smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cn1cnc2c1c(=O)n(CC(=O)OCC(=O)NNC(=O)c1cccs1)c(=O)n2C 825370745 YWPIGPZXXAOAQI-UHFFFAOYSA-N 420.407 -1.500 50 20 HAGD CC(=O)NCC(=O)NCC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 921165297 IUXONCUHAOXHSC-UHFFFAOYSA-N 404.471 -1.402 50 20 HAGD Cn1cncc1C=NNC(=O)C[C@@H](C(=O)NN=Cc1cncn1C)N1CCOCC1 1116384406 XEDDPYYLRYYXST-INIZCTEOSA-N 415.458 -1.155 50 20 HAGD O=C1C[C@@H](C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)CCN1 1784035049 OYOPFSBCXGHEAT-MGPUTAFESA-N 415.255 -1.664 50 20 HAGD O=C1CC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)=NN1 1786979882 VXOFZIREYVKEOA-NOLJZWGESA-N 414.227 -2.164 50 20 HAGD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)n1ccnn1 1800265737 DHCJVWDWTCORJD-FAYQHZLMSA-N 413.243 -1.578 50 20 HAGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cnccn1)C2 1801010832 XVWMJIJTBMJCGD-HBCWATKFSA-N 404.471 -1.018 50 20 HAGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCNC(=O)C1)C2 1801012301 UOFRAIWETNVFDB-FLTUCWPJSA-N 409.487 -1.525 50 20 HAGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1ccncc1=O)c1ccc(B(O)O)cc1 1801256119 FYOPLBXGDNGDMU-BJWYYQGGSA-N 410.239 -1.125 50 20 HAGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCO1)CCO2 1840015842 RTOWRARQBAWTTM-HNAYVOBHSA-N 412.487 -1.005 50 20 HAGD CC(C)OCCS(=O)(=O)NCC(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1 748837827 LFZAHEADLJXSGV-ZIAGYGMSSA-N 408.521 -1.023 50 20 HAGD CC(=O)NCC(=O)NCC(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12 921166707 MIEINLSFUSOAMH-UHFFFAOYSA-N 402.411 -1.009 50 20 HAGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=N)N)C2 1782210868 UHMQABKZZBYSDU-FZKQIMNGSA-N 411.507 -1.644 50 20 HAGD Cn1ncnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1785849320 DSECSEPMPQDPDH-BPUTZDHNSA-N 413.243 -1.598 50 20 HAGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)N3CCOCC3)C[C@@H]21 1791255580 VQDOYKOIUZEQBA-BWJWTDLKSA-N 419.906 -1.130 50 20 HAGD Nc1n[nH]c(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)n1 1796188774 PWKJMBDENVWWFY-QDMKHBRRSA-N 412.259 -1.049 50 20 HAGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC=O)C2 1796443748 GHJSULBGITXJDP-YYOGFYRZSA-N 418.454 -1.156 50 20 HAGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 1840186079 ZDVUQAIWEQZILQ-HCCHORAYSA-N 424.498 -1.292 50 20 HAGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cn(C)c(=O)n(C)c2=O)c1 735028717 NVCVALROZCTWKZ-UHFFFAOYSA-N 409.424 -1.591 50 20 HAGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cn(C(C)(C)C)nn2)n(C)c1=O 790785163 WNLXSFMQKHBDKD-UHFFFAOYSA-N 403.403 -1.759 50 20 HAGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)C1 1835127933 PCQSLMFQXAFPSR-IIYDPXPESA-N 403.863 -1.025 50 20 HAGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2 1835312211 PCQSLMFQXAFPSR-AHIWAGSCSA-N 403.863 -1.025 50 20 HAGD COC(OC)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835933987 JMTKZMZFVYABQS-IBGZPJMESA-N 422.243 -1.945 50 20 HAGD O=C(Cn1ccccc1=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1835993727 GMMVZMBKWUGDAZ-RDTXWAMCSA-N 413.858 -1.096 50 20 HAGD CCCNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)[C@H]2COCCO2)c2ccccc2O1 764431758 FQUAFNHCWQDKDC-LSDHHAIUSA-N 420.422 -1.130 50 20 HAGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C2(C)COC(C)(C)OC2)n(C)c1=O 775617521 ZQXVPUWXAQAAQD-UHFFFAOYSA-N 408.415 -1.630 50 20 HAGD COCc1cc(C(=O)OC)cc(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 793392319 IKDSSOMLABSNJR-SECBINFHSA-N 423.469 -1.133 50 20 HAGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)c1ccc(B(O)O)cc1 1786978586 APPITHJNFPDIEY-HNKHHVNMSA-N 410.663 -1.441 50 20 HAGD N=C(N)NCC(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809976810 RMJFJSSGQQUOLC-UHFFFAOYSA-N 401.276 -1.306 50 20 HAGD O=C(c1cnc(O)nc1O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830727683 AYMNLLXTWZWFAH-BZNIZROVSA-N 416.818 -1.443 50 20 HAGD CC[C@@H](NC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1835910592 WZDTYTWTFRXASF-YLJYHZDGSA-N 419.287 -1.566 50 20 HAGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@H]3F)C2)C1 1835931235 JAALBMXQCJBJCM-FRQCXROJSA-N 406.219 -1.206 50 20 HAGD N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837456373 HAQVXNKSDKRDLP-GOSISDBHSA-N 402.411 -1.331 50 20 HAGD CC[C@H](N=c1nn[nH]n1-c1ccccc1)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 729512875 UZWKOTIBZOXMQH-YPMHNXCESA-N 407.456 -1.143 50 20 HAGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)CNC(=O)CNC(C)=O 919508191 XIFRZEIADLAFIS-UHFFFAOYSA-N 414.802 -1.095 50 20 HAGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)[C@H]2CCS(=O)(=O)C2)CC1 1328572728 BSDINJMCFJERAV-LBPRGKRZSA-N 417.513 -1.105 50 20 HAGD O=C(C[C@H]1NC(=O)NC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1785149078 FQZWMTQCBPZNLV-HGCLJGPKSA-N 402.835 -1.836 50 20 HAGD COCCOCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1795353422 FUAPDZREUVQNFN-JLVBRIDZSA-N 406.244 -1.767 50 20 HAGD CCC(=O)NNC(=O)[C@@H](C)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 1319375307 SCEKATUZUXPJSV-VXGBXAGGSA-N 410.518 -1.933 50 20 HAGD O=C(Cc1cncnc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1785390678 LMDOGEXDCYHMHL-WDSOQIARSA-N 424.266 -1.008 50 20 HAGD CC(=O)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786983767 RLZJWJHNMDDDMP-XIRDDKMYSA-N 403.244 -1.904 50 20 HAGD CN(C)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788610653 OLTGHCQMRKGPQP-RCBQFDQVSA-N 404.471 -1.160 50 20 HAGD CC[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1830518224 AYNNQPPYWQYVTF-LPHOPBHVSA-N 406.244 -1.793 50 20 HAGD Cn1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cc1O 1833401133 SQSDLHGPCGGUQB-WBMJQRKESA-N 402.835 -1.205 50 20 HAGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 728510473 ZTSHDWHKMBHEFF-SSDOTTSWSA-N 408.433 -1.042 50 20 HAGD C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)C1=O 744918504 JEZBPBMPMAMBAT-UHFFFAOYSA-N 413.346 -1.161 50 20 HAGD CC(C)NC(=O)C(=O)NNC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 746103834 WCLVOVROVINVSI-JTQLQIEISA-N 411.440 -1.641 50 20 HAGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@@H]2CCC[C@H](C(N)=O)C2)n(C)c1=O 787125206 FYVBLSRLROZCAF-VHSXEESVSA-N 405.415 -2.127 50 20 HAGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCCC1=O 1795452984 UVVXYVQXKIBGGV-HBCWATKFSA-N 409.487 -1.429 50 20 HAGD CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835934240 RDTRSXFMVCRSGW-HXUWFJFHSA-N 415.255 -1.014 50 20 HAGD CCOCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935391 DNFBYFOVELUIGR-IBGZPJMESA-N 406.244 -1.527 50 20 HAGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccn3)C2)C1 1840183849 DRZVXTGSISPWQE-LJQANCHMSA-N 422.486 -1.288 50 20 HAGD C[C@H](CCC(=O)NNC(=O)N1CCOCC1)CC(=O)NNC(=O)N1CCOCC1 729841138 FXKUKWXRXVJZPX-CYBMUJFWSA-N 414.463 -1.061 50 20 HAGD Cn1cc(/C=C/C(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)c(=O)n(C)c1=O 744626211 QJNOHSBKJPZDET-VOTSOKGWSA-N 411.374 -1.027 50 20 HAGD CC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1790865090 FNJDYEUITQMMRD-FRJURHEUSA-N 417.271 -1.516 50 20 HAGD Cc1ncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)cn1 1795732513 OCZNAIUQNRSMGE-ALXJQNPVSA-N 410.239 -1.018 50 20 HAGD O=C([C@H](O)N1CCOCC1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011599 UOTNHSOSUSOGEY-KRWDZBQOSA-N 403.244 -2.166 50 20 HAGD COc1cc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc(Cl)c1OCC(N)=O 729275592 PXKJGTANLKULRC-ZETCQYMHSA-N 422.847 -1.089 50 20 HAGD COc1ccc(C(=O)NNC(=O)COC(=O)CCNS(C)(=O)=O)cc1OC 914648992 BMMRJCFYQUYCEJ-UHFFFAOYSA-N 403.413 -1.053 50 20 HAGD C=CC(=O)N[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1779279343 ZCNLMGAISYYSTN-JLTOFOAXSA-N 415.255 -1.499 50 20 HAGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cnc(O)[nH]3)C2)C1 1779641884 NGHMFJSMVKJMHO-GOSISDBHSA-N 400.200 -1.448 50 20 HAGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccnc3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979538 WBKBFWCUCACCPD-SZMVWBNQSA-N 412.255 -1.144 50 20 HAGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)[C@@H]1[C@H]2COC[C@H]21 1791837677 CYDDUAMNIJXSCN-AJBKFOBHSA-N 414.267 -1.148 50 20 HAGD Cc1ncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)cn1 1795737255 KYUCQXJXMCKGAE-ALXJQNPVSA-N 410.239 -1.018 50 20 HAGD Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)n[nH]1 1797851470 AJAQPCPXQDCQDV-CCWDJLKJSA-N 412.255 -1.156 50 20 HAGD CC(C)[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835933772 CMUNTVHLMGAKLD-FXAWDEMLSA-N 420.271 -1.547 50 20 HAGD CCOc1ccc(NC(=O)C(=O)NNC(=O)CN(C)C)cc1S(=O)(=O)N(C)C 764203078 FYCGRYODVFOAQJ-UHFFFAOYSA-N 415.472 -1.017 50 20 HAGD CN(C)S(=O)(=O)c1ccc(O)c(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 766986594 HPYUARVPAKOBCT-VIFPVBQESA-N 405.454 -1.162 50 20 HAGD CCn1nc(C)c(CC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1C 794394443 YDOWTDGYJBCGAC-UHFFFAOYSA-N 416.442 -1.343 50 20 HAGD CN1CCN(CC(=O)N2CC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)CC1 1778263557 HTWYZKIWVLTMGE-HXUWFJFHSA-N 424.546 -1.563 50 20 HAGD N=C1NCCN1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830722949 KWAUZZUVUBNZSB-LRDDRELGSA-N 403.867 -2.118 50 20 HAGD CC(C)[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1830863858 KAPHPJCAXOPQJL-YLJYHZDGSA-N 420.271 -1.547 50 20 HAGD CC(C)CCn1cc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)nn1 765729317 XATMGPIBECDQLU-UHFFFAOYSA-N 417.430 -1.468 50 20 HAGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)CN(CCO)CCO)C2)C1 1783262305 KLLFKZWAEUWTFC-RHSMWYFYSA-N 407.895 -1.643 50 20 HAGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ncon1 1789086126 LJMWJWRETHJLPQ-QEJZJMRPSA-N 400.200 -1.344 50 20 HAGD NC(=O)CC[C@H](N)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1834672515 OUBPRQUGPIQQJK-GJZGRUSLSA-N 417.938 -1.250 50 20 HAGD COCCO[C@H](C)C(=O)NNC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 748629130 ZRHHIYZNTHLXHJ-CQSZACIVSA-N 423.474 -1.103 50 20 HAGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CSCC(F)(F)F)n(C)c1=O 761487627 KVOIAQWSWUTBJE-UHFFFAOYSA-N 408.362 -1.123 50 20 HAGD 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411.223 -1.502 50 20 HAGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 729274730 BKJVROQEEZQAPF-SECBINFHSA-N 404.470 -1.174 50 20 HAGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)C[C@H]1NC(=O)NC1=O)CCO2 1783933062 BTUAMHUCIXYNCN-XIKOKIGWSA-N 424.458 -2.213 50 20 HAGD C/C(=C/C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1)C(=O)O 1786986756 DYGDHUWXTAACDR-SUILRRHFSA-N 416.239 -1.009 50 20 HAGD COC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1831622802 HCCBQHSAIYBEQW-YWZLYKJASA-N 420.271 -1.281 50 20 HAGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(CCO)CCO)CCO2)C1 1839918656 CFUVJUJHDBQDNG-MAUKXSAKSA-N 421.922 -1.253 50 20 HAGD Cc1nc(S(=O)(=O)NCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cn1C 725877848 IPJBZORDTBRGKX-CYBMUJFWSA-N 409.424 -1.006 50 20 HAGD COc1ccc(C(=O)NNC(=O)COC(=O)Cn2ccc(O)nc2=O)cc1OC 729831117 SILWEEBTVFDFLJ-UHFFFAOYSA-N 406.351 -1.030 50 20 HAGD Cc1ccc(S(=O)(=O)NCC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1C 810345819 RMNGYWXFAZJEND-NSHDSACASA-N 406.486 -1.333 50 20 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403.403 -1.107 50 20 HAGD CN(C)c1c(C=NNC(=O)Nc2ccc(S(N)(=O)=O)cc2)c(=O)n(C)c(=O)n1C 814970089 TUCUMNKCNHEZEM-UHFFFAOYSA-N 423.455 -1.047 50 20 HAGD O=C1CC[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)N1 1786984408 KTUHXOQOKREUKL-HJWJTTGWSA-N 415.255 -1.762 50 20 HAGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(N)=O)C[C@@H]21 1788609731 DNOOMMBRGOODJW-CQDKDKBSSA-N 418.454 -1.456 50 20 HAGD CC(=O)NCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1790872720 OHANBDIIYPSJLK-SZMVWBNQSA-N 417.271 -1.514 50 20 HAGD CC(=O)N(C)[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801011626 WHLHLYNERNLXIF-FRQROOTJSA-N 411.503 -1.184 50 20 HAGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@@H](N)C(N)=O)C2 1801012894 BJSJPVNSEYCCEG-IPJQOSJUSA-N 412.491 -2.458 50 20 HAGD C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1829762582 LZXFJFBYDATYAP-QHFJSOCWSA-N 415.874 -1.099 50 20 HAGD CC(=O)NC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1831466071 MALVYHSKUKJVHG-CXAGYDPISA-N 405.879 -1.043 50 20 HAGD COC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837727439 KLHSNPRXNAOSGN-JJRVBVJISA-N 421.878 -1.806 50 20 HAGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2nc3ccccn3n2)n(C)c1=O 760029270 CMYLDXAWYQMJPW-UHFFFAOYSA-N 412.370 -1.671 50 20 HAGD Cc1ccn2ncc(C(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)c2c1 766857559 XCIQDXONLYYJSZ-UHFFFAOYSA-N 410.394 -1.149 50 20 HAGD CCN=c1nc(NCC)n2c(SCC(=O)NNC(=O)C(=O)NC3CC3)n[nH]c2n1 917390950 CMXCNCKGDXSKIQ-UHFFFAOYSA-N 422.475 -1.677 50 20 HAGD COC(OC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1784288911 RTAYKPXRKWREHH-CQDKDKBSSA-N 421.454 -1.103 50 20 HAGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cncnc1 1794166483 CJQYKUZNNZGRJJ-CCWDJLKJSA-N 404.471 -1.018 50 20 HAGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC=O)C2 1796443745 GHJSULBGITXJDP-KXWUJALOSA-N 418.454 -1.156 50 20 HAGD CS(=O)(=O)CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798439251 SKOOZHMZCKFGQY-ZSBIGDGJSA-N 409.468 -1.019 50 20 HAGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(O)O)CCO2 1830398424 RMTFGEAGVLZPDG-KRWDZBQOSA-N 409.399 -2.934 50 20 HAGD O=C(CN1CCOC1=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830726054 OAPVLQOEZSRLLJ-BLLLJJGKSA-N 405.835 -1.505 50 20 HAGD O=C(CN1CCOC1=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1831012364 ANKQTQPNSXQDIE-MLGOLLRUSA-N 405.835 -1.505 50 20 HAGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnn(C)c1)CCO2 1834176035 BTOSLRPHFKIBLH-IBGZPJMESA-N 422.486 -1.137 50 20 HAGD COCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837457436 BIZYFGRPVAGZIT-GOSISDBHSA-N 407.427 -1.599 50 20 HAGD C[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCO2 1839079748 LFHAYVZQKHRFSW-WFGGJUAMSA-N 420.304 -1.051 50 20 HAGD C[C@H](NC=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839159583 AFSWYZWDEUESKL-LIRRHRJNSA-N 419.243 -2.429 50 20 HAGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(N)=O)C2)C1 1840036394 RLIHTJCJNAGGNL-QMTHXVAHSA-N 407.265 -1.106 50 20 HAGD Cn1cc(S(=O)(=O)NCC(=O)NNC(=O)CNC(=O)OCc2ccccc2)cn1 794061341 XAEYNKHYKLESBL-UHFFFAOYSA-N 424.439 -1.228 50 20 HAGD CNCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1786853476 LTRIVSCMOSEOSD-SZMVWBNQSA-N 403.288 -1.041 50 20 HAGD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1)n1cncn1 1795736980 QQSGAJAZUNSVCG-FAYQHZLMSA-N 413.243 -1.578 50 20 HAGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CNC(=O)O3)CCO2)C1 1831576658 VFDKYIFLQYHFPZ-WQGACYEGSA-N 405.835 -1.195 50 20 HAGD CN(C)C(=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935515 IHSSHYWHQJVSRH-IBGZPJMESA-N 419.243 -2.475 50 20 HAGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1840151802 NWCLRIIMPYVDHL-IGCXYCKISA-N 403.863 -1.025 50 20 HAGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)CC[C@@H](N)C(N)=O)C1 1842945937 OBOXHOQKRVHEPD-CYBMUJFWSA-N 403.443 -1.905 50 20 HAGD CC(=O)NCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1783140595 QSSDGAQPVCGBLB-SFHVURJKSA-N 404.427 -1.735 50 20 HAGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc(=O)n1O)CCO2 1783935613 APULOFFUCXPJAW-IBGZPJMESA-N 421.454 -1.098 50 20 HAGD CN(C)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837456478 IOGSRLJWJOMJSH-IBGZPJMESA-N 420.470 -1.683 50 20 HAGD CC[C@H](C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)N1CCCC1=O 766638860 KEPNILBXGNIBTC-SNVBAGLBSA-N 405.415 -2.018 50 20 HAGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3ncon3)CCO2)C1 1779032433 JUYLPNILGKGDPE-QGZVFWFLSA-N 401.383 -1.175 50 20 HAGD O=C(CCn1ccnn1)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1784529487 HTJWUNWAEWHODJ-IBGZPJMESA-N 413.243 -1.508 50 20 HAGD C=CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1 729275138 LXHIGWQKTQMTIK-JTQLQIEISA-N 404.470 -1.150 50 20 HAGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CCNC(=O)OC(C)(C)C)n(C)c1=O 765725938 WSHMINDLSPUYPY-UHFFFAOYSA-N 423.430 -1.504 50 20 HAGD O=C(CN1CCN(C(=O)C(=O)N2CCOCC2)CC1)NNC(=O)c1cccs1 795463397 HUPFGSZDUXPHNT-UHFFFAOYSA-N 409.468 -1.488 50 20 HAGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(CN(C(=O)CCn3cncn3)CCO2)C1 1783938401 XGBIEMQZCROELA-GOSISDBHSA-N 407.475 -1.129 50 20 HAGD O=C(c1cnc(O)nc1O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830727685 AYMNLLXTWZWFAH-ZBEGNZNMSA-N 416.818 -1.443 50 20 HAGD CC(C)NS(=O)(=O)NCCNC(=O)NNC(=O)[C@H]1COc2ccccc2O1 759581206 SDIQIPYTEFOYBM-CYBMUJFWSA-N 401.445 -1.011 50 20 HAGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc(C(N)=S)cc2)n(C)c1=O 765726817 GNTKBIXRGOUDLQ-UHFFFAOYSA-N 415.435 -1.471 50 20 HAGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ncc[nH]1)C2)c1ccc(B(O)O)cc1 1795737131 VOFOQPDJFBLLCQ-CCWDJLKJSA-N 412.255 -1.075 50 20 HAGD CC(=O)N/C(C)=C/C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801013013 PXDMNRDQJABUSF-UEAIPFNKSA-N 409.487 -1.011 50 20 HAGD NC(=O)[C@H](N)CCC(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833309438 UTDSSDPWHTUBPG-HUUCEWRRSA-N 417.938 -1.250 50 20 HAGD O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835932186 SIGPCFZYYFQAAS-IBGZPJMESA-N 416.195 -2.476 50 20 HAGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1839238132 VRPXGIQSWANRBJ-CJNGLKHVSA-N 401.851 -1.012 50 20 HAGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1 1840153201 HJLKVVULSIXTPC-BDJLRTHQSA-N 402.835 -1.428 50 20 HAGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O 728509788 NNRCZXSAKRPKNR-ZETCQYMHSA-N 404.426 -1.840 50 20 HAGD CCC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1793244361 DJDWIIQOMKSVAG-FRQROOTJSA-N 417.271 -1.516 50 20 HAGD O=C(C[C@H]1NC(=O)NC1=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796188285 LUNRYLRFSBXHRJ-LXTVHRRPSA-N 414.227 -1.784 50 20 HAGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)CNC(=N)N)[C@H]1c1cccnc1 1807061661 HKEPYVNLCLVMCA-KBXCAEBGSA-N 418.502 -1.057 50 20 HAGD COC(OC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1831029939 VNMOJDHYXSJOCB-LJQANCHMSA-N 422.243 -1.945 50 20 HAGD COC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835926197 IHMXURQDOMLASO-HXUWFJFHSA-N 420.271 -1.139 50 20 HAGD CC(C)NC(=O)CNC(=S)NNC(=O)CSc1nn(C)c(=O)n(C)c1=O 1115966106 KTGBNNHNVFPPID-UHFFFAOYSA-N 403.490 -2.409 50 20 HAGD CC[C@@H](C)[C@H](N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795734275 AKDRROARRVDPIL-CNGORYIKSA-N 403.288 -1.057 50 20 HAGD NC(=O)[C@@H](N)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796191211 LZPVGXJZRPOSDJ-FZKCQIBNSA-N 402.260 -1.789 50 20 HAGD CN(CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)C(=O)C(=O)O 1796193176 RDCXYOUPXFCYPO-QDMKHBRRSA-N 417.227 -1.839 50 20 HAGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3cnco3)C2)C1 1835934046 LCNHWJKKDXWQAK-LJQANCHMSA-N 415.211 -1.262 50 20 HAGD CCOCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840522304 LURDWIHRUMHEDS-FQEVSTJZSA-N 420.271 -1.137 50 20 HAGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)CN2CCOC2=O)C1 1841484227 UKPDTFXZTPSBPR-UHFFFAOYSA-N 402.411 -1.046 50 20 HAGD Cc1ccccc1CC(=O)NNC(=O)CN(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 764307747 HTIGREWHAZKNBB-HNNXBMFYSA-N 410.496 -1.080 50 20 HAGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccccc2[N+](=O)[O-])n(C)c1=O 915605290 AXKJFPKTRGIOJO-UHFFFAOYSA-N 401.339 -1.197 50 20 HAGD O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1318473169 PZEXGOLZNIYSHQ-KGLIPLIRSA-N 416.500 -1.718 50 20 HAGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@H]3NC(=O)NC3=O)[C@H]2C1 1785155013 QAQHOIOGCJNTTH-WJTVCTBASA-N 416.862 -1.182 50 20 HAGD Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)n[nH]1 1795740310 QWJYGOOEZUOVEZ-CCWDJLKJSA-N 412.255 -1.156 50 20 HAGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CC(=O)NC1=O)C2 1800757912 VZCGVEYECUEUQH-ORXSELOVSA-N 417.260 -1.089 50 20 HAGD CC(C)NC(=O)C(=O)NNS(=O)(=O)c1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1 728171204 UEMRQWZTDNMZDU-JTQLQIEISA-N 412.424 -1.042 50 20 HAGD Cc1cc(=O)n(C)cc1NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 756891088 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YZTVRHQKORTFGA-BFQNTYOBSA-N 407.851 -1.895 50 20 HAGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cnc(O)n(C)c2=O)cc1 751565139 DOLUFLBBALVTJF-UHFFFAOYSA-N 409.424 -1.124 50 20 HAGD CNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)[C@@H](C)OCCOC)c2ccccc2O1 764399874 MZDJCHUJOWNBGR-BXUZGUMPSA-N 408.411 -1.275 50 20 HAGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cnn(C)n3)CC2)cc1 786389424 BMIQUHQKYLULBJ-UHFFFAOYSA-N 421.483 -1.109 50 20 HAGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnnn3C)[C@H]2C1 1785467545 GWLPPJGRLVBWDP-YDHLFZDLSA-N 407.475 -1.219 50 20 HAGD Cn1nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc1O 1830726289 XKURZFDDCMYSQE-WBMJQRKESA-N 402.835 -1.205 50 20 HAGD CS(=O)(=O)N1CCN(CCNC(=O)NNC(=O)COc2ccccc2O)CC1 730825634 QYCLTXSFRXKRRQ-UHFFFAOYSA-N 415.472 -1.321 50 20 HAGD COc1cc(C)cc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1O 768290687 MLCBVSFJSRJGFY-UHFFFAOYSA-N 416.394 -1.082 50 20 HAGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)ncn1 1793495128 XYYTXBFVTYQZBP-DPIQGUFMSA-N 406.443 -1.242 50 20 HAGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)CNC1=O 1793764684 VKQVERJEMBYNPD-FBKDDSFISA-N 402.835 -1.618 50 20 HAGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(CO)on1)C2)c1cccc(B(O)O)c1 1795740265 MCIDFUISQGALGU-FVCICTRLSA-N 415.211 -1.636 50 20 HAGD Nc1n[nH]c(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)n1 1830731359 KQIFXEJJRZCZJH-ZBEGNZNMSA-N 416.866 -1.624 50 20 HAGD CC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839858388 ZTEPOAZLSJCFQX-IBGZPJMESA-N 419.243 -2.428 50 20 HAGD O=C(COC(=O)CN1CCS(=O)(=O)CC1)NNC(=O)c1cccc([N+](=O)[O-])c1 732323965 DOHMZIDTZYVIEA-UHFFFAOYSA-N 414.396 -1.371 50 20 HAGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cnc3n2CCCC3)n(C)c1=O 750788788 PNDAXAAUSUQRIK-UHFFFAOYSA-N 400.399 -1.572 50 20 HAGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccn(CCN2CCOCC2)n1 756644803 CBPVSRLPWDMQDR-LLVKDONJSA-N 403.465 -1.694 50 20 HAGD CCc1noc(CC)c1CC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765733792 YLNBDFAKOPHEJW-UHFFFAOYSA-N 417.426 -1.063 50 20 HAGD NNC(=O)c1ccncc1C(=O)N1CC[C@H](CNC(=O)C(O)O)[C@@H]1c1cccnc1 1802919210 BOETXBWZGWZNAE-DOMZBBRYSA-N 414.422 -1.290 50 20 HAGD CNC(=S)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837463053 YYWKVCDOUMTKPJ-BLLLJJGKSA-N 422.935 -1.474 50 20 HAGD O=C([C@H](O)CCl)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2 1839779797 OOPLRFCVMBEPRX-XJKCOSOUSA-N 424.903 -1.380 50 20 HAGD CC1CCC2(CC1)NC(=O)N(CC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)C2=O 729276554 GSCQUDZNBBOJNO-KGXJWFGYSA-N 403.461 -1.428 50 20 HAGD Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NNC(=O)[C@H]2COCCO2)C1 744642975 IPTUTEDTFWLOSF-QWHCGFSZSA-N 415.472 -1.010 50 20 HAGD C[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CN(CCO)CCO)CCO2)C1 1783539201 GMNKNHVBTNZWSC-BBRMVZONSA-N 422.320 -1.114 50 20 HAGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)N3CCOCC3)[C@H]2C1 1788655582 NUEJWBYOLDKJFH-PQKJENKHSA-N 419.906 -1.130 50 20 HAGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccnc3)C2)C1 1840183550 LRJUHUYRKGIDEC-IBGZPJMESA-N 422.486 -1.288 50 20 HAGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnn3C)C2)C1 1840183584 NIQGIUSNKFRQDT-IBGZPJMESA-N 422.486 -1.137 50 20 HAGD O=C(NNc1nccc(N2CCOCC2)n1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 1322601250 JMXRFMAKQUTKTL-OLZOCXBDSA-N 424.483 -1.208 50 20 HAGD O=C(c1nc[nH]c1[N+](=O)[O-])N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830728641 XFLMXMKWVAVPSC-BONVTDFDSA-N 417.806 -1.012 50 20 HAGD COCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1835229855 KDFILGPHJWBCRZ-LJQANCHMSA-N 406.244 -1.527 50 20 HAGD COCCOc1ccc(F)cc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764227740 RBTNUOZEQFQYES-SECBINFHSA-N 420.419 -1.126 50 20 HAGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCNS(C)(=O)=O)cc1 916294225 FSLFKRSEYZACMG-UHFFFAOYSA-N 421.501 -1.505 50 20 HAGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3cnc(O)[nH]3)C2)C1 1779642119 WESJXFRYKLZYSK-SFHVURJKSA-N 400.200 -1.448 50 20 HAGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2 1835316954 PCQSLMFQXAFPSR-XNJGSVPQSA-N 403.863 -1.025 50 20 HAGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=S)NCCc2cccnc2)n(C)c1=O 764515297 OGFSPXMQWRGMEW-UHFFFAOYSA-N 416.467 -1.433 50 20 HAGD Cc1c(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cnn1-c1ccccn1 765077098 HNQOHVHIWRPIIG-VIFPVBQESA-N 402.458 -1.177 50 20 HAGD CCOC(=O)CNC(=O)[C@H]1COCCN1CC(=O)NNC(=O)c1cccc(C#N)c1 781905754 QNBWXGCCOKIPAV-OAHLLOKOSA-N 417.422 -1.301 50 20 HAGD Cc1ccc(S(=O)(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 913173183 XQAKMJHQQFXOBI-UHFFFAOYSA-N 406.424 -1.248 50 20 HAGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cc(CO)on3)C2)C1 1780393129 QSJPGWMDLILFDI-LJQANCHMSA-N 415.211 -1.396 50 20 HAGD COC(=O)C1(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)CC1 1783214312 SCSSEXPNDYYQBO-LJQANCHMSA-N 416.239 -1.237 50 20 HAGD CCOC(=O)N[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](Cl)COC)C2 1797589224 FGWKPNMWLANQSC-CYRBOEJBSA-N 407.851 -1.106 50 20 HAGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cncnc1)C2 1801009598 QEMXPFRGGVIUQT-CCWDJLKJSA-N 404.471 -1.018 50 20 HAGD O=C(Cn1ccccc1=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830723151 LPYSDLAQBVMQBH-KSSFIOAISA-N 413.858 -1.096 50 20 HAGD O=C(CN(CCO)CCO)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830736483 SUMMKIJMHUCLIP-PBHICJAKSA-N 423.894 -2.671 50 20 HAGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782015422 MLILLUIEGRILSG-AUUYWEPGSA-N 408.455 -1.039 50 20 HAGD CS(=O)(=O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1795358869 PPMNKHQFUMKEEL-YWVIFJGQSA-N 410.257 -2.386 50 20 HAGD O=C1NC(=O)[C@@H](CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](F)Br)N1 1799344751 UXVFKLUJBPKADU-BEBVASNESA-N 421.223 -1.135 50 20 HAGD CC(=O)N/C(C)=C/C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1800174393 FSTLAYQTHBVPMK-UEAIPFNKSA-N 409.487 -1.011 50 20 HAGD CC(C)(O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835929638 ZRQGBDBXCLWZST-FQEVSTJZSA-N 420.271 -1.403 50 20 HAGD CCOC(=O)N[C@@H](O)C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844264468 WGSRBBFVFZFYKZ-AWEZNQCLSA-N 420.426 -1.433 50 20 HAGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cccc([S@@](C)=O)c2)n(C)c1=O 770247312 SZDIMDQGFIRGIQ-GDLZYMKVSA-N 418.435 -1.368 50 20 HAGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 1784041487 JXRSDUAFJSTGTQ-KUHUBIRLSA-N 409.487 -1.285 50 20 HAGD O=C(O)CSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830737452 HOXPPDRTXWUIJR-IAQYHMDHSA-N 410.876 -1.140 50 20 HAGD N=C(N)NCC(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1835570552 VSFLZTCJPJKHMR-AWEZNQCLSA-N 406.281 -1.289 50 20 HAGD Cn1nncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779029110 RAPOXPFOKAVWDQ-GOSISDBHSA-N 414.426 -1.429 50 20 HAGD O=C(Cn1cnnn1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1836148967 SNILZPBWTBHHAZ-AAEUAGOBSA-N 421.227 -1.180 50 20 HAGD CCC(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839829618 PDZPSSCPOWRXQO-IBGZPJMESA-N 404.228 -1.585 50 20 HAGD Cn1cnn(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1=O 778522115 OZXVXOJITJOUKM-UHFFFAOYSA-N 408.440 -1.173 50 20 HAGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)CCC(N)=O)C2)C1 1783147315 FDFDBMBMDCXTEL-SFHVURJKSA-N 404.427 -1.606 50 20 HAGD C/C(=C/C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1)C(=O)O 1786981870 DNCBHIKUIRBWMQ-ULMUJFMISA-N 416.239 -1.009 50 20 HAGD O=C(CCN1CCOCC1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1835440981 MQFDFNBIRYKVEZ-CRAIPNDOSA-N 419.906 -1.235 50 20 HAGD O=C(COCCO)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839193276 SIXPZLFWPDXBKF-IBGZPJMESA-N 422.243 -2.555 50 20 HAGD Cn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1cc(Br)c[nH]1)c(=O)n2C 24122758 SJNSHBJTTTXJHM-UHFFFAOYSA-N 424.215 -1.015 50 20 HAGD Cn1cc(C(=O)NNC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)cn1 746278297 IPXHRZPNIBWFEA-JTQLQIEISA-N 406.424 -1.118 50 20 HAGD C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNC(=O)CNC(=O)c1cccnc1 764343703 QWPDGGJUTPGSEH-SNVBAGLBSA-N 409.428 -1.941 50 20 HAGD Cn1c(=O)c2c(ncn2CC(=O)NNS(=O)(=O)C[C@H]2CCCCO2)n(C)c1=O 765125362 NLWAYFPPJBXMJA-SNVBAGLBSA-N 414.444 -2.047 50 20 HAGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNCP(=O)(O)O 1795522032 IAECLULMBIQQAB-NOHGZBONSA-N 413.795 -1.445 50 20 HAGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2)[C@H](O)N1CCOCC1 1797810612 YWQHXZXXPISNMH-ONQKKCPMSA-N 424.267 -1.083 50 20 HAGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CC(=O)NC1=O)C2 1800757914 VZCGVEYECUEUQH-XHSYRHOGSA-N 417.260 -1.089 50 20 HAGD Cc1ccc(C(=O)NNC(=O)CN[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1 734836166 AJQLZHAPXDSXMP-CVEARBPZSA-N 410.496 -1.157 50 20 HAGD COC(=O)C1(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)CC1 1783214255 RCXVUTSKIIISFR-IBGZPJMESA-N 416.239 -1.237 50 20 HAGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCn1ccnn1)C2)c1ccc(B(O)O)cc1 1795736720 COHRAABJHNSXOO-JLVBRIDZSA-N 413.243 -1.749 50 20 HAGD O=C1C[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H](O)CCl)CCO3)C2)CCN1 1830737165 DHLPLABCMHZMRU-IIYDPXPESA-N 403.863 -1.431 50 20 HAGD C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840841838 YLRHHVJPFARWFH-HXUWFJFHSA-N 400.240 -1.150 50 20 HAGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@@H]2Cc3cc(F)ccc3O2)n(C)c1=O 766638151 YDRSFKKXJYUYOT-LBPRGKRZSA-N 416.369 -1.276 50 20 HAGD Cc1ccn(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)n1 1795737284 ORTRYQGVMGGTQJ-HGKCTWBKSA-N 412.255 -1.225 50 20 HAGD N=C1NCCN1CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795737476 KONHSMNYBJMBJK-XOIINTDNSA-N 415.259 -2.590 50 20 HAGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1836214571 RGLISPDFOLWFCS-CZUORRHYSA-N 401.851 -1.012 50 20 HAGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(N2CCCS2(=O)=O)cc1 729275774 RLYQIIDBJGPAAE-SNVBAGLBSA-N 404.470 -1.075 50 20 HAGD CC(C)(C)C(=O)NNC(=O)CN1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 744386606 ITUFSQGDWVKUTQ-LBPRGKRZSA-N 424.545 -1.686 50 20 HAGD COC(=O)CNC(=O)NNS(=O)(=O)c1cc(C(=O)OC)sc1C(=O)OC 779846628 MKAXMTNDYDQGGD-UHFFFAOYSA-N 409.398 -1.013 50 20 HAGD CC[C@H](C)[C@H](N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1795550744 ZNHYIPRFEIMLLC-UIVXMWCNSA-N 403.288 -1.057 50 20 HAGD CC[C@H](NC(N)=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830727768 DKQGXUSVZYCIGS-MQIPJXDCSA-N 406.867 -1.511 50 20 HAGD C[C@](O)(CC(=O)O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830736902 BWRJLJXPVWDMED-JCURWCKSSA-N 422.862 -1.342 50 20 HAGD CCOC(=O)N[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837202210 QRGXLBNNQLFOCF-HSMVNMDESA-N 423.850 -1.893 50 20 HAGD C[C@@H](CS(C)(=O)=O)C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010369 IPLGVZXWMNMTTI-ZDUSSCGKSA-N 408.285 -1.136 50 20 HAGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)CN1C(=O)CNC1=O)C2 1844263464 HOUOFYJBAILVDO-UHFFFAOYSA-N 415.410 -1.946 50 20 HAGD C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)n1cnnn1 1784594395 HKQXTEQYEHFAIR-ACJLOTCBSA-N 414.231 -1.942 50 20 HAGD O=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)CCN1 1795736676 FAOWANAKVNVDMS-AFIMGQEJSA-N 415.255 -1.904 50 20 HAGD C[C@@H](O)c1cn(CC(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)nn1 766642359 HCCVSMFFVOHXCW-CQSZACIVSA-N 415.454 -1.063 50 20 HAGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCC(=O)N2CCOCC2)c1 776639007 DNXOXYALDWSIAI-UHFFFAOYSA-N 413.456 -1.260 50 20 HAGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2c[nH]nc2-c2ccoc2)n(C)c1=O 789984194 QFNFBXCFSKXFQI-UHFFFAOYSA-N 412.366 -1.122 50 20 HAGD Cc1noc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)n1 1830723206 LXQAQPTYIDFHDM-BLLLJJGKSA-N 402.835 -1.023 50 20 HAGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)C3CC(O)C3)C2)C1 1835926304 MDHAEDXZCBSFGV-MKJPBZQASA-N 418.255 -1.793 50 20 HAGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn(C)n3)C2)C1 1840183632 QJHZOSCJKZFBBN-GOSISDBHSA-N 423.474 -1.742 50 20 HAGD CN1CCC(NC(=S)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 1340495164 PWJCENKOEYMUSU-UHFFFAOYSA-N 408.488 -1.977 50 20 HAGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)CN1CC(=O)NC1=O)CCO2 1783933133 CNLMDBSPOYFQRI-SFHVURJKSA-N 424.458 -2.259 50 20 HAGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[C@@H]1CCCOC1 1802072734 SVOHAIHPAKQTGW-XLMAVXFVSA-N 402.256 -1.004 50 20 HAGD CC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830719499 FKGBIIQPCLZGFN-GRDNDAEWSA-N 405.879 -1.043 50 20 HAGD CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NNC(=O)C(=O)NC(C)C)c1 744446991 REOIVKXBQMUEJX-UHFFFAOYSA-N 415.472 -1.449 50 20 HAGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Cc2c[nH]c3ncccc23)n(C)c1=O 765723957 GNVTVBZPWFZJGW-UHFFFAOYSA-N 410.394 -1.300 50 20 HAGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@H]2CCC[C@H](C(N)=O)C2)n(C)c1=O 787125204 FYVBLSRLROZCAF-UWVGGRQHSA-N 405.415 -2.127 50 20 HAGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3nccn3)C[C@@H]21)c1ccc(B(O)O)cc1 1786981913 PKBJTOLOQXQWJU-XIRDDKMYSA-N 413.243 -1.749 50 20 HAGD O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2 1793942876 ZRNZHCPJNYZGBE-WJZNIJOASA-N 417.260 -1.041 50 20 HAGD NC(=O)CC[C@H](N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Br 1799346196 IUKFAXWYOVALFS-RWRJDSDZSA-N 409.256 -1.141 50 20 HAGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CNCP(=O)(O)O)C2 1802332809 FKMMCOLEGVWHME-CLLJXQQHSA-N 419.419 -1.278 50 20 HAGD O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 728385605 RZBOCESZBKSLSP-XIKOKIGWSA-N 420.447 -1.038 50 20 HAGD CC(=O)N1CSC[C@H]1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 766636538 OHZXOWRPLGQQLZ-VIFPVBQESA-N 409.428 -2.498 50 20 HAGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc3nn[nH]c3cc2F)n(C)c1=O 781955182 LVRHLITWEYFSLM-UHFFFAOYSA-N 415.345 -1.695 50 20 HAGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NNC(=O)N1CCN(C)CC1 788166325 LGUHXEFWSZRJSW-LLVKDONJSA-N 401.493 -1.308 50 20 HAGD CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NNC(=O)CN2CCCC2=O)cc1 789857059 OXFQBCACBIKEDE-UHFFFAOYSA-N 411.440 -1.307 50 20 HAGD C[C@@H](NC=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779037245 UKCUSXWHURAMII-KZULUSFZSA-N 404.427 -1.737 50 20 HAGD CC(=O)NCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1783188780 KBTFQRZVAOVXTQ-LJQANCHMSA-N 418.454 -1.345 50 20 HAGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc[n+]([O-])c1)C2)c1ccc(B(O)O)cc1 1795732512 NZJXPDMGGLLIGX-ALXJQNPVSA-N 411.223 -1.483 50 20 HAGD NC(=O)CC[C@H](N)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1795975326 LMMDKYQTVSCCEN-FZKCQIBNSA-N 402.260 -1.789 50 20 HAGD O=C(c1cnoc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835936859 GYTIFCSBEKAIKQ-LJQANCHMSA-N 415.211 -1.262 50 20 HAGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1C[C@H]1F)CCO2 1839096400 GWLOVKMABKZBHU-FRQCXROJSA-N 406.219 -1.206 50 20 HAGD COCCS(=O)(=O)CC(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 728328426 JPBLCVABBSIFHD-CYBMUJFWSA-N 416.408 -1.422 50 20 HAGD COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NNC(=O)C(=O)NC2CC2)C1=O 771236969 XIEXTMABGIWIEZ-GOSISDBHSA-N 403.395 -1.112 50 20 HAGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cnnn3C)CC2)cc1 798980382 NVJKNXIQBHTQNY-UHFFFAOYSA-N 421.483 -1.109 50 20 HAGD O=C(CCc1cn[nH]c1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1794063088 HSUBMGKQMRAODG-HGKCTWBKSA-N 412.255 -1.075 50 20 HAGD CC[C@H](NC)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835928774 YQJCCSAXXXZTAZ-FXAWDEMLSA-N 419.287 -1.566 50 20 HAGD CO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939793 IHIDRPWXPLLZQO-KUHUBIRLSA-N 406.244 -1.529 50 20 HAGD C[C@@H](CN)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837457867 TUDWWJZGAKPPPS-DJJJIMSYSA-N 420.470 -1.650 50 20 HAGD Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)NNC(=O)[C@H]2COCCO2)CC1 746004890 YMNHRQZOFGYXEB-GFCCVEGCSA-N 417.444 -1.246 50 20 HAGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc(CC(=O)N2CCN(C)CC2)cc1 764203671 BAOOFSBNIWOPGG-UHFFFAOYSA-N 404.471 -1.349 50 20 HAGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)C1=CN2CCS(=O)(=O)N=C2C=C1 769597903 WKAVHVCJMJGNBQ-UHFFFAOYSA-N 414.407 -1.079 50 20 HAGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2 1779030576 CXFPGDZMVYZKAA-AUUYWEPGSA-N 416.438 -1.593 50 20 HAGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1CCOC1=O)CCO2 1783933809 ZJAVAQDMIVDXGG-GOSISDBHSA-N 411.459 -1.359 50 20 HAGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NNC(=O)C3)C[C@@H]21 1791291055 JNOSAOVOQCPIGZ-OBJOEFQTSA-N 408.459 -1.785 50 20 HAGD CNC(=O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835933777 CZHVPBFHKHUDFP-LJQANCHMSA-N 419.243 -2.428 50 20 HAGD COc1ccc(C(=O)NNC(=O)COC(=O)CN2C(=O)CN(C)C2=O)cc1OC 749361089 HTTGPLNZOPWUNL-UHFFFAOYSA-N 408.367 -1.098 50 20 HAGD COCCn1cnc2c1c(=O)n(CC(=O)NNC(N)=O)c(=O)n2Cc1ccccc1 798277098 WBUYZBSTWCCFEY-UHFFFAOYSA-N 415.410 -1.246 50 20 HAGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)C1CC(O)C1 1783999267 IPHWTTRIGXMSTJ-VPZVSGPOSA-N 402.256 -1.269 50 20 HAGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccn(C)c1=O 1793550248 VQDWJWSXZLSESG-ZSBFGKGUSA-N 419.482 -1.039 50 20 HAGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(C)(=O)=O 1795361411 NQXHBQFSFIOXGN-DRXBFXEBSA-N 404.489 -2.006 50 20 HAGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCO1)CCO2 1840013756 UFHGINAIYHXNNA-FXAWDEMLSA-N 418.255 -1.385 50 20 HAGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CS(C)(=O)=O)C2)C1 1840151882 PYBGKMUUUYRLCG-WFASDCNBSA-N 412.892 -1.259 50 20 HAGD O=C(O)CSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840191155 KGRBSGOKIIQQRV-ABAIWWIYSA-N 410.876 -1.140 50 20 HAGD COCCNS(=O)(=O)c1cccc(CNC(=O)NNC(=O)[C@@H]2COCCO2)c1 745830476 ANORYTWEEHNMLO-AWEZNQCLSA-N 416.456 -1.143 50 20 HAGD COC(=O)CCc1cccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 786417575 RXWWXNUYDQYMBY-JTQLQIEISA-N 414.440 -1.184 50 20 HAGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(S(=O)(=O)N(C)C)cn1 797652646 MEKWBXMDXPBIEU-QMMMGPOBSA-N 408.462 -1.578 50 20 HAGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)[C@H](O)CCl 1784089750 HKCLAMGAWSLTLC-HNKHHVNMSA-N 410.663 -1.441 50 20 HAGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ncccn1)C2)c1ccc(B(O)O)cc1 1795732494 MRYQXVRZKOXMRF-CCWDJLKJSA-N 410.239 -1.398 50 20 HAGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)[C@@H](O)N1CCOCC1)C2 1844264355 JTYPDMKGYQJMQE-QGZVFWFLSA-N 418.454 -1.847 50 20 HAGD 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405.879 -1.043 50 20 HAGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2nc3ncccn3n2)C1 1843717946 FVRKLEOHLKYMKM-UHFFFAOYSA-N 406.211 -1.065 50 20 HAGD O=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)NNC(=O)C(=O)NC1CC1 726619709 SGKYWDYHCJGOBF-UHFFFAOYSA-N 412.424 -1.448 50 20 HAGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CNC(=O)C2CCCCC2)n(C)c1=O 765732495 WDGSWPSRPPTEMY-UHFFFAOYSA-N 419.442 -1.722 50 20 HAGD CC1CCN(S(=O)(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 808098533 PDULUHXHXFVWAE-UHFFFAOYSA-N 413.460 -1.969 50 20 HAGD CC(C)[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1784183955 RNHYMIYOLWMWRM-LEUOFYLZSA-N 404.272 -1.023 50 20 HAGD O=C1NC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)O1 1795733003 VXEGSNLYABKRAW-NEBZKDRISA-N 403.200 -2.322 50 20 HAGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CC(=O)C1 1802009999 AQOJSHZFWWPGGP-DRXBFXEBSA-N 401.423 -1.133 50 20 HAGD O=C1CN(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Cl)C3)C2)C(=O)N1 1832476545 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50 20 HAGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccn(Cc2ccccc2)n1 764234328 XIBBPQORMLOPEK-LLVKDONJSA-N 408.440 -1.045 50 20 HAGD CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(-n2cnnn2)cc1 764818291 RAAIIBCYBLJOCF-UHFFFAOYSA-N 422.409 -1.050 50 20 HAGD CN(CCOc1ccc(S(N)(=O)=O)cc1)C(=O)NNC(=O)[C@@H]1COCCO1 814308702 QGSDDZVGEYUKOO-ZDUSSCGKSA-N 402.429 -1.199 50 20 HAGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)Cn1cnnn1 863950067 PEMQDIRQSXZXAA-UHFFFAOYSA-N 423.455 -1.526 50 20 HAGD CCOC(C)(OCC)C(=O)NNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 1350948196 NRKFCNFSFZMHDT-NWDGAFQWSA-N 405.473 -1.041 50 20 HAGD O=C(c1cccc(B(O)O)c1)N1CCC(OC2CCN(C(=O)C(O)O)CC2)CC1 1836630825 OURFPUDOPGSOCR-UHFFFAOYSA-N 406.244 -1.711 50 20 HAGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)[C@@H]2COCCO2)[C@H](C)O)cc1 779526190 QEEBOBNPIVHHEA-UBHSHLNASA-N 401.441 -1.414 50 20 HAGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)[C@@H]2CCS(=O)(=O)C2)CC1 1328572725 BSDINJMCFJERAV-GFCCVEGCSA-N 417.513 -1.105 50 20 HAGD Cn1ncnc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984645 TZMOCCGUCDGSJQ-BPUTZDHNSA-N 413.243 -1.598 50 20 HAGD Cn1ccnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1794875152 YSRMFVJXMPKZTB-JJLQDPRZSA-N 413.438 -1.064 50 20 HAGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccnn3)C2)C1 1840184078 QBTFXOWYCKQMMX-GOSISDBHSA-N 423.474 -1.893 50 20 HAGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cn[nH]c3)C2)C1 1840184131 USSKPRMYMKEOCI-GOSISDBHSA-N 408.459 -1.147 50 20 HAGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(N)=O)C2)C1 1840186915 GNIWWFMEORXXOQ-KRWDZBQOSA-N 414.463 -2.516 50 20 HAGD O=C(Cn1ccc(=O)[nH]c1=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 15633397 SQPAHQFJZVFHLP-UHFFFAOYSA-N 421.435 -1.218 50 20 HAGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc3c(c2)ncn3C)n(C)c1=O 753656656 OXNGYZYNFNNTOP-UHFFFAOYSA-N 410.394 -1.218 50 20 HAGD CN(C)CC(=O)NNC(=O)C(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 806978036 JKQOBPZZAGVCHT-STQMWFEESA-N 403.439 -1.269 50 20 HAGD CC(=O)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984978 FUKLMYPAEDVCFN-XIRDDKMYSA-N 403.244 -1.904 50 20 HAGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)[C@H]1SC(=N)NC1=O 1796422844 LWXLFOKHUARWNC-ANNWIZPPSA-N 418.903 -1.022 50 20 HAGD COC(OC)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1831040634 CFOVHIKSVSZTNO-SFHVURJKSA-N 416.475 -1.565 50 20 HAGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)C(O)O 1833220608 MTSIHWKXLJTIBN-UHFFFAOYSA-N 405.260 -2.138 50 20 HAGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C=CCN3)C2)C1 1835928320 KLAMFXKHJOEGOK-PXNSSMCTSA-N 415.255 -2.036 50 20 HAGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc(-n3cccn3)ccn2)n(C)c1=O 765729826 HPOSHXXLOLZCIJ-UHFFFAOYSA-N 423.393 -1.524 50 20 HAGD O=C(CN1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1)NNC(=O)c1ccc(F)cc1 1319881397 YICLFIHQICYFML-LSDHHAIUSA-N 414.459 -1.638 50 20 HAGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)CCn3ccnn3)C2)C1 1784537717 KERIUVPSDDGNHQ-GOSISDBHSA-N 407.475 -1.129 50 20 HAGD O=C(CCn1cncn1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840355963 QYKSEKKRMCTLCA-CZUORRHYSA-N 401.851 -1.276 50 20 HAGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)C=CC1=O)C2 1801012323 VPQBHVQTQDYOSH-DBWKPXFBSA-N 421.454 -2.126 50 20 HAGD CC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835929455 POINIYJECWNJKZ-HXUWFJFHSA-N 418.255 -1.194 50 20 HAGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1840151801 NWCLRIIMPYVDHL-GDZNZVCISA-N 403.863 -1.025 50 20 HAGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cnn(CCN2CCOCC2)c1 756826174 BDQLQTLHZSENCK-NSHDSACASA-N 403.465 -1.694 50 20 HAGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(C)C(=O)C(=O)O)C[C@@H]21 1791257361 BPUFGKNNIZJRDX-RVMXOQNASA-N 419.862 -1.237 50 20 HAGD CC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791293203 NPKZTABXAYOBSE-OEAJRASXSA-N 411.503 -1.136 50 20 HAGD Cc1nn(C)cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1793542623 WEBIWBSDYBRYBE-JLVBRIDZSA-N 412.255 -1.075 50 20 HAGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1800974011 KBVDFVYVPDNQMF-OOTJXSFTSA-N 402.835 -1.572 50 20 HAGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccccc1=O)C2 1801012897 BJWJGMIROGUDJM-YVWYUNDQSA-N 419.482 -1.189 50 20 HAGD N=C1NCCN1CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1835632150 FNCSYMBROWWAID-WBMJQRKESA-N 403.867 -2.118 50 20 HAGD Nc1n[nH]c(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)n1 1837268713 NERKIEMLROEVLZ-MEDUHNTESA-N 416.866 -1.624 50 20 HAGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccn3)C2)C1 1840183515 IYDDNHPECQUGBM-LJQANCHMSA-N 420.470 -1.080 50 20 HAGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCOC1)CCO2 1840534822 VMFPEGDBFCHLMG-JXFKEZNVSA-N 418.255 -1.527 50 20 HAGD O=C([C@H](O)N1CCOCC1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014194 JIABVWMIVWHIGZ-KRWDZBQOSA-N 403.244 -2.166 50 20 HAGD Cn1ncc2c(=O)n(CC(=O)NNC(=O)c3csc(N4CCOCC4)n3)cnc21 10292211 FRZMEIRRMSKNII-UHFFFAOYSA-N 418.439 -1.116 50 20 HAGD CCc1csc(CC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)n1 801171947 MOFVKSQFAICLLU-UHFFFAOYSA-N 405.440 -1.157 50 20 HAGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3ncon3)CCO2)C1 1779032432 JUYLPNILGKGDPE-KRWDZBQOSA-N 401.383 -1.175 50 20 HAGD CC(=O)N[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1783175834 IPPRDDOTCPMTRE-HXPMCKFVSA-N 418.454 -1.347 50 20 HAGD O=C(Cc1cncnc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1785391110 VCFUSNFYFKEKEE-WDSOQIARSA-N 424.266 -1.008 50 20 HAGD C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795737736 ODYLARPMHPZGOO-SCNOPHJPSA-N 400.240 -1.392 50 20 HAGD O=C(CS(=O)(=O)N1CCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1796436712 WBHMXLNWUINYSV-QVHKTLOISA-N 423.919 -1.399 50 20 HAGD CN1CCN(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)CC1 1797837091 PFLLCAMZHVFAQK-REPLKXPHSA-N 414.315 -1.134 50 20 HAGD Cc1nnc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)o1 1830722631 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CN(C)S(=O)(=O)c1ccccc1NNC(=O)Cn1cc(S(N)(=O)=O)cn1 795181757 OMFVXIVHLRVVAC-UHFFFAOYSA-N 402.458 -1.076 50 20 HAGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)c1cccc(B(O)O)c1 1786983748 YXESWQOMVWENJU-HNKHHVNMSA-N 410.663 -1.441 50 20 HAGD N=C(N)SCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1795585160 HYFIOJBJFNSVLS-YWVIFJGQSA-N 420.300 -1.414 50 20 HAGD O=C(COc1cccnn1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840408118 HPGSVCLKRJTABI-GUYCJALGSA-N 414.846 -1.089 50 20 HAGD O=C(CCBr)N1CCO[C@@]2(CCN(C(=O)CN(CCO)CCO)C2)C1 1783257037 LSHIVINORFBYRY-MRXNPFEDSA-N 422.320 -1.112 50 20 HAGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(O)[nH]3)C[C@@H]21)c1ccc(B(O)O)cc1 1786981098 ROAQZKBBTFZJEJ-NOLJZWGESA-N 414.227 -1.298 50 20 HAGD CC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1834867607 LAHYYHBYLGEGOI-FQEVSTJZSA-N 418.255 -1.194 50 20 HAGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 778437936 HMOZCZNFLQHYOR-QWRGUYRKSA-N 418.472 -1.306 50 20 HAGD 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HAGD CN(C)S(=O)(=O)c1cccc(C(=O)NN=Cc2c(N)n(C)c(=O)n(C)c2=O)c1 749812766 SFWCOLYRMCVPFZ-UHFFFAOYSA-N 408.440 -1.320 50 20 HAGD Cc1nn[nH]c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1787183194 POOMQQUUBIXICR-BPUTZDHNSA-N 413.243 -1.300 50 20 HAGD C[Si](C)(C)OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(CCO)CCO 1800580810 PGZZAUQLBLRUGX-JLVBRIDZSA-N 417.579 -1.286 50 20 HAGD O=C(CN1C(=O)C=CC1=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830737190 DLCCJISQXAJZNS-SJCJKPOMSA-N 415.830 -2.033 50 20 HAGD Cn1c(=O)c2cc(C(=O)NNC(=O)CNC(=O)c3ccco3)cnc2n(C)c1=O 751201932 NGTQFIWLRNRWDR-UHFFFAOYSA-N 400.351 -1.584 50 20 HAGD COC(=O)c1cccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1C 764226280 HKFAISKNFHJLGQ-VIFPVBQESA-N 400.413 -1.195 50 20 HAGD C[C@H](O)c1cn(CC(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)nn1 777117248 KVYJKDPGWOWOFE-IINYFYTJSA-N 405.367 -1.138 50 20 HAGD Cn1cnc2c1c(=O)n(CC(=O)NNC(=O)CNC(=O)OC(C)(C)C)c(=O)n2C 778438805 ZYQUJLWUMYQDAT-UHFFFAOYSA-N 409.403 -1.894 50 20 HAGD CN1CCN(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)CC1 1795443672 JQXYVCPGRXMNRX-JYYAWHABSA-N 402.923 -1.187 50 20 HAGD CS(=O)(=O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795737563 VUVXPOOEKJNHLK-YWVIFJGQSA-N 410.257 -2.386 50 20 HAGD CC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830719504 FKGBIIQPCLZGFN-ZQIUZPCESA-N 405.879 -1.043 50 20 HAGD COC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835934366 XVHKGOUYSWAGBJ-QRWLVFNGSA-N 420.271 -1.281 50 20 HAGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3ccon3)C2)C1 1835935642 WYALFHZRHGXETM-LJQANCHMSA-N 415.211 -1.262 50 20 HAGD COC[C@@H](NC(C)=O)C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1844384294 FFALDDRWURQMKX-MRXNPFEDSA-N 403.244 -1.666 50 20 HAGD CCC1CCC2(CC1)NC(=O)N(CC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)C2=O 729276691 KTOJQQQIQBYSPJ-SGWRBKMISA-N 417.488 -1.038 50 20 HAGD CCC(=O)NNC(=O)[C@@H](C)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 1319375291 SCEKATUZUXPJSV-NEPJUHHUSA-N 410.518 -1.933 50 20 HAGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)COCCO)C[C@@H]21)c1ccc(B(O)O)cc1 1786981929 PXAKMBRKFDXFOA-XIRDDKMYSA-N 406.244 -2.031 50 20 HAGD CN(C)C(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1830038023 AADUEELXPQNYQY-WBMJQRKESA-N 406.867 -1.686 50 20 HAGD O=C(c1cc(O)nc(O)n1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830728949 ZHYJDIUJXREMQH-BDJLRTHQSA-N 416.818 -1.443 50 20 HAGD N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1834761158 RPACTINDZHZTMA-SFHVURJKSA-N 402.411 -1.331 50 20 HAGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCOC3)C2)C1 1835934580 ZRHKILAEXOYMOA-OXQOHEQNSA-N 418.255 -1.527 50 20 HAGD COCCN1C(=O)/C(=C/NNC(=O)CNC(=O)c2cccs2)C(=O)NC1=S 725903817 APEPRPXOTGCHFV-VQHVLOKHSA-N 411.465 -1.128 50 20 HAGD O=C(CNC(=O)c1ccco1)NNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 728715216 QBYUMHRDRDYFHW-UHFFFAOYSA-N 406.443 -1.010 50 20 HAGD CCC(CC)NC(=O)C(=O)NNC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 740851251 WFMUZSPGZKMXOT-UHFFFAOYSA-N 407.431 -1.724 50 20 HAGD Cc1cccc(C(=O)NNC(=O)CN[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 744402999 YXIVKQDTOBTUDH-JKSUJKDBSA-N 410.496 -1.157 50 20 HAGD CNS(=O)(=O)CCC(=O)OCC(=O)NNC(=O)c1ccc(OC)c(OC)c1 783191692 ROZJSMORTNMWCO-UHFFFAOYSA-N 403.413 -1.053 50 20 HAGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 1779883147 IAWOOALOGAYDDG-FQEVSTJZSA-N 411.223 -1.243 50 20 HAGD C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795732710 CIJUDVBZFKSGKW-NYCLONFESA-N 400.240 -1.392 50 20 HAGD COC[C@@H](NC(C)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796191961 VFFKPAIARJLVJE-XMTFNYHQSA-N 417.271 -1.231 50 20 HAGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cncnc1)CCO2 1834308820 CMBOQZFTWYCRGN-LJQANCHMSA-N 420.470 -1.080 50 20 HAGD O=C(O)c1cnncc1C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1844458970 YHUZKFKOFIEGCR-UHFFFAOYSA-N 410.195 -1.015 50 20 HAGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)[C@@H]2CCCS2(=O)=O)C1 1845912438 WXKXMCKBCAKJEA-HNNXBMFYSA-N 406.269 -1.239 50 20 HAGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)n2[nH]cnc2n1 1795732104 CMGQAXXBXXWLLH-MIJXAVMKSA-N 424.845 -1.125 50 20 HAGD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)nn1C 1795732574 XEZPNMNVHHHNEY-JLVBRIDZSA-N 412.255 -1.075 50 20 HAGD N=C(N)SCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795734847 ZAOUFXVZWQFKSS-YWVIFJGQSA-N 420.300 -1.414 50 20 HAGD CC(=O)N(C)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795737185 BKSMOQBKMNGNCX-HGKCTWBKSA-N 417.271 -1.562 50 20 HAGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ncnn1C)CCO2 1833846776 VSYYXAPWKTYLCF-GOSISDBHSA-N 423.474 -1.742 50 20 HAGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cncnc3)C2)C1 1840183445 FHCCUBIEYOJIRY-LJQANCHMSA-N 420.470 -1.080 50 20 HAGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cccc(-c2nnnn2C)c1 742029618 ONVRZAFFOBRZBS-QMMMGPOBSA-N 403.446 -1.876 50 20 HAGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CN3C(=O)CNC3=O)cc2)CC1 1251589994 JTUCQEMTOJIGJT-UHFFFAOYSA-N 410.456 -1.382 50 20 HAGD O=C(Cn1ccncc1=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830735995 OVDMCGIFFJNCAG-SUMWQHHRSA-N 414.846 -1.701 50 20 HAGD C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1831402298 UABDGPGINOOHJN-UZLBHIALSA-N 424.498 -1.146 50 20 HAGD CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNC(=O)c3cnn[nH]3)c2)CC1 729456125 RRYUFGRHBBRMBL-UHFFFAOYSA-N 421.439 -1.268 50 20 HAGD CN(C)c1nc(O)cc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)n1 765426039 SUUAQWFZAMYAPN-UHFFFAOYSA-N 417.386 -2.544 50 20 HAGD COCc1cc(C(=O)OC)cc(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 793392324 IKDSSOMLABSNJR-VIFPVBQESA-N 423.469 -1.133 50 20 HAGD CN(C)C(=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779031474 SNZIZIFIALFCEF-SFHVURJKSA-N 404.427 -1.783 50 20 HAGD C[C@@H](NC=O)C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1781248298 VDXAFCDQPASKRS-KZULUSFZSA-N 404.427 -1.737 50 20 HAGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)CN(CCO)CCO)CCO2)C1 1783883369 SYAQQCQTGNWDBD-YOEHRIQHSA-N 407.895 -1.643 50 20 HAGD 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419.529 -1.043 50 20 HAGD NC(=O)[C@H]1CC(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)=NN1c1ccc(F)cc1 913126104 IVLVLUKLAVEPGF-TVQRCGJNSA-N 411.415 -1.172 50 20 HAGD C[C@H]1NC(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)=NN(c2ccccc2)C1=O 919887323 ZXVDASIFCDLEOO-GHMZBOCLSA-N 408.440 -1.158 50 20 HAGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(N)=O)C2)C1 1783147312 FDFDBMBMDCXTEL-GOSISDBHSA-N 404.427 -1.606 50 20 HAGD Cc1nnc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)o1 1795788470 ZMKPHNGNHDEAQP-ZSBFGKGUSA-N 414.227 -1.496 50 20 HAGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@H]1F)CCO2 1832116605 GWLOVKMABKZBHU-GJYPPUQNSA-N 406.219 -1.206 50 20 HAGD CCOC(=O)N[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837202214 QRGXLBNNQLFOCF-OZVIIMIRSA-N 423.850 -1.893 50 20 HAGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840182246 AKEKYFRNTJWYEW-GUYCJALGSA-N 420.894 -1.585 50 20 HAGD O=C(c1cc(=O)n2[nH]nnc2n1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013808 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CC(=O)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1790845955 RNYZBEXXIXWQMV-XIRDDKMYSA-N 403.244 -1.904 50 20 HAGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1ccnn1)CCO2 1836213941 KGQVUKQGBMKBQK-GOSISDBHSA-N 423.474 -1.893 50 20 HAGD COC(=O)CCOc1ccc(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1 728509951 SLQQZCNBTFYGRT-SNVBAGLBSA-N 423.469 -1.124 50 20 HAGD COC(=O)c1ccc(OC)cc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764229959 GNGIHLGMNBSVSM-MRVPVSSYSA-N 416.412 -1.495 50 20 HAGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CN2CCCCCCC2=O)n(C)c1=O 766638677 HYEFGYYGXRISSD-UHFFFAOYSA-N 419.442 -1.626 50 20 HAGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)CN1CCC(=O)NC1=O 766644865 XCFAYUXAXPIPJJ-UHFFFAOYSA-N 416.438 -1.466 50 20 HAGD COCCCS(=O)(=O)NCC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 770143982 CTGYWZMMLUTKMY-UHFFFAOYSA-N 407.470 -1.193 50 20 HAGD O=C(COCCO)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1780764362 VKHLVJMVDSKKRL-YLJYHZDGSA-N 420.271 -1.497 50 20 HAGD O=C1CN(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)C(=O)N1 1796188215 CCHZESAISFJXIR-QDMKHBRRSA-N 414.227 -1.830 50 20 HAGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cnc[nH]3)C2)C1 1835935631 WMHLSKITINOJCX-IBGZPJMESA-N 414.227 -1.527 50 20 HAGD O=C(c1c[nH]c(=O)cn1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1838633120 WYPQSXBSSQYUST-MLGOLLRUSA-N 400.819 -1.560 50 20 HAGD CSCC[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795740991 VQXGOQANUAEIGI-FSDCSDTHSA-N 422.312 -1.316 50 20 HAGD CC[S@](=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1797606375 LELPCWBJKGNMRY-DZPSACBASA-N 422.312 -1.272 50 20 HAGD CN(C)C(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1835430237 UBZSSXPHMJHTEW-IBGZPJMESA-N 419.243 -2.475 50 20 HAGD COc1ccccc1OCC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 15884578 BWAAMDAYIFRPMS-UHFFFAOYSA-N 416.394 -1.331 50 20 HAGD CS(=O)(=O)N1CCCN(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CC1 728944883 NKVNVWWRLBDNOH-UHFFFAOYSA-N 408.444 -1.016 50 20 HAGD O=C(COCCO)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1780763609 CQFVMKDIUAYCTR-YLJYHZDGSA-N 420.271 -1.497 50 20 HAGD CN(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1)C(=O)C(=O)O 1784093717 FFOZYWLZZQHEEV-YFKTTZPYSA-N 405.835 -1.891 50 20 HAGD C=CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837693264 MZHWFEKEPKUUQA-IIYDPXPESA-N 403.863 -1.267 50 20 HAGD O=C(COc1cccnn1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840408119 HPGSVCLKRJTABI-SUMWQHHRSA-N 414.846 -1.089 50 20 HAGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2ncn(C(C)(C)C)n2)n(C)c1=O 758016828 VXYBEJVFRRIYPH-UHFFFAOYSA-N 418.418 -1.367 50 20 HAGD C#CCNS(=O)(=O)N1CCN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1 761024220 LKQCUXLOLZAIHK-UHFFFAOYSA-N 424.439 -1.559 50 20 HAGD Cn1c(=O)c2c(ncn2CC(=O)NNS(=O)(=O)c2ccc(F)cc2)n(C)c1=O 765127140 UWPPUDKFANBSMF-UHFFFAOYSA-N 410.387 -1.418 50 20 HAGD COC(=O)c1scc(C)c1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 782116850 HMHMIZYZRZEKEW-SSDOTTSWSA-N 406.442 -1.133 50 20 HAGD CN(C)C(=O)CNC(=O)C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 782701450 FMZSCOGSSXQSQY-UHFFFAOYSA-N 404.471 -1.450 50 20 HAGD C[C@H](C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)n1cncn1 1784476927 YBCJFDRYVRGNDW-AUUYWEPGSA-N 413.243 -1.337 50 20 HAGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cncc(O)c1 1800808949 PVRJLCYILGXHMQ-JLVBRIDZSA-N 411.223 -1.016 50 20 HAGD N=C(N)NCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1835575726 UKQHLGQDNGJIJA-GXFFZTMASA-N 410.244 -1.384 50 20 HAGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1 1840153204 HJLKVVULSIXTPC-ZBEGNZNMSA-N 402.835 -1.428 50 20 HAGD O=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)C1 1840832109 DCICALLRKYEIKE-HXUWFJFHSA-N 416.239 -1.585 50 20 HAGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O 729277016 RITXOCKSQKQVAT-FTGAXOIBSA-N 403.461 -1.428 50 20 HAGD CC(=O)N1CSC[C@@H]1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 766636532 OHZXOWRPLGQQLZ-SECBINFHSA-N 409.428 -2.498 50 20 HAGD Cn1c(=O)ccn(CC(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1=O 915237054 NXJYPQZXSBBPMM-ZDUSSCGKSA-N 418.362 -1.922 50 20 HAGD C=CC(=O)N[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1779285418 QSGACVVWEQLXPQ-IFXJQAMLSA-N 409.487 -1.120 50 20 HAGD CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1788468676 BSBUCSNUMJMQIM-BYNIDDHOSA-N 407.851 -1.370 50 20 HAGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)CN)CC2)CC1 1835068265 RELFMRXXKPPNOT-INIZCTEOSA-N 411.551 -1.783 50 20 HAGD O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840041818 JNVCNHUSXJLYHS-LJQANCHMSA-N 416.195 -2.476 50 20 HAGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccnn2CC(F)F)n(C)c1=O 789984095 OFHXPQZMGAOFLL-UHFFFAOYSA-N 410.341 -1.644 50 20 HAGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)CN1CCOCC1)CCO2 1783934109 YFCAHTKPZMBJTK-IBGZPJMESA-N 411.503 -1.479 50 20 HAGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(CCO)CCO)C[C@@H]21)[C@@H](O)CCl 1784094538 PBBGOVDZLWSJCO-AJNGGQMLSA-N 407.895 -2.148 50 20 HAGD 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CCOc1ccccc1OCC(=O)NNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O 763680840 HWCWBTYZRNUWHV-JTQLQIEISA-N 402.429 -1.595 50 20 HAGD C[C@@H](Oc1cccnc1)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765732622 QAOHMDFHTJGJJZ-SNVBAGLBSA-N 401.383 -1.556 50 20 HAGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1)CCO2 1779030583 CXFPGDZMVYZKAA-LIRRHRJNSA-N 416.438 -1.593 50 20 HAGD O=C1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)CN1 1829945526 ZOXHRIWNWIDGFC-GDZNZVCISA-N 403.863 -1.431 50 20 HAGD C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1831402295 UABDGPGINOOHJN-JXFKEZNVSA-N 424.498 -1.146 50 20 HAGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1 1835936837 FXRLECZVCUQJDG-VPWXQRGCSA-N 418.255 -1.793 50 20 HAGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(OCC(=O)O)c(F)c1 728509927 BYLVRLJZSMVKHA-SSDOTTSWSA-N 413.405 -1.464 50 20 HAGD Cc1ccccc1NC(=O)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 764379262 ULIDVLHNEOEYQO-UHFFFAOYSA-N 413.394 -1.472 50 20 HAGD 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CCOc1cccc(CC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)n1 797939923 MBQZYKFTXWRGPB-UHFFFAOYSA-N 415.410 -1.383 50 20 HAGD O=C(c1cccc(B(O)O)c1)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3C[C@@H](O)C3)[C@H]2C1 1788118773 IPHWTTRIGXMSTJ-ABJHKEKUSA-N 402.256 -1.269 50 20 HAGD CN1CCC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)C1 1795734966 BYEKMIRCIXHJET-VXIBKDFQSA-N 415.299 -1.089 50 20 HAGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)[C@H]1SC(=N)NC1=O 1796422852 LWXLFOKHUARWNC-IXAFYFBPSA-N 418.903 -1.022 50 20 HAGD CC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796443775 JDLKEHLPTKTSMD-KKBHZMJRSA-N 418.454 -1.154 50 20 HAGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCn1ccnn1)C2 1801012175 LIGUEKHQXXQKKD-ZSBFGKGUSA-N 407.475 -1.369 50 20 HAGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)N(C)C)CCO2)C1 1830049039 VVVABMNYFYVDAT-SUMWQHHRSA-N 420.894 -1.032 50 20 HAGD CC(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835926540 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406.852 -1.597 50 20 HAGD O=C1CN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](F)Br)C3)C(=O)N1 1793834995 RJZYQFLBROECOV-IWXIMVSXSA-N 421.223 -1.182 50 20 HAGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)no1)C2)c1cccc(B(O)O)c1 1795740357 XAKQUKSPUIRYFF-DRXBFXEBSA-N 401.184 -1.423 50 20 HAGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)ccc1OC 729274773 CLPMKBKBNWIXJG-QMMMGPOBSA-N 408.458 -1.698 50 20 HAGD CC(C)C(=O)N1CCC[C@H]1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 766638113 XZCWELXOHPOOGJ-NSHDSACASA-N 419.442 -1.772 50 20 HAGD C[C@@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)CN(CCO)CCO)C2)C1 1783262503 VLQZLTNMCUBPDV-CJNGLKHVSA-N 422.320 -1.114 50 20 HAGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CNC1=O)C2 1801010530 CHGFVPCPHZFOFQ-DPIQGUFMSA-N 424.458 -2.499 50 20 HAGD O=C(CCn1ccnn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830738696 SBHANXAPVMNYGF-XJKSGUPXSA-N 401.851 -1.276 50 20 HAGD O=C(Cn1cnnn1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1836148973 SNILZPBWTBHHAZ-WCQYABFASA-N 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50 20 HAGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CSC[C@@H]2CCCCO2)n(C)c1=O 765725451 SGARWIHLYTVFMS-NSHDSACASA-N 424.483 -1.117 50 20 HAGD CCN(C)[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795741238 NUXDRLREQNDQRJ-SCNOPHJPSA-N 403.288 -1.090 50 20 HAGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCOC1 1801513878 XGMKQRJOQNRDJY-JFILPPLUSA-N 403.439 -1.075 50 20 HAGD C[C@@H](CS(C)(=O)=O)C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1841617395 SILIOYFHYGLOCD-ZDUSSCGKSA-N 408.285 -1.136 50 20 HAGD Cc1csc(CC(=O)NNC(=O)COC(=O)C2CCN(S(N)(=O)=O)CC2)n1 728723885 WLBQIVGDWIQWJS-UHFFFAOYSA-N 419.485 -1.400 50 20 HAGD COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C(=O)NNC(=O)CN(C)C 764203676 BBICCWBKQKIHIL-UHFFFAOYSA-N 413.456 -1.217 50 20 HAGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)CNC(N)=O)CC2)cc1 765726462 CDNNMXQUUBNGJE-UHFFFAOYSA-N 412.472 -1.883 50 20 HAGD CC(=O)N1CC(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 788423043 CWRAMJGVBHMJNV-UHFFFAOYSA-N 410.452 -1.053 50 20 HAGD CC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795736778 KBVAHVQYUCGJDA-FIUQPQMISA-N 403.244 -1.906 50 20 HAGD CC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795741327 VKSJUMURWFMAFU-FIUQPQMISA-N 403.244 -1.906 50 20 HAGD O=C(CNCP(=O)(O)O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1835539101 ZTUYPSQJFHMYGX-WCQYABFASA-N 417.758 -1.298 50 20 HAGD N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835929281 JATSLUMZQMWFBY-IBGZPJMESA-N 401.228 -1.260 50 20 HAGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CC(=O)C1)CCO2 1840835113 YFCPNQDLQJCMDC-IBGZPJMESA-N 410.471 -1.205 50 20 HAGD CCNC(=O)N[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014317 XEVOFXXAQFBPBY-ZDUSSCGKSA-N 402.260 -1.109 50 20 HAGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)CCc1nc(N)n[nH]1)C2 1844264508 ZXTYLAGXTRWYAB-UHFFFAOYSA-N 413.442 -1.165 50 20 HAGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2nnc3ccccc3n2)n(C)c1=O 810593358 YTVIVNVWWLLNGN-UHFFFAOYSA-N 409.366 -1.767 50 20 HAGD 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