 407.445 2.977 0 30 HFAC O[C@@H](CNCCNc1nccc(C(F)(F)F)n1)COc1cccc(C(F)(F)F)c1 12338941 XFYMXRLRNDLHNC-LBPRGKRZSA-N 424.345 2.956 0 30 HFAC Cc1ccc([C@@H]2O[C@H]3CO[C@@H](c4ccc(Cl)cc4)O[C@H]3[C@@H]([C@H](O)CO)O2)cc1 117660023 SNNPCLYCUJYYGZ-KXXIFBCNSA-N 406.862 2.898 0 30 HFAC O[C@@H](CN1CCN(Cc2ccc3c(c2)OCO3)CC1)Oc1ccc(C(F)(F)F)cc1 22925048 IELBVTHKITZNKK-HXUWFJFHSA-N 424.419 2.949 0 30 HFAC CN(C)CC(C)(C)COB(OCC(C)(C)CN(C)C)OCC(C)(C)CN(C)C 195778247 ZOMVQCXUYPVEPS-UHFFFAOYSA-N 401.445 2.785 0 30 HFAC O=C(O)C[C@H](CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccccc1 4325102 KNYIQPLMWJACIE-IBGZPJMESA-N 410.470 2.708 0 30 HFAC O=C1C[C@H](N2CCN(CC=Cc3ccccc3)CC2)C(=O)N1c1ccc(F)cc1F 2265279575 ABXQFTXEJVVVIB-NRFANRHFSA-N 411.452 2.928 0 30 HFAC CC(C)(C)OC(=O)N[C@@H](Cc1cc(I)ccc1F)C(=O)O 44300613 ZDZURTUFHPRITG-NSHDSACASA-N 409.195 2.951 0 30 HFAC Cc1nc(-c2ccc(S(=O)(=O)NCCNC(=O)OC(C)(C)C)s2)cs1 3078795 SGZWAJFKPPINJH-UHFFFAOYSA-N 403.551 2.983 0 30 HFAC CCCC[SnH](F)O[SnH](F)CCCC 196555985 NHUOXPLPXCYZMX-UHFFFAOYSA-L 407.665 2.983 0 30 HFAC O=S1(=O)Cc2ccc(NS(=O)(=O)c3ccc(Br)s3)cc2C1 1040336 JYINECCFZJYJQK-UHFFFAOYSA-N 408.320 2.740 0 30 HFAC COc1cc(O)c(C2=CC3=NNC(=O)[C@@H]3[C@@H](c3ccc4c(c3)OCO4)C2)c(OC)c1 101167687 PARAJVFQZBQLAV-SPLOXXLWSA-N 408.410 2.811 0 30 HFAC O=C1NC2(CCCCCC2)C(=O)N1CCS(=O)(=O)Oc1ccc(Cl)cc1 1737755 RKOKTAMAKVUVFP-UHFFFAOYSA-N 400.884 2.693 0 30 HFAC CCOC(=O)[C@H]1CCCN(C(=O)S(=O)(=O)c2ccc(-c3ccccn3)s2)C1 1033481 FHAQJDICHIMURP-ZDUSSCGKSA-N 408.501 2.979 0 30 HFAC Cc1ccc([C@H]2O[C@H]3CO[C@@H](c4ccc(Cl)cc4)O[C@H]3[C@@H]([C@H](O)CO)O2)cc1 117660025 SNNPCLYCUJYYGZ-RLLAOZKESA-N 406.862 2.898 0 30 HFAC COc1ccc(OC)c(S(=O)(=O)Nc2ccc3oc(=O)c(NC(C)=O)cc3c2)c1 1040712 IMDQVTRGPUMLTM-UHFFFAOYSA-N 418.427 2.569 0 30 HFAC COc1ccc(-c2c(C(F)(F)F)nn(C)c2NC(=O)CSCC(=O)O)cc1 1029137 LNEVKAOCAGJSLL-UHFFFAOYSA-N 403.382 2.871 0 30 HFAC Cc1nc(-c2ccc(S(=O)(=O)Nc3cccc(S(N)(=O)=O)c3)s2)cs1 8636556 YSYIHQYYTWATDU-UHFFFAOYSA-N 415.543 2.628 0 30 HFAC O=C(O)c1ccc(NS(=O)(=O)c2ccccc2I)cc1 4343485 HMGCISWZVOEXSR-UHFFFAOYSA-N 403.197 2.790 0 30 HFAC COc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)c2ccc(C(C)(C)C)cc2)cc1 1033359 IKEKXLVVULKJGY-FQEVSTJZSA-N 423.513 2.962 0 30 HFAC CC(=O)c1ccc(OC[C@@H](O)CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 20421526 VDNKERVMQDDWGS-SFHVURJKSA-N 423.435 2.865 0 30 HFAC Cc1cc(=O)oc2cc(NC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)ccc12 65734836 ZQYSEURIFUZXSJ-QOKNQOGYSA-N 401.488 2.766 0 30 HFAC in-vitro CC(C)[C@@](C)(O)[C@H]1CN(c2nc(-c3[nH]nc4ncccc34)c(F)cc2Cl)CCN1 213111362 HXWARSZQGAFXJM-FOIQADDNSA-N 418.904 2.998 0 30 HFAC CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](OC(C)=O)CC[C@@H]4[C@H]3C[C@H](O)[C@@]2(O)C1 252428522 JLZRZHSWBPKHNI-MHKUKJPMSA-N 408.535 2.978 0 30 HFAC O=C(NC(=O)c1c(F)cccc1F)C(=O)Nc1ccc(Br)cc1F 4382852 LVRFHPJWPSQNBA-UHFFFAOYSA-N 401.138 2.762 0 30 HFAC C[C@@H](C(=O)Nc1c(F)cccc1F)N1CCN(c2nccc(C(F)(F)F)n2)CC1 63150900 LJDQATARXJFADY-NSHDSACASA-N 415.366 2.923 0 30 HFAC CCOc1ccc(-n2nnc3cnc(Nc4cnn(C5CCN(C)CC5)c4)nc32)cc1 205340842 GYJNFCRUTKYKNV-UHFFFAOYSA-N 419.493 2.816 0 30 HFAC Cn1cc(-c2[nH]c3cc(NC(=O)[C@@H](N)C4CCCCC4)cc4c(=O)[nH]ncc2c34)cn1 95566486 NDEXUOWTGYUVGA-IBGZPJMESA-N 419.489 2.651 0 30 HFAC O=C(O)C[C@]1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCS(=O)(=O)C1 686805548 NMASIRYKSFLICR-OAQYLSRUSA-N 415.467 2.557 0 30 HFAC COc1ccc([C@H]2[C@@H]3CCc4ccccc4C3=NN2C(=O)CN2CCOCC2)cc1 19835241 ZHEJTCLGJIYIPX-QPPBQGQZSA-N 405.498 2.877 0 30 HFAC COC(=O)/C(=C\c1ccc2c(c1)OCO2)[C@H](Cc1ccc2c(c1)OCO2)C(=O)OC 238758307 MHPJAZYITXHVOI-UJPCXNRSSA-N 412.394 2.732 0 30 HFAC COc1cccc2c(=O)n(C)c(-c3cnc(OC4CCN(C5CCC5)CC4)nc3)nc12 35919689 YLNSERFUFNOVJX-UHFFFAOYSA-N 421.501 2.795 0 30 HFAC COc1ccc2nc(-c3ccc(OC[C@H](O)CNC(C)(C)C)cc3)n(C)c(=O)c2c1 1849393 NJLURZOPCFJTSE-MRXNPFEDSA-N 411.502 2.737 0 30 HFAC CCOC(=O)c1ccc(N2CCOCC2)c(NS(=O)(=O)c2ccc(F)cc2)c1 1037238 NTKDHKPUDPXPJF-UHFFFAOYSA-N 408.451 2.640 0 30 HFAC CC1(c2ccc(CCOc3ccc(C[C@@H]4SC(=O)NC4=O)cc3)nc2)OCCO1 6202152 BKGURYFSOKOYPR-SFHVURJKSA-N 414.483 2.817 0 30 HFAC in-vitro O=C(C[C@@H]1C(=O)NCCN1C(=O)c1ccccc1)Nc1cc(Cl)ccc1Cl 4333491 BQURJFBRCRREDZ-MRXNPFEDSA-N 406.269 2.963 0 30 HFAC O=S(=O)(c1cccc2nonc12)N1CCCN(Cc2c(F)cccc2Cl)CC1 63156406 NKWQJJOCHYUHGY-UHFFFAOYSA-N 424.885 2.912 0 30 HFAC Cc1ccc([C@@H]2O[C@H]3CO[C@H](c4ccc(Cl)cc4)O[C@H]3[C@@H]([C@H](O)CO)O2)cc1 117660019 SNNPCLYCUJYYGZ-WCAYHLDQSA-N 406.862 2.898 0 30 HFAC O=C(c1ccc(C(F)(F)F)nc1)N1CCC(c2nc(-c3ccnnc3)no2)CC1 19615453 ZNWAZAZWDDUJHL-UHFFFAOYSA-N 404.352 2.960 0 30 HFAC Cn1ccnc1CC1=C(C2C(=O)c3ccccc3C2=O)C=c2c(ccc3c2=CC=CC3)N1 238790060 BNWLIOWVCQJYRH-UHFFFAOYSA-N 419.484 2.711 0 30 HFAC CCOC(=O)[C@H]1CN(Cc2ccccc2)[C@]2(CCN(C(=O)OC(C)(C)C)C2)CO1 953018910 DVAICUYANYFICX-GCJKJVERSA-N 404.507 2.830 0 30 HFAC C1CC[C@@H]2OCCOCCO[C@@H]3CCCC[C@H]3OCCOCCOCCO[C@H]2C1 263589360 IWFZLIOEAYLIQY-COPRSSIGSA-N 416.555 2.739 0 30 HFAC O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc(C(F)(F)F)c1 1031165 VAFIRAWLPZNERU-UHFFFAOYSA-N 414.405 2.979 0 30 HFAC COC(=O)c1sccc1NC(=O)Cn1nnc(-c2cccc(C(F)(F)F)c2)n1 4394577 HFCYVHHCHVSHBH-UHFFFAOYSA-N 411.365 2.846 0 30 HFAC O=C1NC(=O)/C(=C/c2ccc(OS(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2)N1 2163263 AYACGBBLLQMNBG-RZNTYIFUSA-N 413.238 2.941 0 30 HFAC O=C(NN=Cc1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2ccccc2)CC1 263628779 DQXNDMAIVMGTBU-UHFFFAOYSA-N 405.907 2.891 0 30 HFAC COC(=O)c1csc(S(=O)(=O)N=[S@@](C)(=O)c2ccc(C)cc2)c1OC 100214848 OTCGYAFIUVQXCQ-DEOSSOPVSA-N 403.503 2.697 0 30 HFAC Oc1ncnc2sc(I)c(I)c12 716047757 ZRMNNJDYWUTFEN-UHFFFAOYSA-N 403.970 2.606 0 30 HFAC Cc1ccc(S(=O)(=O)N2CCCN(c3nccc(C(F)(F)F)n3)CC2)cc1 1032381 FCLAVGCGYVZBTR-UHFFFAOYSA-N 400.426 2.705 0 30 HFAC CN(C)COCc1cc(-c2cn[nH]c2)ccc1NC(=O)[C@H]1COc2ccccc2O1 575319694 ALGCFIUHMJVUMX-OAQYLSRUSA-N 408.458 2.891 0 30 HFAC CC(=O)c1ccc(OC[C@@H](O)CN2CCCN(C(=O)c3cccs3)CC2)cc1 4299523 MNBOOQIJWPTPNP-SFHVURJKSA-N 402.516 2.539 0 30 HFAC CC(C)(C)OC(=O)N[C@H](Cc1cc(I)ccc1F)C(=O)O 44300616 ZDZURTUFHPRITG-LLVKDONJSA-N 409.195 2.951 0 30 HFAC COC(=O)[C@@](NC(=O)CC(C)C)(Nc1ccc(Br)cn1)C(F)(F)F 33347295 YNZLNVWXHLUATD-ZDUSSCGKSA-N 412.206 2.850 0 30 HFAC CC[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)N21 1656455 MSEKYFBUODOFAK-KSZLIROESA-N 411.502 2.993 0 30 HFAC Cc1ccc(S(=O)(=O)[N@]2[C@@H]3C=C(Br)[C@H]4OC(C)(C)O[C@H]4[C@@H]32)cc1 2265351932 OBGZKJNBXCXNAQ-ZURLZEQWSA-N 400.294 2.549 0 30 HFAC COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cc1 1027669 QSJSMCPYLVKXFW-UHFFFAOYSA-N 423.472 2.593 0 30 HFAC COC(=O)CC[C@H](NC(=O)COc1cc(Cl)c(Cl)cc1Cl)C(=O)OC 223665021 UKMMKHXMVFMDKD-NSHDSACASA-N 412.653 2.637 0 30 HFAC COc1ccc(C(C)(C)OC(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)O)c(OC)c1 2384204 YQFSUUQQJVOCMJ-AWEZNQCLSA-N 411.451 2.850 0 30 HFAC Cc1c(S(=O)(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)cnn1-c1ccccc1 1035269 GTXFEPRJFFDORG-UHFFFAOYSA-N 420.535 2.812 0 30 HFAC CC(C)[C@](C)(O)[C@H]1CN(c2nc(-c3[nH]nc4ncccc34)c(F)cc2Cl)CCN1 198780475 HXWARSZQGAFXJM-QRWLVFNGSA-N 418.904 2.998 0 30 HFAC O=C(c1c(F)ccc(NS(=O)(=O)N2CC[C@@H](F)C2)c1F)c1c[nH]c2ncccc12 1774020911 UPGOVKMCERFOIH-SNVBAGLBSA-N 424.404 2.773 0 30 HFAC O[C@H](COc1ccc(F)cc1)CN1CCN(c2nc(-c3ccccc3)ns2)CC1 19834697 WWOJVITZZNUECK-SFHVURJKSA-N 414.506 2.906 0 30 HFAC O=C(CSc1n[nH]c(=O)n1C1Cc2ccccc2C1)c1ccc2c(c1)OCCO2 1033993 IMPTWNXRHJOSCQ-UHFFFAOYSA-N 409.467 2.658 0 30 HFAC COC(=O)c1cc(OC)c(OC)c(OC)c1NC(=O)c1cc2ccccc2oc1=O 1042583 NAJRYLNDBUMMJV-UHFFFAOYSA-N 413.382 2.858 0 30 HFAC O=c1c(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)coc2ccccc12 1028458 FBUHQDXGUFWRBZ-UHFFFAOYSA-N 404.875 2.957 0 30 HFAC CCc1nc2c(=O)n(C)c3c(c(=O)n(-c4ccccc4)c(=O)n3-c3ccccc3)c2o1 1044250 KIQSDBHAPICMHZ-UHFFFAOYSA-N 414.421 2.544 0 30 HFAC O=S(=O)(NCc1csc(-c2cccs2)n1)c1ccc(N2CCOCC2)nc1 20223696 ZBACUFJHKRZWAR-UHFFFAOYSA-N 422.557 2.582 0 30 HFAC COc1c(N2C[C@@H]3CCCN(C)[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 77303100 RBOQKHOVSOJSBL-YVEFUNNKSA-N 415.465 2.713 0 30 HFAC in-vitro CC[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N[C@H](CCC(=O)OC(C)(C)C)C(=O)N21 1656453 MSEKYFBUODOFAK-KURKYZTESA-N 411.502 2.993 0 30 HFAC Cn1cc(Br)c(-c2cccc(NC(=O)c3nccnc3C(=O)O)c2)n1 4324710 CLZSCRDQZHZKDE-UHFFFAOYSA-N 402.208 2.590 0 30 HFAC CNS(=O)(=O)c1ccc(O)c(/N=N/[C@H]2C(=O)N(c3ccc(Cl)cc3)N=C2C)c1 111411898 DFIRHORHPXOSRI-FVGNFYTDSA-N 421.866 2.829 0 30 HFAC CC(=O)N[C@H]1C=C(Br)[C@H]2OC(C)(C)O[C@H]2[C@@H]1OC(=O)c1ccccc1 2265351919 NMNGWKOXAURTFJ-ZJIFWQFVSA-N 410.264 2.529 0 30 HFAC C[C@H]1COCCN1c1cc(C2([S@](C)(=N)=O)CC2)nc(-c2cc[nH]c3nccc2-3)n1 642883034 OHUHVTCQTUDPIJ-CAMPQQCRSA-N 412.519 2.862 0 30 HFAC COc1cc2nc(N3CCN(C(=S)Nc4ccccc4)CC3)nc(N)c2cc1OC 33876605 GMHALCSWFDUNRX-UHFFFAOYSA-N 424.530 2.748 0 30 HFAC O=C(C[C@H]1C(=O)NCCN1C(=O)c1ccccc1)Nc1cc(Cl)ccc1Cl 1033601 BQURJFBRCRREDZ-INIZCTEOSA-N 406.269 2.963 0 30 HFAC C=C1C(=O)O[C@@H]2/C=C(/C)[C@@H](OC(C)=O)C[C@H](O)/C(C)=C\[C@@H](OC(=O)/C(C)=C\C)[C@H]12 33953236 LVPCBECJXWCROK-WBSXLFJVSA-N 404.459 2.551 0 30 HFAC Cc1ccc(S(=O)(=O)N(c2cc(C)nn2C)S(=O)(=O)c2ccc(C)cc2)cc1 1037267 PLCNLIFVASVKBR-UHFFFAOYSA-N 419.528 2.930 0 30 HFAC CCCC[Sn](CCCC)(OC[C@@H](C)NCCN)OC(C)=O 196005100 ASSRYCKRDFVJIF-SEUOVDNZSA-M 409.159 2.545 0 30 HFAC CCOC(=O)c1cc(-c2ccnn2S(=O)(=O)c2cccc(C(F)(F)F)c2)on1 1048022 FDCYJRFUJIQAFP-UHFFFAOYSA-N 415.349 2.971 0 30 HFAC C[C@H](C(=O)N1CCN(Cc2ccccc2)CC1)N1CCN(Cc2ccccc2)CC1 20432365 WEBKZHJPVWUTOP-JOCHJYFZSA-N 406.574 2.537 0 30 HFAC CC[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)N21 1656454 MSEKYFBUODOFAK-BZSNNMDCSA-N 411.502 2.993 0 30 HFAC C[C@@](O)(CS(=O)(=O)c1ccc(Cl)cc1)CS(=O)(=O)c1ccccc1Cl 1039648 JTZSUGRQWWMAAW-MRXNPFEDSA-N 423.339 2.992 0 30 HFAC COC(=O)Cc1nc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)sc1C 1028960 ARCZLPWKPDOIDG-UHFFFAOYSA-N 410.395 2.866 0 30 HFAC N=C(N)Nc1ccc(C(=O)Oc2ccc(C(=N)N)cc2C(=O)c2ccccc2)cc1 31425032 BBOMEVIZSOCTDT-UHFFFAOYSA-N 401.426 2.726 0 30 HFAC O=C(c1cccc(C(=O)N2C(=O)c3ccccc3C2=O)c1)N1C(=O)c2ccccc2C1=O 199487296 PBDYZRHIIXZUCS-UHFFFAOYSA-N 424.368 2.559 0 30 HFAC O=S(=O)(c1ccc(F)cc1)N1CCCN(c2nccc(C(F)(F)F)n2)CC1 1032375 SPSWRWFBMLIJPS-UHFFFAOYSA-N 404.389 2.536 0 30 HFAC CCN(CC)CCOC(=O)c1cc2n(c1C(=O)O)CCc1c-2ccc(OC)c1OC 147076066 XPIZVYALTSAAFC-UHFFFAOYSA-N 416.474 2.925 0 30 HFAC COc1ccc(COc2cn(OCc3ccc(OC)cc3)c(C(=O)O)cc2=O)cc1 205445519 NJSKXZXYOOZUOH-UHFFFAOYSA-N 411.410 2.772 0 30 HFAC C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)[C@@H](OC=O)C[C@]12O 31483195 WPPUBSWJDJKYDK-QDLCSJEJSA-N 418.530 2.756 0 30 HFAC C[C@]12CO[C@]([C@H](CO)NC(=O)OCC3c4ccccc4-c4ccccc43)(OC1)OC2 2265347452 KYFGIGCQZONXHY-ACIOBRDBSA-N 411.454 2.623 0 30 HFAC CC(O)(CS(=O)(=O)c1ccc(Cl)cc1)CS(=O)(=O)c1ccc(Cl)cc1 1039635 CZAXIPVBGCUUPB-UHFFFAOYSA-N 423.339 2.992 0 30 HFAC Cc1ccc([C@H]2O[C@H]3CO[C@H](c4ccc(Cl)cc4)O[C@H]3[C@@H]([C@H](O)CO)O2)cc1 117660021 SNNPCLYCUJYYGZ-ZPLOVTKXSA-N 406.862 2.898 0 30 HFAC COc1ccc(OC[C@H](O)CNS(=O)(=O)c2cc(Cl)sc2Cl)cc1 1032839 LHIYSFBTZFZVAN-SECBINFHSA-N 412.316 2.782 0 30 HFAC O=C(Nc1ccccc1C(=O)NCCCN1CCOCC1)c1ccc(F)cc1F 19835104 DDLDJLLMFBXSRC-UHFFFAOYSA-N 403.429 2.669 0 30 HFAC Cn1nc(C(F)(F)F)c(-c2ccc(F)cc2)c1NC(=O)c1nccnc1C(=O)O 1029445 JZWAFHFGXPGHTI-UHFFFAOYSA-N 409.299 2.986 0 30 HFAC CC(C)[C@H](N)C(=O)NC(=O)CN(C)c1ccc(Cl)cc1C(=O)c1ccccc1 33868289 ASWHKVVHRMNMIX-IBGZPJMESA-N 401.894 2.633 0 30 HFAC COC(=O)[C@@]12CN(C(=O)OCc3ccccc3)C[C@H]1CN(C(=O)OC(C)(C)C)C2 953033675 CBEVDDOLPMNLTE-HRAATJIYSA-N 404.463 2.665 0 30 HFAC COc1ccc(Cn2c(=O)c3[nH]cnc3n(-c3ccccc3C(F)(F)F)c2=O)cc1 8567104 KCYNUDNKUPMWJC-UHFFFAOYSA-N 416.359 2.951 0 30 HFAC COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2ccc(C)cc2)CC1 4364558 YMFRPPUSWRHMPF-UHFFFAOYSA-N 417.575 2.884 0 30 HFAC CCCN1CCN(c2ccc(C(=O)NC3(C(=O)N(C)C#N)CCCCC3)cc2)CC1 142765254 AZRAMBCUVQFIRS-UHFFFAOYSA-N 411.550 2.591 0 30 HFAC Cc1nnc2n1C[C@H](C(=O)O)N(C(=O)OCC1c3ccccc3-c3ccccc31)C2 400367744 REEFESJASHDRPY-LJQANCHMSA-N 404.426 2.804 0 30 HFAC COc1ccccc1N1CCN(CC(=O)c2cc(OC)c(OC)c(OC)c2)CC1 95859941 QXJRANKEUCALKZ-UHFFFAOYSA-N 400.475 2.726 0 30 HFAC Cc1nc(S(=O)(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)cn1C 20432029 MLUMXKRBSGKSFW-UHFFFAOYSA-N 408.527 2.805 0 30 HFAC COc1ccc(C=NNC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 254291895 PYZUZIGRSIMUKD-UHFFFAOYSA-N 415.515 2.555 0 30 HFAC CC[C@H](C)C(=O)O[C@@H]1CC=CC2=C[C@H](O)[C@H](C)[C@H](CC[C@@H]3C[C@H](O)CC(=O)O3)[C@H]21 5924511 JCXABYACWXHFQQ-GWOYXQHDSA-N 406.519 2.920 0 30 HFAC biogenic COc1cc2nc(N3CCC(n4c(=O)[nH]c5ccccc54)CC3)nc(N)c2cc1OC 33899218 MSBRYSXEBYRJQO-UHFFFAOYSA-N 420.473 2.714 0 30 HFAC Cc1cc(NC(=O)CSc2n[nH]c(=O)n2-c2ccccc2)n(-c2ccccc2)n1 1033868 KRHHSMKUCNZBCV-UHFFFAOYSA-N 406.471 2.786 0 30 HFAC COc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)c2ccc(C(C)(C)C)cc2)cc1 1033358 IKEKXLVVULKJGY-HXUWFJFHSA-N 423.513 2.962 0 30 HFAC O=S(=O)(c1ccc(-n2c(S)nnc2-c2ccncc2)cc1)N1CCCCC1 1040501 LAUAQRUCJQBHIH-UHFFFAOYSA-N 401.517 2.793 0 30 HFAC CC(=O)c1ccc(OC[C@H](O)CN2CCCN(C(=O)c3cccs3)CC2)cc1 4299522 MNBOOQIJWPTPNP-GOSISDBHSA-N 402.516 2.539 0 30 HFAC COc1ccc(-c2cc(-c3ccc(OC)cc3)c3c(=O)n(C)c(=O)n(C)c3n2)cc1 1041500 MQRFZXGYRUZODW-UHFFFAOYSA-N 403.438 2.983 0 30 HFAC C1CC[C@H]2OCCOCCOCCO[C@@H]3CCCC[C@H]3OCCOCCO[C@H]2C1 96334232 IWFZLIOEAYLIQY-YSFYHYPLSA-N 416.555 2.739 0 30 HFAC NS(=O)(=O)c1ccc2ccccc2c1-c1c(S(N)(=O)=O)ccc2ccccc12 95830669 GHOMEMIQVSTVEP-UHFFFAOYSA-N 412.492 2.955 0 30 HFAC O=C(CC1(N2Cc3ccccc3C2=O)CCOCC1)N1CCN(c2ccccc2)CC1 1565524155 CIURXGNYHDEWCN-UHFFFAOYSA-N 419.525 2.931 0 30 HFAC Cc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C(=O)O)cc2)s1 33852268 IVOLPXGGYPYZOM-UHFFFAOYSA-N 418.456 2.598 0 30 HFAC in-man Cc1nn(C)c(Oc2ccc(Cl)cc2)c1-c1noc(C)c1C(=O)N1CC(O)C1 1616057523 ZKVOXPUFGMILIX-UHFFFAOYSA-N 402.838 2.954 0 30 HFAC C1CC[C@@H]2OCCOCCO[C@@H]3CCCC[C@@H]3OCCOCCOCCO[C@H]2C1 263589361 IWFZLIOEAYLIQY-MYGLTJDJSA-N 416.555 2.739 0 30 HFAC O[C@H](CNCCNc1nccc(C(F)(F)F)n1)COc1cccc(C(F)(F)F)c1 12338940 XFYMXRLRNDLHNC-GFCCVEGCSA-N 424.345 2.956 0 30 HFAC COc1ccc(OC[C@H](O)CNS(=O)(=O)c2ccc(-c3ccccn3)s2)cc1 1032928 WZNJEKBSJALXQK-CQSZACIVSA-N 420.512 2.537 0 30 HFAC CCC(=O)NCCNC[C@@H](O)COc1ccc2c(=O)cc(-c3ccc(C)cc3)oc2c1 1536785 AJUCOSNBVHSNDR-GOSISDBHSA-N 424.497 2.624 0 30 HFAC O=C(O)[C@@H]1CC(=O)N(C2CN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)C1 725262453 FXIKNZYTSBHETF-CQSZACIVSA-N 406.438 2.553 0 30 HFAC CC(C)(O)c1noc(-c2cccc(CNC(=O)c3cnc(-c4ccccn4)nc3)c2)n1 575440613 XEJKDBNKSVIKFR-UHFFFAOYSA-N 416.441 2.746 0 30 HFAC COc1ccc([C@@H]2[C@H]3CCc4ccccc4C3=NN2C(=O)CN2CCOCC2)cc1 19835243 ZHEJTCLGJIYIPX-XUZZJYLKSA-N 405.498 2.877 0 30 HFAC O=C1C[C@@H](N2CCN(CC=Cc3ccccc3)CC2)C(=O)N1c1ccc(F)cc1F 2265279576 ABXQFTXEJVVVIB-OAQYLSRUSA-N 411.452 2.928 0 30 HFAC O=C(O)[C@H]1CC(=O)N(C2CN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)C1 725262452 FXIKNZYTSBHETF-AWEZNQCLSA-N 406.438 2.553 0 30 HFAC COC(=O)c1cc(NS(=O)(=O)c2cccc(Cl)c2)ccc1N1CCOCC1 4297054 SYUNXYNXUBWURB-UHFFFAOYSA-N 410.879 2.764 0 30 HFAC C[C@@H](C(=O)N1CCN(Cc2ccccc2)CC1)N1CCN(Cc2ccccc2)CC1 20432367 WEBKZHJPVWUTOP-QFIPXVFZSA-N 406.574 2.537 0 30 HFAC CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](NC(=O)OC(C)(C)C)C1 114947974 IMYFREYDMQDSDK-RCCFBDPRSA-N 412.527 2.851 0 30 HFAC Cc1snc(S(=O)(=O)C(C#N)=NNc2ccc(OC(F)(F)F)cc2)c1C#N 254402899 NMELRXOTQOCMCK-UHFFFAOYSA-N 415.378 2.945 0 30 HFAC O[C@H](CN1CCN(Cc2ccc3c(c2)OCO3)CC1)Oc1ccc(C(F)(F)F)cc1 20421636 IELBVTHKITZNKK-FQEVSTJZSA-N 424.419 2.949 0 30 HFAC Cc1cc(-c2c(C(=O)NN3CCOCC3)c(C)nn2-c2ccc(F)c(Cl)c2)no1 1031886 XUPDVIVOMDCYSW-UHFFFAOYSA-N 419.844 2.914 0 30 HFAC CC(=O)Nc1ccc(Br)cc1C(=O)C(=O)Nc1ccc2c(c1)OCO2 3128762 GBGNNIMGBAZAQF-UHFFFAOYSA-N 405.204 2.958 0 30 HFAC CC(=O)OC(CC(=O)OCC(C)C)(CC(=O)OCC(C)C)C(=O)OCC(C)C 33605446 KCCLEAUZFNBELO-UHFFFAOYSA-N 402.484 2.666 0 30 HFAC CC1(c2ccc(CCOc3ccc(C[C@H]4SC(=O)NC4=O)cc3)nc2)OCCO1 6202149 BKGURYFSOKOYPR-GOSISDBHSA-N 414.483 2.817 0 30 HFAC in-vitro CCc1cc(C(=O)c2ccc(OC)cc2)c(NC(=O)CN2CCN(C)CC2)s1 19835211 PGLUPFDXMXYLKD-UHFFFAOYSA-N 401.532 2.736 0 30 HFAC O=S(=O)(NCCCN1CCCCCC1)c1ccc(I)cc1 15042645 ALWIKCKQZFIKBB-UHFFFAOYSA-N 422.332 2.836 0 30 HFAC CCOC(=O)CSc1nnc(Cn2nnc3ccccc32)n1-c1ccc(F)cc1 1035671 XSJCMWUOTBYRKN-UHFFFAOYSA-N 412.450 2.855 0 30 HFAC CCOC(=O)/C(=C(/C)Nc1ccc(F)cc1)[C@H]1CC(=O)N(c2cc(C)on2)C1=O 100251271 JJKOZYPEZLIHDX-PWDRBQJJSA-N 401.394 2.951 0 30 HFAC O=C(NCc1ccc2c(c1)OCO2)C1CCN(c2nccc(C(F)(F)F)n2)CC1 1030776 SWOMVTCKGRDURK-UHFFFAOYSA-N 408.380 2.757 0 30 HFAC CC[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N[C@H](CCC(=O)OC(C)(C)C)C(=O)N21 1656452 MSEKYFBUODOFAK-SQNIBIBYSA-N 411.502 2.993 0 30 HFAC O=C(CCc1ccccc1)NN1CC(=O)N(c2cc(Cl)cc(Cl)c2)CC1=O 1030053 SBWVSNVWTCUWDF-UHFFFAOYSA-N 406.269 2.833 0 30 HFAC CS(=O)(=O)N(Cc1ccccc1)Cc1ccccc1N1CCC(C(=O)O)CC1 1034772 BQRYSZXDNDPPGU-UHFFFAOYSA-N 402.516 2.949 0 30 HFAC COc1cc(C(=O)CC(=O)N2CCN(c3ccccc3C)CC2)cc(OC)c1OC 3615176 DADUDMDLSGNKFL-UHFFFAOYSA-N 412.486 2.942 0 30 HFAC CCOC(=O)[C@H]1CN(Cc2ccccc2)[C@@]2(CCN(C(=O)OC(C)(C)C)C2)CO1 953018912 DVAICUYANYFICX-XMSQKQJNSA-N 404.507 2.830 0 30 HFAC CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C1 211628494 GMEDYAHVPDSLGH-CQSZACIVSA-N 415.412 2.561 0 30 HFAC COc1ccc(-c2c(C(F)(F)F)nn(C)c2NC(=O)c2nccnc2C(=O)O)cc1 1029441 LSLAAISERZQUFJ-UHFFFAOYSA-N 421.335 2.855 0 30 HFAC COC(=O)/C(=C\c1ccc2c(c1)OCO2)[C@@H](Cc1ccc2c(c1)OCO2)C(=O)OC 585138968 MHPJAZYITXHVOI-NXADEVLQSA-N 412.394 2.732 0 30 HFAC COc1cc(C)ccc1/N=N/[C@@H]1C(=O)N(c2cccc(S(N)(=O)=O)c2)N=C1C 111903575 WGIUGLIAGCYZFY-UAFUQJIBSA-N 401.448 2.526 0 30 HFAC O=C1c2ccccc2S(=O)(=O)N1CCS(=O)(=O)c1ccc(Cl)cc1Cl 1034373 MURKQCFFTDZGNB-UHFFFAOYSA-N 420.295 2.612 0 30 HFAC O=C(O)C[C@@H](CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccccc1 4325103 KNYIQPLMWJACIE-LJQANCHMSA-N 410.470 2.708 0 30 HFAC Cc1noc(C)c1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 1030487 JCSKVTRERKVAJL-UHFFFAOYSA-N 405.398 2.948 0 30 HFAC CC(=O)Nc1ccc(OC(=O)CNC(=O)[C@@H](C)SC(=O)c2cccs2)cc1 33886384 LWKQXPGHHVOJAV-LLVKDONJSA-N 406.485 2.690 0 30 HFAC O=C(O)C[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)CCS1(=O)=O 669372214 LVUXMQFWQRXKER-CQSZACIVSA-N 415.467 2.509 0 30 HFAC CC(=O)Nc1ccc(OC(=O)CNC(=O)[C@H](C)SC(=O)c2cccs2)cc1 33886383 LWKQXPGHHVOJAV-NSHDSACASA-N 406.485 2.690 0 30 HFAC CC(C)(C)OC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H](CO)C1 98025183 HYWUIBQDIFDWJM-CYBMUJFWSA-N 403.306 2.976 0 30 HFAC Cn1c(Cc2ccsc2)nnc1SCC(=O)Nc1ccc2c(c1)OCCO2 4334297 FNAUZYLYZCYZRB-UHFFFAOYSA-N 402.501 2.969 0 30 HFAC C[C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Br)CCN1 32011362 ZBTVXBLYDBQQDF-SECBINFHSA-N 424.270 2.734 0 30 HFAC O=C(O)/C=C\C(=O)Nc1ccccc1SC[C@H](O)Cn1ccc(C(F)(F)F)n1 3125865 QIVKDUUHARQRMK-ISALQUGTSA-N 415.393 2.634 0 30 HFAC COc1cc(OC)cc(C(C)(C)OC(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)O)c1 4336681 SOEIQTIEEQTNNN-HNNXBMFYSA-N 411.451 2.850 0 30 HFAC CC[C@H]1O[C@H]2O[C@H](/C=C/C=C/C=C/c3oc(=O)cc(OC)c3C)[C@H](O)[C@]2(C)[C@@]1(C)O 585138943 GPXPJKFETRLRAS-LLUOYTHXSA-N 418.486 2.734 0 30 HFAC CCOC(=O)/C(=C(/C)Nc1ccc(F)cc1)[C@@H]1CC(=O)N(c2cc(C)on2)C1=O 13463986 JJKOZYPEZLIHDX-BRYHAGSVSA-N 401.394 2.951 0 30 HFAC CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](OC(C)=O)CC[C@@H]4[C@@H]3C[C@@H](O)[C@@]2(O)C1 253497757 JLZRZHSWBPKHNI-ZXCQJRBTSA-N 408.535 2.978 0 30 HFAC COCCN(CC(=O)NC1CCCCC1)C(=O)CSc1nc2ccccc2o1 4375713 QYKHEEYKJOPECJ-UHFFFAOYSA-N 405.520 2.844 0 30 HFAC COc1ccc([C@@H]2[C@H]3CCc4ccccc4C3=NN2C(=O)CN2CCN(C)CC2)cc1 19835235 UJVVWGZXMYDGMZ-WIOPSUGQSA-N 418.541 2.793 0 30 HFAC COc1ccc(S(=O)(=O)Nc2ccc3oc(=O)c(NC(C)=O)cc3c2)cc1OC 1040713 XWSBCTJLWTZSMR-UHFFFAOYSA-N 418.427 2.569 0 30 HFAC COc1ccc([C@@H]2[C@@H]3CCc4ccccc4C3=NN2C(=O)CN2CCN(C)CC2)cc1 19835231 UJVVWGZXMYDGMZ-RCZVLFRGSA-N 418.541 2.793 0 30 HFAC CC(=O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C 95099163 DBGQLXXAKKEGFX-KFUQAJKQSA-N 402.531 2.870 0 30 HFAC biogenic,in-vitro COc1ccc([C@@H]2[C@@H]3CCc4ccccc4C3=NN2C(=O)CN2CCOCC2)cc1 19835239 ZHEJTCLGJIYIPX-ZJSXRUAMSA-N 405.498 2.877 0 30 HFAC Cc1ccc(N2CC(=O)N(NC(=O)Nc3cccc(C(F)(F)F)c3)CC2=O)cc1 1036167 IPXNSBNKHDCGQY-UHFFFAOYSA-N 406.364 2.926 0 30 HFAC COC(=O)[C@]12CN(C(=O)OCc3ccccc3)C[C@@H]1CN(C(=O)OC(C)(C)C)C2 953033676 CBEVDDOLPMNLTE-IERDGZPVSA-N 404.463 2.665 0 30 HFAC C[C@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Br)CCN1 32011363 ZBTVXBLYDBQQDF-VIFPVBQESA-N 424.270 2.734 0 30 HFAC CN(C)COCc1cc(-c2cn[nH]c2)ccc1NC(=O)[C@@H]1COc2ccccc2O1 575319693 ALGCFIUHMJVUMX-NRFANRHFSA-N 408.458 2.891 0 30 HFAC CC(C)S(=O)(=O)c1ccccc1Nc1nc(N[C@@H]2CCNC(=O)C2)ncc1Cl 1504000227 OHDOVNALQMZBAO-GFCCVEGCSA-N 423.926 2.746 0 30 HFAC CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](OC(C)=O)CC[C@@H]4[C@H]3C[C@@H](O)[C@@]2(O)C1 252428521 JLZRZHSWBPKHNI-KMASKLNSSA-N 408.535 2.978 0 30 HFAC CCOC(=O)CC(=O)CSc1nnc(NC(=O)c2c(F)cccc2F)s1 2157760 JFHKHITVEOQMAQ-UHFFFAOYSA-N 401.416 2.683 0 30 HFAC C=CC(=O)OCCOC(=O)Nc1ccc(C)c(NC(=O)OCCOC(=O)C=C)c1 33986554 SZJBBZFTGQMJRY-UHFFFAOYSA-N 406.391 2.550 0 30 HFAC COCc1cc(=O)[nH]c(SCCS(=O)(=O)c2ccc(Cl)cc2Cl)n1 13465203 CHRQBQJONTYGFG-UHFFFAOYSA-N 409.316 2.789 0 30 HFAC CC(=O)[C@@H](/N=N/c1ccc(S(=O)(=O)O)cc1[N+](=O)[O-])C(=O)Nc1ccc(C)cc1 111898573 GMMKWTOQRXHHRY-ZBBYCGENSA-N 420.403 2.830 0 30 HFAC CC(C)S(=O)(=O)c1ccccc1Nc1nc(N[C@H]2CCNC(=O)C2)ncc1Cl 1504000250 OHDOVNALQMZBAO-LBPRGKRZSA-N 423.926 2.746 0 30 HFAC CC(C)(C)OC(=O)N1C[C@H]2CN(C(=O)OCc3ccccc3)C[C@@](C(=O)O)(C2)C1 100130256 NKUKLRKOGRAUAF-IERDGZPVSA-N 404.463 2.967 0 30 HFAC CCOC(=O)[C@@H](CCc1ccccc1)N1C(=O)[C@H]2Cc3ccccc3CN2C(=O)[C@@H]1C 29561335 NDDYKENLGBOEPD-MTNREXPMSA-N 420.509 2.735 0 30 HFAC COC(OC)c1cc(=O)[nH]c(SCC(=O)Nc2ccc(C(F)(F)F)cc2)n1 5176655 ZCGRJMKKUYGRMN-UHFFFAOYSA-N 403.382 2.811 0 30 HFAC O=C(CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc2c(c1)OCCO2 4324532 ZVJNVKYDLTVMMD-UHFFFAOYSA-N 407.392 2.877 0 30 HFAC c1ccc(COCCOCCOCCOCCOCCO[C@@H]2CCCCO2)cc1 38968079 WQRPIBUKQARHFH-JOCHJYFZSA-N 412.523 2.813 0 30 HFAC CCOC(=O)c1cnc(NNS(=O)(=O)c2ccc(Cl)cc2)nc1C(F)(F)F 1027275 DSQAYEQZLBCDPO-UHFFFAOYSA-N 424.788 2.631 0 30 HFAC CC(=O)Nc1cccc(OCCCNC(=O)CCc2nc(-c3ccccn3)no2)c1 4334201 UDQKZTFTFPJMRG-UHFFFAOYSA-N 409.446 2.608 0 30 HFAC CCc1ccc(-n2nnnc2SCC(=O)NCCSCc2ccco2)cc1 4364849 JESNMYGMPAHSEQ-UHFFFAOYSA-N 403.533 2.959 0 30 HFAC CC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N/c1cc(S(C)(=O)=O)c([N+](=O)[O-])cc1O 111871989 MOWONGIRBKAENJ-VRTBNJGNSA-N 417.403 2.579 0 30 HFAC O[C@H](CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc2c(c1)OCCO2 19924806 XMQLESRIPICZMY-MRXNPFEDSA-N 409.408 2.727 0 30 HFAC Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc4nccnc4c3)cc2)no1 1034198 JKEJHTDYSCYANZ-UHFFFAOYSA-N 409.427 2.979 0 30 HFAC Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cc1 1027615 FZLKENUNCCYENE-UHFFFAOYSA-N 407.473 2.893 0 30 HFAC COc1ccc(C(C)(C)OC(=O)N[C@H](CC(=O)OC(C)(C)C)C(=O)O)c(OC)c1 38138672 YQFSUUQQJVOCMJ-CQSZACIVSA-N 411.451 2.850 0 30 HFAC CCOC(=O)COc1c(Br)cc(/C=C2\SC(=N)NC2=O)cc1OC 33692077 DKIKDEFWMHEGNN-WDZFZDKYSA-N 415.265 2.538 0 30 HFAC COc1ccc(C(=O)c2ccc(OC)cc2N2CCOCC2)c(N2CCOCC2)c1 196727844 MYRKUELKKDNARR-UHFFFAOYSA-N 412.486 2.608 0 30 HFAC O=C(O)C[C@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)CCS1(=O)=O 669372206 LVUXMQFWQRXKER-AWEZNQCLSA-N 415.467 2.509 0 30 HFAC COc1ccc([C@H]2[C@H]3CCc4ccccc4C3=NN2C(=O)CN2CCOCC2)cc1 19835245 ZHEJTCLGJIYIPX-URXFXBBRSA-N 405.498 2.877 0 30 HFAC CC(C)[C@](C)(O)[C@@H]1CN(c2nc(-c3n[nH]c4ncccc34)c(F)cc2Cl)CCN1 114617798 HXWARSZQGAFXJM-YWZLYKJASA-N 418.904 2.998 0 30 HFAC CC(n1cc([C@H](N)C(=O)O)c2ccccc21)n1cc([C@H](N)C(=O)O)c2ccccc21 2504587 AZGHGVJGUPHIBW-PMACEKPBSA-N 406.442 2.832 0 30 HFAC O[C@@H](CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc2c(c1)OCCO2 19924804 XMQLESRIPICZMY-INIZCTEOSA-N 409.408 2.727 0 30 HFAC Cc1nn(C)c(OCC(F)(F)F)c1-c1noc(C)c1C(=O)NCc1ccccn1 1616057456 RWUXKRQIYOMECG-UHFFFAOYSA-N 409.368 2.958 0 30 HFAC O=C(NCc1ccc2c(c1)OCO2)[C@H]1CC(=O)N(CCc2ccc(Cl)cc2)C1 1035218 RNEUGNHNGRYZDE-INIZCTEOSA-N 400.862 2.776 0 30 HFAC Cc1nnc2n1C[C@@H](C(=O)O)N(C(=O)OCC1c3ccccc3-c3ccccc31)C2 400367737 REEFESJASHDRPY-IBGZPJMESA-N 404.426 2.804 0 30 HFAC CCn1c(=O)c2[nH]c(/C=C/c3ccc(OC)c(OC)c3Cl)nc2n(CC)c1=O 33984752 ZNDCDCSHKOAZIS-CSKARUKUSA-N 404.854 2.767 0 30 HFAC CCOC(=O)n1nc(I)c2c1CCN(C(=O)OC(C)(C)C)C2 38652666 FRAWZJLOFZNXAS-UHFFFAOYSA-N 421.235 2.786 0 30 HFAC CO[C@H]1[C@@H]2O[C@@H](c3ccccc3)OC[C@H]2O[C@H](OCc2ccccc2)[C@@H]1NC(C)=O 95921693 ABWUPDKLMGPJJS-GNWGRXFHSA-N 413.470 2.562 0 30 HFAC O=C1CN(c2ccc(OC(F)(F)F)cc2)C(=O)CN1Cc1ccc2c(c1)OCO2 1041547 YZVQQOPCMGIXNW-UHFFFAOYSA-N 408.332 2.689 0 30 HFAC COc1ccc(OC[C@@H](O)CNS(=O)(=O)c2cc(Cl)sc2Cl)cc1 1032840 LHIYSFBTZFZVAN-VIFPVBQESA-N 412.316 2.782 0 30 HFAC COc1ccc([C@H]2[C@@H]3CCc4ccccc4C3=NN2C(=O)CN2CCN(C)CC2)cc1 19835233 UJVVWGZXMYDGMZ-RDGATRHJSA-N 418.541 2.793 0 30 HFAC