smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1ccc(CN2C[C@@H](C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)CC2=O)cc1 726499721 ILAGXFAPDZCKCI-KBPBESRZSA-N 409.464 -0.374 50 20 HBGD CN(C)S(=O)(=O)N1CCN(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)CC1 733348132 HYQZQWFNENDMDP-UHFFFAOYSA-N 421.483 -0.349 50 20 HBGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1cc2c(c(C(=O)O)c1)OCCO2 740812575 PHAFMSYWBZCOOJ-UHFFFAOYSA-N 415.424 -0.230 50 20 HBGD CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)Cc2cc[nH]n2)cc1 755289066 LEVHWSRWRCLREE-UHFFFAOYSA-N 409.424 -0.745 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1 764231127 MRLUNEZWSPGOKC-ZETCQYMHSA-N 412.346 -0.391 50 20 HBGD Cc1nc(S(=O)(=O)N2CCN(C(=O)NNC(=O)Cc3cccnc3)CC2)cn1C 765753412 XSDYFXWSCIEZDJ-UHFFFAOYSA-N 421.483 -0.587 50 20 HBGD COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NNc2nnc(C)c(O)n2)C1=O 771545583 WNPUJDMNSMYTGE-QGZVFWFLSA-N 401.383 -0.195 50 20 HBGD CN(CCNC(=O)NNC(=O)C(=O)N1CCCC1)S(=O)(=O)c1cccs1 772623585 GVXUXUZXXMAIKC-UHFFFAOYSA-N 403.486 -0.679 50 20 HBGD Cn1nccc1[C@@H]1CCCC(=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1 790294605 VCLHLWHQBYCYHV-GFCCVEGCSA-N 412.454 -0.003 50 20 HBGD CSCCONC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 793433617 NMDHPGYJBOPCBV-UHFFFAOYSA-N 404.518 -0.062 50 20 HBGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNC(=O)NCC(F)(F)F)[C@H](C)O)cc1 798314119 YADXJBQYVKXVPX-GXSJLCMTSA-N 412.390 -0.085 50 20 HBGD O=C(N=c1cc[nH]cc1)NNC(=O)c1ccccc1S(=O)(=O)N1CCOCC1 802024854 XDEHVCDCZBELBL-UHFFFAOYSA-N 405.436 -0.009 50 20 HBGD C[C@@H](C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(F)c(F)c1 1319764197 YZZQTYAQERDTKI-SECBINFHSA-N 420.376 -0.337 50 20 HBGD CCC1(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)COC1 1782948304 SVWCZSCDXZLDAS-HXUWFJFHSA-N 402.256 -0.764 50 20 HBGD C[Si](C)(C)OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@H]2C1 1786891138 JPBWYOXOUSASOA-XQLPTFJDSA-N 414.579 -0.590 50 20 HBGD CCS(=O)(=O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](Cl)COC)[C@H]2C1 1791249614 NDYAKZNQYGLGET-FQUUOJAGSA-N 410.920 -0.345 50 20 HBGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)C=CC3=O)C[C@@H]21 1791258022 WHNNFWUQJVNNMF-XUXIUFHCSA-N 413.858 -0.855 50 20 HBGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)n3cnnn3)[C@H]2C1 1791691661 ZFNACSGASMBDOL-PPCPHDFISA-N 415.292 -0.003 50 20 HBGD CC(=O)N(C)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1793993018 VNKDMTMYKLDJGJ-QDMKHBRRSA-N 416.482 -0.195 50 20 HBGD O=C(CCc1ccc[nH]1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1795785124 UGCMTSAVTXCWPN-CWPLJXCYSA-N 411.267 -0.470 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1ccc2nncn2c1 1796189111 WZMUQVWUHDZVPK-BCDXTJNWSA-N 419.250 -0.025 50 20 HBGD CC[S@@](=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796191426 KEFGMYHBUDSPBL-MOOZGVFRSA-N 406.313 -0.223 50 20 HBGD COC[C@H](NC(C)=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](O)CCl)CC2 1820184161 NICSOEAWNAKYKR-USWWRNFRSA-N 418.903 -0.194 50 20 HBGD CN[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2)C(=O)O 1830358465 BZODWJHBHRTUFC-UGSOOPFHSA-N 419.906 -0.230 50 20 HBGD O=C([C@H](O)CCl)N1CCO[C@]2(COCCN(C(=O)C(F)(F)C(F)F)C2)C1 1830726026 NIQCRXYMMCUVLI-NOZJJQNGSA-N 406.760 -0.057 50 20 HBGD Cc1n[nH]c(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837801228 JULKRNZKSGNFNJ-CXAGYDPISA-N 400.863 -0.304 50 20 HBGD O=C([C@H](O)CCl)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839198452 DTJKPVNOLQTRKF-GBIKHYSHSA-N 417.659 -0.267 50 20 HBGD O=C(Cn1ccnn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839199580 QJKFEVSKHRGPSV-TZMCWYRMSA-N 420.239 -0.575 50 20 HBGD O=C([C@@H]1CCc2nc(O)nc(O)c2C1)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841350191 MWTDWYIBHSIAAF-MFKMUULPSA-N 410.858 -0.204 50 20 HBGD CN(C)N(C(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)[C@@H]1CCS(=O)(=O)C1 731963607 OZDRREVBSNOYFK-CVEARBPZSA-N 416.544 -0.808 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNS(=O)(=O)N2CCCCC2)cc1 742024975 FNQHXHAKQDMLKD-UHFFFAOYSA-N 404.514 -0.033 50 20 HBGD COCCO[C@H](C)C(=O)NNC(=O)NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1 748626233 CHNRYBWHCNUPRZ-ZMZPIMSZSA-N 407.427 -0.377 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@@H]2CC(=O)N(C3CC3)C2)c1 750655216 KLRPWQUJCQLFGF-GFCCVEGCSA-N 409.468 -0.356 50 20 HBGD CC(=NNC(=O)[C@H](C)NS(C)(=O)=O)c1c(C)nn(CCS(C)(=O)=O)c1C 763172488 NLHUNELATXWLGN-NSHDSACASA-N 407.518 -0.678 50 20 HBGD NC(=O)c1ccc(F)c(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 763575028 PBFUYXVJIDSJNX-CQSZACIVSA-N 402.338 -0.150 50 20 HBGD CC(C)COc1cccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 764227976 SUIYHUWGYSDSTL-LLVKDONJSA-N 400.457 -0.255 50 20 HBGD COc1ccccc1-c1cc(C(=O)NNC(=O)CCC(=O)NCCNC(C)=O)n[nH]1 768281900 SBJXZGMEDPNZOV-UHFFFAOYSA-N 416.438 -0.121 50 20 HBGD CN(C)C(=O)Cn1cc(C(=O)NNC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1 773410380 BILQUWQZUDWLDK-GFCCVEGCSA-N 423.474 -0.226 50 20 HBGD CN(C)c1cnc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cn1 779675499 FRXXTZYLXLGWEZ-UHFFFAOYSA-N 411.466 -0.238 50 20 HBGD Cc1csc(CC(=O)NNC(=O)CN2CCN(c3c(C#N)c(C)nn3C)CC2)n1 788276425 RUOYIFSAFRPNEQ-UHFFFAOYSA-N 416.511 -0.123 50 20 HBGD COCCONC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 789335509 GNYOKIGJGGSRTA-UHFFFAOYSA-N 402.429 -0.771 50 20 HBGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc3c(c2)OCC(=O)N3C)n1 799259275 XEXQEDYOLINPQU-UHFFFAOYSA-N 400.395 -0.359 50 20 HBGD O=C(CC1CC1)NNC(=O)C(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 806977617 RFWQODFWBDQMBU-KBPBESRZSA-N 400.435 -0.031 50 20 HBGD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NNC(=O)[C@H]1CCc2nncn2C1 816881646 LVERTFSESBGGAV-QWRGUYRKSA-N 405.419 -0.171 50 20 HBGD Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)C2=O 919888236 AZZKRDFOSYRNSZ-WDEREUQCSA-N 408.436 -0.503 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2nc(-c3ccccc3)c[nH]2)n(C)c1=O 1322629634 WLZRVJLZLOSJQW-UHFFFAOYSA-N 406.406 -0.026 50 20 HBGD Cn1ccnc(NNC(=O)Cn2cnc3c(c(Br)nn3C)c2=O)c1=O 1339890604 KGUQVTBBWKBHRF-UHFFFAOYSA-N 409.204 -0.871 50 20 HBGD CC(C)O[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1779167450 BKINLXJBGHZWGW-JLTOFOAXSA-N 419.482 -0.058 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1783933939 OJVBYOAHWPNMDE-IBGZPJMESA-N 421.454 -0.691 50 20 HBGD CC[C@H](C)[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1784543922 IHKYXGIBGTXKEJ-LEYVVWKUSA-N 418.299 -0.633 50 20 HBGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1791251710 QUHFTHANODRMKT-HJWJTTGWSA-N 424.690 -0.787 50 20 HBGD CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1795336110 QGXIMOCQBJJLSH-IZZQQSIFSA-N 403.483 -0.058 50 20 HBGD O=C(CN(CCO)CCO)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Br 1800161367 GIFBBTZVDFBEFM-OPDFLTKYSA-N 410.284 -0.398 50 20 HBGD O=C1CN(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H](O)CCl)[nH]n2)C(=O)N1 1815664304 RJZHHVXMQJAKEL-QWRGUYRKSA-N 412.834 -0.447 50 20 HBGD CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1 1830732916 CJJYPQJNPJLTJS-KEYYUXOJSA-N 405.879 -0.157 50 20 HBGD Cn1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1=O 1831881464 RCJGNFHTOPWMDN-KDOFPFPSSA-N 413.858 -0.945 50 20 HBGD CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)CC1 1835929582 XHYVSHLIBKHYMP-FQEVSTJZSA-N 402.256 -0.764 50 20 HBGD O=C([C@@H](F)Br)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C=CCN1)CCO2 1836479923 QKVDANZKZODUEO-ZOWXZIJZSA-N 406.252 -0.339 50 20 HBGD CC[S@](=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837234620 JBWZPJMWARCGIS-GMAKHKIPSA-N 410.920 -0.799 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)COCCO)CCO2)C1 1839194479 MIXYMAKWCIVRAU-CVEARBPZSA-N 413.298 -0.312 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1ccnn1)CCO2 1839711394 SWJMIGYENCIZLO-KEYYUXOJSA-N 415.878 -0.451 50 20 HBGD CCC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840851916 WOPGZAMHXLTDCW-MPGHIAIKSA-N 419.906 -0.653 50 20 HBGD C[C@@H](C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2)n1ccccc1=O 1844366029 WVHVIBYBMYNJEP-AWEZNQCLSA-N 424.461 -0.075 50 20 HBGD Cc1ccc(C)c(N2N=C(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)CCC2=O)c1 729277153 SRBWJTAXKQMNJQ-GFCCVEGCSA-N 409.468 -0.129 50 20 HBGD CN(C)c1cccc(C(=O)NNC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)c1 746387503 KUEIAPHNHOKDIV-INIZCTEOSA-N 403.483 -0.306 50 20 HBGD Cc1nnc2n1C[C@@H](C(=O)OCC(=O)NNC(=O)[C@H]1COc3ccccc3O1)CC2 750671413 CAADRHXGFZOYEL-SWLSCSKDSA-N 415.406 -0.320 50 20 HBGD Cn1nc(C(=O)NNC(=O)NC[C@H]2CCCN2S(C)(=O)=O)c2ccccc2c1=O 753688058 CNWBRTHKNUJIPJ-LLVKDONJSA-N 422.467 -0.699 50 20 HBGD Cc1noc(C)c1[C@H](C)CC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 754081093 YXRGNPOIVKEJSG-SECBINFHSA-N 417.426 -0.620 50 20 HBGD NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c(F)c1 763573276 RSMHIFADBFQUJR-AWEZNQCLSA-N 402.338 -0.150 50 20 HBGD C=CCOc1ccccc1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 766643885 LTVNFOFXOQQYKY-UHFFFAOYSA-N 412.406 -0.540 50 20 HBGD CN(CC(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)[C@H]1CCSC1 772046024 FSNTXGMSOHZMSZ-WFASDCNBSA-N 409.464 -0.046 50 20 HBGD CCCn1nc(C(=O)NNC(=O)[C@@H](NC(=O)C2CC2)[C@@H](C)O)c2ccccc2c1=O 779473008 DVYXFTIHKPXJMR-ABAIWWIYSA-N 415.450 -0.157 50 20 HBGD Cc1nc2cccc(C(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)c2[nH]1 801926994 FEPVSNBOFNQTIU-UHFFFAOYSA-N 410.394 -0.920 50 20 HBGD C[C@@H]1CN(CCC(=O)NNC(=O)CNS(=O)(=O)c2cccs2)C[C@@H](C)O1 809981866 ZFVMGWJERNYVPO-VXGBXAGGSA-N 404.514 -0.327 50 20 HBGD NC(=O)[C@H]1CC(C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)=NN1c1ccc(F)cc1 816885201 TUTJZZVEEGVMBD-QMTHXVAHSA-N 414.401 -0.753 50 20 HBGD Cn1nc(C(=O)NNC(=O)NCCS(=O)(=O)NC(C)(C)C)c2ccccc2c1=O 916622426 QGBLRLUXNQSFSK-UHFFFAOYSA-N 424.483 -0.405 50 20 HBGD O=C(CN1CCN(Cc2ccccc2Cl)CC1)NNC(=O)CN1C(=O)CCC1=O 1123736359 WNACYCYKAHSDKF-UHFFFAOYSA-N 421.885 -0.246 50 20 HBGD CS(=O)(=O)CCN1CCC(NC(=O)NNC(=O)Cc2cn3ccccc3n2)CC1 1318898684 YXMVQTSJOHRSOP-UHFFFAOYSA-N 422.511 -0.284 50 20 HBGD O=C(NNC(=O)c1cncc(I)c1)N[C@@H]1CCS(=O)(=O)C1 1319607877 OLBZOEDGVVSKCS-SECBINFHSA-N 424.220 -0.183 50 20 HBGD CN(C)S(=O)(=O)c1ccc(F)c(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 1337046260 BFYTUSGLIXYDSE-VIFPVBQESA-N 407.445 -0.728 50 20 HBGD O=C(c1c[nH]c(=O)cn1)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781334176 MUCJEFWAAXKEBG-BXUZGUMPSA-N 403.208 -0.096 50 20 HBGD COC(=O)CSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1784511046 LMOMRPGKBLPATF-RVMXOQNASA-N 408.904 -0.528 50 20 HBGD Cc1n[nH]cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1789313755 VCTKHOOIYWKZMU-WBAXXEDZSA-N 412.255 -0.695 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(O)n3)C[C@@H]21 1791288724 QCASHBVYWSYCAX-DZKIICNBSA-N 419.482 -0.247 50 20 HBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl)C(=O)c1ccccc1 1792975032 IDDLPZLFPOMWJL-KYHPRHEASA-N 423.897 -0.052 50 20 HBGD CO/C=C(\C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1797619946 IRVOCVKTQFUVNB-XMQLCBBWSA-N 403.439 -0.562 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCn1cncn1)C2)[C@H](F)Br 1799352439 XAOHGRBHICPBDO-LFSVMHDDSA-N 404.240 -0.052 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)ccc1O)C2 1801012458 GWVKHFYPZCMEHZ-DBWKPXFBSA-N 420.466 -0.326 50 20 HBGD CCNC(=S)NCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCC(=O)NN(C)C 1802338600 SACHDLZXQLXVRV-BTTYYORXSA-N 412.560 -0.518 50 20 HBGD CN1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)C1 1817475766 UBCCZNSKJFYYBR-KRWDZBQOSA-N 411.271 -0.043 50 20 HBGD O=C(c1cn2cccnc2n1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830730995 GUBVCRPXYAGZKV-KSSFIOAISA-N 423.857 -0.601 50 20 HBGD O=C1NC(=O)[C@@H](CC(=O)N2CCC(N3CCC(NC(=O)[C@@H](F)Cl)CC3)CC2)N1 1835078555 LYPRIDFLPTYNLH-TZMCWYRMSA-N 417.869 -0.310 50 20 HBGD CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)CC1 1837456593 KZEUJAHLMGXTQT-HXUWFJFHSA-N 417.466 -0.445 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C(=O)OC)CC3)C2)C1 1840156727 YHSCDIZHMPQYAT-DYVFJYSZSA-N 418.874 -0.350 50 20 HBGD C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1840842550 NXSLZMKQCZKXIF-HXUWFJFHSA-N 415.450 -0.832 50 20 HBGD CC[C@H](Br)C(=O)N1CC2(CCCN2C(=O)CN(C)C(=O)C(=O)O)C1 1845810529 DMUOOSZDRRMZLN-JTQLQIEISA-N 404.261 -0.094 50 20 HBGD Cc1cccc(OCC(=O)NNC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 104670616 RHQVUCIWYLETCR-CYBMUJFWSA-N 422.463 -0.313 50 20 HBGD Cc1c(/C=C(/C#N)C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc(C#N)n1C 749570829 BJWURTDGRCPZIT-SXGWCWSVSA-N 422.445 -0.068 50 20 HBGD CCc1ccc(O)c(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 768290549 JRIOXYNXEQZTLS-UHFFFAOYSA-N 400.395 -0.837 50 20 HBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)CN1C(=O)c2ccccc2S1(=O)=O 771900275 HSOBZYIJGKENIZ-NSHDSACASA-N 411.436 -0.044 50 20 HBGD CCn1nc(C(=O)NNC(=O)[C@H](NC(=O)C2CC2)[C@@H](C)O)c2ccccc2c1=O 779490900 GQVQYTMGBHGWNU-QMTHXVAHSA-N 401.423 -0.547 50 20 HBGD COC(=O)CNC(=O)NNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 779844896 LQPBADBYVORHNY-UHFFFAOYSA-N 420.469 -0.863 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@H]3CO[C@@H](C)C3)CC2)cc1 784157935 UXQHPHUTFDUFSI-JKSUJKDBSA-N 424.523 -0.126 50 20 HBGD O=C1CN(c2ccnc(C(=O)NNC(=O)c3nnc(O)c4ccccc34)c2)CCN1 786687725 GHAQVMMLJMXGKQ-UHFFFAOYSA-N 407.390 -0.259 50 20 HBGD COC(=O)Cn1ncc(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)c1C 796990925 XEZTVRJRIDRCCS-UHFFFAOYSA-N 414.378 -0.599 50 20 HBGD O=C(COC(=O)CN1CCS(=O)(=O)CC1)NNC(=O)c1cccc(Cl)c1 919135532 HCKCGNYYGAKCTD-UHFFFAOYSA-N 403.844 -0.625 50 20 HBGD O=C(CSCC(=O)N1CCOCC1)NNC(=O)c1nnc(O)c2ccccc12 1317700961 YVKBQIHAPGJYPN-UHFFFAOYSA-N 405.436 -0.312 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCCCO1)CCO2 1779029842 ZNJQARBZYFKPLA-OXJNMPFZSA-N 417.466 -0.302 50 20 HBGD Cc1cc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)n[nH]1 1779157813 GEKKYPGHEARTOA-HXUWFJFHSA-N 412.255 -0.916 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cccnc1 1795864006 LPBXBFTVHBSOSW-CWPLJXCYSA-N 403.483 -0.413 50 20 HBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](O)CCl)C2 1798472970 FBNNHWGAMPOKEO-AIEDFZFUSA-N 404.847 -0.281 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H](O)CC1 1801130940 ARCMZOOHGCZIFW-JJHFGIKNSA-N 410.515 -0.500 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(Cl)Cl)c1cc(=O)n2[nH]nnc2n1 1802340565 JMPKRPXWPNBMLU-RNLVFQAGSA-N 400.226 -0.132 50 20 HBGD CN[C@H](CC(=O)N1CC[C@H](CNC(=O)[C@@H](O)CCl)[C@H]1c1cccnc1)C(=O)O 1803138637 MCJYIUMBSORXSW-HGTKMLMNSA-N 412.874 -0.250 50 20 HBGD O=C(/C=C/c1cnccn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830739063 XGDWOFGOHUQXEV-JUDDRIGUSA-N 410.858 -0.454 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1 1839147920 HEVVLHLLBJXYNS-PXAZEXFGSA-N 419.862 -0.997 50 20 HBGD CC(=O)NCC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010371 IVZDFODUYGGCKC-UHFFFAOYSA-N 401.272 -0.654 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNS(=O)(=O)c2c[nH]nc2C)cc1 732045066 APMQVMFJKPTCBD-UHFFFAOYSA-N 401.470 -0.343 50 20 HBGD O=C(CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)c1cc(Br)c[nH]1 742489359 QWIDQENCWIPYPC-IQIPOGNMSA-N 411.212 -0.299 50 20 HBGD CS(=O)(=O)NCc1ccc(C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)o1 753579892 MWERSWZECJIAIU-UHFFFAOYSA-N 415.449 -0.193 50 20 HBGD CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)NNC(=O)Cn2nc(C)cc2C)cn1 763893745 YIMNLXLERFYGSO-UHFFFAOYSA-N 419.442 -0.219 50 20 HBGD C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NNC(=O)CO)cc2)C1 764422118 VJXIATHPTIXBRI-RYUDHWBXSA-N 412.468 -0.569 50 20 HBGD Cc1ccc(CN2CCN(CC(=O)NN=Cc3cn(C)c(=O)n(C)c3=O)CC2)cc1 764829849 HZOFSMLGAONRGJ-UHFFFAOYSA-N 412.494 -0.340 50 20 HBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccccc1C#N 771975490 MOMQYJGNHDUNSL-LBPRGKRZSA-N 410.452 -0.038 50 20 HBGD C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NNc1ccc(-n2ccnc2)nn1 804954139 KWLODWOUPHNUJX-QGZVFWFLSA-N 414.426 -0.279 50 20 HBGD CC(=O)Nc1cncc(C(=O)NNC(=O)CNS(=O)(=O)c2cccc(F)c2)c1 810662763 PTQKVKBZBTZXSZ-UHFFFAOYSA-N 409.399 -0.081 50 20 HBGD O=C(Cn1cnc([N+](=O)[O-])n1)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 918549186 GKFXPCLVNPGVTM-UHFFFAOYSA-N 423.411 -0.568 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCC=CO1)CCO2 1779032288 MQFCGTLYIXVZOL-OXQOHEQNSA-N 415.450 -0.179 50 20 HBGD Cc1nc(C)c(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)o1 1779586385 IAPAYFAGYMLXGP-HXUWFJFHSA-N 413.239 -0.271 50 20 HBGD O=C(c1c(O)cc(O)cc1O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1781809544 QKMOIGZTRMMWCJ-CXAGYDPISA-N 400.815 -0.153 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCOC1)C2 1782214390 PLVLWVKNBOHEHN-RZQQEMMASA-N 410.515 -0.090 50 20 HBGD O=C1CN(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C(Cl)Cl)C2)C(=O)N1 1782214481 IDCNTKPFZYFSJW-QLJPJBMISA-N 421.281 -0.144 50 20 HBGD Cc1nnsc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1787632823 HFEKXMONIZMHEH-IHRRRGAJSA-N 424.527 -0.187 50 20 HBGD CN1C(=O)CC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1800192478 WFMVOTZNSGGMNE-ZWUHOBOKSA-N 414.466 -0.442 50 20 HBGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCS1(=O)=O)C2 1800761944 KDVHVDKOGDPZDW-YYHQMBLXSA-N 423.329 -0.063 50 20 HBGD N[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1)c1ccccn1 1830722487 CHHIQUHXHTZFHP-RVKKMQEKSA-N 412.874 -0.863 50 20 HBGD O=C(c1ccc2nonc2c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830728078 OPCJXFYYUYOKSQ-CRAIPNDOSA-N 424.841 -0.108 50 20 HBGD O=C1C[C@H](C(=O)N2CCC(OC3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)CN1 1836718762 CUAHMJJNXBCJIE-WFASDCNBSA-N 401.891 -0.279 50 20 HBGD COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)ccn1 1837973915 LMZXJUOBNAOUQV-KBXCAEBGSA-N 413.858 -0.240 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(C)=O)C2)C1 1840155406 AVNNRSXQHGKSRQ-YOEHRIQHSA-N 405.879 -0.777 50 20 HBGD C[C@H](Nc1cnccn1)C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1844278153 FDXBOWPREDBFRC-AWEZNQCLSA-N 409.255 -0.526 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)NCCCN1C(=O)NC2(CCCC2)C1=O 726085864 MLRCWWNCAFUNOZ-UHFFFAOYSA-N 420.426 -0.406 50 20 HBGD O=C(CN1CCC(=O)NC1=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 731865619 PRMDGAZTCYUMTE-UHFFFAOYSA-N 423.451 -0.826 50 20 HBGD COC(=O)NCCC(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 735117115 OEDUUSQMFPNCJP-UHFFFAOYSA-N 400.461 -0.793 50 20 HBGD O=C(COCc1ccccc1)NNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 737926318 FBAAFIVQPHMSOJ-CABCVRRESA-N 409.464 -0.614 50 20 HBGD COc1ccc(C(=O)NNC(=O)CN2CCC[C@@H](N3CCNC3=O)C2)cc1OC 744201284 ZEGWHHCTDISIAK-CQSZACIVSA-N 405.455 -0.046 50 20 HBGD Cc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)o1 752522986 NXLIDNYAVFQGPM-UHFFFAOYSA-N 406.420 -0.217 50 20 HBGD NS(=O)(=O)c1ccc(CNC(=S)NNC(=O)CNC(=O)c2cccnc2)cc1 763165001 PAEDNCBDQLYYJY-UHFFFAOYSA-N 422.492 -0.846 50 20 HBGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1 764433336 MLCAFKOVDDPFEO-HNNXBMFYSA-N 404.423 -0.140 50 20 HBGD CS(=O)(=O)N1CCN(CC(=O)NNC(=O)CSc2ccccc2O)CC1 765248352 QPDVXXAXZXHPNR-UHFFFAOYSA-N 402.498 -0.791 50 20 HBGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1cnc(Cl)c(Br)c1 768242130 OLPBAAGRVUBHSY-QMMMGPOBSA-N 407.608 -0.001 50 20 HBGD Cn1nc(-c2cc(F)cc(F)c2)cc1NC(=O)C(=O)NNC(=O)[C@H]1COCCO1 773555046 VRWPCSXSRXWYDF-CYBMUJFWSA-N 409.349 -0.133 50 20 HBGD CS(=O)(=O)N1CCC(CS(=O)(=O)NNC(=O)COc2ccccc2O)CC1 790017312 AHHGDCKZWPCLTQ-UHFFFAOYSA-N 421.497 -0.607 50 20 HBGD CC(C)(C)OC(=O)N[C@H](C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)C(F)(F)F 813421137 QZCVWUKOVWBPBB-HTQZYQBOSA-N 418.394 -0.041 50 20 HBGD CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)cc1OC 815778578 XZFOLZWLCCHNHB-GFCCVEGCSA-N 414.440 -0.278 50 20 HBGD C[C@]1(NNC(=O)NCCS(=O)(=O)NCc2ccccc2)CCS(=O)(=O)C1 916645183 IHMQGDSWTNOLEX-HNNXBMFYSA-N 404.514 -0.513 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1779093919 ARCOOPZWITWDDT-JGGQBBKZSA-N 420.304 -0.750 50 20 HBGD CC(=O)c1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)n[nH]1 1783936824 VHRGJIWYDGKZFG-LJQANCHMSA-N 420.470 -0.571 50 20 HBGD CC(C)N(C)CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1784770616 AJYIFRPTRBKFEO-FQEVSTJZSA-N 403.288 -0.850 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)C3CC(=O)C3)C2)C1 1785403767 YTESSLXETBAIQT-BOURKTIISA-N 415.450 -0.071 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](COC)NC(C)=O)[C@H]2C1 1788777096 URRWDNZSKCYJRH-GVRJEKJASA-N 419.906 -0.629 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCS(C)(=O)=O)[C@H]2C1 1791771400 JPPLWKREVFGLNW-XUXIUFHCSA-N 410.920 -0.345 50 20 HBGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)n1cccc1 1801254783 PDEWSRMYFZCYPV-VYCZESIESA-N 411.267 -0.368 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCCOC1 1802072992 IITPWJITMCMJLF-ZJOBFFGXSA-N 417.466 -0.685 50 20 HBGD C[C@H](CN)C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807365164 RVMBQCISCCYBEP-LSBZLQRGSA-N 410.283 -0.324 50 20 HBGD NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1825179456 QCZVQDVXRPZVOU-GFCCVEGCSA-N 416.268 -0.686 50 20 HBGD CN1CCC(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)CC1 1830720083 SHXGCOVXUKOKKS-QFBILLFUSA-N 417.934 -0.226 50 20 HBGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cnnn3)C2)C1 1831646171 IGPJQDLZMOTYLW-XJKSGUPXSA-N 400.867 -0.463 50 20 HBGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CC[C@H](N)C(N)=O)C2)C1 1831646570 MSGAXXGEXYSXFN-DEYYWGMASA-N 418.922 -0.557 50 20 HBGD Cc1nnsc1C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844264175 PKTJZSVUNFZSJJ-UHFFFAOYSA-N 401.452 -0.024 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)C(=O)Nc2cccnc2)C1 1844341804 DEPSFZHQEBWRLR-UHFFFAOYSA-N 423.433 -0.464 50 20 HBGD O=C(Cn1cnc2c(oc3ccccc32)c1=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 16145937 JJCMFDLWRJIFMA-JTQLQIEISA-N 404.404 -0.275 50 20 HBGD Cn1nc(Br)c2c(=O)n(CC(=O)NNC(=O)c3ccccn3)cnc21 727095843 AMRKCZIJCLOUFC-UHFFFAOYSA-N 406.200 -0.251 50 20 HBGD COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CCC[C@@H](S(N)(=O)=O)C1 746452326 SBTKDPQFOMKFOF-LLVKDONJSA-N 404.876 -0.138 50 20 HBGD O=C(CO)NNC(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 755689874 CZMUHBUNOVRXMX-UHFFFAOYSA-N 413.438 -0.487 50 20 HBGD Cn1nc2c(c1NC(=O)C(=O)NNC(=O)COc1ccccc1[N+](=O)[O-])CCC2 763803691 MPJRESCNGYMZDX-UHFFFAOYSA-N 402.367 -0.018 50 20 HBGD CC(C)c1csc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)n1 765313697 URQXSMPRZVVJBX-UHFFFAOYSA-N 420.455 -0.134 50 20 HBGD NS(=O)(=O)c1ccc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)nc1 769737468 CIEAGHQFTQSONF-UHFFFAOYSA-N 412.453 -0.903 50 20 HBGD COCCOc1ncccc1NC(=O)C(=O)NNC(=O)CNC(=O)c1cccs1 784005153 RCMWNVUGNHUBRC-UHFFFAOYSA-N 421.435 -0.316 50 20 HBGD COCCCOc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)cc1OC 806980013 IQEMAYSUVAULOJ-OAHLLOKOSA-N 411.411 -0.388 50 20 HBGD CN(C)c1c(C=NNC(=O)c2cccc(S(C)(=O)=O)c2)c(=O)n(C)c(=O)n1C 807963391 TYWGDWLHPRPYER-UHFFFAOYSA-N 407.452 -0.683 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CC[C@]2(CN(C(=O)C[C@@H]3NC(=O)NC3=O)CCO2)C1 1781224748 NZDYQYIWXUVMJL-HNHYXYPQSA-N 421.281 -0.349 50 20 HBGD C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2)n1cnnn1 1782594750 BTXPNOBOKDGCIR-OQMKEHIESA-N 400.867 -0.652 50 20 HBGD Cc1noc(CC(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)n1 1783933864 JVYFTNQDQWLHQE-SFHVURJKSA-N 408.459 -0.877 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CC3(F)F)C[C@@H]21)c1cccc(B(O)O)c1 1786983013 LAAOGXRQMVHPDF-HNKHHVNMSA-N 408.210 -0.385 50 20 HBGD CC(C)[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788607811 KEBUFMYDEGHTIO-STECZYCISA-N 419.482 -0.705 50 20 HBGD COC(=O)C1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)CC1 1796192166 PVZYMFRWBDTOKH-MUJYYYPQSA-N 400.240 -0.429 50 20 HBGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1800762903 JZHXFRQVMWAJLW-MCYUEQNJSA-N 419.320 -0.268 50 20 HBGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)n1cnnn1 1801438332 GDCKTWPVGKNMAY-YYHQMBLXSA-N 415.292 -0.003 50 20 HBGD NC(=O)CC[C@H](N)C(=O)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@@H]1c1cccnc1 1807041240 ARTHDACOMSLQTC-TTZDDIAXSA-N 411.890 -0.720 50 20 HBGD C[C@H](CN)C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807365157 RVMBQCISCCYBEP-BJZITVGISA-N 410.283 -0.324 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)COCCO)n[nH]1 1820928033 SANKJDBRUFCHSM-AWEZNQCLSA-N 410.475 -0.216 50 20 HBGD C[C@@H](NC=O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1 1822415715 RIMKNSNULHYWKV-TZMCWYRMSA-N 407.475 -0.091 50 20 HBGD C[C@@H](NC=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1822887784 AJEGBOMKLORHSP-MFKMUULPSA-N 416.268 -0.817 50 20 HBGD CCOC(CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2)OCC 1830738791 SPPLTQKDFCHDDR-RDTXWAMCSA-N 422.906 -0.168 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)OC)CCO2)C1 1834857154 SBXPSRGBSDMPFG-DYVFJYSZSA-N 406.863 -0.350 50 20 HBGD O=C(c1nc[nH]n1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839198704 ANUKFFGENHRVJD-RNCFNFMXSA-N 406.212 -0.435 50 20 HBGD CN[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2)C(=O)O 1840188263 ZNUHJATUFDXDPL-BMIGLBTASA-N 412.270 -0.691 50 20 HBGD O=C(NCC(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccco1 1843077825 RZUYFEXKCFYRTH-UHFFFAOYSA-N 411.223 -0.794 50 20 HBGD CC(=O)N(C)[C@H](C)C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1843426641 ZDUOTOZCXAUVRH-GFCCVEGCSA-N 402.455 -0.631 50 20 HBGD O=C(CCNS(=O)(=O)c1cccc(Br)c1)NNC(=O)c1cnn[nH]1 729456000 LNMLHUZWVQGPED-UHFFFAOYSA-N 417.245 -0.303 50 20 HBGD CC(C)(C)C(=O)NNC(=O)CN1CCN(Cc2nnnn2-c2ccccc2)CC1 744400876 PHZURWDODHMNNJ-UHFFFAOYSA-N 400.487 -0.027 50 20 HBGD C[C@@H]1CN(C[C@@H](C)C(=O)NNC(=S)NCCCN2CCOCC2)C[C@@H](C)O1 747726616 YHIKFTDIHXABGA-BZUAXINKSA-N 401.577 -0.051 50 20 HBGD COCCO[C@@H](C)C(=O)NNC(=O)NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1 748626232 CHNRYBWHCNUPRZ-VOJFVSQTSA-N 407.427 -0.377 50 20 HBGD COCCOC(=O)Nc1cccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 756223338 YEJSAJQTPUFJMW-SNVBAGLBSA-N 417.444 -0.028 50 20 HBGD Cc1cn(C2CCCCC2)nc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764228178 VFWKIBVAPLUJCV-LLVKDONJSA-N 414.488 -0.280 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cnccc1-c1cccc(F)c1 764234672 ZCTQADQKFSHAJG-SNVBAGLBSA-N 423.426 -0.089 50 20 HBGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cn1 770208908 PLIFHBIPFLJXHN-UHFFFAOYSA-N 416.419 -0.689 50 20 HBGD CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNc1ncc(F)cn1)CC2 784949298 KHGWMFPWAYALSE-UHFFFAOYSA-N 408.415 -0.054 50 20 HBGD Cc1ccc(S(=O)(=O)NNC(=O)C(C)C)cc1S(=O)(=O)N1CCOCC1 790384740 BLOOMWCNZSEJMT-UHFFFAOYSA-N 405.498 -0.019 50 20 HBGD CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)=NO1 798847478 ZWYNKGAYNNAONA-ZJUUUORDSA-N 404.445 -0.762 50 20 HBGD CC(C)C(=O)NNS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)C(C)C)cc1 811678538 XGGYJBUDXCEUMS-UHFFFAOYSA-N 406.486 -0.382 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CCn3ncn(C)c3=O)cc2)CC1 815854405 BBCJDPPQCYSQMD-UHFFFAOYSA-N 423.499 -0.949 50 20 HBGD CCS(=O)(=O)NCCNC(=O)NNC(=O)c1sc(N2CCOCC2)nc1C 916516323 KBVPEPZEKGODFJ-UHFFFAOYSA-N 420.517 -0.829 50 20 HBGD O=C(CNC(=O)c1cccnc1)NNC(=O)Cc1csc(N2CCCC2=O)n1 1323959047 PTISRIVODKNUJK-UHFFFAOYSA-N 402.436 -0.215 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCCO3)C2)C1 1783484771 UYIGLYVXFUSSKP-BEFAXECRSA-N 403.439 -0.692 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)CS(C)(=O)=O)CCO2)C1 1783871486 RXIHSALTGWXQBK-WWGRRREGSA-N 410.920 -0.249 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCCOC3)C2)C1 1785497344 PGMVYZZDZCZLGV-OXJNMPFZSA-N 402.256 -0.764 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCC=CO3)C[C@@H]21)c1cccc(B(O)O)c1 1786984217 QWMKUOJAQZXXNS-WNHJNPCNSA-N 414.267 -0.348 50 20 HBGD CCNC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](Cl)COC)C[C@@H]21 1788565725 MVPBTYBVUAGKRS-QTVXIADOSA-N 418.922 -0.073 50 20 HBGD CCNC(=O)N[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCC(=O)NN(C)C)C2 1798387078 VIYNAIMHZZKXSR-XQLPTFJDSA-N 410.519 -0.295 50 20 HBGD O=C([C@H](O)CCl)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 1830737999 KYABXWUAKLYTQE-ZURLZEQWSA-N 402.875 -0.390 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1=COCC1)CCO2 1840563890 SYKWVQHDZZKHTA-LJQANCHMSA-N 410.471 -0.880 50 20 HBGD CC(C)CNC(=O)C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1843433184 ZOHQVRHPMHDZEK-UHFFFAOYSA-N 402.455 -0.726 50 20 HBGD Cc1csc([C@](O)(CC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)C(F)(F)F)n1 729276907 NZRYUBMTFDIIRA-RDDDGLTNSA-N 418.419 -0.323 50 20 HBGD Cc1cc(NNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)nc(C)n1 736716310 AVBZFFIQGUKAKR-UHFFFAOYSA-N 404.452 -0.029 50 20 HBGD CN(C)c1nccc(NNC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)n1 740117552 KZCIVWGKCLBHEB-UHFFFAOYSA-N 421.483 -0.334 50 20 HBGD O=C(O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)NNC(=O)N3CCOCC3)cc2)C1 745833687 CKOOFKJQLPSBBU-NSHDSACASA-N 412.424 -0.641 50 20 HBGD CC(=O)Nc1cncc(C(=O)NNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)c1 746300148 QCRNKOVAZIENPL-UHFFFAOYSA-N 404.408 -0.701 50 20 HBGD COc1cc(C)nc(NNC(=O)c2ccc3c(c2)S(=O)(=O)N=C2N=CNN23)n1 746630282 HPXSLXJXLRCBDU-UHFFFAOYSA-N 402.396 -0.038 50 20 HBGD COc1cccc(NCC(=O)NNC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)c1 754415328 FATDGNGGMLPITO-UHFFFAOYSA-N 420.447 -0.173 50 20 HBGD Cn1cc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc(Br)c1=O 757676576 BOOLXLUOBFKGTN-SSDOTTSWSA-N 407.246 -0.265 50 20 HBGD CC(C)S(=O)(=O)c1ccc(CC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1 758048793 WKUJLGVJCMBKSS-LLVKDONJSA-N 405.498 -0.504 50 20 HBGD C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNC(=O)CCNC(=O)OC(C)(C)C 760451279 SQAQFYAZDKPQJH-JTQLQIEISA-N 418.476 -0.851 50 20 HBGD NS(=O)(=O)c1ccc(C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)cn1 764093799 IRHNPPNSPINDDR-UHFFFAOYSA-N 411.465 -0.073 50 20 HBGD CC[C@@H](C)n1ncc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1C1CC1 764234816 ZYYWAADCDRCLMF-NXEZZACHSA-N 414.488 -0.245 50 20 HBGD CCO[C@@H]1C[C@H]1C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 766637128 YEIWRCAQWKIOMY-IAGOWNOFSA-N 424.523 -0.126 50 20 HBGD Cc1cnn(Cc2ccccc2F)c1NC(=O)C(=O)NNC(=O)[C@@H]1COCCO1 769264825 GWBUJXDSSMYKAG-AWEZNQCLSA-N 405.386 -0.120 50 20 HBGD C[C@@H](C(=O)N(C)C)S(=O)(=O)NN(C)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 774926676 KKAXGHFBRFHXPG-LBPRGKRZSA-N 421.520 -0.098 50 20 HBGD Cn1c(CCC(=O)NNC(=O)CO)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 777781692 BGMUDSCZIUVEJY-UHFFFAOYSA-N 423.495 -0.180 50 20 HBGD COc1ccc(S(N)(=O)=O)cc1C(=O)NNC(=O)CNC(=O)OC(C)(C)C 778433533 OAUUOYCDWSCXJG-UHFFFAOYSA-N 402.429 -0.372 50 20 HBGD COC(=O)COCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 806306388 MTSWHFIUMKJSRD-UHFFFAOYSA-N 413.452 -0.188 50 20 HBGD Nc1nccnc1C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 821992330 QHMZRUXUJPGZFC-UHFFFAOYSA-N 406.424 -0.846 50 20 HBGD CN1CCN(CCCNC(=O)NNC(=O)C(=O)NC2CC2)[C@@H](c2ccccc2)C1 916485486 YAZAFVXMURQDAS-QGZVFWFLSA-N 402.499 -0.026 50 20 HBGD CSC[C@H](C(=O)NNC(=O)CN1CCCC1=O)N1C(=O)[C@H]2CCCC[C@H]2C1=O 920827409 TYOOIAHPCMBHES-FRRDWIJNSA-N 410.496 -0.337 50 20 HBGD O=C(NNS(=O)(=O)c1cncc(Br)c1)N[C@@H]1CCS(=O)(=O)C1 1257411154 IUGQBWYTSBZEOF-MRVPVSSYSA-N 413.275 -0.476 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](COC)NC(C)=O)C2)C1 1779315995 ASDOFLGOOASDAD-GRDNDAEWSA-N 405.879 -0.779 50 20 HBGD O=C(c1c(O)cc(O)cc1O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1781809554 QKMOIGZTRMMWCJ-SUMWQHHRSA-N 400.815 -0.153 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)CN3CCN(C)CC3)CCO2)C1 1783873993 AYUSCWKCRAOUDA-YJBOKZPZSA-N 402.923 -0.683 50 20 HBGD Cc1noc(N)c1C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783933847 IWECCPHZNLPPGU-GOSISDBHSA-N 408.459 -0.618 50 20 HBGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCC(=O)NC3)C[C@@H]21 1791250458 FUABMVCYLIKYLL-YTFOTSKYSA-N 401.891 -0.254 50 20 HBGD COc1ccc([C@H](O)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)cc1 1792718153 XSOIIYKBNXCWSH-IEHFGQBSSA-N 412.870 -0.082 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1ccccc1=O)c1ccc(B(O)O)cc1 1796224073 LQQVTYCURQJOKE-BCDXTJNWSA-N 409.251 -0.520 50 20 HBGD C[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCC(=O)NN(C)C)C2)N1CCN(C)CC1 1799969524 DLTXUVCJLGCFAY-FJIDUMEYSA-N 422.574 -0.367 50 20 HBGD CCC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(CCO)CCO 1800576359 LVKRNJCLWVFAFM-JYYAWHABSA-N 405.923 -0.730 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(F)nc1)C2 1801011381 IWNNJJCWLPIFEL-ZSBFGKGUSA-N 407.446 -0.203 50 20 HBGD CCNC(=S)NCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1801241066 BYCPMMLUWIHENT-MUJYYYPQSA-N 418.328 -0.898 50 20 HBGD O=C(COCCO)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1820923012 HTASWQWRYUAPQZ-INIZCTEOSA-N 416.243 -0.596 50 20 HBGD NC(=O)NCC(=O)N1CCC(N2CCC(NC(=O)[C@@H](F)Br)CC2)CC1 1836414610 TVSMHAFGSZTSCU-CYBMUJFWSA-N 422.299 -0.083 50 20 HBGD CN1CC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)C1 1839203800 WPUNJHGIGZOZDB-IUODEOHRSA-N 408.268 -0.305 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccn(C)n3)C2)C1 1840152111 XQAFTXUGEUXVOL-CRAIPNDOSA-N 414.890 -0.327 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)CCN1CCCC1)C2 1844265486 IIXAWZIYQOKGQH-UHFFFAOYSA-N 400.483 -0.012 50 20 HBGD CCS(=O)(=O)NCC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 759660811 NZYRQBALFWJIEW-UHFFFAOYSA-N 419.529 -0.995 50 20 HBGD O=C(CCc1ccccc1)NNC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 764201751 AISNSUADSQUMSW-UHFFFAOYSA-N 414.466 -0.066 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NN=C2C(=O)Nc3cccc(Cl)c32)n(C)c1=O 764818754 UZZBUUPADFGOQH-UHFFFAOYSA-N 415.797 -0.440 50 20 HBGD CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)C1 765071465 YVUPJIGNWALBFK-RYUDHWBXSA-N 420.488 -0.470 50 20 HBGD CSCCNC(=S)NNC(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21 769770081 PVQZNBRLRCQZIY-UHFFFAOYSA-N 419.510 -0.900 50 20 HBGD CC(C)c1cc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)n(-c2ncccn2)n1 789259772 MNWLTNPWDYLIOZ-SNVBAGLBSA-N 410.460 -0.124 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)CNS(=O)(=O)c1c(F)cccc1F 810307929 NAKCEBHWJBBUFN-UHFFFAOYSA-N 416.362 -0.587 50 20 HBGD NC(=O)c1ncn2c(C(=O)NNC(=O)CN3CCCC3=O)cc(-c3ccco3)nc12 920435441 HTTZEBMZWYCFNE-UHFFFAOYSA-N 411.378 -0.528 50 20 HBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)C(=O)c2cccn2C)CC1 1117375940 VXFSXBGIIWETCT-UHFFFAOYSA-N 406.468 -0.318 50 20 HBGD CS(=O)(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781335086 SKJGMDPLJBBOME-WCQYABFASA-N 415.281 -0.059 50 20 HBGD CN(CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2)C(=O)C(=O)O 1782749385 DHXUATOCWQMORS-JKSUJKDBSA-N 424.281 -0.404 50 20 HBGD C[C@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NNC(=O)C3)C[C@@H]21 1783967406 SNHHUGZGLGQESS-BLFANLJRSA-N 415.288 -0.127 50 20 HBGD C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784085402 ISAISFQMAXOOBM-YHQUGGNUSA-N 410.920 -0.754 50 20 HBGD O=C1CC[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](F)Br)C[C@@H]32)N1 1786676067 XQKVRDVYNIIGAE-XPORZQOISA-N 406.252 -0.065 50 20 HBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)CCl 1793117722 BCHLIDDXHIJZQL-ZIRHEVKLSA-N 411.890 -0.305 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1ccccc1=O)c1cccc(B(O)O)c1 1796224041 IQGDDQVFFHFSQJ-BCDXTJNWSA-N 409.251 -0.520 50 20 HBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncs1)C2 1797749597 GQOAOOXTVWTFEM-QHBPRCKVSA-N 416.463 -0.341 50 20 HBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)N1CCN(C)CC1 1799186947 VUWQZLQHQKKEDV-UHDSXZAQSA-N 416.950 -0.534 50 20 HBGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(O)nc1O)C2 1800975177 KYEOABSJTQSWPY-RBLKWDMZSA-N 400.819 -0.655 50 20 HBGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)n1cnnn1 1801431743 GQOUBEWQDYHAGC-NJMOYASZSA-N 415.292 -0.145 50 20 HBGD O=C1NC(=O)[C@H](CC(=O)N2CCC3(CCCN(C(=O)[C@@H](O)CCl)C3)CC2)N1 1805517552 JFEIQIIDKHKOMA-RYUDHWBXSA-N 400.863 -0.585 50 20 HBGD C[C@@H](CN)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnccc1C(=O)NN)CC2 1814750602 IFYPMELZZMWEMV-UWVGGRQHSA-N 417.495 -0.038 50 20 HBGD CN(C)C(=O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817471503 QHKFAQNHCZXQMI-HNNXBMFYSA-N 413.243 -0.516 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)n[nH]3)C2)C1 1840151875 PTJSEISZEFXYFU-BDJLRTHQSA-N 402.835 -0.561 50 20 HBGD COC(=O)CSCC(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844263455 HBNZZWDHHNJJHK-UHFFFAOYSA-N 421.479 -0.592 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)[C@@H](N)Cc1cscn1)C2 1846384853 RPZNQYZKGJLMTM-AWEZNQCLSA-N 408.528 -0.411 50 20 HBGD C[C@@]1(C2CC2)NC(=O)N(CC(=O)NNC(=O)c2csc(N3CCOCC3)n2)C1=O 12804073 HLWBXALJILWNOH-KRWDZBQOSA-N 422.467 -0.539 50 20 HBGD NC(=O)CNC(=S)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 727065059 RSXNQOVDMYXZPV-UHFFFAOYSA-N 410.463 -0.017 50 20 HBGD CN(C)N(C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[C@@H]1CCS(=O)(=O)C1 728177051 RGRNOJZLGDIWJP-SNVBAGLBSA-N 410.408 -0.317 50 20 HBGD C[S@](=O)CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 745848418 MSALQDRYOULVPS-VWLOTQADSA-N 402.498 -0.206 50 20 HBGD O=C(NNC(=O)c1cnccn1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 755353496 IXFOIWUOUQYFPJ-UHFFFAOYSA-N 406.424 -0.036 50 20 HBGD O=C(CNS(=O)(=O)c1ccc2c(c1)COC2)NNC(=O)COc1ccccc1O 759782573 BHNSRMDVMWYJBH-UHFFFAOYSA-N 421.431 -0.073 50 20 HBGD CCCS(=O)(=O)Nc1ccc(S(=O)(=O)NNC(=O)C(=O)NC(C)C)cc1F 762463545 UDYJGWWJLYNCIE-UHFFFAOYSA-N 424.476 -0.189 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(C(=O)C(C)(C)C)cc1 764226619 JIUMISDHISXJBN-SNVBAGLBSA-N 412.468 -0.061 50 20 HBGD Cc1c(Cl)cc(F)c(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1F 764229921 FEOQPTPZKTVBPZ-LURJTMIESA-N 412.802 -0.050 50 20 HBGD CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NNc1nc(O)c2cnn(C(C)(C)C)c2n1 770957616 CIOKDVRPZQPGJH-GFCCVEGCSA-N 418.458 -0.143 50 20 HBGD COc1ccc(C(=O)NNC(=O)CN2CCN(C(=O)CN(C)C)CC2)cc1OC 771794964 IUUOGZNSGDTRLR-UHFFFAOYSA-N 407.471 -0.829 50 20 HBGD O=C(CN1CCCC1=O)NNC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O 789857375 RVFMCXRAVJKLIN-CYBMUJFWSA-N 414.418 -0.155 50 20 HBGD C[C@H](CC(=O)NNC(=O)N1CCN(C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 807382399 BLYUOIPHOYOKRQ-GFCCVEGCSA-N 408.484 -0.508 50 20 HBGD Cc1cc(C(F)(F)F)ncc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 810386715 OEDGBVOPCYNVBB-ZETCQYMHSA-N 411.362 -0.568 50 20 HBGD COc1ccccc1NCC(=O)NNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 825615483 YUPXZLGYFMCXAP-UHFFFAOYSA-N 417.447 -0.007 50 20 HBGD Cn1cnc2c1c(=O)n(CC(=O)NNC(=O)Cc1ccc3ccccc3c1)c(=O)n2C 917196421 QLVXGHDSEYFGIW-UHFFFAOYSA-N 420.429 -0.023 50 20 HBGD CN(C)C(=O)CN1CCC(NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CC1 1318393145 VLHBAUSKMWNFNO-UHFFFAOYSA-N 415.458 -0.841 50 20 HBGD CC(C)(C)[C@@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779028671 HUGATJCPHJAVJW-MGPUTAFESA-N 419.482 -0.464 50 20 HBGD CCOC(=O)N[C@@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2 1779197066 GMULPZFKAHCVDW-ALYFQZSWSA-N 421.878 -0.836 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4nncn4c3)C[C@@H]21)[C@H](O)CCl 1784092167 IFZVJVOPQGFOAW-XQLPTFJDSA-N 407.858 -0.078 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@H]2CO[C@@H](CNC(=O)C34CC(F)(C3)C4)[C@H]2C1 1784585583 BCRAGIVWUATJBB-ZZMFMQDLSA-N 416.258 -0.148 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccnc3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979452 KLWZNIYHUTWXJX-WDSOQIARSA-N 409.251 -0.332 50 20 HBGD Cc1nc[nH]c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786979927 QCVPIDMZSWVELC-XIRDDKMYSA-N 412.255 -0.695 50 20 HBGD CCS(=O)(=O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)Br)C2 1793322179 QRIYJMCDQBZTMV-HNCHTBHHSA-N 411.318 -0.206 50 20 HBGD CCC[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 1793445625 OONVXKGYZXKMQK-XJGUIPMBSA-N 400.863 -0.418 50 20 HBGD CNc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)cc1 1795557949 RXZDMJXWLLPWDO-XEMDLRDOSA-N 423.278 -0.075 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cccnc1 1795865128 PQYJTQHWYVMXRZ-CCWDJLKJSA-N 424.461 -0.474 50 20 HBGD CC[C@@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CO[Si](C)(C)C)C2 1796320002 FKJNKXFOEUQMOG-QVHKTLOISA-N 400.552 -0.126 50 20 HBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(OC)n(C)n1 1798760359 YORDWVRMXQWYLR-OXIQGZBJSA-N 400.863 -0.114 50 20 HBGD NC(=O)CC[C@H](N)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](O)CCl)[nH]n1 1817245257 JFAHSLBINPKMFO-WCQGTBRESA-N 400.867 -0.406 50 20 HBGD O=C1C[C@@H](C(=O)N2CCC(N3CCC(NC(=O)[C@@H](O)CCl)CC3)CC2)CCN1 1833313030 RCZKLBLOOATTDX-BBRMVZONSA-N 414.934 -0.316 50 20 HBGD Cc1c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cnn1C 1834420715 RCFWXJZIMKYYKR-RHSMWYFYSA-N 400.863 -0.602 50 20 HBGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@H](NC)C(=O)O)CCO2)C1 1835762312 JEMCCSOXRYFAIL-DCGLDWPTSA-N 405.879 -0.477 50 20 HBGD O=C(Cn1cncn1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199753 SZPGQSRJROQTIX-JSGCOSHPSA-N 420.239 -0.575 50 20 HBGD C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839840203 AAOWQIRAVXBKJG-KKSFZXQISA-N 416.283 -0.351 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ncccn3)C2)C1 1840150836 RPVMOAABFHSVNT-KDOFPFPSSA-N 412.874 -0.271 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc(C)[nH]n3)C2)C1 1840153370 MEKHDNYPJPFQEN-MAUKXSAKSA-N 414.890 -0.029 50 20 HBGD Cc1cnoc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840184871 BNOFAWXSSATFGI-LJQANCHMSA-N 423.470 -0.574 50 20 HBGD C[C@H](CBr)C(=O)N1CCCC12CN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2 1841286444 GHWAEQIZQZURHN-SECBINFHSA-N 424.259 -0.339 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)CCN2CCOCC2)C1 1842839991 AJGPNYAKMKYRTO-UHFFFAOYSA-N 416.482 -0.776 50 20 HBGD O=C(CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)NNC(=O)C(=O)NC1CC1 9889214 HERQBPBFSYDSDN-UHFFFAOYSA-N 409.251 -0.302 50 20 HBGD Cn1c(=O)c2c(ncn2CCC(=O)NNC(=O)c2cc(Cl)ccc2O)n(C)c1=O 10626782 FLSHDKKCPPKPMK-UHFFFAOYSA-N 420.813 -0.356 50 20 HBGD NS(=O)(=O)c1ccc(C(=O)NNC(=O)CNC(=O)c2ccco2)cc1Cl 725909402 LYYZROZNWNHVKX-UHFFFAOYSA-N 400.800 -0.229 50 20 HBGD COc1ccc(OCCS(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 742028154 ARTFRNOYLKQHGV-LLVKDONJSA-N 407.470 -0.605 50 20 HBGD O=C(Cc1cn2ccccc2n1)NNC(=O)NCCNS(=O)(=O)c1cccnc1 746326530 RGKSYCPKCFYXHF-UHFFFAOYSA-N 417.451 -0.419 50 20 HBGD COCCO[C@H](C)C(=O)NNC(=O)NCC(=O)N1CCN(c2ccccc2)CC1 748626531 DFBVZDPDPPKKHP-OAHLLOKOSA-N 407.471 -0.283 50 20 HBGD O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NNC(=O)C(=O)N1CCCC1 758693643 UQQFCKLURBQECF-UHFFFAOYSA-N 413.412 -0.679 50 20 HBGD COc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NNC(C)=O)CC2)cc1 767811987 ZBXGAKGSOVNQFB-UHFFFAOYSA-N 412.468 -0.524 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(OCC(F)(F)F)nc1 777931213 QJSHEYNSYCJZFG-ZETCQYMHSA-N 420.391 -0.730 50 20 HBGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)CN3CCN(C)C(=O)C3)CC2)cc1 780926567 MEDXZSFCKJAIMA-UHFFFAOYSA-N 416.526 -0.966 50 20 HBGD O=C(COC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)c1ccccc1 786368466 VUMXUSOHDXNKJG-KFZJALRRSA-N 415.402 -0.457 50 20 HBGD Cc1csc(CC(=O)NNC(=O)CN2CCC[C@H](N3CCCS3(=O)=O)C2)n1 789371284 SFGKJMHPDFIXBV-ZDUSSCGKSA-N 415.541 -0.359 50 20 HBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCCS(=O)(=O)N(C)C 811851614 KZAOLUKNZISIGX-UHFFFAOYSA-N 420.517 -0.876 50 20 HBGD CC(C)(C)C(=O)NNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 917181630 XVXKZDXXYQBVBO-ZDUSSCGKSA-N 419.525 -0.038 50 20 HBGD O=C(NCc1nnnn1CC1CC1)NNC(=O)c1csc(N2CCOCC2)n1 1325691796 LRUFAHGWLBVMLD-UHFFFAOYSA-N 407.460 -0.480 50 20 HBGD O=C(Cc1cn2ccccc2n1)NNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 1330445214 NFCHDRKBQYLJKA-TZMCWYRMSA-N 419.463 -0.940 50 20 HBGD CCN=c1nc(NCC)n2c(SCC(=O)NNC(=S)NC(C)C)n[nH]c2n1 1337742860 ZHYVXPSQYXCOFJ-UHFFFAOYSA-N 412.549 -0.199 50 20 HBGD C[Si](C)(C)OCC(=O)N1CC[C@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1 1779294081 LAWWFANTXRPLDJ-LJQANCHMSA-N 423.542 -0.017 50 20 HBGD C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782210264 LHMYNMHWGGWBEK-CSODHUTKSA-N 422.526 -0.088 50 20 HBGD C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2)n1cnnn1 1782594749 BTXPNOBOKDGCIR-BRXULGCHSA-N 400.867 -0.652 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCCCN1C)CCO2 1783932965 NGDQQOTZYZDPJZ-JXFKEZNVSA-N 409.531 -0.326 50 20 HBGD C[C@@H](Cn1ccnc1)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783937042 DXFUUULVFOWWKR-JXFKEZNVSA-N 420.514 -0.278 50 20 HBGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CNC(=O)C3)C[C@@H]21 1791063686 PWEMUHLGTYPQAO-WJTVCTBASA-N 402.289 -0.114 50 20 HBGD COc1cnc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)cn1 1795324843 RYMRICBEVORJRV-MUJYYYPQSA-N 410.239 -0.269 50 20 HBGD CN[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2)C(=O)O 1795640471 VVQGOGKKUCZPEE-MIJXAVMKSA-N 406.277 -0.576 50 20 HBGD CO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796445486 CGEUHWILSWTUDN-NBIBKWCUSA-N 405.455 -0.255 50 20 HBGD C[C@H](NC=O)C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807367160 QWPYSDPURPVFPG-YJLNNSPDSA-N 424.266 -0.785 50 20 HBGD CCc1oncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830724974 KQHLMHFULJVYDO-GUYCJALGSA-N 401.847 -0.093 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCO2)C1 1839079249 HLADNSMESKVBII-PYTWLRIVSA-N 424.325 -0.598 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C(\C)NC(C)=O)CCO2)C1 1839648895 NLBRETBVNRTBOW-JMRBOTPCSA-N 417.890 -0.264 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)OC)CCO2)C1 1840322382 ALEDXKPNZUZLFO-LRDDRELGSA-N 407.851 -0.947 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)Cn3ccc([N+](=O)[O-])n3)cc2)CC1 728215594 HKMMEHVBIGIIFH-UHFFFAOYSA-N 423.455 -0.129 50 20 HBGD O=C(Cn1c(=O)nc(O)c2ccccc21)NNC(=O)C1CCN(c2ncccn2)CC1 728981676 VEAAZRYPXOHYCT-UHFFFAOYSA-N 423.433 -0.044 50 20 HBGD O=C(C[C@@H](C(=O)NNC1=N[C@H]2C=C[C@H]1C2)N1CCOCC1)NNC1=N[C@H]2C=C[C@H]1C2 741766932 QMPHJILOYVSVPM-QXKUPLGCSA-N 413.482 -0.968 50 20 HBGD COc1ccc(NCC(=O)NNC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cc1 743297532 OFFILMJEOZJXAW-BQGCOEIASA-N 402.407 -0.583 50 20 HBGD C[S@](=O)CCNC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 745846437 XUTJCGLUPGQFAY-VWLOTQADSA-N 402.498 -0.206 50 20 HBGD O=C1CN(c2ccc(NC(=O)C(=O)NNC(=O)[C@@H]3Cc4ccccc4O3)cc2)CCN1 764163748 LQPWBRHMFLDXDA-KRWDZBQOSA-N 423.429 -0.288 50 20 HBGD CCNS(=O)(=O)c1ccccc1S(=O)(=O)NNC(=O)C(=O)NC(CC)CC 777632137 HHEQIRBOZRYSIJ-UHFFFAOYSA-N 420.513 -0.401 50 20 HBGD O=C(NNC(=O)C(=O)NC1CC1)C(=O)Nc1ccccc1I 782966751 PDOLDKNVLBUZFJ-UHFFFAOYSA-N 416.175 -0.344 50 20 HBGD CC(C)[C@@H](C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1cccnc1 797940131 NMZDIYCEJKOYLS-CQSZACIVSA-N 413.438 -0.584 50 20 HBGD CCOCC(=O)NNC(=O)C(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 806980277 SAWBAQYGXBQGPD-CHWSQXEVSA-N 404.423 -0.794 50 20 HBGD CS(=O)(=O)C[C@H]1CCCN(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1 1347600965 VYXQINRCYGHLMG-LBPRGKRZSA-N 407.456 -0.227 50 20 HBGD CC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCS(=O)(=O)CC3)CCO2)C1 1781215944 YXUGHKLANYBYRY-WMLDXEAASA-N 421.947 -0.436 50 20 HBGD CCOCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1782674098 REYBELHLRCXMLC-WIYYLYMNSA-N 418.299 -0.080 50 20 HBGD CN(CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2)C(=O)C(=O)O 1782749381 DHXUATOCWQMORS-CVEARBPZSA-N 424.281 -0.404 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccncc3)C[C@@H]21)c1ccc(B(O)O)cc1 1786982025 YUJNGLGDDDNSFQ-IHPCNDPISA-N 423.278 -0.403 50 20 HBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Cl 1796368268 HWTOMTVJUKTWBN-BJBXXJATSA-N 415.853 -0.419 50 20 HBGD CC(=O)NCC(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813074505 SNTQFWUGEBQLOQ-JXFKEZNVSA-N 418.498 -0.404 50 20 HBGD COc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)nn1 1830730726 CHGRRNGFOBURHV-SUMWQHHRSA-N 414.846 -0.845 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(=O)oc3)CCO2)C1 1834597255 AJKQVHKWMMSRKJ-KDOFPFPSSA-N 414.842 -0.036 50 20 HBGD CS(=O)(=O)C[C@@H]1CCCN(C(=O)NNC(=O)CNC(=O)c2cccs2)C1 725873346 MMWKUUURBAORQW-LLVKDONJSA-N 402.498 -0.025 50 20 HBGD COc1ccc(CN2CC[C@H](NC(=O)NNC(=O)C(=O)N3CCCC3)C2=O)cc1 734683855 JMIUKWLKBZWWFN-HNNXBMFYSA-N 403.439 -0.251 50 20 HBGD C[C@H]1Cc2cc(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc(Cl)c2O1 736063459 PHEKRRVKUGJDIP-YUMQZZPRSA-N 411.889 -0.089 50 20 HBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCN(S(=O)(=O)Cc2ccon2)CC1 744414932 KSSOBNSXOXCBJF-CYBMUJFWSA-N 401.489 -0.296 50 20 HBGD Cc1c(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cnn1CCO[C@H]1CCCCO1 758047288 KOVAKMOWWZILMP-RISCZKNCSA-N 417.488 -0.567 50 20 HBGD O=C(CC(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1)NCC(F)(F)F 764580102 UJDHCPLFDKBZRA-LLVKDONJSA-N 419.312 -0.414 50 20 HBGD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1C 765062066 SJENLCLAIBKFQF-SNVBAGLBSA-N 406.442 -0.109 50 20 HBGD N#Cc1ncn(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)n1 769038912 VYDNHUWZDIEHMJ-UHFFFAOYSA-N 417.451 -0.214 50 20 HBGD Cc1nnc(CN(C)CC(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)n1C 772884048 HUDIKBXXWFDMGM-UHFFFAOYSA-N 407.862 -0.327 50 20 HBGD CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNC(=O)c1cccc(C)n1)CC2 797370045 TUHWRNFIPNNRSH-UHFFFAOYSA-N 417.447 -0.352 50 20 HBGD C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)CNS(=O)(=O)N(C)C 816828612 KJXMKSMYRUQJGT-VIFPVBQESA-N 423.289 -0.240 50 20 HBGD O=C(NNC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1)N[C@@H]1CCS(=O)(=O)C1 920292920 JXPRUXMNSYBNCA-CABCVRRESA-N 408.480 -0.262 50 20 HBGD C[C@H](NC(=O)NNC(=O)c1csc(N2CCOCC2)n1)C(=O)NCC(F)(F)F 1115879087 ZFCIYQCBIAWIJQ-QMMMGPOBSA-N 424.405 -0.009 50 20 HBGD CN(C)Cc1cc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)no1 1323830857 HVBHCABHMXFFRS-UHFFFAOYSA-N 414.466 -0.045 50 20 HBGD Cc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c(O)n1 1780275492 MTBFQQMEGKIQOF-HXUWFJFHSA-N 419.482 -0.088 50 20 HBGD CNC(=S)NCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784092644 OQIRMKINYOTJPM-CYDGBPFRSA-N 406.936 -0.950 50 20 HBGD O=C(CN1C(=O)CNC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(Cl)Cl)C[C@@H]21 1784954707 XTASJRQHXGJKIU-GUBZILKMSA-N 407.254 -0.678 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=COCC3)C[C@@H]21)c1ccc(B(O)O)cc1 1786982322 XJBIHNJWCHZUMW-WBAXXEDZSA-N 400.240 -0.736 50 20 HBGD C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1793819937 GRPMQOZKCGVBFU-JLVBRIDZSA-N 404.297 -0.511 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCC(CO)CC1 1793854243 RVLQKTIEXOENMW-UQEIKLDCSA-N 424.542 -0.252 50 20 HBGD CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795735738 BLWSPPNFAKTXBS-SCNOPHJPSA-N 417.271 -0.630 50 20 HBGD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)cn1C 1795738749 CLBDGEDFZTYIAD-IZZQQSIFSA-N 411.267 -0.470 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nc[nH]c1[N+](=O)[O-])c1ccc(B(O)O)cc1 1796849855 ARVZWZRXYBNUQM-BTTYYORXSA-N 413.199 -0.437 50 20 HBGD Cc1ncccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801009405 FXPZAGJDBBPZGS-CCWDJLKJSA-N 403.483 -0.034 50 20 HBGD C[C@@H](NC=O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1 1822415714 RIMKNSNULHYWKV-OCCSQVGLSA-N 407.475 -0.091 50 20 HBGD C[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2)C1(O)CCC1 1830719790 KOAPNHXHXLLHNM-JKIFEVAISA-N 404.891 -0.406 50 20 HBGD O=C(c1[nH]nc2ncccc12)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830728903 YWBFSQUGHFFHAI-ACJLOTCBSA-N 423.857 -0.372 50 20 HBGD Cn1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cn1 1830737740 IRRRGKNBOOPVKY-WMLDXEAASA-N 400.863 -0.981 50 20 HBGD Cn1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Cl)C3)C2)c1=O 1831885280 MHCXZGGZZHTOGF-DYVFJYSZSA-N 401.822 -0.010 50 20 HBGD CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)CCC1 1835933979 JGSNFMRQNOHTTD-OAQYLSRUSA-N 416.283 -0.373 50 20 HBGD Nc1n[nH]c(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Cl)C3)C2)n1 1837272334 SLRIUYRRLFAYGH-DOMZBBRYSA-N 404.830 -0.690 50 20 HBGD CCOC(=O)N[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](Cl)CC)CCO2)C1 1839145285 CBTMWHXXGOAFOZ-XNJGSVPQSA-N 421.878 -0.475 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2cc3n(n2)CCCO3)C1 1844073333 PYLSQEKBAOCTEA-UHFFFAOYSA-N 404.471 -0.144 50 20 HBGD CN(C)C(=O)CN1CCC(NC(=O)NNC(=O)COc2ccc(C#N)cc2)CC1 731762298 NXAPKZOHSOVNQO-UHFFFAOYSA-N 402.455 -0.180 50 20 HBGD COc1cc(C(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)ccc1OCC(N)=O 732260640 XAHYEAWOYOAJQV-CHWSQXEVSA-N 408.455 -0.180 50 20 HBGD Cc1ccc(OCC(=O)NNC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1C 742472220 NKZQTLWBQIKREM-DTDBQYNISA-N 401.419 -0.008 50 20 HBGD COC(=O)Cn1cc(S(=O)(=O)NNC(=O)C(=O)Nc2ccc(C)c(C)c2)cn1 743250963 MCIXLYJVTMUWPT-UHFFFAOYSA-N 409.424 -0.379 50 20 HBGD O=C(NNC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)[C@@H]1COCCO1 745998998 QBBRFIDAWWCCBG-AWEZNQCLSA-N 407.383 -0.491 50 20 HBGD C[C@H]1CN(C)CC1=NNC(=O)[C@@H](CC(=O)NN=C1CN(C)C[C@H]1C)N1CCOCC1 752166095 PUXUFEJGIQJGFX-RVKKMQEKSA-N 421.546 -0.815 50 20 HBGD CCOc1ccc(N2C[C@H](C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)CC2=O)cc1 758036758 VALMPZSOXGHIFA-VXGBXAGGSA-N 412.468 -0.477 50 20 HBGD CCCCS(=O)(=O)NCC(=O)NNC(=O)c1csc(N2CCOCC2)n1 761135304 GTFOLCCRBCQVMG-UHFFFAOYSA-N 405.502 -0.540 50 20 HBGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C(=O)Nc1ccc2c(c1)C(=O)NCC2 763571400 IPCRZDFVIREHEL-INIZCTEOSA-N 410.386 -0.102 50 20 HBGD CC(C)OCCS(=O)(=O)NCC(=O)NNC(=O)CSc1ccccc1O 764043071 OCWFOHCROSNOHH-UHFFFAOYSA-N 405.498 -0.024 50 20 HBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(OC)c(-n2nnnc2C2CC2)c1 764319006 INKNXAAYXUGVQS-UHFFFAOYSA-N 403.399 -0.329 50 20 HBGD CC[C@@H](N=c1nn[nH]n1-c1ccccc1)C(=O)NNC(=O)CNC(=O)OC(C)(C)C 778438737 WIQMRHYYRFAKRA-CYBMUJFWSA-N 418.458 -0.053 50 20 HBGD COc1ccc(NCC(=O)NNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1 914831578 CFXWOQSIFJVLTR-OCCSQVGLSA-N 424.479 -0.710 50 20 HBGD CO[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1782240790 VLCOXTLEWPGELA-JNAXZKDPSA-N 404.272 -0.471 50 20 HBGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1 1795285283 QJCGMMQDDPTGQK-HNRZYHPDSA-N 402.289 -0.114 50 20 HBGD O=C(CCN1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830722461 CBEHZLRQDGVWKZ-APWZRJJASA-N 417.934 -0.082 50 20 HBGD Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)n[nH]1 1840185025 FIFTTYTWTRWSET-LJQANCHMSA-N 422.486 -0.839 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)CN2CCOCC2)C1 1842824935 FQZISWXOVZORCU-PXLXIMEGSA-N 416.482 -0.344 50 20 HBGD O=C([C@@H](O)CCl)N1CC2(CCCN2C(=O)c2n[nH]c3c2CS(=O)(=O)C3)C1 1843129433 QVTFGGIZZJNLLN-NSHDSACASA-N 402.860 -0.745 50 20 HBGD CS(=O)(=O)N[C@@H]1CCCN(C(=O)NNC(=O)CNC(=O)c2cccs2)C1 725873907 SCEUKPFKVSZAQJ-SNVBAGLBSA-N 403.486 -0.768 50 20 HBGD COc1ccc([C@]2(C)NC(=O)N(CC(=O)NNC(=O)Cc3cc[nH]n3)C2=O)cc1 730103158 YPUMJAKUOPBUIJ-SFHVURJKSA-N 400.395 -0.425 50 20 HBGD C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)NNC(=O)c1csc(N2CCOCC2)n1 736371129 SEJTVPJRYQHIOO-QWRGUYRKSA-N 417.513 -0.159 50 20 HBGD O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)NNC(=O)N1CCOCC1 745993186 ZNOVVNVIVHPULE-UHFFFAOYSA-N 418.497 -0.616 50 20 HBGD NS(=O)(=O)c1cccc(N2C[C@H](C(=O)NNC(=O)Cc3ccccn3)CC2=O)c1 746220792 MUFQNPROGKIJOD-GFCCVEGCSA-N 417.447 -0.528 50 20 HBGD Cc1csc(CC(=O)NNC(=O)CN2CCN([C@H](C)C(=O)N3CCCC3)CC2)n1 756045424 FFQBYBKPDVMHPZ-OAHLLOKOSA-N 422.555 -0.230 50 20 HBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 772186679 QBVZJUJEJRMGMH-BXKDBHETSA-N 421.859 -0.532 50 20 HBGD CN1CCN(C(=O)NNC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)CC1 773674057 RRXNNJIZXYCVSU-UHFFFAOYSA-N 400.439 -0.954 50 20 HBGD CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)COc1ccc(C#N)cc1 786414315 LFGICTDEUBNSNI-UHFFFAOYSA-N 414.378 -0.367 50 20 HBGD CNS(=O)(=O)c1ccc(NC(=O)NNC(=O)[C@H]2COc3ccccc3O2)nc1 792400246 MXHMJNPUTLTELW-CYBMUJFWSA-N 407.408 -0.018 50 20 HBGD CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)NNC(=O)CNC(=O)c1ccco1 799912264 UHMZBBNPYBVZAG-QWRGUYRKSA-N 401.445 -0.942 50 20 HBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccccc1N 800234083 BOFHBFNDNSDKFQ-LLVKDONJSA-N 400.457 -0.328 50 20 HBGD CCCNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)[C@H]2CCCO2)c2ccccc2O1 815778275 JYCZPHSROLYZLT-HUUCEWRRSA-N 404.423 -0.367 50 20 HBGD Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1C 914878639 NJCWECXNRVAHOH-HUUCEWRRSA-N 423.491 -0.135 50 20 HBGD Cn1cc(S(=O)(=O)N2CCC(NC(=O)NNC(=O)CC(F)(F)F)CC2)cn1 1116125788 VQWUPJIJRURFKC-UHFFFAOYSA-N 412.394 -0.144 50 20 HBGD CN(C)c1ncc(CNC(=O)NNC(=O)c2csc(N3CCOCC3)n2)n1C 1319043751 FUDOUWZQIFKEBB-UHFFFAOYSA-N 408.488 -0.077 50 20 HBGD O=C(c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O)N1CC[C@H](B(O)O)C1 1330263011 YHQBNSUKXYDZQU-QWHCGFSZSA-N 408.241 -0.301 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)Cn3ccnc3)CCO2)C1 1779031256 PLQVECYXKNECBU-LJQANCHMSA-N 413.438 -0.975 50 20 HBGD CC[C@H](C)[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1784545921 RMGRQHGGBLMEQP-LEYVVWKUSA-N 418.299 -0.633 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCNC3=N)[C@H]2C1 1786845202 VVSZHNSBMMAJLG-FQUUOJAGSA-N 401.895 -0.940 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C34CC(F)(C3)C4)C[C@@H]21)c1cccc(B(O)O)c1 1786983383 OIVLEMAUWGKUJQ-ZZMFMQDLSA-N 416.258 -0.148 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3nc(N)n[nH]3)[C@H]2C1 1788507125 XYRFHRCHEKZFEB-RVMXOQNASA-N 414.894 -0.447 50 20 HBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc[nH]3)C[C@@H]21 1788611048 HKYAYYQNBJLCNX-NUTKFTJISA-N 412.450 -0.080 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@](C)(O)CC(=O)O)[C@H]2C1 1791287118 IPCAKTFGBHEAHW-PLGIXQIDSA-N 420.890 -0.164 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3cnc[nH]3)C[C@@H]21 1791292940 BYMNURAGEKVROJ-FNTIZSMSSA-N 418.498 -0.224 50 20 HBGD O=C(/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2)NC1CC1 1798295738 MWFLDYIOTPXVMX-JCNVWAKMSA-N 411.267 -0.547 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1[nH]cc2c1CCC2 1798443918 ZMTIIASUIOTGLF-HGKCTWBKSA-N 423.278 -0.300 50 20 HBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(O)nn1 1800180696 KWSKTNHMOXKINU-IFOZYUSPSA-N 412.874 -0.042 50 20 HBGD CN[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)Br)C(=O)O 1800757060 UCXABRTYAZYRMX-JPYZYGQNSA-N 406.277 -0.578 50 20 HBGD CC(=O)NCCC(=O)N[C@@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826089389 BRKSXFBBMIEUPS-GFCCVEGCSA-N 424.527 -0.046 50 20 HBGD Cc1c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cnn1C 1830724019 CDGHJQXJDFDOGH-RHSMWYFYSA-N 400.863 -0.602 50 20 HBGD COCC(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834475778 FDQHSZYHNDXTBN-UHFFFAOYSA-N 403.288 -0.802 50 20 HBGD CNCCCC(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1834713967 DLHUKWLDDABXJL-UHFFFAOYSA-N 424.590 -0.069 50 20 HBGD CC(C)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1834795804 PCDSLRKMOVMUOJ-FQEVSTJZSA-N 404.272 -0.518 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cnnn3)CCO2)C1 1836149097 WQOCKUQKSOHHHB-HUUCEWRRSA-N 421.285 -0.634 50 20 HBGD CC[S@](=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](Cl)COC)C2)C1 1837247316 XCZOBQNAOXKVHE-OSCZSYKUSA-N 424.947 -0.145 50 20 HBGD C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCC(=O)NN(C)C)CCO2 1840186013 WERJEDKSHBUCNL-HXUWFJFHSA-N 408.499 -0.381 50 20 HBGD Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NNC(=O)c2cnn(C)c2)C1 735472972 HZOLTGYZRFFYNE-GFCCVEGCSA-N 409.472 -0.378 50 20 HBGD C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 736385949 CZXXOATYKNXFIU-STQMWFEESA-N 410.500 -0.059 50 20 HBGD Cc1c(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)nnn1C 741510633 PMFWLRAXDYPXJP-UHFFFAOYSA-N 408.440 -0.781 50 20 HBGD O=C(CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)c1ccc2c(c1)OCO2 742472005 JGVJFPFWENGPMQ-BHTHQVBYSA-N 401.375 -0.271 50 20 HBGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NNC(=O)CNc1ccccc1 743293210 LVFFBRTZRUIBQB-GFCCVEGCSA-N 408.484 -0.037 50 20 HBGD O=C(CCn1cc[nH]c(=O)c1=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 744620637 MCTAMXOVHJMOBB-UHFFFAOYSA-N 423.451 -0.909 50 20 HBGD CCN(C)S(=O)(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 746054120 NAXZRQGBJLHTHT-UHFFFAOYSA-N 406.486 -0.862 50 20 HBGD C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NNC(=O)CNC(=O)c1ccco1 756932138 WQAVVCYQYDACOQ-GFCCVEGCSA-N 412.410 -0.377 50 20 HBGD COCC(=O)N(C)CC(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 759229126 KCFCLNQRKWLYBY-UHFFFAOYSA-N 400.457 -0.745 50 20 HBGD Cc1cc(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc(C(=O)O)c1C 760343838 HZXIQTFWONKSPJ-JTQLQIEISA-N 405.454 -0.319 50 20 HBGD Cc1ccc(F)c2c1C(=NNC(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)C(=O)N2 764812515 MIXWHUJRXNKYIK-UHFFFAOYSA-N 413.369 -0.646 50 20 HBGD O=C(CN1C(=O)NC2(CCCC2)C1=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772195997 VWVIQHWEPCJMDS-UHFFFAOYSA-N 421.841 -0.032 50 20 HBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 785657454 GNHAIPQWBKAPKD-CABCVRRESA-N 412.487 -0.708 50 20 HBGD Cc1cccc(C(=O)NNC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)n1 794075886 RHDNCZHMFNRWKV-UHFFFAOYSA-N 419.463 -0.051 50 20 HBGD CC(C)C(=O)N[C@@H](CO)C(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 813468582 YUXXEULTHIXOPG-AWEZNQCLSA-N 414.484 -0.716 50 20 HBGD COCCN1C(=O)/C(=C\NNC(=O)Cc2nc3ccccc3n2C)C(=O)NC1=S 920978774 QUFIZTOKQVQNRS-KHPPLWFESA-N 416.463 -0.490 50 20 HBGD CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NNC(=O)Cn2ncn3nccc3c2=O)C1 1347691934 WCOSVEBQHYPJKY-GFCCVEGCSA-N 419.442 -0.315 50 20 HBGD C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1)n1cccn1 1783938477 ZJZFJZVFHNWWMO-DNVCBOLYSA-N 406.487 -0.353 50 20 HBGD NC(=O)[C@@H](N)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1786891553 ZFJXEFAGLLWKCD-XGZQDADWSA-N 423.283 -0.751 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=COCCC3)C[C@@H]21)c1cccc(B(O)O)c1 1786986486 GIPNLASKVCUGMH-SNRMKQJTSA-N 414.267 -0.346 50 20 HBGD Cc1nocc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797749831 XVEDEPBZPYMUAB-DRXBFXEBSA-N 414.422 -0.501 50 20 HBGD COC[C@@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)Br)C2 1797971854 USONMMAEQQDXOS-RORMEEMCSA-N 420.304 -0.490 50 20 HBGD COc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)nn1 1799055796 RQSBSLUXSKGMIH-MUJYYYPQSA-N 410.239 -0.269 50 20 HBGD CN1CCN(C2(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@H](F)Cl)C4)CC2)CC1 1799191379 ZQALSNDZIPVDIK-XGUBFFRZSA-N 402.898 -0.110 50 20 HBGD CC(=O)N/C(C)=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830736010 PMGUROUSJNTPSV-QMFLQCCBSA-N 403.863 -0.918 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)C1CCC1)CCO2 1834633232 JPZYDKGSDHQJTH-FQEVSTJZSA-N 402.256 -0.764 50 20 HBGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1839861461 ZNMWEUVRRYQFRS-LRDDRELGSA-N 420.304 -0.261 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 729276195 YUTMQQLBQIWLOJ-LLVKDONJSA-N 413.456 -0.104 50 20 HBGD Cn1c(C=NNC(=O)NCCNC(=O)OC(C)(C)C)nc2c1c(O)nc(=O)n2C 734302711 LAXNJRFNDIPHLL-UHFFFAOYSA-N 408.419 -0.470 50 20 HBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc2c(c1)S(=O)(=O)N(CC)C2=O 740852659 HGTCWLICNSKGJJ-UHFFFAOYSA-N 410.452 -0.083 50 20 HBGD Cc1c(CNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)cnn1C 759607161 ACXJSNKLQLTGOJ-UHFFFAOYSA-N 422.515 -0.114 50 20 HBGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NC[C@H]2CC[C@H](C(N)=O)O2)nc1 760202990 HDSKBRQRNZUSPO-ZYHUDNBSSA-N 400.461 -0.573 50 20 HBGD Cc1cccc(OCC(=O)NNC(=O)C(=O)Nc2cnn(CC(=O)N(C)C)c2)c1 763624200 TZJHSZODKCBKGP-UHFFFAOYSA-N 402.411 -0.555 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c(Br)n1 764228585 YUQLCXZCTRNNBV-ZETCQYMHSA-N 422.261 -0.824 50 20 HBGD CC(C)Cc1nc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cs1 765722239 UVBVYTJKDHZLFR-UHFFFAOYSA-N 419.467 -0.450 50 20 HBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)Cn1cc([N+](=O)[O-])cn1 766635536 AKYPMWBRXXBANM-UHFFFAOYSA-N 415.410 -0.603 50 20 HBGD CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NNC(=O)C(=O)N1CCCC1 768368118 WQXXKOXGCSKIAG-ZDUSSCGKSA-N 413.475 -0.578 50 20 HBGD COC(=O)C1(c2ccc(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc2)CC1 776278525 UDMIAKQYLABJNO-SNVBAGLBSA-N 419.481 -0.862 50 20 HBGD COCCO[C@H]1COCC[C@@H]1NC(=O)NNC(=O)CNC(=O)c1cccs1 776868581 RTNXXMANMYLBLF-RYUDHWBXSA-N 400.457 -0.371 50 20 HBGD CCOC(=O)c1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)cc1 784002183 LXFUJNDGORHBPQ-UHFFFAOYSA-N 402.363 -0.028 50 20 HBGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)Cn1cc([N+](=O)[O-])ccc1=O 794062102 UGYMPTVXFDQXDR-UHFFFAOYSA-N 403.351 -0.170 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc(C#N)ccc2Cl)n(C)c1=O 802763340 UBAUDOJIWRQILO-UHFFFAOYSA-N 415.797 -0.580 50 20 HBGD COc1ccc2c(c1OC)OCC2=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O 814785511 UTJQHKONVFBHPS-UHFFFAOYSA-N 421.435 -0.499 50 20 HBGD N#Cc1c[nH]c(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1 1780333026 OSZVYBBXASUADT-FQEVSTJZSA-N 408.223 -0.677 50 20 HBGD CCNC(=S)NCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2 1781470705 SZEOTZGFJQNZPI-OGHNNQOOSA-N 420.963 -0.416 50 20 HBGD Cn1nccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1786077670 BPFVQXXDJPUJMB-ZVZYQTTQSA-N 412.255 -0.993 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)[C@H]1CC1(F)F 1788129188 IKMYAMUIVBFGBG-HNKHHVNMSA-N 408.210 -0.385 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)O)[C@H]2C1 1791050977 IIILNGORBMXMMN-VMWQECKWSA-N 405.455 -0.519 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=CCCS1 1793413071 ZNHFJPOHBGYDIB-DRXBFXEBSA-N 417.491 -0.091 50 20 HBGD O=C([C@@H](O)CCl)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(F)(F)C(F)(F)C(=O)O 1793728464 RGQIVQXQVFSKDW-KZVJFYERSA-N 420.743 -0.469 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)CNC1=O 1793763885 MAZIWCWSBKBBCF-HMVGFALLSA-N 421.281 -0.636 50 20 HBGD Cc1cncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)c1 1794812675 YOKAHPJJPNEOOT-HGKCTWBKSA-N 403.483 -0.034 50 20 HBGD CC[C@H](C)[C@H](N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1795547743 GDGIDVGNRGCSGJ-PMUIAIRXSA-N 418.498 -0.738 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2)[C@@H](O)N1CCOCC1 1797804091 ZCVUSVDBGKUCQS-FAXLKDOZSA-N 420.304 -0.988 50 20 HBGD CN(C)C(=O)C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807370571 GZGRGVLDIZOXMV-FUHWJXTLSA-N 424.266 -0.831 50 20 HBGD O=C(N[C@@H]1CCc2nc(NC(=O)[C@H]3C[C@@H](O)C3)sc2C1)c1ccc(B(O)O)cc1 1818658298 HUYSQSZDCZIDSD-BNOWGMLFSA-N 415.280 -0.180 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccco1)CCO2 1833928868 CLIXGGRRYMCYTE-IBGZPJMESA-N 408.455 -0.277 50 20 HBGD CCn1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cc1C 1838146639 WOAFWKQSRHSIDP-MAUKXSAKSA-N 414.890 -0.119 50 20 HBGD C[C@@H](Br)C(=O)N1CC2(CCCN2C(=O)CN2CCS(=O)(=O)CC2)C1 1841895018 QZPPCOGQWXHNAG-GFCCVEGCSA-N 422.345 -0.296 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)CN2CCNC2=N)C1 1842909214 YPFZNVYOYDOJCN-YDZHTSKRSA-N 414.470 -0.836 50 20 HBGD CCCC(=O)N[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014334 YHEQLVCVTYOSLN-AWEZNQCLSA-N 401.272 -0.512 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)CS(=O)(=O)N1CCCC1)C2 1846362050 GKYCATIOUPQHHY-CYBMUJFWSA-N 407.920 -0.131 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)n(C)c1=O 5695819 TYKHURRTEJRYHO-UHFFFAOYSA-N 414.466 -0.203 50 20 HBGD CN1C(=O)Cc2cc(S(=O)(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)ccc21 21866355 PXLNXTUBAKZYMI-UHFFFAOYSA-N 413.419 -0.196 50 20 HBGD Cn1cccc1C(=O)NNC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 726541041 QKKSTKVILKWWGR-UHFFFAOYSA-N 407.452 -0.416 50 20 HBGD CC(C)NS(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 729275519 PCBSIAWATRHIRA-SNVBAGLBSA-N 406.486 -0.928 50 20 HBGD CC1CCC(N2C[C@@H](C(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2=O)CC1 731343553 XDSYNMPRFYNLTR-YIFLHPOLSA-N 400.501 -0.069 50 20 HBGD C[C@@H](C(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1)N1C(=O)CCC1=O 744620348 BEZSMPQWYIVPMM-LBPRGKRZSA-N 410.452 -0.312 50 20 HBGD C[C@H](CS(C)(=O)=O)C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 746892126 NCOBOWXDMGHEEJ-GFCCVEGCSA-N 419.529 -0.859 50 20 HBGD CCS(=O)(=O)c1ccc(CCC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1 758038423 FEUNUIUCZUAPLA-NSHDSACASA-N 405.498 -0.502 50 20 HBGD CC[C@H](C)Oc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1 764228568 YFZWXBXBYJAPGR-WDEREUQCSA-N 400.457 -0.113 50 20 HBGD O=C(COC[C@@H]1CCCO1)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766644257 TVMBBHLPMWTCHW-KRWDZBQOSA-N 404.467 -0.213 50 20 HBGD Cc1nn(CCCl)c(C)c1C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 787345530 OUECMCDRZGEIDR-UHFFFAOYSA-N 409.878 -0.159 50 20 HBGD Cc1nn(C)cc1S(=O)(=O)N1CCN(S(=O)(=O)CBr)CC1 805061591 RYUGZVUCSBXEMK-UHFFFAOYSA-N 401.308 -0.283 50 20 HBGD Cn1c(=O)ccn(CC(=O)NNC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1=O 816509752 BANFBQSIIZPDTG-GFCCVEGCSA-N 409.443 -0.659 50 20 HBGD CN(CC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O)[C@@H]1CCS(=O)(=O)C1 914531887 LYQYAYXQSQBBFA-CYBMUJFWSA-N 407.452 -0.542 50 20 HBGD Cn1c(=O)c2cc(C(=O)NNC(=O)[C@H]3COc4ccccc4O3)n(C)c2n(C)c1=O 919690176 LOBDUECEZKXUHM-CQSZACIVSA-N 413.390 -0.823 50 20 HBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(N2CCCS2(=O)=O)cc1 1115819336 WBTMYYTVRNYXGP-LBPRGKRZSA-N 401.466 -0.578 50 20 HBGD C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784085399 ISAISFQMAXOOBM-PEDHHIEDSA-N 410.920 -0.754 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)COC(=O)C(F)(F)F)C[C@@H]21)[C@@H](O)CCl 1784091822 DFYTXAHMSYKXLP-NAKRPEOUSA-N 416.780 -0.329 50 20 HBGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CNC(=O)C3)[C@H]2C1 1790862549 DBSWBTYMRSDKQB-MOLYVOAJSA-N 402.289 -0.114 50 20 HBGD CCn1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)cc1C 1801011798 FTEGBUOARYSCLG-CCWDJLKJSA-N 420.514 -0.212 50 20 HBGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CC(=O)NC)CCO2)C1 1831279201 GHMRGZLWUQARCD-BLLLJJGKSA-N 420.304 -0.248 50 20 HBGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@H]3NC(=O)NC3=O)CCO2)C1 1832697575 OTPHHBUHGFRQDS-XWCIJXRUSA-N 416.862 -0.942 50 20 HBGD CCn1nccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1834410859 AQRFMIIZRCNNBW-YOEHRIQHSA-N 400.863 -0.427 50 20 HBGD O=C(C1=CCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1834678710 SAOWWKMJHHUALP-NRFANRHFSA-N 414.267 -0.453 50 20 HBGD CO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798814 BCOQCDXWTWCZMT-HNNXBMFYSA-N 417.315 -0.414 50 20 HBGD CNC(=O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839199723 ZXFYRVYNBHPROD-TZMCWYRMSA-N 410.240 -0.731 50 20 HBGD C=CC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C(Cl)Cl)CCO2)C1 1840188357 FYCFTWKOLJZGQT-MEDUHNTESA-N 408.282 -0.063 50 20 HBGD N[C@@H](Cc1cscn1)C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013822 RJHCHALXYJQDHO-INIZCTEOSA-N 414.296 -0.790 50 20 HBGD Cn1c(=O)c2c(ncn2CCC(=O)NNC(=O)NCCc2cccs2)n(C)c1=O 139488741 BZYCWDHECLRJLT-UHFFFAOYSA-N 419.467 -0.542 50 20 HBGD COC(=O)c1ccc(O)c(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)c1 726737051 FWUYSBZIGVSNOR-UHFFFAOYSA-N 407.408 -0.786 50 20 HBGD C[C@@H](C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)N1C(=O)CCC1=O 728327438 LBJWQMATTGQHEX-GWCFXTLKSA-N 405.363 -0.946 50 20 HBGD CC(C)c1nnnn1CC(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 747030208 LVJDVLSAXLCCLV-ZDUSSCGKSA-N 404.383 -0.673 50 20 HBGD COc1ccccc1SCC(=O)NNC(=O)CNS(=O)(=O)c1cn(C)cn1 762410442 WIXFBKVDDLQWAP-UHFFFAOYSA-N 413.481 -0.353 50 20 HBGD CS(=O)(=O)N1CCc2cc(C(=O)NNC(=O)CNC(=O)c3cccnc3)ccc21 763823678 DTOAOPJCGWSJAL-UHFFFAOYSA-N 417.447 -0.405 50 20 HBGD COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)C(=O)NNC(=O)CN(C)C)c1 764203089 GCDKZKBLIXWHNK-UHFFFAOYSA-N 402.411 -0.385 50 20 HBGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)ccc1-n1nnnc1C(C)C 764425279 OJCHFCYRIJMCTI-AWEZNQCLSA-N 417.426 -0.405 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc(-n3cccc3)cc2)n(C)c1=O 765729221 VMIMGBPYBHILFY-UHFFFAOYSA-N 421.417 -0.314 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@H]3CCN(C)C3)CC2)cc1 766636681 RJJOBHMICMQGDF-INIZCTEOSA-N 423.539 -0.600 50 20 HBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccccc1C#N 771975489 MOMQYJGNHDUNSL-GFCCVEGCSA-N 410.452 -0.038 50 20 HBGD COCCO[C@H]1C[C@@H](CO)CN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1 773958125 CCFMVKQFVRQFGS-CJNGLKHVSA-N 410.427 -0.298 50 20 HBGD CC(C)(C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1)S(C)(=O)=O 785983621 HOIFKSIXXCTWEA-GFCCVEGCSA-N 400.409 -0.660 50 20 HBGD Cn1cnc2c1c(=O)n(CC(=O)NNc1nnc(-c3ccccn3)s1)c(=O)n2C 788556091 FGIKOJBQZZDHSR-UHFFFAOYSA-N 413.423 -0.510 50 20 HBGD CC[C@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)OC 790104161 PNMZHJAPEUHLLT-CQSZACIVSA-N 413.452 -0.332 50 20 HBGD CC(=O)N[C@@](C)(C(=O)NNC(=O)c1cc(C)[nH]n1)c1ccc(S(C)(=O)=O)cc1 797749093 VYOWFGKCWJBDSS-QGZVFWFLSA-N 407.452 -0.066 50 20 HBGD COc1cc(NC(=O)NNC(=O)CNC(=O)CNC(C)=O)c(OC)cc1Cl 802079258 GKBHBBNEFPXKIG-UHFFFAOYSA-N 401.807 -0.238 50 20 HBGD COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NNc3nccc(OC)n3)c2)nn1 812980820 AWHWJFMNBDKYLY-UHFFFAOYSA-N 412.366 -0.066 50 20 HBGD Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1 914830270 JZVMAJMZVNWAKT-KGLIPLIRSA-N 409.464 -0.443 50 20 HBGD O=C(COC(=O)CCNS(=O)(=O)c1cccnc1)NNC(=O)c1ccccc1 914907278 RWAKOLPRNMEPSO-UHFFFAOYSA-N 406.420 -0.246 50 20 HBGD CC(C)(C)NS(=O)(=O)CCNC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 916622550 ZGNSXUSYNMBFGY-ZDUSSCGKSA-N 400.457 -0.125 50 20 HBGD O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1)N[C@H]1CCS(=O)(=O)C1 919885963 OIKLWACXBPKJIF-KOLCDFICSA-N 416.406 -0.165 50 20 HBGD COc1ccccc1N1C[C@@H](C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)CC1=O 919890069 ZKEIQYUCXAKZJP-RYUDHWBXSA-N 410.452 -0.434 50 20 HBGD COC(=O)N(C)NC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 1257624590 ADKXTMQUPCOADG-GFCCVEGCSA-N 407.470 -0.502 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3ccc(O)cc3)C2)C1 1780741457 PCNUUFJQXSBEMC-OAQYLSRUSA-N 410.235 -0.171 50 20 HBGD O=C1CC[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]3C2)N1 1789922030 AFAHZVJHJOHNFP-CCJOIDDDSA-N 406.252 -0.065 50 20 HBGD O=C1Nc2c(cccc2C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)C1=O 1792980870 ANGRCIQGHFHQLO-DJBIQUGXSA-N 421.837 -0.376 50 20 HBGD CCC[C@H](NC(C)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796192885 VZJIJGWVFIKEHJ-RDGPPVDQSA-N 415.299 -0.077 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCN1CCOC1=O)c1cccc(B(O)O)c1 1797743042 DDOXOZMECXKAOC-BJWYYQGGSA-N 415.255 -0.540 50 20 HBGD N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)CCC1 1797754225 OBSSHOSIRVUWIJ-YWVIFJGQSA-N 412.450 -0.418 50 20 HBGD C[C@H](CN)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807012715 YDLUSEHTUSFTGC-DKSSEZFCSA-N 410.283 -0.324 50 20 HBGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CNC(=O)C2)[nH]n1 1822416835 QPYANQCIASYAMD-TZMCWYRMSA-N 419.486 -0.089 50 20 HBGD COCc1oncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830727931 KVCLGEFPZUUMIN-DYVFJYSZSA-N 417.846 -0.509 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@@H]1F)CCO2 1832131102 WNVSKPOBKOKWFZ-QWQRMKEZSA-N 400.451 -0.826 50 20 HBGD CCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839853059 VJLZRHWCQBVVGF-NRFANRHFSA-N 418.299 -0.127 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]n3)C2)C1 1840032202 QVROHTKDIPRGQL-IINYFYTJSA-N 402.249 -0.342 50 20 HBGD Cc1[nH]nc(C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)c1F 1842288310 BFUTYOFCDZPQCF-UHFFFAOYSA-N 401.402 -0.013 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2[nH]nc3ncccc23)C1 1843282835 HECYJAARXULSLD-UHFFFAOYSA-N 405.223 -0.232 50 20 HBGD CCn1nc(C(=O)NNC(=O)Cn2nnc3ccccc3c2=O)c2ccccc2c1=O 15720876 UNHFOYGUAFMEHP-UHFFFAOYSA-N 419.401 -0.018 50 20 HBGD O=C(COc1ccc(F)cc1)NNC(=O)N[C@H]1CCN(CCN2CCOCC2)C1 734686486 PGKPGLYXOFLTRO-INIZCTEOSA-N 409.462 -0.059 50 20 HBGD Cc1cc(C)n(CC(=O)NNC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 737767495 CRSMEQXOUMYTIV-UHFFFAOYSA-N 424.439 -0.124 50 20 HBGD CCS(=O)(=O)N1CCC(C(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)CC1 744591731 VWNXVDUXLYKPDD-UHFFFAOYSA-N 422.463 -0.076 50 20 HBGD COC(=O)c1coc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1 753949491 MKWWPHWBTUAKSM-UHFFFAOYSA-N 416.437 -0.017 50 20 HBGD Cc1cc(C)n(CC(=O)NNC(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)n1 756101612 ZCOMFOAOYPSOKJ-SDADXPQNSA-N 400.439 -0.363 50 20 HBGD Cc1cc(N2C[C@H](C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)CC2=O)ccc1F 758043330 GVLKPWSOZMQQEJ-WDEREUQCSA-N 400.432 -0.428 50 20 HBGD COc1ccc(Cn2nccc2NC(=O)C(=O)NNC(=O)CN(C)C)c(OC)c1 764203573 ISTIFPBVNWLJML-UHFFFAOYSA-N 404.427 -0.404 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(Cl)cc2cccnc12 764233301 USJXZYKTEJCZKU-MRVPVSSYSA-N 413.843 -0.088 50 20 HBGD CCCCNS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)Cc2cc[nH]n2)c1 764292486 BXGSTUPTEFWSAI-UHFFFAOYSA-N 422.467 -0.183 50 20 HBGD CN1CCN(Cc2cccc(NC(=O)C(=O)NNC(=O)C(=O)N3CCCC3)c2)CC1 783999120 KDGGLUHHIMDYGO-UHFFFAOYSA-N 416.482 -0.858 50 20 HBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNS(=O)(=O)C[C@H]1CCCOC1 795334736 KWEANVBWVCUPIM-INIZCTEOSA-N 424.523 -0.178 50 20 HBGD COc1ccc(NC(=O)NNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1 802055951 XTBZNIQEKFISFU-DGCLKSJQSA-N 410.452 -0.117 50 20 HBGD Cc1csc(CC(=O)NNC(=O)CN2CCN(C(=O)c3ccccn3)CC2)n1 913554270 OAXVVCOZTLIMKF-UHFFFAOYSA-N 402.480 -0.006 50 20 HBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)N[C@H](C)CS(C)(=O)=O 1116064085 PRTYFNARPYZQMO-SECBINFHSA-N 405.502 -0.335 50 20 HBGD CNS(=O)(=O)N1CCC(C(=O)NNC(=S)Nc2ccc(OC)nc2)CC1 1329900867 LHCUVZCDNNCCEK-UHFFFAOYSA-N 402.502 -0.416 50 20 HBGD Cc1nn2cc(S(=O)(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)cnc2c1Cl 1336598006 BVIVKPXWTLMHHF-QMMMGPOBSA-N 407.861 -0.565 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3cnc[nH]3)C[C@@H]21)c1cccc(B(O)O)c1 1786986520 KSVVNJOYJABGFD-COHABUEWSA-N 424.266 -0.604 50 20 HBGD CCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)cn1 1794595194 JPQJHTMZAATMHS-XEMDLRDOSA-N 423.278 -0.159 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@@]1(F)Cl)C2)c1ccc(B(O)O)cc1 1795737009 TXDABSDZEWKBIM-BXPDPKNNSA-N 410.638 -0.506 50 20 HBGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H](NC)C(=O)O)C2 1800638891 CMDGBSWPROBADU-GHMOJZLGSA-N 420.304 -0.188 50 20 HBGD C[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2)n1cnnn1 1803085825 ATORXXBHEGWTFR-FVCCEPFGSA-N 413.442 -0.815 50 20 HBGD O=C(NC[C@H]1CCN(C(=O)c2nc[nH]n2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807371217 RESMOVGZQOTSAX-NVXWUHKLSA-N 420.238 -0.487 50 20 HBGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1ncon1 1811179049 OEBKNDHXHLKXJD-WBVHZDCISA-N 421.222 -0.222 50 20 HBGD O=C1NC(=O)[C@H](CC(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H](O)CCl)CC2)N1 1824178854 LTUXYRPPMQQSMC-IHRRRGAJSA-N 414.890 -0.196 50 20 HBGD O=C(NC1CCN(C2CCN(C(=O)CN3CCOCC3)CC2)CC1)[C@H](O)CCl 1833309453 WCBBACBZASUJMX-QGZVFWFLSA-N 416.950 -0.510 50 20 HBGD O=C1C[C@H](C(=O)N2CCC(N3CCC(NC(=O)[C@H](O)CCl)CC3)CC2)CN1 1833312230 LUCRDAADWOEPLK-SWLSCSKDSA-N 400.907 -0.706 50 20 HBGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1835638106 ZPBZBZWRNFDFHS-GUYCJALGSA-N 401.895 -0.700 50 20 HBGD C=CC(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1835826548 MMTQDBKLRPLAEG-XJKSGUPXSA-N 414.934 -0.152 50 20 HBGD COC(OC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Br)CCO2 1840030316 IHHKHPDVPPWNJS-XHDPSFHLSA-N 409.277 -0.155 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(C)noc3N)C2)C1 1840152030 URIKGKWAGYEDCG-YVEFUNNKSA-N 416.862 -0.111 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCSC)CCO2 1840200957 XWKSSTOVXUVSFX-JJRVBVJISA-N 424.947 -0.189 50 20 HBGD CCOC(CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1)OCC 1840280229 ZZIRDTVWPXCXFO-KBXCAEBGSA-N 422.906 -0.168 50 20 HBGD CC(=O)NCC(C)(C)C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1841681844 YLCPOLFIDWKIAZ-UHFFFAOYSA-N 416.482 -0.336 50 20 HBGD CN[C@H](CC(=O)N1CC2(CCCN2C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C1)C(=O)O 1843415865 WEJFGCXPUQEHIX-LVCXCXRVSA-N 418.454 -0.614 50 20 HBGD Cc1cc(C(=O)NCC(=O)N2CC3(CCCN3C(=O)CCC(=O)NN(C)C)C2)no1 1846384936 BLQYUSUIBPQVTO-UHFFFAOYSA-N 420.470 -0.711 50 20 HBGD C[C@@H](CBr)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN(C)C(=O)C(=O)O 1847502620 RLMSUCSJUQILDY-DCAQKATOSA-N 404.261 -0.238 50 20 HBGD COc1cc(Cl)ccc1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 24628154 DSVOMAMFLNBDIK-UHFFFAOYSA-N 420.813 -0.443 50 20 HBGD Cc1cc(C)cc(OCC(=O)NNC(=O)CNS(=O)(=O)c2cn(C)c(C)n2)c1 726765700 YDFQFVQLACTYGJ-UHFFFAOYSA-N 409.468 -0.150 50 20 HBGD O=C(COc1ccccc1F)NNC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 734686983 ZYEQMXHLZUHAMN-OAHLLOKOSA-N 409.462 -0.059 50 20 HBGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1 742535418 RSDTWYYWJUEITJ-UXOAXIEHSA-N 421.431 -0.987 50 20 HBGD C[C@@H](CC(=O)NNC(=O)C(=O)N1CCCC1)/N=C1/NS(=O)(=O)c2ccccc21 742601277 ZDLPHRIHWRXGRO-NSHDSACASA-N 407.452 -0.727 50 20 HBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cn1C 745977016 OAALUQSDHVMPAU-UHFFFAOYSA-N 405.396 -0.589 50 20 HBGD NS(=O)(=O)c1ccc(NC(=O)NNC(=S)NCCCN2CCOCC2)cc1 754361470 HQSVQASNRKEIDU-UHFFFAOYSA-N 416.529 -0.443 50 20 HBGD CNS(=O)(=O)c1cc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)ccc1C 755515161 KIUSWPJKKNBSRA-SNVBAGLBSA-N 404.470 -0.509 50 20 HBGD CC[C@@H](N=c1nn[nH]n1-c1ccccc1)C(=O)NNC(=O)CNC(=O)c1cccnc1 764343164 MCBLNSJHKLIOGS-OAHLLOKOSA-N 423.437 -0.753 50 20 HBGD O=C(CNC(=O)c1ccco1)NNS(=O)(=O)c1cc2c3c(c1)CC(=O)N3CCC2 764935669 QKFNSLNLCYVPAA-UHFFFAOYSA-N 418.431 -0.146 50 20 HBGD Cc1cc(Br)cc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 777144671 XRYHJVAJDXKIFO-QMMMGPOBSA-N 421.273 -0.219 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(F)c(N2CCOC2=O)c1 797659756 OCVAQKATUIOROM-MRVPVSSYSA-N 403.392 -0.127 50 20 HBGD Cn1c(N)c(C=NNC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(=O)n(C)c1=O 814973815 KGRUOXQGYVVCEK-LLVKDONJSA-N 408.459 -0.237 50 20 HBGD CC[C@@H](N=c1nn[nH]n1-c1ccccc1)C(=O)NNC(=O)[C@H]1CCc2nncn2C1 816879768 VPOVCKRFYGYVLP-GXTWGEPZSA-N 410.442 -0.724 50 20 HBGD COCCN1C[C@H](C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)CC1=O 914459397 DZECJSXOGMTADH-QGZVFWFLSA-N 417.510 -0.159 50 20 HBGD C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919885169 KPJQTZWDIOVLTE-SKDRFNHKSA-N 402.860 -0.024 50 20 HBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2)c1cc(CO)on1 1780217145 FNKJHMYROSDNON-CKEIUWERSA-N 401.847 -0.106 50 20 HBGD CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1781400342 KTWRSHIRCSJZNU-FOIQADDNSA-N 417.271 -0.389 50 20 HBGD C[C@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1782181273 CFMZYLGSIHYAOC-URKNILKWSA-N 406.313 -0.188 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1ccnc1)C2 1782210900 XUGGQQCEXUPMLR-OXQOHEQNSA-N 420.514 -0.230 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ncc(Cl)cn1)CCO2 1783936418 NLGVTUKDEZCMOG-SFHVURJKSA-N 424.889 -0.054 50 20 HBGD O=C(CCc1ncc[nH]1)N1CC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1784268702 ZPUZGOVRPKUDRK-HXUWFJFHSA-N 412.255 -0.834 50 20 HBGD Cc1ncncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984212 QPNMPJHKKTXSJU-SNRMKQJTSA-N 424.266 -0.628 50 20 HBGD O=C1C[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]3C2)CN1 1789924782 DMINKLYDNNOOPM-CCJOIDDDSA-N 406.252 -0.207 50 20 HBGD O=C(NCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl)c1ccccc1 1792983645 SNZKPSMZHHCKJM-DFGXFYAUSA-N 423.897 -0.004 50 20 HBGD CCC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)CNC1=O 1793760177 KQQQLHBFZMDSTC-OXIQGZBJSA-N 400.863 -0.465 50 20 HBGD COC[C@@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)Br 1800759644 YZHOEBNPPCCYBV-RGCYKPLRSA-N 420.304 -0.490 50 20 HBGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@](C)(O)CC(=O)O)C2 1800980491 BEMDJIZFYSXZAB-MDVSLZIOSA-N 406.863 -0.554 50 20 HBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)C(F)F 1834452109 NFBRNCPYSWLXCT-UHFFFAOYSA-N 409.242 -0.183 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCC(=O)NC1 1847323550 YQQFHOUPOCXOPA-CQDKDKBSSA-N 400.439 -0.973 50 20 HBGD C[C@@H](C(=O)NNC(=O)COc1ccc(C#N)cc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 746094946 VXEOABXTGXYDHT-VIZYAEIXSA-N 412.402 -0.365 50 20 HBGD Cc1c(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)nnn1-c1cccc2cccnc12 758043301 GONKTXTVVFYJTB-SNVBAGLBSA-N 417.451 -0.177 50 20 HBGD CC(C)S(=O)(=O)c1ccc(CC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1 758048794 WKUJLGVJCMBKSS-NSHDSACASA-N 405.498 -0.504 50 20 HBGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 760440512 ZIEWLMQQIZSMOW-FKGLVLAHSA-N 424.454 -0.399 50 20 HBGD CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(F)cc2)n1 763842099 BEWKTFSTKCGODS-UHFFFAOYSA-N 406.374 -0.725 50 20 HBGD Cc1nn(-c2ccccc2)c(C)c1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764231316 OKOUECQVDSPJBV-LLVKDONJSA-N 422.467 -0.487 50 20 HBGD COc1cc(SC)ccc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 773548289 XHIZRIBDDIZKFA-MRVPVSSYSA-N 404.470 -0.559 50 20 HBGD Cn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1cc3ccccc3cc1O)c(=O)n2C 792516359 KEQGQDHBOOTPBJ-UHFFFAOYSA-N 422.401 -0.246 50 20 HBGD CCN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)CBr)CC1 800107122 MVHYOVPIPXHWAW-UHFFFAOYSA-N 403.324 -0.233 50 20 HBGD CS(=O)(=O)NC1CC(NC(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])C1 802419421 AANPMSXEAHFDLP-UHFFFAOYSA-N 401.401 -0.616 50 20 HBGD CN(C)c1c(C=NNC(=O)CCCNC(=O)OC(C)(C)C)c(=O)n(C)c(=O)n1C 807982136 SWHBRDGJXRMBRB-UHFFFAOYSA-N 410.475 -0.095 50 20 HBGD Cn1c(=O)c2cc(C(=O)NNC(=O)c3nnc(O)c4ccccc34)n(C)c2n(C)c1=O 919692628 UVRDQVUWMQRBPH-UHFFFAOYSA-N 423.389 -0.701 50 20 HBGD O=C(Cc1ccc2ncnn2c1)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1780947545 QDLGKODTEKNNHK-KBXCAEBGSA-N 407.858 -0.299 50 20 HBGD CC(C)(C)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786979385 CIAJYTWNHHSIBJ-SZMVWBNQSA-N 417.315 -0.652 50 20 HBGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)n3cnnn3)[C@H]2C1 1791691658 ZFNACSGASMBDOL-BNDIWNMDSA-N 415.292 -0.003 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C12CC(F)(C1)C2 1793423961 DADOAIRVASYQBU-KYNXIJSSSA-N 402.231 -0.538 50 20 HBGD CCC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)N1CCOCC1)C2 1793449311 SYDYXTBXDCRZDW-YCCFLXJFSA-N 403.907 -0.366 50 20 HBGD CC(=O)NCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1793703951 BOFKPVXZFPSCQJ-BCDXTJNWSA-N 415.299 -0.220 50 20 HBGD Cc1cccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)n1 1795732770 HRIFVQWGKFDBNV-UPHUGPLXSA-N 423.278 -0.484 50 20 HBGD CC(C)N(C)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797753928 CLWVPFRRPYFMRC-ZSBFGKGUSA-N 418.498 -0.772 50 20 HBGD Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)nc1 1801009561 NQQYGJMFHFHGLC-CCWDJLKJSA-N 403.483 -0.034 50 20 HBGD O=C(c1cn2ncccc2n1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830728772 YBZXUQLJRWYWCD-RDTXWAMCSA-N 423.857 -0.601 50 20 HBGD CC(=O)NCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1831394321 FCXHMTRXZKPDMR-IBGZPJMESA-N 415.299 -0.264 50 20 HBGD O=C1CC[C@@H](C(=O)NC2CCN(C3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)CN1 1833118299 NNOATGAUUAXFAT-CJNGLKHVSA-N 414.934 -0.316 50 20 HBGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)n(C)n1 1834157696 FNXUYNWMTHVELQ-PBHICJAKSA-N 400.863 -0.602 50 20 HBGD CC(C)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1834795078 DKPDFCUJWPERGY-FQEVSTJZSA-N 404.272 -0.518 50 20 HBGD CC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1834874387 XNRIAUJMCINRCK-LJQANCHMSA-N 412.487 -0.815 50 20 HBGD CC(C)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935754 PLALXTLWIXXWFY-HXUWFJFHSA-N 404.272 -0.518 50 20 HBGD O=C(c1c[nH]c(=O)cn1)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836718217 LASSCXPUMUBDSX-HNNXBMFYSA-N 412.874 -0.018 50 20 HBGD O=C(c1ccc2ncnn2c1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837164651 LOEDQBCZUXJPAG-KDOFPFPSSA-N 423.857 -0.601 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](COC)NC(C)=O)C2)C1 1839145501 JVVOBXZZUOVFQA-RLFYNMQTSA-N 419.906 -0.389 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1C[C@@H]1F)CCO2 1839770445 XMVBRBCUAYRANY-ZUEVXXBESA-N 421.429 -0.887 50 20 HBGD CC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CBr)C2)C1 1839857476 UTJHYUPWXXJODA-WBMJQRKESA-N 420.304 -0.390 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C(\C)NC(C)=O)C2)C1 1840155233 TXSHVBVLVYZDBA-JMRBOTPCSA-N 417.890 -0.264 50 20 HBGD O=C(C#CC1(O)CCCCC1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011603 VJRDWGVJQVLENZ-UHFFFAOYSA-N 410.279 -0.118 50 20 HBGD O=C([C@@H]1CCc2nc[nH]c2C1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843015210 UCCOCUPFLJJHFQ-OAHLLOKOSA-N 408.267 -0.288 50 20 HBGD Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NNC(=O)C(=O)NC(C)C)C1 729304357 PYTKQJRULLAMFN-GFCCVEGCSA-N 414.488 -0.901 50 20 HBGD Cc1cc(OCC(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)no1 735117857 IEGWGQWOFOXDOM-UHFFFAOYSA-N 410.456 -0.164 50 20 HBGD NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)NNC(=O)NC3CCCC3)CC2=O)c1 746179149 XNUMOQLZPGOIJX-NSHDSACASA-N 409.468 -0.040 50 20 HBGD CC[C@H](NC(=O)NNC(=O)C1CCN(c2ncccn2)CC1)C(=O)N1CCOCC1 753047942 YVUTWAJJBJQGGW-HNNXBMFYSA-N 419.486 -0.339 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 755141039 ZUZJTFXVGKTRRQ-LWWSYDQCSA-N 415.406 -0.853 50 20 HBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2cc(C(N)=O)cn2C)CC1 755808832 GCTLLRPKPNXPCE-UHFFFAOYSA-N 421.483 -0.788 50 20 HBGD CC(=O)Nc1cncc(C(=O)NNC(=O)Nc2cnn(CC(=O)NC3CC3)c2)c1 756796564 RBDKONGXAAKXOG-UHFFFAOYSA-N 400.399 -0.018 50 20 HBGD Cn1cnc(S(=O)(=O)NCC(=O)NNC(=O)c2cc(-c3cccs3)[nH]n2)c1 763162262 AIJQYPJSLJDSAF-UHFFFAOYSA-N 409.453 -0.389 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3csnn3)CC2)cc1 766635524 AIDGNPLOSNRFQM-UHFFFAOYSA-N 424.508 -0.386 50 20 HBGD CN1C(=O)COc2cc(NC(=O)C(=O)NNC(=O)COc3ccccc3O)ccc21 799258529 CXWUMWHRPQOJLW-UHFFFAOYSA-N 414.374 -0.088 50 20 HBGD CN1CCN(C(=O)NNC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)CC1 807381031 ZXWJQAYGYBSGRW-UHFFFAOYSA-N 405.427 -0.379 50 20 HBGD C[C@]1(NNC(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)CCS(=O)(=O)C1 1116249259 KWTAESQQKCVWOF-NSHDSACASA-N 422.451 -0.319 50 20 HBGD CO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CCO2)C1 1783987242 LQZULCUTAHSKFR-GSKBCXBYSA-N 405.455 -0.015 50 20 HBGD CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784089500 DNRPIBJONUZPAS-XQLPTFJDSA-N 400.907 -0.152 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCCO4)C[C@@H]21)[C@H](O)CCl 1784092527 MKEDREZEBKYONE-VIRABCJISA-N 412.874 -0.141 50 20 HBGD O=C(Cn1nccn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1789972154 VKULPVNKUGYKQR-MRBYEJRBSA-N 404.240 -0.052 50 20 HBGD CCOC(=O)N[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CO[Si](C)(C)C 1797957011 XFSGLUSLWKVYCG-NEBZKDRISA-N 417.535 -0.508 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)C(=O)N(C)C)[C@H]1c1cccnc1 1806949378 WTCFUZVVEJIXSA-CRAIPNDOSA-N 418.498 -0.451 50 20 HBGD O=C1C[C@H](C(=O)N2CCC(N3CCC(NC(=O)[C@H](O)CCl)CC3)CC2)CCN1 1833313032 RCZKLBLOOATTDX-CZUORRHYSA-N 414.934 -0.316 50 20 HBGD C/C=C(\C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835931940 IBWAHVFVTDDRTR-NVGMFHGRSA-N 402.256 -0.597 50 20 HBGD C=CC[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835932068 MFNMQIMJZJCYKI-KKSFZXQISA-N 416.283 -0.351 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1839149041 RFNVQQSTJWPBIO-KDOFPFPSSA-N 418.922 -0.167 50 20 HBGD C[C@H](CC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1839199011 QDDCKDYLEPFHKB-IXPVHAAZSA-N 424.267 -0.355 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3csnn3)C2)C1 1840150165 GUJPNICDUAOMRO-NHYWBVRUSA-N 404.876 -0.138 50 20 HBGD CCOCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1840525016 NUZLLOAPAWYWHC-IBGZPJMESA-N 414.503 -0.758 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnnc(Cl)c1 1848271997 OWFQFPGTYRPOLE-GJZGRUSLSA-N 400.631 -0.061 50 20 HBGD COCC(=O)N[C@H](C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1)C(C)C 741374411 ZQEBDUGCSIOOMZ-PBHICJAKSA-N 423.422 -0.696 50 20 HBGD Cc1cccc(C(=O)NNC(=O)COC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1 745482182 NEGPDNSXMCMRIE-OMNBBPDLSA-N 415.402 -0.538 50 20 HBGD C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NNC(=O)C(=O)N1CCCC1)C2=O 748247152 UZJUWTAAEXBFFT-CWTRNNRKSA-N 407.471 -0.107 50 20 HBGD C[C@@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)[C@H]1CN(C)CCO1 770436752 ZRXLXRJDGSMWBE-IUODEOHRSA-N 413.500 -0.400 50 20 HBGD COc1nc(O)cc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)n1 770519062 MYVWSWIQUBUHNQ-GFCCVEGCSA-N 404.335 -0.665 50 20 HBGD Cc1ccc(C(=O)NNC(=O)CN2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)cc1 779623008 WDIZMASCQLCXMP-KRWDZBQOSA-N 424.523 -0.118 50 20 HBGD CC[C@@H]1C[C@@H](CC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CCO1 781710585 PITXYCYRFLZADL-NWDGAFQWSA-N 406.443 -0.824 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cc(F)c(F)cc1N1CCOCC1 806709297 FKRNLBSLQMQNBS-VIFPVBQESA-N 421.426 -0.108 50 20 HBGD O=C1NC(=O)C(=NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)C(=O)N1 814214292 ZYSOUFGGRVIDIF-UHFFFAOYSA-N 418.373 -0.160 50 20 HBGD O=C(COC(=O)CCNS(=O)(=O)c1cccnc1)NNC(=O)c1cccs1 914904460 BAPYLTRCYKDITG-UHFFFAOYSA-N 412.449 -0.184 50 20 HBGD O=C(Cc1ccc(O)cc1)NCC(=O)NNC(=O)C1CCN(c2ncccn2)CC1 1323968427 RUPIBVNIHAVQLO-UHFFFAOYSA-N 412.450 -0.095 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)C3=COCC3)CCO2)C1 1779033794 FBXXBGUHPPSVRY-LJQANCHMSA-N 401.423 -0.567 50 20 HBGD Cc1nccnc1C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1779779608 STLUYBYVEDLJDX-HXUWFJFHSA-N 410.239 -0.778 50 20 HBGD N#Cc1c[nH]c(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1 1780333027 OSZVYBBXASUADT-HXUWFJFHSA-N 408.223 -0.677 50 20 HBGD COc1cnc(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)cn1 1783936256 KMTGRSLNKLZBAM-IBGZPJMESA-N 420.470 -0.698 50 20 HBGD O=C(O)c1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)ncn1 1784086105 FGKCYGPMLGWKMQ-NUZBWSBOSA-N 412.830 -0.632 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)CSc3nc[nH]n3)C2)C1 1784395170 ZURVUXRALABHQW-XHDPSFHLSA-N 403.892 -0.020 50 20 HBGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cnnn3)[C@H]2C1 1787093962 AYKJXQVPJPJJDT-BJDJZHNGSA-N 401.265 -0.564 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cc[nH]n3)C[C@@H]21 1791293991 WDLQSYYYSCESTR-BPUTZDHNSA-N 406.487 -0.695 50 20 HBGD CC(C)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)CNC1=O 1793759767 USMBZKMHZIPHKM-GNXNZQSNSA-N 400.863 -0.607 50 20 HBGD Cc1ncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)s1 1795738948 LIWKAARPMODVBU-XOIINTDNSA-N 415.280 -0.352 50 20 HBGD COC[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796439508 IDHDFURYKHZUFR-GWLPNEETSA-N 419.482 -0.008 50 20 HBGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NNC(=O)C1 1797687041 YBJPVFKSUMIMLB-WJZNIJOASA-N 401.261 -0.375 50 20 HBGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(C)C(=O)CC1)C2 1800756469 DJCNVPWNRANXJI-NJBDSQKTSA-N 415.288 -0.032 50 20 HBGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@](C)(O)CC(=O)O)C2 1800763120 OVIZULWZSAHNTK-MHVMWVFRSA-N 421.288 -0.025 50 20 HBGD COC[C@H](NC(C)=O)C(=O)N1CCC2(CCCN(C(=O)[C@@H](O)CCl)C2)CC1 1805523350 ULOASTYIPJKKTL-GJZGRUSLSA-N 403.907 -0.032 50 20 HBGD NC(=O)CC[C@H](N)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](O)CCl)n[nH]1 1814870275 MZPDYSVPOXYUQO-ZMLRMANQSA-N 400.867 -0.406 50 20 HBGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CC(O)C3)CCO2)C1 1830588544 ZHWJMCCQFWAVRI-OCLKLICZSA-N 405.289 -0.003 50 20 HBGD O=C(c1ccnc(F)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830726915 WMAZCYGZSLJWFS-CXAGYDPISA-N 401.822 -0.110 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncn(C)n3)CCO2)C1 1833885174 FGLQUHZDUNRGKA-LRDDRELGSA-N 401.851 -0.861 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1=CCCC1)CCO2 1834686823 BFPHBGXKLSOYMF-HXUWFJFHSA-N 408.499 -0.074 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnnc3O)CCO2)C1 1838376285 BDNQXKQRJPILCS-SUMWQHHRSA-N 414.846 -0.494 50 20 HBGD Cc1n[nH]cc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185823 TZNFZBOBZPFPQC-LJQANCHMSA-N 422.486 -0.839 50 20 HBGD O=C(CC[C@@H]1CCOC1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840585208 BRHMTENPZXSEEL-VKJFTORMSA-N 404.891 -0.141 50 20 HBGD CC[C@H](Br)C(=O)N1CC2(CCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)C1 1843235535 ALFVRDUSLCBJGX-VIFPVBQESA-N 424.259 -0.197 50 20 HBGD O=C(NNc1nc(-c2ccncc2)no1)[C@H]1CC(=O)N(CCN2CCOCC2)C1 728072072 RPLLSGPGSAREDQ-AWEZNQCLSA-N 401.427 -0.245 50 20 HBGD O=C(CNC(=O)c1ccc(Br)s1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 728202889 CCSUJYZAJRGQRJ-SSDOTTSWSA-N 424.298 -0.178 50 20 HBGD Cn1c(=O)nc(O)c2cc(S(=O)(=O)NNC(=O)NCCc3cccs3)cnc21 728507219 PLRNHDHKAZYGJJ-UHFFFAOYSA-N 424.464 -0.169 50 20 HBGD C[C@@H](CS(C)(=O)=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 746813830 WBVGCTFLOCHGIQ-LBPRGKRZSA-N 417.509 -0.087 50 20 HBGD C[C@H]1CN(CCC(=O)NNC(=O)c2coc(S(=O)(=O)N(C)C)c2)C[C@H](C)O1 756743644 AXAJFGNZXFWKIP-RYUDHWBXSA-N 402.473 -0.210 50 20 HBGD Cc1ccc(N2C[C@H](C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)CC2=O)cc1F 758037239 YQXDYZXBTHJBNQ-GHMZBOCLSA-N 400.432 -0.428 50 20 HBGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)nn1-c1ccccc1 764227098 MCGDETRSECXHOQ-LLVKDONJSA-N 408.440 -0.796 50 20 HBGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1ccc(OC)c(CC(=O)O)c1 774622217 YNPROAULTHTLDP-UHFFFAOYSA-N 401.441 -0.063 50 20 HBGD CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1115818723 SCFJEZKSXILRDO-LRDDRELGSA-N 406.464 -0.203 50 20 HBGD Cc1csc(CC(=O)NNC(=O)CN2CC[S@@](=O)C[C@@H]2c2cnn(C)c2)n1 1324532567 LFWWAZRBMZDSEE-PFUSGODGSA-N 410.525 -0.319 50 20 HBGD Cc1n[nH]cc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779032326 JEYYMHWEQLFXNU-LJQANCHMSA-N 413.438 -0.526 50 20 HBGD CC(C)O[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1779167458 BKINLXJBGHZWGW-XOBRGWDASA-N 419.482 -0.058 50 20 HBGD NC(=O)[C@H](N)CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781331041 JSVIEGOVJAJNQZ-UDZFHETQSA-N 409.256 -0.900 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1CC(O)C1)C2 1782210319 PJBXBNSAAOQTEG-JNKIDDAASA-N 410.515 -0.356 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CNC(=O)C1)C2 1782213473 VCUFBXVECBHPSW-BXTJHSDWSA-N 423.514 -0.991 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cc(F)c[nH]3)C2)C1 1783629864 VKPXKNUKMGVHDX-LJQANCHMSA-N 401.203 -0.409 50 20 HBGD Cc1cc(C)n(CC(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)n1 1783933717 WBALXGLDNUPTCK-HXUWFJFHSA-N 420.514 -0.297 50 20 HBGD C[C@@H](NC(=O)c1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792984225 ZRSCDTQGXNBIHD-USACIQFYSA-N 423.897 -0.006 50 20 HBGD CC(=O)c1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)n[nH]1 1794897852 ALYHEGFRCBXLEU-MUJYYYPQSA-N 410.239 -0.142 50 20 HBGD CCc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1795734760 OXWGVLNAFMBIIA-ZSBFGKGUSA-N 412.255 -0.831 50 20 HBGD CS(=O)(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796192370 DRBWPJJCSRVTDL-MUJYYYPQSA-N 408.285 -0.947 50 20 HBGD C[C@H](CC(N)=O)C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809978209 WZILKXFQSFTMEU-OAHLLOKOSA-N 415.299 -0.277 50 20 HBGD C[C@H](NC=O)C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815343722 LKRBCJPWIOXCGJ-GWCFXTLKSA-N 416.268 -0.817 50 20 HBGD O=C(CCN1CCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830739165 YKMWNMIXHGYTOO-YJBOKZPZSA-N 403.907 -0.472 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnnn3C)CCO2)C1 1833237003 ZMBWKPUDGRVQBS-LRDDRELGSA-N 401.851 -0.861 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)CS(C)(=O)=O)CC2)CC1 1834572870 ZVQPTFORCKBCLH-OAHLLOKOSA-N 423.963 -0.144 50 20 HBGD CC(=O)N1CCc2ccc(S(=O)(=O)NNC(=O)CNC(=O)c3ccco3)cc21 734416290 PUZHHNSMNPWPBA-UHFFFAOYSA-N 406.420 -0.072 50 20 HBGD CCN(CC)S(=O)(=O)CC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 735834388 RCKIGSFUERPNEX-UHFFFAOYSA-N 420.513 -0.631 50 20 HBGD COCC(=O)N[C@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(C)C 741206903 GMYCDVPERSCYDX-HNNXBMFYSA-N 414.484 -0.515 50 20 HBGD O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)COc1ccc(F)cc1 742477303 FWRJEMGDLLFPCU-OMNBBPDLSA-N 405.382 -0.096 50 20 HBGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)Cc2ccc(S(N)(=O)=O)s2)cc1 744701113 CINLDQJCXOVOIP-UHFFFAOYSA-N 422.444 -0.186 50 20 HBGD COC(=O)Cn1ccc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)n1 756648408 WGYSMAVDNHZILW-UHFFFAOYSA-N 424.439 -0.227 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 758033920 BCXAKKJUWUVGCT-UWVGGRQHSA-N 402.860 -0.222 50 20 HBGD Cc1ccc(N2C[C@@H](C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)CC2=O)cc1F 758037254 YQXDYZXBTHJBNQ-QWRGUYRKSA-N 400.432 -0.428 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@@H]3CCCO3)CC2)cc1 763586073 ALXCDMBUPVTQHT-INIZCTEOSA-N 410.496 -0.372 50 20 HBGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(CN2CCN(C)CC2)c1 764397381 HXSXCXQDOOZWFU-HNNXBMFYSA-N 421.498 -0.429 50 20 HBGD C[C@@H]1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)C(=O)NNC(=O)CO)c1 764421677 QFXBCZZMAXMVKM-LLVKDONJSA-N 409.418 -0.283 50 20 HBGD COC(=O)c1cc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)oc1C 764815786 GLRSQIZJZSRDGT-UHFFFAOYSA-N 402.367 -0.728 50 20 HBGD COC(=O)COc1ccc(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)c(C)c1 783427061 LDXGUAZYJMHGJT-KRWDZBQOSA-N 413.452 -0.317 50 20 HBGD COC(=O)Cc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)cc1 784002003 HZDCQFUBUAFBIL-UHFFFAOYSA-N 402.363 -0.489 50 20 HBGD NS(=O)(=O)c1cc(C(=O)NNS(=O)(=O)C[C@@H]2CCCOC2)ccc1Cl 795282088 AOTRNIKGLWIBNA-SECBINFHSA-N 411.889 -0.022 50 20 HBGD COCCN1C[C@@H](C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CC1=O 914590646 PTLDAJIOLWOTNR-WFASDCNBSA-N 421.406 -0.988 50 20 HBGD C[C@H](NC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1)c1nnnn1C 1123737507 CXKVZVVROUFYBZ-AWEZNQCLSA-N 401.475 -0.186 50 20 HBGD CCc1ccc(S(C)(=O)=O)cc1C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1319523602 CEFSLJWMYYZTDR-LLVKDONJSA-N 403.482 -0.216 50 20 HBGD Cn1nc(SCC(=O)NN=C2CCC[C@H](S(C)(=O)=O)C2)c(=O)n(C)c1=O 1320980420 COOXFMZNVTXXFI-JTQLQIEISA-N 403.486 -0.970 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3[nH]cc4c3CCC4)C2)C1 1779998283 SRFPNQMWZHJPRL-JOCHJYFZSA-N 423.278 -0.060 50 20 HBGD C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)n1cccc1 1784331202 VMPURIJFESDTDV-KKSFZXQISA-N 411.267 -0.127 50 20 HBGD Cc1[nH]nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c1F 1794475244 PWMKJARUMVTOHG-YWVIFJGQSA-N 416.218 -0.946 50 20 HBGD CCc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)no1 1798216441 ZCNIVAMXRLEVKN-ZSBFGKGUSA-N 413.239 -0.566 50 20 HBGD COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)nn1 1798372799 SEMPZMCLJCUCTK-IVWMJMPLSA-N 420.470 -0.939 50 20 HBGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)N1CCOCC1)C2 1800759449 QMAOCNLWSXDJTQ-DKBOKBLXSA-N 420.304 -0.990 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cncnc1)C2 1801013011 KBIKQLZZQDAQGW-CWPLJXCYSA-N 418.498 -0.628 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccccc1O)C2 1801013267 YXJKAFKXPIGWSX-VPTLXERWSA-N 418.494 -0.103 50 20 HBGD C[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2)n1cnnn1 1803085837 ATORXXBHEGWTFR-RVMXOQNASA-N 413.442 -0.815 50 20 HBGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=N)N)CCO2)C1 1835578343 RHHQHPGLVMYZTB-NHYWBVRUSA-N 420.308 -0.901 50 20 HBGD O=C(/C=N/O[C@@H]1CCCCO1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011462 GBABLCSRASCNPU-FNLSEGDXSA-N 415.255 -0.288 50 20 HBGD COc1cnc(C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)cn1 1844263743 OVUGHGZQYNTFKI-UHFFFAOYSA-N 411.422 -0.386 50 20 HBGD CC[C@@H](Br)C(=O)N1CCCC12CN(C(=O)CN(CCO)CCO)C2 1846072398 WSKHKHXFHQXSAQ-CYBMUJFWSA-N 406.321 -0.350 50 20 HBGD C=CCN1C(=O)C(=O)N(CC(=O)NNC(=O)Cn2c(CC)nc3ccccc32)C1=O 729300631 XBNFKPUONISQMB-UHFFFAOYSA-N 412.406 -0.277 50 20 HBGD CCCCCn1nc(C(=O)NNC(=O)CN2CC(=O)NC2=O)c2ccccc2c1=O 731865088 JVNBPCPEDSKSMT-UHFFFAOYSA-N 414.422 -0.101 50 20 HBGD C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)C(=O)Nc1ccccn1 758830974 LJGANHJDMKAZGQ-JTQLQIEISA-N 409.399 -0.326 50 20 HBGD O=C(NC1CC1)N[C@@H]1CCN(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)C1 760670931 URSJHEMVBZLOII-OAHLLOKOSA-N 416.486 -0.030 50 20 HBGD CCc1ccc(C(=O)NNC(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)cc1 763831552 NYANVJRXLZYPOG-UHFFFAOYSA-N 424.417 -0.406 50 20 HBGD CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)CN(C)C)cc1 764212927 RMRLTQLGNUEZKF-LLVKDONJSA-N 407.427 -0.985 50 20 HBGD C[C@H]1CN(Cc2cccc(NC(=O)C(=O)NNC(=O)[C@@H]3COCCO3)c2)C[C@@H](C)O1 764425272 OHNWGBLCBPFYHY-VBQJREDUSA-N 420.466 -0.203 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2n[nH]c3cc(C(=O)O)ccc23)n(C)c1=O 765585241 YFKCYSSDLFDUDI-UHFFFAOYSA-N 424.377 -0.842 50 20 HBGD Cc1cc(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc([N+](=O)[O-])c1F 768274200 NZDFCHSTDCLBBJ-MRVPVSSYSA-N 410.405 -0.278 50 20 HBGD Cc1nc(S(=O)(=O)NCCC(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)cn1C 772072599 UESKOEVLDYCLMV-LLVKDONJSA-N 417.488 -0.478 50 20 HBGD CN1CCN(S(=O)(=O)N2CCN(S(=O)(=O)CCCCCl)CC2)CC1 773342463 WPMAZLSGEFLJKL-UHFFFAOYSA-N 402.970 -0.555 50 20 HBGD COCCCNC(=O)NNC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@@H](C)O 779503137 INMQATMUFOOPMN-OCCSQVGLSA-N 402.473 -0.610 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NN=C2CCC(=O)Nc3ccccc32)n(C)c1=O 783855586 JZZALWUUDCTKPP-UHFFFAOYSA-N 409.406 -0.314 50 20 HBGD Cc1ccc(-n2cc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cn2)c(C)c1 786417136 MBLUTWOYCWDKGA-LBPRGKRZSA-N 422.467 -0.487 50 20 HBGD Cc1ccn(C[C@](C)(O)C(=O)OCC(=O)NNC(=O)Cc2nc(C)cs2)c(=O)c1 790689833 KTPQEZFBAMVXQB-SFHVURJKSA-N 422.463 -0.394 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccccc1N1C[C@H]2CC[C@H]1C2 790952991 VFPOMVMVFDBENF-AGIUHOORSA-N 423.495 -0.301 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NN=C2CCOc3cc(F)ccc32)n(C)c1=O 794920305 JHWFOMWYNKXLHT-UHFFFAOYSA-N 400.370 -0.124 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(Cl)c(CN(C)C)c1 799259205 RDWZXISVWBQSPL-SECBINFHSA-N 419.891 -0.575 50 20 HBGD CC(C)(C)[C@@H](NC(N)=O)C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 800333905 BDWRIVSEPUCOFW-INIZCTEOSA-N 418.498 -0.325 50 20 HBGD Cn1[nH]cc2c(=NC(=O)C(=O)NNC(=O)CN3CCCc4ccccc43)ccnc1-2 806973642 GQIIVWQCGVJCMZ-UHFFFAOYSA-N 407.434 -0.120 50 20 HBGD O=C(NNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)c1ccc([N+](=O)[O-])cc1 914831962 XKNOABRCUVKNGL-YPMHNXCESA-N 410.408 -0.609 50 20 HBGD CON(C)S(=O)(=O)c1ccc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)cc1 1317798980 XIXMAUMEQNJNIN-ZDUSSCGKSA-N 405.498 -0.026 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CC[C@@H]3NC(=O)NC3=O)cc2)CC1 1319369303 AFIQSZGZIYCDQR-AWEZNQCLSA-N 424.483 -0.946 50 20 HBGD CN(C)N(C(=O)c1cc2c(c(S(N)(=O)=O)c1)CCC2)[C@H]1CCS(=O)(=O)C1 1343773482 IBGUVQMGFNTQJG-ZDUSSCGKSA-N 401.510 -0.071 50 20 HBGD COC[C@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1779317144 BSFMMRZOHRLOJQ-ZOWXZIJZSA-N 424.267 -0.342 50 20 HBGD CCc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)n[nH]1 1783933985 QKGONYJORJUTTK-IBGZPJMESA-N 406.487 -0.211 50 20 HBGD Cc1nc2ncccn2c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792978548 ZYJGKUSGFRZFQS-XJFOESAGSA-N 407.858 -0.159 50 20 HBGD O=C(C[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1793767217 LEBMCVGWQNHVGI-YNVMFWSZSA-N 416.283 -0.471 50 20 HBGD CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)CCC1 1829680153 WJRPJXNHWBIKIO-OAQYLSRUSA-N 416.283 -0.373 50 20 HBGD CN1CCCC[C@@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1 1830720015 QRNSIUUWULGPKE-VKJFTORMSA-N 403.907 -0.473 50 20 HBGD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)ncn3)CC2)CC1)[C@@H](O)CCl 1833306462 SBSPQCGMXKZZIN-HNNXBMFYSA-N 411.890 -0.033 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)C1CCCC1)CCO2 1834646523 WAMYYCJWEDSGJZ-OAQYLSRUSA-N 416.283 -0.373 50 20 HBGD COC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1837731353 VZRASQKAYHIJSK-XEZPLFJOSA-N 409.842 -0.872 50 20 HBGD COCCN(C)S(=O)(=O)[C@H]1CCCN(CC(=O)NNC(=O)c2cccs2)C1 753784780 GUHPFNLNYJAVRK-ZDUSSCGKSA-N 418.541 -0.119 50 20 HBGD CCOC(=O)N1CCN(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCO3)CC1 755960328 XWTNFDCDAOGUFT-UHFFFAOYSA-N 400.413 -0.331 50 20 HBGD NC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 763570590 GODBGQUYNGRUPW-HNNXBMFYSA-N 414.374 -0.523 50 20 HBGD CCOc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1Cl 764226986 LMFISYYREDDFOD-MRVPVSSYSA-N 406.848 -0.238 50 20 HBGD CN1CCCN(c2ccc(NC(=O)C(=O)NNC(=O)[C@@H]3COCCO3)cc2)CC1 764435457 VQFDNZUIOMPVAJ-INIZCTEOSA-N 405.455 -0.670 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)Cn3cccn3)CC2)cc1 766636576 QNEZWIIANKHVRZ-UHFFFAOYSA-N 420.495 -0.655 50 20 HBGD COc1ccccc1-c1cc(C(=O)NNC(=O)CN2CCS(=O)(=O)CC2)n[nH]1 768280750 CRGKXZQEUFHZPS-UHFFFAOYSA-N 407.452 -0.423 50 20 HBGD CS(=O)(=O)Nc1ccc(O)c(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 769615577 DCHPXSMADUKULQ-UHFFFAOYSA-N 417.407 -0.186 50 20 HBGD COc1cc(F)cc(NNC(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)c1 785237510 STUBJSDVZYKQAN-UHFFFAOYSA-N 416.369 -0.138 50 20 HBGD NC(=O)[C@@H]1CC(C(=O)NNC(=O)[C@H]2CCc3nncn3C2)=NN1c1ccc(F)cc1 816885199 TUTJZZVEEGVMBD-HZMBPMFUSA-N 414.401 -0.753 50 20 HBGD NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NNC(=O)C3CCCC3)CC2)o1 916636256 XYAHTKSZWUMIOK-UHFFFAOYSA-N 413.456 -0.384 50 20 HBGD Cn1c(=O)nc(O)c2nc(CCC(=O)NNC(=O)c3ccc4c(c3)OCCO4)[nH]c21 920247477 UNUHFQPHRDICED-UHFFFAOYSA-N 414.378 -0.473 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(CN(C(=O)CCc3cnccn3)CCO2)C1 1783937003 CLHXOJXNOPIMKS-FQEVSTJZSA-N 418.498 -0.388 50 20 HBGD Cc1cccnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1784707947 SZNJLJJTNLKTHQ-WDSOQIARSA-N 423.278 -0.023 50 20 HBGD Cc1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786982847 FCBNBPNNGKALPV-VDGAXYAQSA-N 423.278 -0.023 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CC[C@H]2CO[C@@H](CNC(=O)C3(F)CCC3)[C@H]2C1 1791854730 KMQRZVRBOPJASE-XIRDDKMYSA-N 404.247 -0.148 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC=CO1)C2)c1ccc(B(O)O)cc1 1795734355 MTZNBLIPRPPQBF-MVJTYMMSSA-N 400.240 -0.738 50 20 HBGD NC(=O)c1ncccc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796190781 LLKVWXDMQXKIFM-MUJYYYPQSA-N 422.250 -0.574 50 20 HBGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccncc1=O)C2 1800762077 MVKHMCVWVCWRJW-OHTBPHCPSA-N 413.272 -0.384 50 20 HBGD CC(=O)c1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)n[nH]1 1801009380 CLSCIFPITDTMBA-IVWMJMPLSA-N 420.470 -0.812 50 20 HBGD COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)nn1 1801011805 GNCDNCGZDZBJPV-IVWMJMPLSA-N 420.470 -0.939 50 20 HBGD CCOC(=O)N[C@H](O)C(=O)N1CCC2(CCCN(C(=O)[C@H](O)CCl)C2)CC1 1805524619 WDDWWQWIWZGQHZ-CHWSQXEVSA-N 405.879 -0.118 50 20 HBGD C[C@@H](CNC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1)CN1CCN(C)CC1 745862652 LQEXCPCMWKJEFL-AWEZNQCLSA-N 401.475 -0.510 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2ccc(F)c(C#N)c2)n(C)c1=O 756358687 WREOMBJIKWMAEQ-UHFFFAOYSA-N 414.357 -0.703 50 20 HBGD O=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)NNC(=O)Cc1cc[nH]n1 758068427 OWMOLJZTYOXFNY-UHFFFAOYSA-N 409.424 -0.761 50 20 HBGD Cc1cc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc([N+](=O)[O-])c1 765723885 FNJCVOPAONDCSQ-UHFFFAOYSA-N 415.366 -0.888 50 20 HBGD O=S1(=O)CC[C@@H](N(CCCN2CCOCC2)S(=O)(=O)CBr)C1 782401138 APUWGABCJYAYFO-GFCCVEGCSA-N 419.363 -0.120 50 20 HBGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1ccccc1-n1ccnn1 784004800 KLHGZCGPNVSFSZ-UHFFFAOYSA-N 413.419 -0.155 50 20 HBGD CCc1c(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cnn1C(CC)CC 792268865 OFKURMUVTANAKB-SNVBAGLBSA-N 416.504 -0.170 50 20 HBGD CS(=O)(=O)C1(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CCC1 792807528 ABIAJNKUNJEANA-UHFFFAOYSA-N 409.873 -0.284 50 20 HBGD CN(C)N(C(=O)CNS(=O)(=O)c1ccc2c(c1)COC2)[C@@H]1CCS(=O)(=O)C1 792848236 DLIHDMOLUHSPMS-CQSZACIVSA-N 417.509 -0.513 50 20 HBGD C[C@H]1CCC(=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)[C@H](n2cncn2)C1 794525014 RXKIBIXXJACKIO-WCQYABFASA-N 413.442 -0.441 50 20 HBGD CN(NS(=O)(=O)c1cnnn1C)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 795181894 PUTXADWYTGNMEU-UHFFFAOYSA-N 403.465 -0.387 50 20 HBGD Cn1nnc2c(C(=O)NNC(=O)CN3CCN(C(=O)c4ccccc4)CC3)ccnc21 801165164 QAALGCWEIUYYEV-UHFFFAOYSA-N 422.449 -0.418 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@](N)(c1cccc(F)c1)C(F)(F)F 806787908 PJYHMQFNEGONEN-KRTXAFLBSA-N 400.354 -0.373 50 20 HBGD N#Cc1ccc(S(=O)(=O)NCC(=O)NNC(=O)COc2ccccc2O)cc1 810364686 DWVQFTBBQAWDGI-UHFFFAOYSA-N 404.404 -0.231 50 20 HBGD Cc1nc(O)nc(O)c1CCC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 813469393 SZBGTECPZDNMTF-UHFFFAOYSA-N 423.451 -0.160 50 20 HBGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)Cn1ccc(=O)n(C)c1=O 915394916 SCUAGKJSNBZOTI-UHFFFAOYSA-N 424.797 -0.787 50 20 HBGD CCC1(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)COC1 1779036896 IFIZBJIONROZNR-FQEVSTJZSA-N 417.466 -0.445 50 20 HBGD N#Cc1c[nH]c(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)c1 1780335506 WQCGBWLKMOLHKJ-HXUWFJFHSA-N 423.433 -0.358 50 20 HBGD CN(CC(=O)N1CC[C@@]2(CN(C(=O)CCBr)CCO2)C1)C(=O)C(=O)O 1782748112 UQODXCAJVOIWIB-HNNXBMFYSA-N 420.260 -0.856 50 20 HBGD C[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCN(C)CC3)CCO2)C1 1783533727 GFTFZWLTFUFEMD-RHSMWYFYSA-N 417.348 -0.153 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)n1 1796797672 HQOVBNLINGMPRO-ZSBIGDGJSA-N 406.443 -0.487 50 20 HBGD Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)c(O)n1 1798657324 WJJXPZKZDDLIAS-ZSBFGKGUSA-N 419.482 -0.328 50 20 HBGD O=C(O)C#CC(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815348414 MSQBBVSNWWTWGG-LBPRGKRZSA-N 413.220 -0.863 50 20 HBGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(N)=O)C2)C1 1830545796 NCLUPCZWWUTAIB-ABAIWWIYSA-N 421.292 -0.858 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=N)N)CCO2)C1 1835574150 GFKPIUUHADBQPI-HUUCEWRRSA-N 410.302 -0.838 50 20 HBGD O=C(c1nc[nH]n1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1836350477 CRHQZLBAUSBAIZ-ZANVPECISA-N 406.212 -0.435 50 20 HBGD C[C@@H]1C[C@]1(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1839093501 SSQWTUHCEKKUGD-UIAACRFSSA-N 410.515 -0.138 50 20 HBGD Cn1ncnc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839198348 YIMCCSSSUFIEQC-YGRLFVJLSA-N 420.239 -0.424 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1839864404 RNNJZDTUIHDPCQ-KRWDZBQOSA-N 401.536 -0.440 50 20 HBGD C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1840164717 PQLLIKUBBYFAQG-CXAGYDPISA-N 402.517 -0.866 50 20 HBGD O=C(CCn1ccnn1)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1840449238 IBZIYXCNGQDVLN-OAHLLOKOSA-N 406.270 -0.072 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)CNC(=O)c2cccnc2)C1 1841970867 VBEFJIXSXLCZHQ-UHFFFAOYSA-N 416.482 -0.612 50 20 HBGD CN[C@H](CC(=O)N1CCCC12CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2)C(=O)O 1842950721 WHZWLFDCRNICLE-LVCXCXRVSA-N 418.454 -0.614 50 20 HBGD N[C@@H](CC(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1)c1cccnc1 1843011164 YDXYKCIESWMOJK-SFHVURJKSA-N 408.267 -0.332 50 20 HBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CN(C)S(C)(=O)=O)c1 106012860 UWDIGJBXSXSRPF-UHFFFAOYSA-N 420.513 -0.631 50 20 HBGD COc1ccccc1C(=O)NNC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 731499840 KKPAATRWDXMBRF-UHFFFAOYSA-N 403.439 -0.184 50 20 HBGD COc1ccc(C(=O)NCCN2CCN(CC(=O)NNC(=O)C3CC3)CC2)cc1 733197721 ASESFOMQXQDKRL-UHFFFAOYSA-N 403.483 -0.400 50 20 HBGD COc1ccc([C@]2(C)NC(=O)N(CC(=O)NNC(=O)N3CCOCC3)C2=O)cc1 745991922 LEWJTDBKNILFKZ-SFHVURJKSA-N 405.411 -0.465 50 20 HBGD NC(=O)c1cc(S(=O)(=O)NCC(=O)NNC(=O)CCCc2ccccc2)c[nH]1 746209865 FOKCZRDNSOEJFW-UHFFFAOYSA-N 407.452 -0.438 50 20 HBGD COc1ccc(OCC(=O)NNC(=O)NCCNS(=O)(=O)c2cccnc2)cc1 746326659 SSOSLGRFTKXOBS-UHFFFAOYSA-N 423.451 -0.222 50 20 HBGD O=C(CNC(=O)c1ccco1)NNS(=O)(=O)c1cc(F)c(F)c(C(=O)O)c1 751142781 NUYHRKMJVIIQLM-UHFFFAOYSA-N 403.319 -0.005 50 20 HBGD COc1ccc(C(=O)NNC(=O)COC(=O)C(C)(C)NS(C)(=O)=O)cc1OC 751696095 OYFLHOZRQXXLLI-UHFFFAOYSA-N 417.440 -0.664 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 755932648 CMTNRIIPDBGXQH-LLVKDONJSA-N 413.456 -0.751 50 20 HBGD COc1cc(C)nc(NNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)n1 763058622 PZHQDPMSAYKYIL-SNVBAGLBSA-N 408.440 -0.297 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(-c2nccn2C)c1 764230704 JZCNZAXQGIBJFC-JTQLQIEISA-N 408.440 -0.889 50 20 HBGD CN(CC(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1)[C@H]1CCSC1 772046023 FSNTXGMSOHZMSZ-SWLSCSKDSA-N 409.464 -0.046 50 20 HBGD NC(=O)c1cc(S(=O)(=O)NCC(=O)NNc2ccc(C(F)(F)F)cn2)c[nH]1 775251999 KYNXIKXWSUXYHK-UHFFFAOYSA-N 406.346 -0.051 50 20 HBGD CCOC(=O)c1cnc(NNC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)nc1C 778425142 LWMFEQKEGFUFFT-RFHZTLPTSA-N 403.395 -0.433 50 20 HBGD CC(C)(C)OC(=O)N1CC(C)(OCC(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)C1 782672811 SGAMLHUODZFYOZ-NSHDSACASA-N 420.488 -0.470 50 20 HBGD CCOC(=O)COc1ccc(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)cc1 783426601 HRPOBAMVQJMGAA-KRWDZBQOSA-N 413.452 -0.235 50 20 HBGD Cn1nc(SCC(=O)NN=Cc2ccc3c(c2)NC(=O)CO3)c(=O)n(C)c1=O 788710023 UQXXHOUMPZDADA-UHFFFAOYSA-N 404.408 -0.948 50 20 HBGD Cc1ccn(C[C@](C)(O)C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)c(=O)c1 790463761 YWMJHGYZSDUUQT-FQEVSTJZSA-N 411.418 -0.384 50 20 HBGD COCCCNC(=O)NNC(=O)[C@@](C)(NC(C)=O)c1ccc(S(C)(=O)=O)cc1 797714066 ZCZWYMJLHIXLDY-KRWDZBQOSA-N 414.484 -0.192 50 20 HBGD CC(C)Cn1ncc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1C1CC1 806978343 XHDKYLYJGRNSES-JTQLQIEISA-N 414.488 -0.560 50 20 HBGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1ccc2nc(O)[nH]c2c1 812456952 ZSXLAIFPNCXBFP-UHFFFAOYSA-N 403.424 -0.307 50 20 HBGD O=C1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)c3cccnc3)cc2)CCN1 914457401 YOPKQQGBWVCNLE-UHFFFAOYSA-N 403.420 -0.723 50 20 HBGD Cn1c(CC(=O)NNC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)nc2ccccc21 920239193 WCKFTBZSEORKFA-LBPRGKRZSA-N 408.484 -0.130 50 20 HBGD COc1cc(CC(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc(OC)c1OC 1317963285 QCPXBIKMQRRENF-LLVKDONJSA-N 401.441 -0.228 50 20 HBGD COC(=O)C(=O)NNC(=O)NCc1cccc(NC(=O)CCN2CCOCC2)c1 1318883136 UEFCKRMLHFFNFR-UHFFFAOYSA-N 407.427 -0.649 50 20 HBGD O=C1Nc2c(cccc2C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)C1=O 1778706824 FELAKIYIKRYSEA-YJYMSZOUSA-N 421.837 -0.135 50 20 HBGD O=C(Cc1ccc2ncnn2c1)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1780947548 QDLGKODTEKNNHK-KSSFIOAISA-N 407.858 -0.299 50 20 HBGD Cc1nnc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)s1 1787056635 PAOCABXGWKPAII-CYDGBPFRSA-N 402.904 -0.032 50 20 HBGD CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Cl)C2 1796299110 MUCQYKXJAOKBQN-PPCPHDFISA-N 423.869 -0.004 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CCOCC1)C2 1798439086 ANWQVKJHHBVVNW-QDMKHBRRSA-N 416.482 -0.731 50 20 HBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)c1nc[nH]n1 1817757980 HHNOVRFTXDXEIQ-AWEZNQCLSA-N 409.215 -0.173 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)Cn2cnnn2)CC1 1827198560 BJAXJTFWJQNKOI-INIZCTEOSA-N 420.518 -0.334 50 20 HBGD Cc1n[nH]c(C)c1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830734035 ZMUJUANUPJRXCS-MAUKXSAKSA-N 414.890 -0.375 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=N)N)C2)C1 1839151687 ARGMRYRTHUFQNF-LSDHHAIUSA-N 410.302 -0.838 50 20 HBGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839966962 VHGDRNXNQGSTGV-LRDDRELGSA-N 417.256 -0.296 50 20 HBGD C[C@H](CBr)C(=O)N1CC2(CCCN2C(=O)CN2CC(=O)NC2=O)C1 1841890375 CCIKUMQDPPRPCO-SNVBAGLBSA-N 401.261 -0.227 50 20 HBGD O=C(NCC(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cccnc1 1841969166 VBXRRMURTWVXKC-UHFFFAOYSA-N 422.250 -0.992 50 20 HBGD CN(C)C(=O)COc1ccccc1/C=C(/C#N)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 148625591 KEAUTWHFBCTRQQ-LCYFTJDESA-N 411.418 -0.077 50 20 HBGD CCOCCOc1ccc(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1 728510888 XHPYLWXLDKFGHU-NSHDSACASA-N 409.486 -0.651 50 20 HBGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)Cc1cc[nH]n1 730101743 CGRHOVUWWYJBFT-UHFFFAOYSA-N 423.451 -0.557 50 20 HBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)Cc1cc[nH]n1 730101761 CZRBDAWEVMRNFG-UHFFFAOYSA-N 421.479 -0.247 50 20 HBGD CCCn1nc(C(=O)NNC(=O)CN2C(=O)NC(=O)C2(C)C)c2ccccc2c1=O 735875753 HPXFQJYFHSEQFZ-UHFFFAOYSA-N 414.422 -0.102 50 20 HBGD CCn1cc([C@@H]2C[S@@](=O)CCN2C(=O)NNC(=O)CNC(=O)c2ccco2)cn1 753120186 FJNFCCXYDHOFGT-YBKRRLQSSA-N 422.467 -0.228 50 20 HBGD COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)NNC(=O)Cc2cccnc2)C1 755251465 YBPVUKRPWSFNQM-OAHLLOKOSA-N 413.500 -0.263 50 20 HBGD COC(=O)c1ccc(NNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)nc1 759737942 ILJIPCLUAPMUPM-JTQLQIEISA-N 421.435 -0.223 50 20 HBGD C[C@H](CNC(=O)C(=O)NNC(=O)c1ccc(COc2ccccc2)o1)S(N)(=O)=O 763950154 SFDKJFAXBUBXAC-LLVKDONJSA-N 424.435 -0.587 50 20 HBGD CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@H](C)C2)c1 764084197 UMOSHGZKKNLFAF-RWMBFGLXSA-N 408.459 -0.349 50 20 HBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 786360889 NXZHSAPICXUUIP-NTFKUYOJSA-N 409.439 -0.336 50 20 HBGD CC(CN1Cc2ccccc2C1)=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 792634994 NCOAXXRDBXBWEB-UHFFFAOYSA-N 409.450 -0.058 50 20 HBGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)NCCCN1C(=O)CCC1=O 792918842 YCDHCVDICDEDEG-UHFFFAOYSA-N 405.411 -0.218 50 20 HBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)CCc2cncn2C)CC1 802751855 MTFMZHHSIWXOJT-UHFFFAOYSA-N 407.500 -0.173 50 20 HBGD COC(=O)c1cn(CC(=O)NNC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1 808010625 GKDCULIFBCYNCU-LLVKDONJSA-N 410.431 -0.141 50 20 HBGD Cn1nnc2c1C[C@H](C(=O)OCC(=O)NNC(=O)[C@@H]1COc3ccccc3O1)CC2 811342085 HZTILASLIUEIKX-BZNIZROVSA-N 415.406 -0.549 50 20 HBGD O=C(CNC(=O)c1cccs1)NNC(=O)c1ccc2c(c1)NC(=O)CNC2=O 815227983 NLMIEQVCTISUPK-UHFFFAOYSA-N 401.404 -0.379 50 20 HBGD O=C(CNC(=O)c1ccccc1OC(F)F)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 920212561 QAXFWVLUQCSPHR-SECBINFHSA-N 420.394 -0.465 50 20 HBGD CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)O1 1337206884 WRXIEHPCXWDHOI-HUUCEWRRSA-N 419.486 -0.341 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCC(=O)NC3)[C@H]2C1 1783632634 DWHCYTLPUCDQCF-QTVXIADOSA-N 401.891 -0.254 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1783935299 SQNDGHZCEHGUNR-UKRRQHHQSA-N 423.283 -0.120 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)c1ccc2ncnn2c1 1788448852 UEJVKAIZKKHTAQ-AJNGGQMLSA-N 407.858 -0.078 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCCOC3)[C@H]2C1 1792215960 CLUPLSRBOCPFIO-YVSFHVDLSA-N 410.515 -0.234 50 20 HBGD Cc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)n1 1794680495 SICDYVOHCZGHCS-HGKCTWBKSA-N 409.251 -0.413 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@@H]3C=CS[C@@H]13)C2)c1ccc(B(O)O)cc1 1795736747 IRWLNPJCHSZTNT-ZACOSQSXSA-N 414.292 -0.555 50 20 HBGD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)Br)n1cnnn1 1800762382 AJYLCTVLAHOCAI-CSYMLDBXSA-N 401.265 -0.393 50 20 HBGD O=C(CNCP(=O)(O)O)N1CCC2(CCCN(C(=O)[C@@H](O)CCl)C2)CC1 1805519441 QGVLCXVYOKAYJY-LBPRGKRZSA-N 411.823 -0.458 50 20 HBGD C[C@H](CN)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807012716 YDLUSEHTUSFTGC-LJHODMEESA-N 410.283 -0.324 50 20 HBGD Cn1cc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cn1 1830723250 MQRRAMSJTWGJCW-CRAIPNDOSA-N 414.890 -0.591 50 20 HBGD Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc(O)n1 1830727751 CVLATZPMWQYYAO-KDOFPFPSSA-N 413.858 -0.235 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c(C)noc3N)CCO2)C1 1835628620 DCAGAYHNQRXASH-PXAZEXFGSA-N 416.862 -0.111 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3c(C)noc3N)CCO2)C1 1835628625 DCAGAYHNQRXASH-SJKOYZFVSA-N 416.862 -0.111 50 20 HBGD CNC(=S)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1837464451 AMVLLVZFDFMLAF-DOMZBBRYSA-N 410.899 -0.539 50 20 HBGD O=C(c1cc(O)n[nH]1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199835 WDXICNUYTVYACH-FZMZJTMJSA-N 421.223 -0.124 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCOCC3)C2)C1 1840151487 DUHJYELTRVLYCX-QAPCUYQASA-N 419.906 -0.971 50 20 HBGD O=C([C@@H](O)Cc1ccccc1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012368 IPKOFJIZEAZNJW-IBGZPJMESA-N 408.263 -0.213 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)[C@H]1CCNC(=O)C1)C2 1844265207 FWNSHPMQJZRIDD-LBPRGKRZSA-N 400.439 -0.972 50 20 HBGD COc1cccc(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cccc(B(O)O)c2)n1 1848155502 JDDVSPROJVMFAM-ROUUACIJSA-N 409.251 -0.172 50 20 HBGD Cc1nc(S(=O)(=O)NCCC(=O)NNC(=O)CCc2ccccc2O)cn1C 730033221 WKNLHWVLQORCDU-UHFFFAOYSA-N 409.468 -0.117 50 20 HBGD Cn1cc(C(=O)NNS(=O)(=O)c2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)cn1 735461032 FSUIMLVXXBVJRK-JTQLQIEISA-N 407.408 -0.519 50 20 HBGD O=C(NNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)N1CCCC1 748246067 FCJOHJVNNRJYNR-UHFFFAOYSA-N 410.452 -0.909 50 20 HBGD C[C@@H]1CN(CC(=O)NNC(=O)c2cccc(C#N)c2)CCN1c1nccn2cnnc12 749449621 OTHBWZRBZMWXAV-CQSZACIVSA-N 419.449 -0.032 50 20 HBGD C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 755067386 ZKTOEVLADRKRPU-QWRGUYRKSA-N 406.457 -0.182 50 20 HBGD COc1cc(Br)cc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)c1 764424973 LMPZZJRKSAPIKQ-LLVKDONJSA-N 402.201 -0.041 50 20 HBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)N[C@H](C)[C@@H]1CN(C)CCO1 769953990 MOJOPZOEVJLKRS-YPMHNXCESA-N 412.516 -0.049 50 20 HBGD Cn1ncc2c(O)nc(NNC(=O)NCC3(NS(C)(=O)=O)CCCCC3)nc21 770341082 KSBZSZRLZSHQRL-UHFFFAOYSA-N 412.476 -0.053 50 20 HBGD CN(NC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C)C(N)=O 770436793 SUSRFYROUYLYMK-UHFFFAOYSA-N 424.483 -0.432 50 20 HBGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1cnn(-c2ccccn2)c1 784005414 ZWGLHOUYFVGKNT-UHFFFAOYSA-N 413.419 -0.155 50 20 HBGD CCOC(=O)CON=C(C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C)c1cc[nH]n1 792851508 XNYHNFMLTRPHKE-NSHDSACASA-N 401.445 -0.814 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CS(=O)(=O)NC(C)(C)C)c1 919688953 MISPRRRFYZHUEG-UHFFFAOYSA-N 420.513 -0.584 50 20 HBGD CSC[C@H](C(=O)NNC(=O)CN1CCCC1=O)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 920827430 TYOOIAHPCMBHES-RWMBFGLXSA-N 410.496 -0.337 50 20 HBGD CNC(=O)NNC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 1317973031 HFCKSSCAQLZJEJ-UHFFFAOYSA-N 424.483 -0.513 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCCS3(=O)=O)C[C@@H]21)[C@@H](O)CCl 1784093815 GMDNSRZVKQQNSK-HTVCTNPSSA-N 408.904 -0.857 50 20 HBGD Cc1nc(O)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)CCl)C[C@@H]32)nc1C 1785572440 SJTNERBUXIIYMB-FQUUOJAGSA-N 412.874 -0.008 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccncc3)C[C@@H]21)c1cccc(B(O)O)c1 1786984779 IMVQTEMDZFGYRQ-IHPCNDPISA-N 423.278 -0.403 50 20 HBGD COCC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)CC1 1793336993 QXBNFNYWROLBCZ-YWVIFJGQSA-N 417.466 -0.685 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2)c1cc(O)nc(O)n1 1796357961 XQDRWWUIOFTIPB-LRMGWDNHSA-N 419.207 -0.219 50 20 HBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCOC1)C2 1797754121 MHNAQHUVPSRTHN-VWPFQQQWSA-N 417.466 -0.685 50 20 HBGD CCOC(=O)N[C@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCC(=O)NN(C)C)C2 1798270372 BKDZDKFCIWSHHP-OQMKEHIESA-N 413.475 -0.938 50 20 HBGD N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c1 1798694010 QDBRGTFVOSFUFZ-JLVBRIDZSA-N 408.223 -0.917 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnn2c1OCCC2)c1cccc(B(O)O)c1 1800940832 NJSBXXTZMPXINR-BJWYYQGGSA-N 424.266 -0.089 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1813072754 FAZVMCJRCPWDFJ-QRWLVFNGSA-N 415.450 -0.452 50 20 HBGD O=C(c1cnc2ncccn12)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830727977 MHWWEIOGLJIWKC-RDTXWAMCSA-N 423.857 -0.601 50 20 HBGD C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)C1 1840183117 RTYPJGOWNBLTIZ-HXUWFJFHSA-N 408.499 -0.218 50 20 HBGD CC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCC(=O)NN(C)C)CCO2 1840183425 DOLQCEWLMXHHSR-LJQANCHMSA-N 412.487 -0.815 50 20 HBGD Cn1cc(CCC(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)cn1 1843033166 NLBGEEPEQODSPN-UHFFFAOYSA-N 411.466 -0.132 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)CN1CCCCC1=O)C2 1844265269 MLKHENBYIRNSIV-UHFFFAOYSA-N 414.466 -0.485 50 20 HBGD Cc1nc2ccccn2c1C(=O)NNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 18995048 SLLFFPWCAGJZJK-UHFFFAOYSA-N 409.449 -0.087 50 20 HBGD COCCN(C)CCNC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 727033407 RJXNKLZTAXEENZ-UHFFFAOYSA-N 415.516 -0.476 50 20 HBGD Cn1nc(Br)c2c(=O)n(CC(=O)NNC(=O)c3ccncc3)cnc21 727096657 SXULZHBBMXORBE-UHFFFAOYSA-N 406.200 -0.251 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 728510250 VFQMFCCQBMRRQR-ZCFIWIBFSA-N 400.822 -0.505 50 20 HBGD Cn1cc(C(=O)NNc2ccccc2S(=O)(=O)NC(C)(C)C)c(=O)n(C)c1=O 735116505 NVMAUUNJEZUHFA-UHFFFAOYSA-N 409.468 -0.082 50 20 HBGD CN(C)c1ccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 743828623 WHWPDTRPOPHLAA-UHFFFAOYSA-N 414.426 -0.647 50 20 HBGD CCn1nc(C(=O)NNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)c2ccccc2c1=O 746096849 NWXUXZUTQYGXLM-ZDUSSCGKSA-N 414.466 -0.413 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)Cn3cccnc3=O)cc2)CC1 748618777 HBJQEWGQKHCTDE-UHFFFAOYSA-N 406.468 -0.677 50 20 HBGD C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 755231974 WDAPBXADFHBEDX-ZYHUDNBSSA-N 421.472 -0.247 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2cccc(Cl)n2)n(C)c1=O 757606835 VDZFNSADNVBMRK-UHFFFAOYSA-N 406.790 -0.665 50 20 HBGD Cn1c(=O)n(C)c2cc(NC(=O)C(=O)NNC(=O)COc3ccccc3C#N)ccc21 763814525 WCHVPRGVMGNSSO-UHFFFAOYSA-N 422.401 -0.086 50 20 HBGD COC(=O)c1c(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)sc(C)c1C 764233388 WNCANQTVIKEGGF-SSDOTTSWSA-N 420.469 -0.825 50 20 HBGD Cc1ccccc1CC(=O)NNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 764411640 QLHHPTXJIUUUEX-UHFFFAOYSA-N 424.417 -0.731 50 20 HBGD C[C@@H](Oc1ccccc1)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765731915 SXNADFKGOHKEOO-LLVKDONJSA-N 400.395 -0.951 50 20 HBGD CC[C@@H](C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1c(C)noc1C 766646198 XMMIJKHPDYIJRL-LLVKDONJSA-N 417.426 -0.620 50 20 HBGD CCNS(=O)(=O)[C@@H]1CCN(CC(=O)NNC(=O)c2ccc(OC)c(OC)c2)C1 771468058 YGADDHLDHIRADC-CYBMUJFWSA-N 414.484 -0.522 50 20 HBGD Cc1c(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)nnn1-c1ccn(C)n1 814417193 ZVPDZJKOXSPKGU-UHFFFAOYSA-N 412.410 -0.003 50 20 HBGD CCc1ccccc1OCC(=O)NNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 914830131 YZODABARATWIJG-HUUCEWRRSA-N 423.491 -0.189 50 20 HBGD O=C(CCC(=O)N1CCc2sccc2C1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1317963150 JVTHMESVLKIDGX-GFCCVEGCSA-N 414.509 -0.070 50 20 HBGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)NCCN2CCNC(=O)C2)CC1 1320225625 LOPWKAZNRFGNFC-UHFFFAOYSA-N 412.491 -0.604 50 20 HBGD CN(C)S(=O)(=O)c1ccc(NNC(=O)C2(S(C)(=O)=O)CCOCC2)cc1 1343974609 NZEPPOAAIAZHAM-UHFFFAOYSA-N 405.498 -0.026 50 20 HBGD O=C1NC(=O)[C@@H](CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H](F)Cl)C2)N1 1778022518 OSOGRIGDWRZZTD-NKTGWMFESA-N 404.826 -0.367 50 20 HBGD CN[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1)C(=O)O 1781331462 QNCZKQQZMWSBTJ-UDZFHETQSA-N 410.240 -0.431 50 20 HBGD CC(C)(C)OC(=O)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1783395453 PVEMTGXJMXZBSL-SJKOYZFVSA-N 405.879 -0.059 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)C(Cl)Cl)C2)C1 1783946524 PEMXDZCVDRZDNA-INIZCTEOSA-N 416.265 -0.068 50 20 HBGD Cc1c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)cnn1C 1786186447 JLSCSZBGHGHYQH-XIRDDKMYSA-N 420.514 -0.305 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CC(F)(F)F)C[C@@H]21)c1ccc(B(O)O)cc1 1786979500 QHUSPTBCQCUNHH-QEJZJMRPSA-N 414.189 -0.088 50 20 HBGD Cc1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797750480 BBOFNZTWUWQWTL-ZSBFGKGUSA-N 424.461 -0.094 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1nc(N)n[nH]1 1798312419 FRDLFAJGWOXUEJ-CLLJXQQHSA-N 406.491 -0.669 50 20 HBGD Cc1cnn([C@@H](C)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)c1 1801343521 AKDUCPZDJFQERS-GGXPGOJBSA-N 420.514 -0.285 50 20 HBGD O=C(c1cc2cccnn2n1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830730720 CGYVRXFBFMXZNL-MAUKXSAKSA-N 423.857 -0.601 50 20 HBGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C=CCN1)CCO2 1836477666 CIVHVXHVXWUGDK-XJKSGUPXSA-N 402.289 -0.244 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1839150836 YVMFHSUGUAZYSL-IUIKQTSFSA-N 424.281 -0.213 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)CNS(=O)(=O)c1ccc(Cl)s1 725741833 WEYBEHBQZHMSHT-UHFFFAOYSA-N 420.856 -0.150 50 20 HBGD CS(=O)(=O)C[C@H]1CCCN(C(=O)NNC(=O)CNC(=O)c2cccs2)C1 725873348 MMWKUUURBAORQW-NSHDSACASA-N 402.498 -0.025 50 20 HBGD CCN1CCN(CC(=O)NNc2ccc(S(=O)(=O)C(F)F)cc2)C(=O)C1=O 728973082 YZQFSGXROZBORE-UHFFFAOYSA-N 404.395 -0.183 50 20 HBGD C[C@H](C(=O)OCC(=O)NNC(=O)c1cccs1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 745442117 VUQLUDZWDDSHGZ-DRDKAZGBSA-N 421.431 -0.397 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CC2(CS(C)(=O)=O)CC2)c1 746816810 VPWINXTUGMJNPN-UHFFFAOYSA-N 417.509 -0.087 50 20 HBGD O=C(NC1CC1)C(=O)N1CCN(C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)CC1 748335313 SMHXFIMZDAEWOW-OAHLLOKOSA-N 401.423 -0.846 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CNC(=O)c1ccccc1C(F)(F)F 758032047 ZGJWXJGINMJGGM-QMMMGPOBSA-N 410.374 -0.480 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2cccnc2)cc1 763732154 DGQAZRKSKYXVCH-UHFFFAOYSA-N 405.436 -0.203 50 20 HBGD CCc1ccc2c(c1)C(=NNC(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)C(=O)N2 764813252 WMMMZPUNQUMOFQ-UHFFFAOYSA-N 409.406 -0.531 50 20 HBGD CC[C@@H](Nc1ccccc1)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 766636861 POQXSQGPAGEZPK-CYBMUJFWSA-N 413.438 -0.528 50 20 HBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](C)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 772159533 JPBBVEPNKKCQPP-QUTRTJBFSA-N 409.439 -0.338 50 20 HBGD COc1cncc(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)n1 792337605 ZLDWTRDHWXWTRE-UHFFFAOYSA-N 407.456 -0.427 50 20 HBGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 793031348 QPDFDUHBBVLCTH-JTQLQIEISA-N 417.172 -0.141 50 20 HBGD C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)NCC(F)(F)F 798316107 UKAPRTYCMZNHCD-ZETCQYMHSA-N 411.362 -0.655 50 20 HBGD O=C(CN1CCC(C(=O)N2CCOCC2)CC1)NNC(=O)c1cccc([N+](=O)[O-])c1 916150631 WKRIKMQAFBJNBJ-UHFFFAOYSA-N 419.438 -0.073 50 20 HBGD Cn1cnc(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)n1 1116440896 XJPIZAUQEDVMDU-UHFFFAOYSA-N 407.456 -0.256 50 20 HBGD Cc1n[nH]c(C)c1C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1779391303 QWNXELYGICMGKV-FQEVSTJZSA-N 412.255 -0.536 50 20 HBGD Cc1n[nH]c(C)c1CC(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1781433350 VMGQVGNODQHIPC-HXUWFJFHSA-N 420.514 -0.228 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CCO2 1783936124 DLOCZGWOARTOQQ-DICRZQGBSA-N 408.499 -0.243 50 20 HBGD C=CCC(F)(F)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795736795 KNKLMHRGGAXJOF-MIFYACCESA-N 408.210 -0.219 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)C=CC1=O)C2)[C@H](F)Br 1799352000 HPMVVNCEOIVONT-WAYYCVMKSA-N 418.219 -0.809 50 20 HBGD Cc1ncncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801011878 OUBRMZZAOVINLH-ZSBFGKGUSA-N 404.471 -0.639 50 20 HBGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C)n1cccn1 1801012088 BPNSTTPBNCUJFO-ZXFNITATSA-N 406.487 -0.593 50 20 HBGD C[C@]1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)CC1(F)F 1802002863 OCMRQNDQFOPXJL-MSNRECKUSA-N 423.420 -0.066 50 20 HBGD CN[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2)C(=O)O 1830358463 BZODWJHBHRTUFC-SCLBCKFNSA-N 419.906 -0.230 50 20 HBGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@H](NC)C(=O)O)CCO2)C1 1835752926 WTDOHHVTFBPIKO-SUNYJGFJSA-N 419.906 -0.087 50 20 HBGD CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)no1 1838121749 FVPMBTNPZDLCFV-WMLDXEAASA-N 401.847 -0.093 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1839150839 YVMFHSUGUAZYSL-XZJROXQQSA-N 424.281 -0.213 50 20 HBGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)Cn1nccn1)CCO2 1839235056 OFEZADOBBGFWCN-OAHLLOKOSA-N 416.276 -0.481 50 20 HBGD C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1839807840 NKOLJLXZSGNTLO-ORTNRGLGSA-N 401.423 -0.790 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc(C)[nH]n3)C2)C1 1840153372 MEKHDNYPJPFQEN-YJBOKZPZSA-N 414.890 -0.029 50 20 HBGD CC(=O)N[C@H](C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1)C(C)(C)C 1843010528 YCNFFDIHMVOBEO-QGZVFWFLSA-N 415.299 -0.266 50 20 HBGD CCCC(=O)N[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1844359781 PLUONMSFOUMNPB-AWEZNQCLSA-N 401.272 -0.512 50 20 HBGD C[C@@H](C(=O)N(C)CC(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1)n1cccn1 744842702 OXHWQXRXZWATGC-ZDUSSCGKSA-N 412.406 -0.221 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1C 758034584 HMYOXEJSNORHOU-GFCCVEGCSA-N 420.513 -0.991 50 20 HBGD CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCC(=O)NNC(=O)C(=O)NC1CC1 760802635 YZIZGSRBXSDOQZ-GFCCVEGCSA-N 411.459 -0.682 50 20 HBGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 763852318 WNUOLXBZSNFPMN-LLVKDONJSA-N 420.401 -0.336 50 20 HBGD COc1cc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc2c1OCO2 764812436 LAILIPZVUYJQMO-UHFFFAOYSA-N 414.378 -0.679 50 20 HBGD C[C@@H]1CCC[C@H](OCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1 766641339 XMZYDQPKBPRVET-NEPJUHHUSA-N 406.443 -0.824 50 20 HBGD Cc1cnn(Cc2ccccc2F)c1NC(=O)C(=O)NNC(=O)[C@H]1COCCO1 769264831 GWBUJXDSSMYKAG-CQSZACIVSA-N 405.386 -0.120 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCNC(=O)c2cc[nH]n2)c1 780879036 NUCNNIGSUWWQRD-UHFFFAOYSA-N 423.455 -0.966 50 20 HBGD C[C@]1(CCCC(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)NC(=O)NC1=O 801433358 ISIVFNYSNFMXTR-GOSISDBHSA-N 401.379 -0.369 50 20 HBGD Cn1ncc2cc(S(=O)(=O)NNC(=O)c3csc(N4CCOCC4)n3)cnc21 1116657868 DKEWZZWNMNWTDL-UHFFFAOYSA-N 423.480 -0.115 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2C[C@@H](O)C2)C1 1778762435 XOFJJCXZKSAOKI-LNNXQNCSSA-N 416.283 -0.735 50 20 HBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](F)Cl)CCO2)C1 1779067257 BAIYLQJTASWGEF-ZENOOKHLSA-N 408.810 -0.155 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2 1783935795 WXDNKCPQXFITKH-GOSISDBHSA-N 422.442 -0.261 50 20 HBGD CC[C@H](C)[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786982660 CFQGPHVUMBKIMK-LEYVVWKUSA-N 418.299 -0.633 50 20 HBGD Cc1ncsc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1794800716 AFPVVSFVEGTXGZ-MIFYACCESA-N 415.280 -0.352 50 20 HBGD Cc1oncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1794827980 DASJOPBBRAQRCT-DRXBFXEBSA-N 414.422 -0.501 50 20 HBGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)C=CC1=O)C2 1800970542 FQDSECNHCXMWNH-IPJQOSJUSA-N 413.858 -0.855 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[C@H]1CCCS1 1801564875 RMDZWEMVHDXHBQ-YALNPMBYSA-N 404.297 -0.535 50 20 HBGD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1)[C@H](O)CCl 1803147630 XSSKIZPMSSDZDD-IYOUNJFTSA-N 420.853 -0.388 50 20 HBGD O=C([C@H](O)N1CCOCC1)N1CCC2(CCCN(C(=O)[C@@H](O)CCl)C2)CC1 1805522692 KGRQNYBPEUZSTK-YOEHRIQHSA-N 403.907 -0.532 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccnc3)CCO2)C1 1834389829 SCGYNKSVMABQLR-YOEHRIQHSA-N 400.863 -0.407 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC3(F)F)C2)C1 1835937471 YQLKCHHAXITDNR-CRAIPNDOSA-N 424.209 -0.908 50 20 HBGD O=C1C[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H](F)Br)CCO3)C2)CN1 1839202752 OVENVUIQDXJBSZ-JVLSTEMRSA-N 422.251 -0.731 50 20 HBGD O=C(C1CCC(O)CC1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840273195 ONBILFQQUYAKRP-HNFMNYKYSA-N 404.891 -0.406 50 20 HBGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(S(N)(=O)=O)s2)c1 729315812 CDQNUEIGSCKMOR-UHFFFAOYSA-N 403.463 -0.126 50 20 HBGD O=C(COCc1ccccc1)NNC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 738497252 PSBKWGXXMDQMGQ-UHFFFAOYSA-N 417.466 -0.289 50 20 HBGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)c2cccc(CS(N)(=O)=O)c2)c1 749730445 LZUSESKAEDJXKX-UHFFFAOYSA-N 411.461 -0.047 50 20 HBGD CCOc1ccc(N2C[C@H](C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)CC2=O)cc1 758036756 VALMPZSOXGHIFA-NWDGAFQWSA-N 412.468 -0.477 50 20 HBGD Cn1cc(S(=O)(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)cc1C(N)=O 763438637 CICWBOMVJIIJSU-UHFFFAOYSA-N 403.461 -0.262 50 20 HBGD CCS(=O)(=O)c1cccc(CC(=O)NNC(=O)CNC(=O)c2cccnc2)c1 763762930 GLOFXZIEOPBYSP-UHFFFAOYSA-N 404.448 -0.005 50 20 HBGD CCn1c(=O)c2ccccc2n(CC(=O)NNC(=O)CNC(=O)c2cccnc2)c1=O 763825594 RTMCRUBFEHVTFX-UHFFFAOYSA-N 424.417 -0.845 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc2c(c1)nc(C1CC1)n2C 764228247 WNGHVLZVEAKLSK-SECBINFHSA-N 422.467 -0.526 50 20 HBGD O=C(COC(=O)CNC(=O)c1cccnc1)NNC(=O)[C@H]1COc2ccccc2O1 767616205 VZYVYAQKBHTYTN-OAHLLOKOSA-N 414.374 -0.658 50 20 HBGD O=C(c1cccn2c(O)nnc12)N1CCN(S(=O)(=O)CBr)CC1 781018113 RQTULPQEZLJACL-UHFFFAOYSA-N 404.246 -0.125 50 20 HBGD Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1CCC(=O)NNC(=O)CN(C)C 781921773 XNBBSKDCYUZNFW-UHFFFAOYSA-N 422.511 -0.222 50 20 HBGD COCCn1cc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c(C)n1 782412342 QNXODLYORSYYIV-MRXNPFEDSA-N 418.406 -0.018 50 20 HBGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NNc1ccc(-n2ccnc2)nn1 788177617 HQTURXMFHVTTNR-LLVKDONJSA-N 419.471 -0.177 50 20 HBGD COCCNS(=O)(=O)c1ccc(C)c(C(=O)NNC(=O)CN2CCCC2=O)c1 789857604 IUADBVRBSLQHEB-UHFFFAOYSA-N 412.468 -0.697 50 20 HBGD C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNc1nc2ccccn2n1 791259609 XLKDFLAVRCNURI-SNVBAGLBSA-N 403.424 -0.362 50 20 HBGD CN1CCN(CCNC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CC1(C)C 799353689 TZXGRGZNJZVASZ-UHFFFAOYSA-N 401.475 -0.368 50 20 HBGD CCC[C@@H](C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccn1 807092150 STKDPCUDGNXPHZ-GFCCVEGCSA-N 413.438 -0.440 50 20 HBGD CSCC[C@@H](NC(=O)c1ccco1)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1317732109 FBNPLJKEPWEFLK-GHMZBOCLSA-N 403.482 -0.287 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCCCC3=O)C2)C1 1783758167 RZEHRMYDZBLBSS-HXUWFJFHSA-N 423.514 -0.798 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](COC)NC(C)=O)CCO2 1783877895 RJKJHLQMNASLTI-VBQJREDUSA-N 405.879 -0.779 50 20 HBGD CC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984788 JUXXFAJABKWTSI-HJWJTTGWSA-N 408.691 -0.023 50 20 HBGD Cc1[nH]ccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1787685847 MISLGAIWTWVNBN-SNRMKQJTSA-N 411.267 -0.090 50 20 HBGD CCCC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1788740105 YFUKMSKOPASHFD-YTFOTSKYSA-N 403.907 -0.129 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(OCF)cn1)C2)[C@H](O)CCl 1792976224 QDBXEHMGCVXJNM-IQOUGMIPSA-N 402.810 -0.415 50 20 HBGD COC[C@@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCS(=O)(=O)CC1 1794092521 KWVRUKKLMXMMOG-LXTVHRRPSA-N 421.947 -0.391 50 20 HBGD COc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)n(C)n1 1794651660 OBPJUWKOFYJRPE-MUJYYYPQSA-N 412.255 -0.326 50 20 HBGD C[C@H](CC(N)=O)C(=O)N1CCCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1 1806129855 KPOGGOLRZWFNMQ-OAHLLOKOSA-N 415.299 -0.277 50 20 HBGD CC(=O)N[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809980239 PYCALLQUBNDOSL-HNNXBMFYSA-N 415.299 -0.264 50 20 HBGD O=C1NC(=O)[C@H](CC(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@H](O)CCl)n[nH]2)N1 1814868170 WUUCKLLDUSJKAX-GARJFASQSA-N 412.834 -0.400 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1837715998 WALJQWUTRQZUDM-RDTXWAMCSA-N 413.547 -0.570 50 20 HBGD Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)no1 1840366779 UGDJHFFVGFXMTJ-PBHICJAKSA-N 401.847 -0.418 50 20 HBGD O=C(c1cc(=O)n2[nH]cnc2n1)N1CC2(CCCN2C(=O)[C@@H](F)Br)C1 1845217162 ILQBCVKCFZFTLS-SNVBAGLBSA-N 413.207 -0.075 50 20 HBGD COc1cc(CCC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc(OC)c1OC 729276019 VNIONOGXLWRSPC-JTQLQIEISA-N 403.457 -0.270 50 20 HBGD Cc1cc(C)n(CC(=O)NNC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)n1 732473804 BOQJUZBLBUPIBW-AWEZNQCLSA-N 416.504 -0.681 50 20 HBGD N#Cc1ccc(OCC(=O)NNC(=O)N[C@H]2CCN(CCN3CCOCC3)C2)cc1 734686603 RGEKGBFUMUWMKK-KRWDZBQOSA-N 416.482 -0.326 50 20 HBGD COC(=O)c1cn(CC(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)nn1 747347837 HZDRRPOSXHUNBQ-UHFFFAOYSA-N 409.428 -0.873 50 20 HBGD COC(=O)/C=C\c1ccc(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 747607690 BSUJVGSKRWWBKL-DJFZKKHWSA-N 417.465 -0.448 50 20 HBGD C=CCN1C(=O)C(=O)N(CC(=O)NNC(=O)c2ccc(CN(CC)CC)o2)C1=O 748568171 UDMXFCOLSWLCCC-UHFFFAOYSA-N 405.411 -0.141 50 20 HBGD CC(=O)N[C@H](CC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1c(F)cccc1F 758031344 WAVGRUFRDSWKKI-PRHODGIISA-N 406.411 -0.383 50 20 HBGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1 763662584 KGDDBLZPKCLJTL-UHFFFAOYSA-N 422.419 -0.493 50 20 HBGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(F)c(-n3nnnc3C)c2)n1 763892597 FZEFZEDAAZEOEQ-UHFFFAOYSA-N 415.389 -0.291 50 20 HBGD Cc1nc2ccccc2cc1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765731905 SQKAHLMYANCKRI-UHFFFAOYSA-N 421.417 -0.248 50 20 HBGD CCC(=O)N1CC[C@H](C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)C1 773068879 LICJLTMQULXEOA-KRWDZBQOSA-N 415.494 -0.150 50 20 HBGD Cc1nn(CC(C)C)c(C)c1S(=O)(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 783815311 DYZGEYKAPQPNKC-LBPRGKRZSA-N 407.518 -0.164 50 20 HBGD CN(C)S(=O)(=O)[C@@H]1CCCN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1 796122402 DRWDBOHKQKVZLM-CQSZACIVSA-N 413.456 -0.288 50 20 HBGD CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)N=c2cc[nH]cc2)cc1 802026111 MMDJLQLQNCYPKV-UHFFFAOYSA-N 421.435 -0.189 50 20 HBGD CN(C)c1c(C=NNC(=O)c2nn(C)c(=O)c3ccccc23)c(=O)n(C)c(=O)n1C 807953630 XFBPLFFENSSGRG-UHFFFAOYSA-N 411.422 -0.839 50 20 HBGD CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NNC(=O)CNC(=O)c1cccnc1 810572727 VUTYTEWQLHXULT-OAHLLOKOSA-N 415.454 -0.545 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2ccccc2-n2cncn2)n(C)c1=O 814876968 GSERSVWBHCISOX-UHFFFAOYSA-N 407.394 -0.835 50 20 HBGD Cc1ccc2nc(C(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)ccc2c1 815827055 KKBWWXAZQNRVSR-UHFFFAOYSA-N 421.417 -0.248 50 20 HBGD Cn1nc(SCC(=O)NN=C2CCN(CC(F)(F)F)CC2)c(=O)n(C)c1=O 915958767 VICCBYJHYNDMCL-UHFFFAOYSA-N 408.406 -0.299 50 20 HBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1 920016930 ANXWFXIMBQJWMB-XMELGKRDSA-N 415.450 -0.538 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)[C@H]3CCC=CO3)C2)C1 1778984775 OKKBTYIAXMJPNY-XLIONFOSSA-N 400.240 -0.497 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CC1(F)F)CCO2 1779031790 FTRVBXDEYPPHFR-SUMWQHHRSA-N 409.393 -0.216 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3ccncc3O)C2)C1 1779407614 WMMJVSWCPZKILP-FQEVSTJZSA-N 411.223 -0.776 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)[C@H]1CCC=CO1 1788581822 ZAHAHLCWLYKYDF-KANFNMMFSA-N 414.267 -0.348 50 20 HBGD C/C(=C/C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1)C(=O)O 1791292257 MCIWQUNXOSIIQU-HWGCVREFSA-N 410.471 -0.630 50 20 HBGD Cc1n[nH]c(C)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795740334 UTSHBJVIWSNBBB-JLVBRIDZSA-N 412.255 -0.777 50 20 HBGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cnnn1 1795861018 QZUNNSXAYNDKST-LSCVPOLPSA-N 401.265 -0.564 50 20 HBGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccncc1=O 1800199438 TUAOGFRGQDEZOU-MCYUEQNJSA-N 413.272 -0.384 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCCC2(CCN(C(=O)c3cnc(O)[nH]3)CC2)C1 1809977590 IAYMLFDGLMFGEC-UHFFFAOYSA-N 412.255 -0.046 50 20 HBGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1C[C@@H](O)C1)CC2)c1cccc(B(O)O)c1 1815356311 BOZYUNZPSVLGKC-BNOWGMLFSA-N 415.280 -0.180 50 20 HBGD C[C@H](CC(N)=O)C(=O)N[C@@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826083494 OJSSODNVNGIUGI-GHMZBOCLSA-N 424.527 -0.060 50 20 HBGD CC(=O)O[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1)C(C)C 1830731186 IKNSZYJBXBKURE-RVKKMQEKSA-N 420.890 -0.370 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC3(F)F)C2)C1 1835930561 NGLVTOUCYGOKKU-MAUKXSAKSA-N 424.209 -0.908 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCOC3=O)C2)C1 1839141917 XTANPYBBUFKHQZ-DYVFJYSZSA-N 403.863 -0.088 50 20 HBGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)COCCO)CCO2)C1 1839195217 HPSYPCDCBNOZQF-XJKSGUPXSA-N 423.304 -0.375 50 20 HBGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=N)N)C2)C1 1839963863 ZAMNPFUPAZCTKD-NHYWBVRUSA-N 420.308 -0.901 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3=COCCC3)C2)C1 1840185194 MFNNOZJRZBUNPR-FQEVSTJZSA-N 424.498 -0.490 50 20 HBGD CCOC(CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1)OCC 1840280231 ZZIRDTVWPXCXFO-KSSFIOAISA-N 422.906 -0.168 50 20 HBGD C[C@H](CS(C)(=O)=O)C(=O)N1CCCC12CN(C(=O)CCC(=O)NN(C)C)C2 1841620114 VBEIDRMIYVNWIP-CYBMUJFWSA-N 402.517 -0.757 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)C[C@@H](N)c2cccnc2)C1 1842976324 JCMDHKXFHWFDTJ-QGZVFWFLSA-N 423.477 -0.013 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1cnn3cccnc13)C2 1844264374 LUTQLDCTPYTCCV-UHFFFAOYSA-N 420.433 -0.141 50 20 HBGD COCCOCCOCCOCC(=O)N1CCCC12CN(C(=O)[C@H](O)CCl)C2 1846256019 JRVRFZYCVDYJPB-OAHLLOKOSA-N 422.906 -0.514 50 20 HBGD COc1ccc(C(=O)NNC(=O)C(=O)NC2CC2)cc1S(=O)(=O)NC(C)(C)C 9889433 BMYXTXJBLWKHRB-UHFFFAOYSA-N 412.468 -0.188 50 20 HBGD COc1ccccc1CC(=O)NNC(=O)N[C@H]1CCN(CCN2CCOCC2)C1 734686837 WKRSTTWKAJFTPX-KRWDZBQOSA-N 405.499 -0.025 50 20 HBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)OC)c1 740851567 LVBHUXXTNIPVCB-UHFFFAOYSA-N 400.457 -0.066 50 20 HBGD COCCCNC(=O)NNC(=O)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 746168844 SXFOMFDBGPYYEW-OAHLLOKOSA-N 418.454 -0.097 50 20 HBGD Cc1nc(S(=O)(=O)NCC(=O)NNC(=O)c2cc(Br)c[nH]2)cn1C 750663474 OFHITTMPENOEFZ-UHFFFAOYSA-N 419.261 -0.441 50 20 HBGD Cc1noc(C2CC2)c1NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 767894310 HPYJJZNHQYWVKP-UHFFFAOYSA-N 416.398 -0.540 50 20 HBGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)c2ccc(S(N)(=O)=O)cc2F)cc1 769856624 CTKMZHAAXGDUAS-UHFFFAOYSA-N 420.378 -0.037 50 20 HBGD CN(NC(=O)CN1CCC(=O)NC1=O)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 776206173 QKNHCEIZSWNOMH-UHFFFAOYSA-N 412.447 -0.436 50 20 HBGD CNS(=O)(=O)CCNC(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12 784657934 KQVXTNRIXLRKBY-UHFFFAOYSA-N 410.456 -0.529 50 20 HBGD Cn1nc(C(=O)NNC(=O)c2ccc3c(c2)NC(=O)CNC3=O)c2ccccc2c1=O 814215730 USNUBZOXIVOJMX-UHFFFAOYSA-N 420.385 -0.310 50 20 HBGD COCC(=O)NCCC(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 1322179718 UWKDWSQXOTZVSF-UHFFFAOYSA-N 400.457 -0.697 50 20 HBGD COCCS(=O)(=O)c1ccc(CNC(=O)NN[C@]2(C)CCS(=O)(=O)C2)cc1 1339041952 YXLYWRBRBAVCRQ-MRXNPFEDSA-N 419.525 -0.012 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCCO3)C2)C1 1783484774 UYIGLYVXFUSSKP-KXBFYZLASA-N 403.439 -0.692 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)nc(O)n3)CCO2)C1 1783875321 LUBOGPDFYZGSID-HWPZZCPQSA-N 400.819 -0.415 50 20 HBGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCNC(=O)C3)C[C@@H]21 1791257689 OOYWXIOLAKHINM-FQKPHLNHSA-N 401.891 -0.254 50 20 HBGD C[C@@](O)(C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)C(F)(F)F 1796189967 OGKZUBYEDAJGNU-UMPJEAMMSA-N 414.189 -0.069 50 20 HBGD CC[C@@H](NC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796440582 SBJFRACGTYPGQE-WJYJWUEYSA-N 418.498 -0.292 50 20 HBGD CCNC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](Cl)COC)C2 1797698052 WLLIIRDACVNZAO-QNSTZXKLSA-N 404.895 -0.463 50 20 HBGD C[C@@H](Br)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CC(=O)NC1=O)C2 1801958981 MVQWUCIOJQNNTE-CHWFTXMASA-N 401.261 -0.040 50 20 HBGD CN1CCN(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)[C@H](O)CCl)CC3)CC1 1818794365 MFBPRCXZPAVEGR-DGCLKSJQSA-N 415.947 -0.098 50 20 HBGD Cc1noc(C)c1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830726829 UDZBOOVIZIUKBN-QAPCUYQASA-N 415.874 -0.110 50 20 HBGD O=C1C[C@@H](C(=O)N2CCC(N3CCC(NC(=O)[C@@H](O)CCl)CC3)CC2)CN1 1833312227 LUCRDAADWOEPLK-DOMZBBRYSA-N 400.907 -0.706 50 20 HBGD O=C(O)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Cl)C3)C2)ncn1 1833492674 RWBFXNOVGILLLL-WBMJQRKESA-N 416.793 -0.221 50 20 HBGD O=C(c1cncc(F)c1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1834352653 HLSVGGIRKMNZCI-PBHICJAKSA-N 401.822 -0.110 50 20 HBGD O=C(NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)c1c[nH]c(=O)cn1 1836138798 UBDIDQJWJVVHCN-HNNXBMFYSA-N 411.890 -0.445 50 20 HBGD CC(=O)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CO[Si](C)(C)C)CCO2 1837715979 USZUKNGMYWCZEN-GOSISDBHSA-N 415.563 -0.180 50 20 HBGD O=C(Cn1nccn1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839201987 PNNALMDFZMUYFM-JSGCOSHPSA-N 420.239 -0.575 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 1840155699 GTXDQXJCODSOLU-QWQRMKEZSA-N 417.890 -0.777 50 20 HBGD O=C([C@@H]1CCc2nc(O)nc(O)c2C1)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841350192 MWTDWYIBHSIAAF-ZWNOBZJWSA-N 410.858 -0.204 50 20 HBGD Cn1nc2c(c1C(=O)N1CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C1)CCC2 1843014864 JYAYKQBADJQEAR-UHFFFAOYSA-N 408.267 -0.281 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2nc3ncccn3n2)C1 1843720068 XGCKNGKDPQKFBC-UHFFFAOYSA-N 400.443 -0.686 50 20 HBGD CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)NNC(=O)C(=O)N2CCCC2)C1 728713399 BJSVQDPHMFLLHI-HNNXBMFYSA-N 401.423 -0.046 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CNC(=O)Cc1cccc2ccccc12 729274689 ADUDXLLGWRUNCO-LBPRGKRZSA-N 406.464 -0.416 50 20 HBGD Cn1c(=O)c2c(ncn2CCC(=O)NNC(=O)Cc2ccccc2F)n(C)c1=O 731328534 QDGUORJHBZKBNL-UHFFFAOYSA-N 402.386 -0.647 50 20 HBGD Cc1cc(C)n(CC(=O)NNC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)n1 741207183 JWDGJLNRJGDZNP-UHFFFAOYSA-N 408.459 -0.273 50 20 HBGD CCOC(=O)C(C)(C)n1cc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cn1 757719490 AFMVTQVCQDEOAZ-SECBINFHSA-N 404.449 -0.728 50 20 HBGD Cc1ccccc1-c1cc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)n(C)n1 764231717 PELFGBKIIGTCCL-NSHDSACASA-N 422.467 -0.581 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CCc2ccc3[nH]ccc3c2)n(C)c1=O 775780759 PRZCWDDZMUGKEE-UHFFFAOYSA-N 423.433 -0.305 50 20 HBGD C[C@@H]1CN(CCC(=O)NNC(=O)c2cc(S(=O)(=O)N(C)C)cn2C)C[C@@H](C)O1 779158687 PJYQTWJLUGKTQH-CHWSQXEVSA-N 415.516 -0.464 50 20 HBGD COCn1nccc1S(=O)(=O)N1CCN(S(=O)(=O)CBr)CC1 795158103 YHNNRKHPAJFGAC-UHFFFAOYSA-N 417.307 -0.525 50 20 HBGD O=C(COC(=O)c1ccc(-n2cnnn2)cc1)NNC(=O)[C@H]1COc2ccccc2O1 848979297 LYMFYWFGLFYFQS-MRXNPFEDSA-N 424.373 -0.194 50 20 HBGD CN(C)CCOc1ccc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)cc1 915958653 PPVGJOWOWYVLNB-UHFFFAOYSA-N 420.495 -0.338 50 20 HBGD O=C(CNC(=O)c1c(F)cccc1Cl)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1338112533 NRDNFGQAHWAJPQ-MRVPVSSYSA-N 406.823 -0.274 50 20 HBGD CC(=O)N(C)[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2 1778098203 DHPZAWQUEINPDS-MJXUCMMTSA-N 403.907 -0.033 50 20 HBGD C[C@@H](CN)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779373422 PYUDZSVQRWUWOR-GQWAEJPESA-N 418.498 -0.593 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CCOC2)C1 1782699657 YKDSINOATOZPLQ-RZQQEMMASA-N 410.515 -0.090 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CC3(O)CCC3)C[C@@H]21)c1ccc(B(O)O)cc1 1786982181 QLADVJOVRJPWTQ-SZMVWBNQSA-N 416.283 -0.735 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)[C@H]1CCCS1 1791801149 GVQZWUMYNLRTSK-LEUOFYLZSA-N 418.324 -0.145 50 20 HBGD COC[C@@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2 1797965144 JRHBGAPZOLRKFO-QVHKTLOISA-N 420.304 -0.488 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc[n+]([O-])c1)C2 1798440601 DQEMEBQPEMOLQQ-QDMKHBRRSA-N 410.434 -0.116 50 20 HBGD CN(C)C(=O)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1806940945 WHYQEBLJKMVXEB-WMZOPIPTSA-N 424.266 -0.831 50 20 HBGD C[C@H](NC=O)C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807372228 BYNXODGKAUHMTP-FNHZYXHNSA-N 424.266 -0.785 50 20 HBGD CS(=O)(=O)CC(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809976604 JQIGCODXALORPQ-UHFFFAOYSA-N 422.312 -0.744 50 20 HBGD O=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)=NN1 1819339803 CXQKOGYPUVVOHV-OAHLLOKOSA-N 424.226 -0.729 50 20 HBGD NC(=O)NCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827059613 DTOMBYVIYJYBLP-QGZVFWFLSA-N 416.287 -0.732 50 20 HBGD COc1nccnc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830726142 WSBUTJVMGDCMRZ-PXAZEXFGSA-N 414.846 -0.845 50 20 HBGD O=C(c1cnc2ncccn12)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830727975 MHWWEIOGLJIWKC-KDOFPFPSSA-N 423.857 -0.601 50 20 HBGD C[C@H](Cn1ccnc1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830737299 GSKCCTPDZQWGJB-VKJFTORMSA-N 414.890 -0.425 50 20 HBGD C[C@H](CN)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1834658031 UBCALYUUCUMXHK-OAHLLOKOSA-N 416.331 -0.854 50 20 HBGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1836214343 ONLZHISSGLRHBJ-WFASDCNBSA-N 416.276 -0.482 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1840035675 ZWADFVUSBXYIAV-HWWQOWPSSA-N 418.288 -0.638 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCN3C)C2)C1 1840149909 AXMLRXWNLRVEPL-RVKKMQEKSA-N 403.907 -0.209 50 20 HBGD CC/C=C(\C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840629745 IYAFQRQJJINUAT-FFWACIGYSA-N 416.283 -0.207 50 20 HBGD CCNC(=O)N[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1844230199 UYTKAAFKYYNQAE-LBPRGKRZSA-N 417.470 -0.790 50 20 HBGD Cn1c(=O)c2c(ncn2CCC(=O)NNC(=O)Cc2c[nH]c3ccccc23)n(C)c1=O 16205708 QRQUTJVZPXWOJP-UHFFFAOYSA-N 423.433 -0.305 50 20 HBGD Cc1nc(S(=O)(=O)NCCC(=O)NNC(=O)COCc2ccccc2)cn1C 737923713 VFQPYVAPELFKFS-UHFFFAOYSA-N 409.468 -0.239 50 20 HBGD CCC(=O)N1CC[C@@H](C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)C1 746293297 GSQLLBFMCHVWDT-CQSZACIVSA-N 424.527 -0.281 50 20 HBGD CCOc1ccc(C(=O)NCC(=O)NNC(=O)C(=O)N2CCCC2)cc1OCC 748343823 UCYZJGRAJRLTIP-UHFFFAOYSA-N 406.439 -0.016 50 20 HBGD COc1ccc([C@@H](CC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)NC(C)=O)cc1 758035006 JEQDGPRFFOZHND-IINYFYTJSA-N 400.457 -0.652 50 20 HBGD CCN(CC)S(=O)(=O)c1cc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)n(C)c1 758309832 KCPZBEDSVCCANQ-LLVKDONJSA-N 420.513 -0.749 50 20 HBGD CC(C)(NS(C)(=O)=O)C(=O)N1CCN(S(=O)(=O)CBr)CC1 758513840 UZSNWBZPTJOTKH-UHFFFAOYSA-N 406.324 -0.859 50 20 HBGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)C(=O)Nc1ccc2c(c1)C(=O)NCC2 763571401 IPCRZDFVIREHEL-MRXNPFEDSA-N 410.386 -0.102 50 20 HBGD CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NNc2nccnc2OC)c1 764459904 FRLXPZUCPXGFPT-UHFFFAOYSA-N 410.456 -0.179 50 20 HBGD COc1cc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)ccc1OC(C)C 768240137 SLCFGPJXXCTAHX-SNVBAGLBSA-N 416.456 -0.494 50 20 HBGD CCOC(=O)c1c(NC(=O)NNC(=O)[C@H]2COCCO2)c(C#N)cn1CCOC 775766140 UOLKOCWYZLTKFE-GFCCVEGCSA-N 409.399 -0.249 50 20 HBGD Cn1c(=O)c2cc(C(=O)NNc3cccc(S(C)(=O)=O)c3)n(C)c2n(C)c1=O 776526460 GIXNOCJBTLOPAK-UHFFFAOYSA-N 405.436 -0.264 50 20 HBGD CN(C)CCCOc1ccc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)cc1 783998573 CAXWLBFNYKKRMZ-UHFFFAOYSA-N 405.455 -0.275 50 20 HBGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1cc(Cl)cc2c1OCC(=O)N2 806979470 WGNJALKLEVDFGX-MRVPVSSYSA-N 414.802 -0.192 50 20 HBGD O=C(Cc1nn2c(C3CCCCC3)nnc2s1)NN=C1C(=O)NC(=O)NC1=O 814214740 HVIQNTPUKBFBOM-UHFFFAOYSA-N 404.412 -0.386 50 20 HBGD CCn1nc(C(=O)NNC(=O)[C@@H]2CC(=O)N(CCOC)C2)c2ccccc2c1=O 914457205 OEXZERGOVFKBCR-GFCCVEGCSA-N 401.423 -0.328 50 20 HBGD Cc1cc(=O)oc2cc(OCC(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)ccc12 919885875 OOVQYAMTSWHTLJ-NSHDSACASA-N 409.420 -0.002 50 20 HBGD COCCN1C(=O)c2ccc(C(=O)NNc3nccn(C)c3=O)cc2S1(=O)=O 1116199802 IDFUDVDKAYHQAW-UHFFFAOYSA-N 407.408 -0.672 50 20 HBGD O=C(Cn1nc2n(c1=O)CCCCC2)NNC(=O)C1CCN(c2ncccn2)CC1 1318252815 CUKFOQKOESRCJD-UHFFFAOYSA-N 414.470 -0.375 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccns3)CCO2)C1 1779028386 KLQCLIKROYWKJM-SFHVURJKSA-N 416.463 -0.101 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cncc(O)c3)C2)C1 1783618717 VGEDJZDLDILGLG-HXUWFJFHSA-N 411.223 -0.776 50 20 HBGD CCC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H]3NC(=O)NC3=O)C[C@@H]21 1784616382 SFTKVQJQSSLEKY-QNSTZXKLSA-N 414.890 -0.028 50 20 HBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCOC3)C[C@@H]21 1788611256 QMVRGLWZUSWKFA-PYTWLRIVSA-N 417.466 -0.685 50 20 HBGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Cl)C2)[C@H]1SC(=N)NC1=O 1796422980 GRLLLDZVVYXHKC-ALMWHKAHSA-N 406.867 -0.087 50 20 HBGD Cc1ccnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)c1 1801011153 IYFFLTPGRJUTSP-CCWDJLKJSA-N 403.483 -0.034 50 20 HBGD O=C(CCn1cncn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2 1801262607 NOEDSNWQYCBLBE-LYIQGSDWSA-N 404.240 -0.052 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCCOC1 1802072987 IITPWJITMCMJLF-VWPFQQQWSA-N 417.466 -0.685 50 20 HBGD CC(C)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)CCC(N)=O)C2)C1 1830359334 NFBXJUVSGBTYMV-UGSOOPFHSA-N 418.922 -0.699 50 20 HBGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)COCCO)C2)C1 1830543702 ZELMISOESLENRO-CJNGLKHVSA-N 423.304 -0.517 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cnccn3)CCO2)C1 1830970148 VHWRNSVWKWCZCF-QAPCUYQASA-N 412.874 -0.271 50 20 HBGD O=C1NC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)O1 1831573702 RDMLMUNQYZENIL-BHDSKKPTSA-N 424.223 -0.758 50 20 HBGD CO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798815 BCOQCDXWTWCZMT-OAHLLOKOSA-N 417.315 -0.414 50 20 HBGD N=C1NCCN1CC(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836716850 UZENNERHJJKMGK-HNNXBMFYSA-N 415.922 -0.575 50 20 HBGD CC(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839202939 UREUHXIMSUHQCJ-GXTWGEPZSA-N 410.240 -0.731 50 20 HBGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cncn3)C2)C1 1840032382 WZZYCXXFKXMKJJ-IUODEOHRSA-N 416.276 -0.482 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn(C)cn3)C2)C1 1840150024 DVTQOCVVVPDEAU-DYVFJYSZSA-N 400.863 -0.256 50 20 HBGD O=C(NNc1nc(-c2ccncc2)no1)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 728072073 RPLLSGPGSAREDQ-CQSZACIVSA-N 401.427 -0.245 50 20 HBGD COc1cc(CCC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc(OC)c1OC 729276020 VNIONOGXLWRSPC-SNVBAGLBSA-N 403.457 -0.270 50 20 HBGD C[C@@H]1Cc2cc(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc(Cl)c2O1 736063456 PHEKRRVKUGJDIP-HTQZYQBOSA-N 411.889 -0.089 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cnn(-c2cnc3ccccc3n2)c1 757783348 XSTWSEMGYQOCSV-JTQLQIEISA-N 418.439 -0.094 50 20 HBGD CC(C)Oc1cccnc1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 766643858 LFONQKUTFMYOLF-UHFFFAOYSA-N 415.410 -0.923 50 20 HBGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)CN(C)S(C)(=O)=O)CC2)cc1 766649058 MNGIFSATVWXWFD-UHFFFAOYSA-N 411.528 -0.849 50 20 HBGD O=C(COC(=O)CNC(=O)c1cccnc1)NNC(=O)c1ccc([N+](=O)[O-])cc1 767626949 RZYILJQVTPCBDU-UHFFFAOYSA-N 401.335 -0.276 50 20 HBGD CN(C)S(=O)(=O)c1cc(C(=O)NNC(=O)CNC(=O)c2cccs2)n(C)c1 778673676 HHPCOOPSRYJOHX-UHFFFAOYSA-N 413.481 -0.472 50 20 HBGD NC(=O)[C@@H]1CCC[C@H](C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)C1 787125264 GUHNWDRPHDIJIP-SJORKVTESA-N 415.494 -0.117 50 20 HBGD CN1CCN(C(=O)NNC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)CC1 788170054 YHGOXKQCOCARHC-UHFFFAOYSA-N 416.529 -0.646 50 20 HBGD CN(C)N(C(=O)C1=NN(c2ccc(F)cc2)C(=O)CC1=O)[C@H]1CCS(=O)(=O)C1 792855854 UXOALHQRODCZTE-ZDUSSCGKSA-N 410.427 -0.020 50 20 HBGD CC(=NNC(=O)CNC(=O)c1cccnc1)c1ccc(S(=O)(=O)CC(N)=O)cc1 814873588 IZIJGTYIEJYOPV-UHFFFAOYSA-N 417.447 -0.389 50 20 HBGD C[C@H]1CN(CCC(=O)NNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C[C@@H](C)O1 912919072 IMRBXJGTZOMHJW-OKILXGFUSA-N 423.495 -0.517 50 20 HBGD Cn1c(=O)c2cc(C(=O)NNC(=O)c3cc(Br)c[nH]3)n(C)c2n(C)c1=O 919694324 XDYRPPFKMOIWFI-UHFFFAOYSA-N 423.227 -0.259 50 20 HBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CN2C(=O)CCC2=O)c1 1324990971 WDHDJXIDFYGUFR-UHFFFAOYSA-N 410.452 -0.373 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCCO1)CCO2 1779030220 KQTUUDQYHULKQI-BEFAXECRSA-N 403.439 -0.692 50 20 HBGD CCOC(=O)N[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](Cl)COC)C2)C1 1783876867 BSFFVPKRNYBCQK-HSMVNMDESA-N 407.851 -0.865 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)C3CCC(O)CC3)C2)C1 1784140595 CMVFDNHJTWMYJF-QYGXFBIXSA-N 416.283 -0.639 50 20 HBGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21)n1ccnc1 1784258097 SGLWAIVVXHQFLW-QZWWFDLISA-N 420.514 -0.203 50 20 HBGD COC[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1784610585 YUOLMDYEUBEWHZ-IKICRFKJSA-N 404.272 -0.758 50 20 HBGD CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1793380930 JFELEWSFVIOBJM-FSDCSDTHSA-N 406.313 -0.476 50 20 HBGD Cc1nnc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)s1 1794103910 IVJUIKPGZIJVCI-OXIQGZBJSA-N 402.904 -0.032 50 20 HBGD C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795738705 BXKYHOAPIKFKQV-CYGHRXIMSA-N 416.283 -0.857 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)[C@@H]1CC[C@H]2CCC(=O)N2C1 1799144716 RQCAVVMDBZNJIQ-DFGCRIRUSA-N 413.902 -0.423 50 20 HBGD O=C1CC[C@@H](C(=O)N2CCCC3(CCN(C(=O)c4cccc(B(O)O)c4)CC3)C2)N1 1809308973 BWZOFXVWZIDQPG-KRWDZBQOSA-N 413.283 -0.510 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)C(O)O)CC1 1824024912 QQNFIPUDSPIPKI-HNNXBMFYSA-N 405.455 -0.771 50 20 HBGD Cc1nc(C)c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)o1 1830732967 ZCNFRRPFCNNVDD-SUMWQHHRSA-N 401.847 -0.039 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccn3C)C2)C1 1840149867 CFHQOVDPAGGMSF-CXAGYDPISA-N 400.863 -0.256 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCn3ccnn3)CCO2)C1 1840449250 IUXYIOCMFRSQMY-YOEHRIQHSA-N 415.878 -0.622 50 20 HBGD O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NNC(=O)c1ccc(-n2cnnn2)cc1 106252463 IEZKHRYUFYBTIP-UHFFFAOYSA-N 406.362 -0.873 50 20 HBGD Cn1cc(S(=O)(=O)NCC(=O)NNC(=O)c2cnn(-c3ccccc3)c2)cn1 733170308 XBKJBIPJHFRHOP-UHFFFAOYSA-N 403.424 -0.655 50 20 HBGD C=CCN1C(=O)C(=O)N(CC(=O)NNC(=O)[C@@H](C)Oc2ccc(OCC)cc2)C1=O 748546418 JPMBIRUFVRUWRQ-GFCCVEGCSA-N 418.406 -0.023 50 20 HBGD CCNC(=O)N(C)NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc(C)c(C)c1 760497335 VCGORRWYWDKSDU-CQSZACIVSA-N 413.500 -0.092 50 20 HBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)Cn2cc([C@@H](C)O)nn2)c1 763012496 LYVKLMWJBOAVTC-GFCCVEGCSA-N 424.483 -0.177 50 20 HBGD O=C(CO)NNC(=O)C(=O)Nc1cc(Br)ccc1N1CCOCC1 764429002 OEUCXUXPLCWJKR-UHFFFAOYSA-N 401.217 -0.636 50 20 HBGD Cc1ccn(C[C@](C)(O)C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c(=O)c1 790649255 BZFMFXSOGKLJPD-FQEVSTJZSA-N 414.466 -0.238 50 20 HBGD CCc1ccc(NC(=O)NNC(=O)[C@H]2CCc3nncn3C2)cc1S(N)(=O)=O 814638033 IZHZDPVESVWYEB-NSHDSACASA-N 407.456 -0.097 50 20 HBGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)cc1 816817906 MZAKFPNYUWZVRM-QWHCGFSZSA-N 414.484 -0.085 50 20 HBGD CCn1cc(C#N)c(=O)n(CC(=O)NNC(=O)c2ccc(OC)c(OC)c2)c1=O 915794711 UIJAPYYPBRIKFI-UHFFFAOYSA-N 401.379 -0.620 50 20 HBGD O=C(NN=C1C(=O)Nc2cc(N3CCOCC3)ccc21)N[C@@H]1CCS(=O)(=O)C1 920379366 VIBOMIACZPCANP-LLVKDONJSA-N 407.452 -0.334 50 20 HBGD CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)O1 1320618071 MOSCOCUNSDCFMW-BXUZGUMPSA-N 416.438 -0.487 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)C1 1781097353 BACBYEIRXXJSRK-BXWFABGCSA-N 416.950 -0.294 50 20 HBGD CCS(=O)(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](Cl)COC)C[C@@H]21 1784453355 PGEPZHRAISKBBM-FQUUOJAGSA-N 410.920 -0.345 50 20 HBGD CCOC(=O)N[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)CCl 1792782973 KSMDWHNJCLDOFB-YVECIDJPSA-N 405.879 -0.095 50 20 HBGD CCC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)C(=O)C(=O)O)C2 1793453719 SSORBFIPCXVTED-GFQSEFKGSA-N 403.863 -0.474 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cscn1)C2)c1cccc(B(O)O)c1 1795738868 KAHHGMLRFKKTGB-ZSBFGKGUSA-N 415.280 -0.731 50 20 HBGD CC[C@@H](NC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)Br 1800757071 HODSVTWAIQOFTG-RMPHRYRLSA-N 405.293 -0.194 50 20 HBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)Cn2ccnn2)[nH]n1)c1ccc(B(O)O)cc1 1817471509 QKIGVDHUGOZFNG-INIZCTEOSA-N 423.242 -0.313 50 20 HBGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CC[C@H](N)C(N)=O)CC2 1825999278 PRBGRPBRTDCHRM-GUBZILKMSA-N 417.919 -0.098 50 20 HBGD CC(=O)NCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1 1830726921 WQTKPASCJDRCQX-KSSFIOAISA-N 419.906 -0.795 50 20 HBGD CCCNC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830727036 ZSEJSPCMXSQAQS-KBXCAEBGSA-N 419.906 -0.651 50 20 HBGD CC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834824844 NRNMQBBCDCAALL-BLLLJJGKSA-N 420.304 -0.248 50 20 HBGD O=C(c1ccc(F)nc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837840650 UEKDVJQOABLGFN-GUYCJALGSA-N 401.822 -0.110 50 20 HBGD N=C(N)SCCC(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1842914044 RGNULXCWDRSBOR-UHFFFAOYSA-N 405.484 -0.481 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)CSc2ncccn2)C1 1843072586 ZKOJZJSKEVCVBC-UHFFFAOYSA-N 412.280 -0.234 50 20 HBGD CCn1c(NNC(=O)CNS(=O)(=O)c2cn(C)c(C)n2)nc2ccccc2c1=O 116496115 JQGDMFUBLZUVQF-UHFFFAOYSA-N 419.467 -0.120 50 20 HBGD Cc1c(Cl)cc(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1[N+](=O)[O-] 728510378 XZDRTUDCNKQYBK-ZETCQYMHSA-N 414.849 -0.196 50 20 HBGD CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NNC(=O)c1cnn[nH]1)n2C 729455797 AQDUDPOKWDVXQW-UHFFFAOYSA-N 420.455 -0.665 50 20 HBGD O=C(NCCn1cccn1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 734279592 ZMNRHJNVOZLABZ-UHFFFAOYSA-N 422.467 -0.452 50 20 HBGD NC(=O)c1ccc(NNC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)nn1 757406732 FWFYAZPDBRCWJL-MRXNPFEDSA-N 409.406 -0.506 50 20 HBGD COc1ccc(NC(=O)C(=O)NNC(=O)Cn2nc(C)cc2C)cc1-n1cnnn1 763893771 ZUDODUDXYOZSAK-UHFFFAOYSA-N 413.398 -0.730 50 20 HBGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)C(=O)Nc1ccc(-n2nccn2)cc1 763916636 IGHJRNZZRYXLOB-UHFFFAOYSA-N 418.377 -0.357 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccnn1CCc1ccccc1 764229593 BGCPKXXOPHLAIQ-GFCCVEGCSA-N 422.467 -0.851 50 20 HBGD COc1ccc(-c2cc(C(=O)NNC(=O)C[C@@H]3NC(=O)NC3=O)n[nH]2)cc1OC 764752307 UVTWCEADCWBDOW-JTQLQIEISA-N 402.367 -0.547 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2nccn2CC(F)(F)F)n(C)c1=O 764818994 YOZOXDXBTNDYGD-UHFFFAOYSA-N 412.332 -0.657 50 20 HBGD CC(=O)N1CCC[C@H](C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)C1 766640853 GLIKRUHFZUWARP-SFHVURJKSA-N 415.494 -0.150 50 20 HBGD Cc1ccccc1CC(=O)NNC(=O)CN1CCN(C(=O)[C@@H]2CCCN2C)CC1 767037933 GLCPKYMPKGFIQE-SFHVURJKSA-N 401.511 -0.077 50 20 HBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1ccccc1OCC(=O)N1CCOCC1 784916871 YLISVFBSBDRMMT-UHFFFAOYSA-N 407.427 -0.445 50 20 HBGD CN1CCN(C(=O)NNC(=O)[C@](C)(O)Cn2cc(C(F)(F)F)ccc2=O)CC1 807383599 FQTNQNDYMSHZSD-OAHLLOKOSA-N 405.377 -0.394 50 20 HBGD COc1ccc(C(=O)NNC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)cc1OC 921235252 DDHOFMUXMBBZBE-UHFFFAOYSA-N 406.420 -0.038 50 20 HBGD C[C@@H](C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(S(C)(=O)=O)cc1 1319164180 NZGJZHJTGSLXCW-ZYHUDNBSSA-N 403.482 -0.289 50 20 HBGD COC(=O)C(=O)NNC(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 1321116750 BQJHCBKCLOCQPI-CYBMUJFWSA-N 410.402 -0.653 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1 1783871025 LOQWLCHMYWNZCJ-UGSOOPFHSA-N 413.858 -0.615 50 20 HBGD O=C(NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1)c1cccnc1 1784085752 OQXJZRJOYWZTRE-VGWMRTNUSA-N 424.885 -0.609 50 20 HBGD CC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984639 XLCRIWPVOFYUAN-SZMVWBNQSA-N 402.256 -0.671 50 20 HBGD C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)N1CCN(C)CC1 1789794806 CZKAKVFKTXDYGS-WOYTXXSLSA-N 416.950 -0.798 50 20 HBGD N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)cc1 1795739980 YUISQUZIRHAYHJ-OPVJXMOQSA-N 419.246 -0.245 50 20 HBGD CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Cl)C2 1796299108 MUCQYKXJAOKBQN-FPYNETTCSA-N 423.869 -0.004 50 20 HBGD C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1797709811 MTOPLNKMGROISA-BASYENTBSA-N 410.515 -0.478 50 20 HBGD C[C@H]1C[C@@]1(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1799163377 AGKCZWPRBNPLBU-HSTADXMGSA-N 401.467 -0.066 50 20 HBGD CCNC(=S)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](Cl)COC 1800979481 KNBYBWFWJYOZMV-OPDFLTKYSA-N 406.936 -0.686 50 20 HBGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@](C)(O)CC(=O)O)C2 1802339887 SAWYAPVRZBYISA-LJPSSGMGSA-N 412.487 -0.387 50 20 HBGD Cc1c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cnn1C 1830724024 CDGHJQXJDFDOGH-YOEHRIQHSA-N 400.863 -0.602 50 20 HBGD Cc1nn(C)cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830725062 DHNRIMGMBAGTDV-RHSMWYFYSA-N 400.863 -0.602 50 20 HBGD O=C(c1cc2n(n1)CCC2)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731806 PUXRPMFZUAGLBX-YJBOKZPZSA-N 412.874 -0.501 50 20 HBGD CN1CCCC[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1830752085 NMNJSHFZCQRKQY-VKJFTORMSA-N 403.907 -0.473 50 20 HBGD COC(OC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840030314 IHHKHPDVPPWNJS-IAQYHMDHSA-N 409.277 -0.155 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn(C)n3)C2)C1 1840151182 XEKKITSCEWVABM-GUYCJALGSA-N 400.863 -0.256 50 20 HBGD CC(C)/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840624913 PVZFVPXRHCMIQY-OYCQWZNWSA-N 416.283 -0.351 50 20 HBGD COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)C1 1841341287 REPWRHNWGBLVIE-HZPDHXFCSA-N 414.267 -0.227 50 20 HBGD CS(=O)(=O)N1CCC(C(=O)N2CC3(CCCN3C(=O)[C@@H](O)CCl)C2)CC1 1841350954 CEIDQFXMPVNOAE-ZDUSSCGKSA-N 407.920 -0.539 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CC2(CCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)C1 1843235114 ANYSTQQZQBDNJJ-AWEZNQCLSA-N 414.253 -0.134 50 20 HBGD COc1cc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc(OC)c1 19851145 UMOXWIGYPKPRKB-UHFFFAOYSA-N 400.395 -0.399 50 20 HBGD NS(=O)(=O)c1cc(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)ccc1F 728890297 KTBGTGLUSRZVCL-UHFFFAOYSA-N 422.442 -0.059 50 20 HBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCCN1CCOC[C@@H]1C 729613537 DKNNSZVLBNZRKT-LBPRGKRZSA-N 412.516 -0.047 50 20 HBGD CN(CC(=O)NNC(=O)COc1ccccc1O)C1=NS(=O)(=O)c2ccccc21 730780810 WDUWGQTUDCFHRN-UHFFFAOYSA-N 418.431 -0.001 50 20 HBGD C#CCNS(=O)(=O)c1cccc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)c1 732259242 AYZNYWGTFKHTOB-GJZGRUSLSA-N 422.507 -0.142 50 20 HBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)CNC(=O)C(C)(C)C)CC1 735116866 IXUDNCMTSTXQPY-UHFFFAOYSA-N 412.516 -0.377 50 20 HBGD O=C(O)COc1ccc(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)cc1 751283542 XIINLIXZYKIRIL-UHFFFAOYSA-N 413.433 -0.049 50 20 HBGD COc1ccc([C@@H](CC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)NC(C)=O)cc1 758035007 JEQDGPRFFOZHND-QMTHXVAHSA-N 400.457 -0.652 50 20 HBGD O=C(NNC(=O)c1ccc2nnnn2c1)c1cccc(S(=O)(=O)N2CCCC2)c1 758151396 XJKHNLKRADZGPA-UHFFFAOYSA-N 415.435 -0.016 50 20 HBGD C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NNC(=O)CNC(=O)c1cccnc1)C2=O 763825066 PNVCQWLCVFIFIO-HXPMCKFVSA-N 416.438 -0.541 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(OC(F)(F)F)c1 764231722 PFPLYBJDGDMULA-ZETCQYMHSA-N 412.346 -0.391 50 20 HBGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cc(F)cc(N2CCOCC2)c1 764399993 OPDGLYLOAOFRPV-LBPRGKRZSA-N 412.418 -0.200 50 20 HBGD CCN1CCC[C@H]1CN1C[C@@H](C(=O)NNC(=O)CNC(=O)OC(C)(C)C)CC1=O 778433497 MZBONRJNSHEFQK-KBPBESRZSA-N 411.503 -0.009 50 20 HBGD NS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1 798159615 VGSNSOFNUARHGQ-UHFFFAOYSA-N 413.433 -0.272 50 20 HBGD CO[C@H](C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1)c1cnn(C)c1 798775029 SUFFAJHAYGHGPI-ZBFHGGJFSA-N 404.379 -0.362 50 20 HBGD Cc1c(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cccc1-c1ncco1 815569152 JFPOGNVWKDJLGB-SNVBAGLBSA-N 409.424 -0.326 50 20 HBGD C[C@H]1CCCC[C@H]1NC(=S)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 913498173 PZBDWKCBWUVPTF-WDEREUQCSA-N 407.500 -0.492 50 20 HBGD CC(C)NC(=O)C(=O)NNC(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C 914719561 XYAMGQHURMQHDI-LJQANCHMSA-N 401.423 -0.343 50 20 HBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1ccc(S(N)(=O)=O)o1 917918675 XHHZCENKUNGGPS-UHFFFAOYSA-N 415.453 -0.397 50 20 HBGD COC[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779028272 BGOGBZGLJNLXQZ-ORAYPTAESA-N 405.455 -0.589 50 20 HBGD CC(C)(C)[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1784024470 RYLVUKIPNROTAH-DKIMLUQUSA-N 418.299 -0.633 50 20 HBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccno3)C[C@@H]21 1788610589 IJCZKVQSWRNYGP-PJODQICGSA-N 414.422 -0.420 50 20 HBGD Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)nc1 1794862063 QHBJLVIRBONSRH-HGKCTWBKSA-N 409.251 -0.413 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncs1)C2)c1ccc(B(O)O)cc1 1795732485 LSYWFDCDVGFREH-YWVIFJGQSA-N 401.253 -0.660 50 20 HBGD CC[C@@H](NC(C)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796185765 MKTAGJMHBUXKLG-XMTFNYHQSA-N 401.272 -0.467 50 20 HBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCCO1)C2 1797748006 CKRXSAOGUGSCBP-RMHZUWNSSA-N 417.466 -0.543 50 20 HBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccs1)C2 1797749697 KMSQYGJISHRSAT-GNXNZQSNSA-N 416.463 -0.341 50 20 HBGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(O)O)C2 1800332490 QSQIIRLNTONEGK-WKTFTJJHSA-N 407.373 -0.228 50 20 HBGD Cc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)cn1 1801009637 WJIWCVTZTCEGIN-UPHUGPLXSA-N 417.510 -0.105 50 20 HBGD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C)N1C[C@H]2C[C@H]2C1 1801011361 IGLKXYAAGGFQKD-OEGABVSNSA-N 421.542 -0.711 50 20 HBGD O=C(c1ccc(F)nc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731422 LJLSVCHEZFPMMS-SUMWQHHRSA-N 401.822 -0.110 50 20 HBGD Cc1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)co1 1834213208 ICBAXOBRWDRSTH-LJQANCHMSA-N 423.470 -0.574 50 20 HBGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)on1 1834228750 ZJJWNEOAXBXDTP-LJQANCHMSA-N 423.470 -0.574 50 20 HBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(O)[nH]3)CCO2)C1 1838071725 VDKGEUBRFCNMRK-BONVTDFDSA-N 417.260 -0.031 50 20 HBGD NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1839864571 BNLIMXCRYLYFJY-TZMCWYRMSA-N 410.240 -0.601 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncn3C)C2)C1 1840149792 AFNDMNNTDIQQIS-DYVFJYSZSA-N 400.863 -0.256 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1=COCC1)CCO2 1840563889 SYKWVQHDZZKHTA-IBGZPJMESA-N 410.471 -0.880 50 20 HBGD CN(C)c1ccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)cn1 1843011826 XZPLKADVJBSSNU-UHFFFAOYSA-N 408.267 -0.042 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)[C@@H](N)Cc2cscn2)C1 1843330478 ZYQYNOOBSAFWQT-AWEZNQCLSA-N 408.528 -0.411 50 20 HBGD CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)NCC(=O)O)cc1 730576185 CRQDDJLXMAIKCB-LBPRGKRZSA-N 417.465 -0.676 50 20 HBGD COc1ccc(S(=O)(=O)CCC(=O)NNC(=O)C(=O)N2CCCC2)cc1OC 740820885 XLMNUMSXBYJMLV-UHFFFAOYSA-N 413.452 -0.363 50 20 HBGD CC[C@]1(C)NC(=O)N(CC(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)C1=O 741828860 HAYICRCZKRXNJN-SFHVURJKSA-N 401.379 -0.417 50 20 HBGD C[C@@H]1C[C@H](NC(=O)NNC(=O)CNC(=O)c2cccs2)C(=O)N1c1cnn(C)c1 743578439 KWTGLEJDAAZMPX-PWSUYJOCSA-N 419.467 -0.264 50 20 HBGD N#Cc1cccc(C(=O)NNC(=O)CN2CCN(CC(=O)N3CCCCC3)CC2)c1 744384557 LUNKUBQEGUTREJ-UHFFFAOYSA-N 412.494 -0.051 50 20 HBGD COCCO[C@@H](C)C(=O)NNC(=O)NCCNS(=O)(=O)c1ccc(C)cc1 748615325 WKNSBJBVXFJTKX-ZDUSSCGKSA-N 402.473 -0.345 50 20 HBGD C[C@@H]1CN(CCC(=O)NNC(=O)CCc2ccc(S(N)(=O)=O)cc2)C[C@@H](C)O1 751424494 AFDZDCBOOIXDCZ-ZIAGYGMSSA-N 412.512 -0.087 50 20 HBGD CN1CCN(S(=O)(=O)c2cccc(NC(=O)NNC(=O)c3cnccn3)c2)CC1 756212649 NTRYASGVHBBQKT-UHFFFAOYSA-N 419.467 -0.121 50 20 HBGD CS(=O)(=O)N1CCN(c2ccc(NC(=O)NNC(=O)c3cnccn3)cn2)CC1 756547648 DVNSCTYTDQIQIH-UHFFFAOYSA-N 420.455 -0.580 50 20 HBGD CN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NNC(=O)c3ccoc3)cc2)CC1 764164654 SBXDFGHSAWEGRW-UHFFFAOYSA-N 413.434 -0.004 50 20 HBGD Cc1ccccc1CC(=O)NNC(=O)CN1CCC([C@]2(C)NC(=O)NC2=O)CC1 766906465 LDEFLGMUQBXYLQ-FQEVSTJZSA-N 401.467 -0.005 50 20 HBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 771992758 NXYRBMZUIJVKDV-SNVBAGLBSA-N 403.413 -0.597 50 20 HBGD CC(C)(C)OC(=O)N1CCC(OCC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)CC1 777093197 QYSRETWNAQENPE-LBPRGKRZSA-N 419.500 -0.015 50 20 HBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 778701212 WLWZKJMNDMUWRT-AUZPSNTRSA-N 421.454 -0.351 50 20 HBGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 792849704 KWLZOOLVYAMRIJ-WCQYABFASA-N 421.545 -0.804 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 801105528 GPNSKWWFVKAATJ-OAHLLOKOSA-N 417.466 -0.738 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cc1 801108985 WOPKXHDVDTUAFA-QHSBEEBCSA-N 400.391 -0.757 50 20 HBGD CSC[C@H](C(=O)NNC(=O)N1CCN(C)CC1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 807383129 LMVKCEGCSOUZJD-HZSPNIEDSA-N 411.528 -0.119 50 20 HBGD COCC1(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CCOCC1 811432112 JWMGFEYJESMYQP-HNNXBMFYSA-N 408.407 -0.040 50 20 HBGD CC1=C(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)CCO1 1779030017 DMRQZEOPKVTGOY-FQEVSTJZSA-N 415.450 -0.177 50 20 HBGD CCN(C)[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779036815 GFUKNUVTYUFDDK-VBKZILBWSA-N 418.498 -0.531 50 20 HBGD O=C(c1cc(=O)nc2cccnn12)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1780058268 UCZLUVNZUBQCIT-SCLBCKFNSA-N 421.841 -0.867 50 20 HBGD COC(=O)C1(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)CC1 1783937972 ZQVFBEQTNKYDJA-GOSISDBHSA-N 410.471 -0.858 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1nccs1 1786190895 WYLFYHLQWCNIEF-BPUTZDHNSA-N 415.280 -0.270 50 20 HBGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](COC)NC(C)=O)C[C@@H]21 1791255080 DOLPVLMVVFFTJQ-QXKUPLGCSA-N 419.906 -0.629 50 20 HBGD N=C1NCCN1CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2 1795579360 ZOERUBPCIDVFPJ-GNXNZQSNSA-N 402.293 -0.799 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC1CCOCC1)C2)c1ccc(B(O)O)cc1 1795734419 HKPGPSVKHXKZKE-XEMDLRDOSA-N 416.283 -0.614 50 20 HBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccc(O)nn1 1800208654 WGBPFRRHNQKFIA-BUWBCJGYSA-N 414.846 -0.596 50 20 HBGD O=C(NC[C@@H]1CCN(C(=O)c2ncon2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807376036 SJHPIOIZAIKRRY-DOTOQJQBSA-N 421.222 -0.222 50 20 HBGD O=C(CN1C(=O)CNC1=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](O)CCl)CC1 1824178926 MPYQDBFZAQINAZ-KBPBESRZSA-N 414.890 -0.242 50 20 HBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ncnn1C)CC2 1826080467 MJUFWFBMSHODDY-SNVBAGLBSA-N 420.499 -0.130 50 20 HBGD Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c(O)n1 1830730900 FRCLKWYFZOONKF-KDOFPFPSSA-N 413.858 -0.235 50 20 HBGD Cc1cnn([C@H](C)C(=O)N2CCOC[C@@]3(CN(C(=O)[C@@H](O)CCl)CCO3)C2)c1 1830738607 QODBFTBXCCAWFF-VKJFTORMSA-N 414.890 -0.191 50 20 HBGD CN(C)c1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)o1 1833896254 RUOKHURELCMPDW-SJCJKPOMSA-N 416.862 -0.590 50 20 HBGD O=C(Cn1ccccc1=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1835995666 TZBUZDXQSDGOMN-NVXWUHKLSA-N 401.822 -0.161 50 20 HBGD CN(C)C(=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1839152298 VFWAIHLKSDHYER-HZPDHXFCSA-N 410.298 -0.233 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)n(C)n3)C2)C1 1840150035 FBSABRBCTREWHT-PXAZEXFGSA-N 416.862 -0.551 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnn3C)C2)C1 1840150602 OCAMBSAXYWYQJC-SUMWQHHRSA-N 400.863 -0.256 50 20 HBGD CN(C)c1ccc(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)cn1 1844551586 XTXYLLFBEHFBRM-UHFFFAOYSA-N 408.267 -0.042 50 20 HBGD CN(C)CCNC(=O)c1cccc(CNC(=O)NN[C@]2(C)CCS(=O)(=O)C2)c1 727603761 DUANLCDDAZOUQV-GOSISDBHSA-N 411.528 -0.141 50 20 HBGD O=C(COC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)c1cccs1 745478695 NBXBFPYOVGROPO-ZHMYYEFOSA-N 407.404 -0.785 50 20 HBGD C[C@]1(C2CCN(CC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)CC2)NC(=O)NC1=O 746497965 WPTDIUGQPWOMDD-GOSISDBHSA-N 418.410 -0.334 50 20 HBGD CC(C)NS(=O)(=O)c1cc(C(=O)NNC(=O)C(=O)N2CCCC2)ccc1F 748241371 YIPVKXPBOJTQBY-UHFFFAOYSA-N 400.432 -0.104 50 20 HBGD CC(=NNC(=O)CNC(=O)c1ccco1)c1ccc(S(=O)(=O)NCC(=O)O)cc1 750938636 KUSHXIRRGUFFOS-UHFFFAOYSA-N 422.419 -0.087 50 20 HBGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1cc2c(cc1C(=O)OC)OCO2 753840593 KADMFGJIWMBBMS-SECBINFHSA-N 411.367 -0.661 50 20 HBGD CCC(=O)NNC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 755534820 NRWWCKQROBLAFC-LLVKDONJSA-N 404.470 -0.285 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 758036893 WKXTYALNASSVHB-QWRGUYRKSA-N 420.513 -0.875 50 20 HBGD Cc1c(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)nnn1-c1ccc2ncccc2c1 758044911 ADRPNPIRAHLYAF-JTQLQIEISA-N 417.451 -0.177 50 20 HBGD COc1cc(OC)cc(C(=O)NCC(=O)NNC(=O)C(=O)Nc2ccccn2)c1 758905765 BFKFPUJALCSSJS-UHFFFAOYSA-N 401.379 -0.385 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C(F)(F)c2ccc(F)cc2)n(C)c1=O 766635927 JTIUFHVODCGRPS-UHFFFAOYSA-N 424.339 -0.488 50 20 HBGD CCc1oc(C(=O)OC)cc1S(=O)(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 778563804 QLICIHMESDLARB-MRVPVSSYSA-N 409.442 -0.692 50 20 HBGD CSCCNC(=S)NNC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](C)O 779548758 YCYOHCXTQPLQMQ-AAEUAGOBSA-N 420.582 -0.119 50 20 HBGD Cc1cc(F)c(C(=O)O)cc1S(=O)(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 793381992 RSOJDULSCMHPQY-QMMMGPOBSA-N 409.417 -0.488 50 20 HBGD O=C(NNC(=O)c1nnc(O)c2ccccc12)C1=CC=CN2CCS(=O)(=O)N=C12 921235882 ONDDQSKLDBRJPA-UHFFFAOYSA-N 414.403 -0.406 50 20 HBGD CS(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2ccc3c(c2)C(=O)NCC3)c1 1116075500 MOJIGIRECSLQPZ-UHFFFAOYSA-N 423.472 -0.001 50 20 HBGD CC(=O)NNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 1317716427 HFQAONUOHFVUKV-LBPRGKRZSA-N 411.889 -0.411 50 20 HBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)c1cnoc1 1778163936 JKTYJFRQFZXYHN-YLJYHZDGSA-N 413.239 -0.204 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(O)[nH]3)[C@H]2C1 1788958966 HSLXDOIPKFIINI-OBJOEFQTSA-N 408.459 -0.918 50 20 HBGD CN[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](Cl)COC)[C@H]2C1)C(=O)O 1791251629 OHLFRRUDQXDWJG-HPCHECBXSA-N 405.879 -0.717 50 20 HBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCOC1=O 1793350900 XEXGQMLABAHXET-CLLJXQQHSA-N 416.438 -0.611 50 20 HBGD CC[C@H](C)[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1793395889 SQIPJDPTPPBWQA-PMUIAIRXSA-N 419.482 -0.705 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CNC(=O)O1 1793648381 NVVQDBJHRAOCHK-OEQBCIRUSA-N 416.438 -0.133 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CNC1=O)C2 1799273611 DSJUSOAPPMODJO-HMVGFALLSA-N 421.281 -0.636 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccccn1)C2 1801009390 DNBHRBZAKBOPDX-VPTLXERWSA-N 417.510 -0.023 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)cco1)C2 1801009456 KBVDUUMMXWXPTK-IVWMJMPLSA-N 406.439 -0.784 50 20 HBGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](N)CCC(N)=O)CC2 1825999515 SPXUOUSFXBKYFS-UTLUCORTSA-N 417.919 -0.098 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnnn3C)C2)C1 1840150106 GTLODERBQGVBOB-MLGOLLRUSA-N 401.851 -0.861 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)NCC(C)C)C2)C1 1840152875 XHXPOJWLNNWIGN-KSSFIOAISA-N 419.906 -0.531 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2cnn3c2OCCC3)C1 1845612507 MIXBOLHFKFOFQG-UHFFFAOYSA-N 410.239 -0.524 50 20 HBGD CC(=O)N(C)CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnccc1C(=O)NN 1848019898 HAMDYAOGINSSFB-HOTGVXAUSA-N 402.455 -0.631 50 20 HBGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)Cc1ccc(S(N)(=O)=O)s1 734239813 DZSYOUSPAZDGJC-UHFFFAOYSA-N 421.501 -0.207 50 20 HBGD COc1ccc(OCC(=O)NNC(=O)NCCC(=O)N2CCN(C(C)=O)CC2)cc1 737065683 YCXARQOWMKNOIU-UHFFFAOYSA-N 421.454 -0.515 50 20 HBGD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)c1ccc(C#N)cc1 747174533 WVQOMCGIEUPDKC-UHFFFAOYSA-N 417.447 -0.008 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@@H]2CCCN(C)C2=O)cc1 748663851 RPEOTSSUNQNKJG-CQSZACIVSA-N 411.484 -0.433 50 20 HBGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 755047894 ACTKWAOQHGASJE-MNOVXSKESA-N 413.431 -0.159 50 20 HBGD CCOc1ccc(NC(=O)NNC(=O)CO)cc1S(=O)(=O)N1CCOCC1 755547487 OUAVGGUKEWEHRP-UHFFFAOYSA-N 402.429 -0.749 50 20 HBGD Cc1nc(C2CC2)oc1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 759955666 PCIKZEUVDRHHIJ-UHFFFAOYSA-N 401.383 -0.931 50 20 HBGD C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)CCc1ccco1 763034250 WHKWTHPFGACMLA-LLVKDONJSA-N 408.436 -0.175 50 20 HBGD CCc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cnc(OC)c(C(N)=O)c1 763711248 FPKOKRAEZNTLMQ-UHFFFAOYSA-N 415.406 -0.084 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(N(C)C)c(Cl)c1 764226668 KCANWLYIFHTDDG-QMMMGPOBSA-N 405.864 -0.570 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(Cl)c2cccnc12 764233465 WWLMNNAIPIXHLE-MRVPVSSYSA-N 413.843 -0.088 50 20 HBGD COc1ccc(NNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)c([N+](=O)[O-])c1 768331542 CQWCBXUTGIZCGT-UHFFFAOYSA-N 417.382 -0.116 50 20 HBGD CO[C@@H]1Cc2ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c3ccco3)cc2C1 784002372 OEJNUNSOAYWWSM-CQSZACIVSA-N 400.391 -0.091 50 20 HBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OCC 784916832 XOIHOUPHCGRXAA-UHFFFAOYSA-N 415.472 -0.033 50 20 HBGD COC(=O)Cn1ncc(NC(=O)C(=O)NNC(=O)COc2ccc(F)cc2)c1C 796991075 ZZFOXSAABSCNJX-UHFFFAOYSA-N 407.358 -0.331 50 20 HBGD CO[C@H](C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)c1cnn(C)c1 798775028 SUFFAJHAYGHGPI-HOCLYGCPSA-N 404.379 -0.362 50 20 HBGD CC(C)NC(=O)C(=O)NNS(=O)(=O)c1cc(Br)cc(C(N)=O)c1 799519930 AHXXNWPQOADIRC-UHFFFAOYSA-N 407.246 -0.618 50 20 HBGD CN1CCN(C(=O)NNC(=O)[C@@H](CCC(N)=O)NC(=O)OCc2ccccc2)CC1 807381390 QJHCGIUHEPGWSG-OAHLLOKOSA-N 420.470 -0.465 50 20 HBGD CC(=NNC(=O)C[C@H](C(=O)NN=C(C)c1cc[nH]n1)N1CCOCC1)c1cc[nH]n1 814855434 MFEICEVWEMUVEW-MRXNPFEDSA-N 415.458 -0.396 50 20 HBGD O=C(NNC(=O)[C@H]1CCCO1)C(=O)Nc1ccc(CN2C(=O)CCCC2=O)cc1 815778269 JPOJTGRYMLOPFX-CQSZACIVSA-N 402.407 -0.009 50 20 HBGD O=C(CCC(=O)N1CC[C@H](B(O)O)C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 864232911 DENCOZUCVACRKL-HNNXBMFYSA-N 423.300 -0.625 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CSc3nc[nH]n3)C[C@@H]21)[C@H](O)CCl 1784096305 VFQXRVPUBVQIFB-YFKTTZPYSA-N 403.892 -0.524 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CC3(F)F)[C@H]2C1 1788134380 RSPACSAXVPVGRN-XUXIUFHCSA-N 402.442 -0.006 50 20 HBGD CNC(=S)NCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](Cl)COC)C[C@@H]21 1788616528 PJRYNNLRYJGEEH-FQUUOJAGSA-N 420.963 -0.296 50 20 HBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc([N+](=O)[O-])cn1 1794006583 PLBFETBHUIYATI-WJNVRWDZSA-N 415.834 -0.365 50 20 HBGD CC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)n2[nH]cnc2n1 1795730505 NGYCEMDJDPOLDG-MIJXAVMKSA-N 408.846 -0.362 50 20 HBGD Cc1n[nH]c(C)c1CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1799419561 XSNCCIQAOLTEDI-YVWYUNDQSA-N 420.514 -0.468 50 20 HBGD Cc1cn(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(Cl)Cl)c(=O)nc1O 1801021527 RKUAUJFDOJILPP-PEGIJTEDSA-N 419.265 -0.349 50 20 HBGD C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)C1 1829666650 INADPYZSCKHZNF-NRFANRHFSA-N 414.267 -0.597 50 20 HBGD O=C(c1[nH]nc2ccncc12)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830727960 LLVUZJNEPKNCDK-KSSFIOAISA-N 423.857 -0.372 50 20 HBGD COC(=O)CSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1831443042 LGAVBEFBNHSIFJ-UKRRQHHQSA-N 412.867 -0.117 50 20 HBGD Cc1nn(C)c(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1831804604 RXFKUROTKKLXIS-KBXCAEBGSA-N 414.890 -0.293 50 20 HBGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840044740 UQZJVQJZSWVYFM-BLLLJJGKSA-N 417.256 -0.296 50 20 HBGD CS(=O)(=O)c1ccc(C(=O)N2CC3(CCCN3C(=O)[C@@H](O)CCl)C2)nc1 1841349968 ZXIPCMXZYWCZCS-ZDUSSCGKSA-N 401.872 -0.098 50 20 HBGD CCCNC(=O)CCC(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1841537783 QGLVQPDSQYFZLZ-UHFFFAOYSA-N 401.272 -0.510 50 20 HBGD CN(C)c1cncc(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)c1 1842173122 XEGDQQSSQSGOOZ-UHFFFAOYSA-N 408.267 -0.042 50 20 HBGD CN(CCCC(=O)NNC(=O)C(=O)NC1CC1)S(=O)(=O)c1ccc(F)cc1 10213670 IGJGIRHCXPUDLB-UHFFFAOYSA-N 400.432 -0.348 50 20 HBGD C[C@H](C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1)N1CCN(C)CC1 725877782 KUCPJPRKRKJPRL-GOSISDBHSA-N 402.543 -0.018 50 20 HBGD Cc1csc(CC(=O)NNC(=O)COC(=O)CN2C(=O)c3ccccc3C2=O)n1 748128108 VBTRRYIFAFJMAH-UHFFFAOYSA-N 416.415 -0.019 50 20 HBGD CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)NNC(=O)C(=O)N2CCCC2)c1 748241327 WSFWJVPMQFQIHY-UHFFFAOYSA-N 400.432 -0.104 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1 755662341 JGZDGSHPTRBVSS-JTQLQIEISA-N 411.440 -0.574 50 20 HBGD CS(=O)(=O)N1CCN(CC(=O)NNC(=O)c2cccc(OC(F)F)c2)CC1 759406189 MMPRXMATIQNUCI-UHFFFAOYSA-N 406.411 -0.374 50 20 HBGD COCCc1cc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)n(C)n1 763571267 LMURNGNZYSZYPZ-CQSZACIVSA-N 403.395 -0.465 50 20 HBGD CN(C)c1c(Cl)cccc1NC(=O)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 763997419 LEKCOSJJMIWJET-VIFPVBQESA-N 402.860 -0.073 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CS(=O)(=O)C(C)(C)C)cc1 767191497 BEAOTOGEVQWOGE-UHFFFAOYSA-N 419.525 -0.024 50 20 HBGD CSCCNC(=S)NNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 769768233 JGRFYPCTDNHSNP-VIFPVBQESA-N 407.543 -0.990 50 20 HBGD CS(=O)(=O)N1CC(CNC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)C1 777733079 HCKKIOSRUXTOHM-UHFFFAOYSA-N 408.440 -0.587 50 20 HBGD COc1cncc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)n1 790103210 BZNDKLPIJBHUER-UHFFFAOYSA-N 421.435 -0.419 50 20 HBGD CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1 798307698 FHUJWKTTYJJOLQ-HNNXBMFYSA-N 403.439 -0.484 50 20 HBGD COc1cc(OC)c(NC(=O)NNC(=O)CN2C(=O)C(=O)N(C)C2=O)cc1Cl 802072798 VSHWCSYLPRLPGW-UHFFFAOYSA-N 413.774 -0.070 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(-n3cncn3)nc2)c1 861891437 ZCXBWBAUNPUTML-UHFFFAOYSA-N 415.435 -0.013 50 20 HBGD COC(=O)c1ccc(Cl)c(S(=O)(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 914563876 RJDZEQQWVKQNPB-VIFPVBQESA-N 410.857 -0.129 50 20 HBGD O=C(C[C@@H]1CCS(=O)(=O)C1)NNc1ccccc1S(=O)(=O)N1CCOCC1 1318941134 HSWGCFFLPPESRR-ZDUSSCGKSA-N 417.509 -0.025 50 20 HBGD CC(=O)N/C(C)=C/C(=O)N1CC[C@@]2(C1)CN(C(=O)CCC(=O)NN(C)C)CCO2 1782631683 XAWFXSXVGPPKHV-FIIODCPWSA-N 409.487 -0.771 50 20 HBGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21)C1(O)CCC1 1783514379 BQOIPGHKENLWTG-QZWWFDLISA-N 424.542 -0.110 50 20 HBGD CC(=O)C[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1783823756 HCDIRVOFEPMTJG-VBKZILBWSA-N 402.256 -0.575 50 20 HBGD CNC(=S)NCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](Cl)COC)C2)C1 1783877159 GQJRKWMFWGDPEV-LRDDRELGSA-N 406.936 -0.446 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](N)c1ccccn1)CCO2 1783933935 ODNHCNCHEVAMMC-AZUAARDMSA-N 418.498 -0.716 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnn3c1CCC3)CCO2 1783937518 SWOSRWQBQLUUKJ-HXUWFJFHSA-N 418.498 -0.354 50 20 HBGD C[C@H](C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)n1cccn1 1784526721 SVIWNMKXWAGCSD-BEFAXECRSA-N 406.487 -0.353 50 20 HBGD Cc1cnoc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786981148 VHSUTBVUROWNFH-XIRDDKMYSA-N 413.239 -0.430 50 20 HBGD CN[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](Cl)COC)[C@H]2C1)C(=O)O 1791251633 OHLFRRUDQXDWJG-QNSTZXKLSA-N 405.879 -0.717 50 20 HBGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)n(C)n3)C[C@@H]21 1791252081 BKSMQFCVCUYWBW-FMSGJZPZSA-N 400.863 -0.027 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3snnc3c1)C2)[C@H](O)CCl 1792980524 KYHIXPQQNDZYHD-LYIQGSDWSA-N 411.871 -0.111 50 20 HBGD Cn1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnccc2C(=O)NN)C3)c1=O 1793785963 SACUKXRWYHGNDW-BTTYYORXSA-N 424.461 -0.051 50 20 HBGD CCc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)no1 1801011826 IQWFZGCDCSWANH-IVWMJMPLSA-N 407.471 -0.187 50 20 HBGD CC(=O)NCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830726922 WQTKPASCJDRCQX-RDTXWAMCSA-N 419.906 -0.795 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ncccn3)C2)C1 1840150837 RPVMOAABFHSVNT-KSSFIOAISA-N 412.874 -0.271 50 20 HBGD O=C(c1ccc2c(n1)OCCO2)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011015 FXMHMYKBIPWUFV-UHFFFAOYSA-N 423.234 -0.337 50 20 HBGD CN(C)S(=O)(=O)c1cccc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 755367810 UJTHSPFMJJNWEU-SNVBAGLBSA-N 404.470 -0.476 50 20 HBGD Cn1cc(-n2cc(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)ccc2=O)cn1 760808049 KEBIJSKCCWSYME-UHFFFAOYSA-N 405.378 -0.379 50 20 HBGD CN(CC(=O)NNc1nccc(N2CCOCC2)n1)S(=O)(=O)c1cccnc1 762858118 ZGQFLTLGEYMEPR-UHFFFAOYSA-N 407.456 -0.528 50 20 HBGD CNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)c2scnc2C)c2ccccc2O1 764244852 KOXKPGTYOHZQFA-GFCCVEGCSA-N 403.420 -0.247 50 20 HBGD O=C(COc1ccccc1O)NNC(=O)C(=O)Nc1ccc2c(c1)NC(=O)CO2 764278408 YJUIPIFOJXLZBN-UHFFFAOYSA-N 400.347 -0.112 50 20 HBGD CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)C1 764615842 LTXKYGYVOXATQY-RYUDHWBXSA-N 405.473 -0.406 50 20 HBGD CS(=O)(=O)CC(=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 766662675 APOVEHKPRVBRPL-UHFFFAOYSA-N 402.904 -0.350 50 20 HBGD COCCO[C@H]1COCC[C@@H]1NC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 776844840 MYNSWBMFRSVSFO-GJZGRUSLSA-N 405.415 -0.573 50 20 HBGD COC(=O)c1ccc(OC)c(S(=O)(=O)NNC(=O)[C@@H]2CCc3nncn3C2)c1 793446972 KVDHDJKHLGCXAK-LLVKDONJSA-N 409.424 -0.355 50 20 HBGD Cc1nc(S(=O)(=O)NCCC(=O)NNC(=O)Nc2ccc3c(c2)OCO3)cn1C 802104560 GHHVLVBSNMNHCN-UHFFFAOYSA-N 424.439 -0.021 50 20 HBGD Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 811917175 AHCSSCANXCGMQL-NSHDSACASA-N 415.493 -0.369 50 20 HBGD CCOc1ccc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(O)c1 867654696 MRAFOCNYYLJTQT-UHFFFAOYSA-N 400.395 -0.312 50 20 HBGD Cc1c(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cnn1CCO[C@@H]1CCCCO1 1253694812 TVVRDSMBFYBXCN-DZGCQCFKSA-N 414.484 -0.070 50 20 HBGD COc1cc(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)nn1C 1320717947 NVBXFVKZSSNFBA-UHFFFAOYSA-N 409.472 -0.483 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)CC(F)(F)C(=O)O)CCO2 1783934966 NXHABUVZVJZEIL-MRXNPFEDSA-N 420.413 -0.701 50 20 HBGD COc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)n(C)n1 1783937023 ZYFMVIYZRRTPGO-LJQANCHMSA-N 422.486 -0.755 50 20 HBGD Cc1cccnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1793528274 QBCXAHYDWUKCAZ-HGKCTWBKSA-N 409.251 -0.413 50 20 HBGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1)C1(O)CCC1 1795732620 CSCTTZOCVHUKMS-NYCLONFESA-N 416.283 -0.879 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2)c1cnc(O)nc1O 1796348014 ZWLFPVCLAAOSES-BKFJMODKSA-N 419.207 -0.219 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CNC(=O)C1)C2 1796893808 VRMPVLGMUAOQDO-OVRUWJTLSA-N 414.466 -0.105 50 20 HBGD C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1797709813 MTOPLNKMGROISA-KRXQYRFLSA-N 410.515 -0.478 50 20 HBGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCCS1(=O)=O 1800395957 RAKKBMRRMCNJJQ-UJPOAAIJSA-N 423.329 -0.063 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)c1ccco1)C2 1801010756 URMKECGXFGHQDM-FVCICTRLSA-N 406.439 -0.575 50 20 HBGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)[C@@H]1C=CCN1 1808216683 YCNWPNUKLBYUEN-IHPCNDPISA-N 420.278 -0.391 50 20 HBGD CNC(=O)CC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1 1822410303 DVYOFGTWFZLEMR-ZDUSSCGKSA-N 407.475 -0.089 50 20 HBGD Cc1noc(C)c1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830726827 UDZBOOVIZIUKBN-CRAIPNDOSA-N 415.874 -0.110 50 20 HBGD COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cn1 1831943433 OLNXJPRHGZKNPZ-KBXCAEBGSA-N 413.858 -0.240 50 20 HBGD C=CC(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1835826542 MMTQDBKLRPLAEG-BBRMVZONSA-N 414.934 -0.152 50 20 HBGD O=C(/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1)NC1CC1 1837250905 SVSSSBPZNQJPIH-NSWPXQNRSA-N 403.838 -0.188 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(=S)NC)C2)C1 1839145529 LBWFINGGNLBYOP-SUMWQHHRSA-N 420.963 -0.056 50 20 HBGD Cn1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)n1 1839197672 FCYVWQRXBZULGW-HZMBPMFUSA-N 420.239 -0.424 50 20 HBGD CC(C)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CNC(=O)C3)CCO2)C1 1839867677 ZQABHPMBBPQAGA-FZKQIMNGSA-N 401.891 -0.156 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCC3)C2)C1 1840149327 LWLNTPUNCWQKGU-CRAIPNDOSA-N 403.907 -0.208 50 20 HBGD C[C@H](CBr)C(=O)N1CCCC12CN(C(=O)[C@@H](O)N1CCOCC1)C2 1841287953 PQLRFEHNFMPLOY-TZMCWYRMSA-N 404.305 -0.129 50 20 HBGD CS(=O)(=O)c1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H](O)CCl)nc1 1847556434 KWLARVULSMLYBC-IHRRRGAJSA-N 401.872 -0.100 50 20 HBGD Cn1c(=O)[nH]c(=O)c2[nH]c(CCC(=O)NNC(=O)c3cc(Cl)ccc3O)nc21 109413322 LPLPHYZKSADLCC-UHFFFAOYSA-N 406.786 -0.297 50 20 HBGD NS(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)CNC(=O)c2ccco2)c1 725902689 RDLXDFBMDIKUIK-UHFFFAOYSA-N 400.800 -0.229 50 20 HBGD Cc1csc(CC(=O)NNC(=O)COC(=O)Cn2cc([N+](=O)[O-])ccc2=O)n1 728733235 JYAIBBGIPQYERG-UHFFFAOYSA-N 409.380 -0.545 50 20 HBGD O=C(CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)[C@@H]1COc2ccccc2O1 742471015 ZOYWNHADAHVTIF-QUEVPRLRSA-N 401.375 -0.864 50 20 HBGD Cc1noc(C)c1S(=O)(=O)NC1(C(=O)NNC(=O)[C@@H]2COCCO2)CCCC1 746333725 ZLPNOBFQEHOMRZ-LBPRGKRZSA-N 416.456 -0.555 50 20 HBGD COc1ncnc(N(C)C)c1NC(=O)C(=O)NNC(=O)c1ccc2c(c1)OCCO2 764005430 XIMXEEKYSTUBIU-UHFFFAOYSA-N 416.394 -0.278 50 20 HBGD CCOCC(=O)NNC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F 764317250 HFGNLCDODGWTHB-UHFFFAOYSA-N 402.404 -0.512 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)/C=C/c2cccc(F)c2)n(C)c1=O 765732449 URGFMNHSLKMAMT-VOTSOKGWSA-N 400.370 -0.566 50 20 HBGD CC(C)(C)OC(=O)NCC(=O)NCC(=O)NNC(=O)Cc1cn2ccccc2n1 767042709 COKWWAMYVZXENL-UHFFFAOYSA-N 404.427 -0.335 50 20 HBGD Cc1nc(S(=O)(=O)NCC(=O)NNc2cccc(S(C)(=O)=O)c2)cn1C 776536399 AJMLUMNRBPMSEN-UHFFFAOYSA-N 401.470 -0.446 50 20 HBGD COC(=O)[C@H]1CN(C(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)c2ccccc2O1 783427254 QSUSGEFKPYHDPA-CXAGYDPISA-N 411.436 -0.848 50 20 HBGD CN1CCCN(c2ccc(NC(=O)C(=O)NN[C@]3(C)CCS(=O)(=O)C3)cc2)CC1 783427578 OTJSYKQJFGRLIO-LJQANCHMSA-N 423.539 -0.035 50 20 HBGD COC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)c(C)c1 784003037 OZYVXDXILJCCQQ-UHFFFAOYSA-N 406.395 -0.745 50 20 HBGD Cn1nnc(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)n1 787432421 QNYNESJEKROUAY-UHFFFAOYSA-N 408.444 -0.861 50 20 HBGD COC(=O)c1cc(OC)c(S(=O)(=O)NNC(=O)[C@@H]2CCc3nncn3C2)s1 793448597 VFHAGDUMDTUALD-MRVPVSSYSA-N 415.453 -0.293 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)NCCS(=O)(=O)CCc1ccccc1 799911890 MNHSGBKLQYHQCB-UHFFFAOYSA-N 422.463 -0.003 50 20 HBGD CCS(=O)(=O)N[C@@H](C)C(=O)NNC(=O)c1sc(N2CCOCC2)nc1C 816828303 AATRJKOADUADEF-JTQLQIEISA-N 405.502 -0.623 50 20 HBGD CC(C)NC(=O)C(=O)NNC(=O)c1sccc1S(=O)(=O)N1CCSCC1 921304117 HHPXJDFIPLXUMG-UHFFFAOYSA-N 420.538 -0.229 50 20 HBGD CC(C)OCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779029527 UDCIGHHZBIRYDQ-IBGZPJMESA-N 405.455 -0.446 50 20 HBGD Cc1cnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)cn1 1785986042 QOBNQUQFHNDNPO-IEZWGBDMSA-N 424.266 -0.628 50 20 HBGD C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786983602 SMUZUKDMWWCEKE-XIVBQZFQSA-N 416.283 -0.449 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)[C@H](O)CCl 1792981426 ZDSVHYREXNQNCK-YWBYPPGRSA-N 403.863 -0.295 50 20 HBGD Cn1c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)cccc1=O 1794928230 QZBMEDCYTUXQNY-BJWYYQGGSA-N 409.251 -0.369 50 20 HBGD COc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)nn1C 1796188449 HZUSQMISWPLRAZ-MUJYYYPQSA-N 412.255 -0.326 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1ncccn1)C2 1798440685 KHGHEWNFIHBOBK-BTTYYORXSA-N 409.450 -0.030 50 20 HBGD CS(=O)(=O)N1CCCC[C@@H]1C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 728847748 NTNHHKSKCNJFST-CQSZACIVSA-N 410.500 -0.346 50 20 HBGD COc1cc(N2C[C@H](C(=O)NNC(=O)c3cnn[nH]3)CC2=O)cc(OC)c1OC 729456739 DRJIXKHIWVQAEH-SECBINFHSA-N 404.383 -0.355 50 20 HBGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@H](NC(=O)C(C)(C)C)[C@H](C)O)n1 745702825 LGSXZHIUQOCGBA-IINYFYTJSA-N 414.484 -0.404 50 20 HBGD CS(=O)(=O)N1CCN(CCNC(=O)NNC(=O)c2c[nH]c3ccccc23)CC1 749352803 IKPUHNMSAFWTOU-UHFFFAOYSA-N 408.484 -0.311 50 20 HBGD COC(=O)COc1c(C)cc(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1C 752514362 ITRRSTUMCUEEAC-CYBMUJFWSA-N 413.452 -0.014 50 20 HBGD Cn1ccc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)n1 756292538 CHUWEFBHRKPWFR-UHFFFAOYSA-N 408.440 -0.093 50 20 HBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)Nc1ccc(S(=O)(=O)NC2CC2)cc1 756775802 KQJLAJXNCAALAN-SNVBAGLBSA-N 416.481 -0.285 50 20 HBGD CCc1nc(COc2ccc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc2)no1 758050975 DKXZGGYQVFMUEN-SNVBAGLBSA-N 411.440 -0.090 50 20 HBGD CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)C1 765071464 YVUPJIGNWALBFK-NWDGAFQWSA-N 420.488 -0.470 50 20 HBGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)CCN3CCOCC3)CC2)cc1 766640060 BKIXZBFFQZBWRN-UHFFFAOYSA-N 403.527 -0.018 50 20 HBGD O=C(/C=C\C(=O)Nc1ccc2n[nH]cc2c1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 778645590 JLOOFAWEFGPEFG-VSQXVHSFSA-N 406.424 -0.425 50 20 HBGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1nnn(Cc2ccccc2F)c1C 815570372 ATZJDHFXEXHARN-GFCCVEGCSA-N 422.417 -0.089 50 20 HBGD COc1ccc(-n2nnc(C(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)c2C)cc1 919884362 DZGPTNNPAZYCCI-LLVKDONJSA-N 408.440 -0.285 50 20 HBGD O=C(C[C@@H]1COC(=O)C1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1319226202 CGYKCXWLNKRVOR-LBPRGKRZSA-N 411.436 -0.578 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1778854131 VKNSMFNEOSDLBF-MEDUHNTESA-N 400.867 -0.597 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)C3CCSCC3)C2)C1 1785635861 NYJLPUJHBOPBAI-FQEVSTJZSA-N 418.324 -0.047 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cscn1)C2)c1cccc(B(O)O)c1 1795737583 YEOPVTVQUVJAND-YWVIFJGQSA-N 401.253 -0.660 50 20 HBGD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)cn1C 1796638404 QVHJKJOWQVLAPC-IZZQQSIFSA-N 411.267 -0.470 50 20 HBGD CN1CCN(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Cl)C3)C2)CC1 1836672234 PDAUQZCBXIOXGL-RDJZCZTQSA-N 406.886 -0.775 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)OC)C2)C1 1840151639 JKTPMAJKBCTSJW-GUYCJALGSA-N 406.863 -0.350 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(O)[nH]3)C2)C1 1840153086 CIZQOILOJSURST-BZNIZROVSA-N 402.835 -0.561 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)[C@@H]2C[C@H](O)CN2)C1 1845065467 CTLLKLOHHQZBAD-HSLPGBITSA-N 402.455 -0.953 50 20 HBGD Cc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)CNC(=O)c2ccco2)cc1 725739597 JTOWPJRCVQWTRJ-UHFFFAOYSA-N 408.436 -0.166 50 20 HBGD CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 728461259 VGFWSSAVJURQIS-IUODEOHRSA-N 422.463 -0.234 50 20 HBGD Cc1ncsc1C(=O)NNC(=O)COCC(=O)NNC(=O)c1scnc1C 729661741 LFYOZBFWTDIKOY-UHFFFAOYSA-N 412.453 -0.545 50 20 HBGD O=C(NNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCC1 732047905 KGNSHUVEWSOEPZ-UHFFFAOYSA-N 403.482 -0.183 50 20 HBGD O=C(CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)c1ccc2c(c1)OCCO2 742503200 UTSXMQIRMYEJLB-KFZJALRRSA-N 415.402 -0.229 50 20 HBGD O=C(CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)CNC(=O)c1cccs1 742612068 HWPVDQXFBZGYBB-IDMWTJEOSA-N 420.447 -0.822 50 20 HBGD Cn1nc(SCC(=O)NN=C2CCOC[C@@H]2CN2CCCCC2)c(=O)n(C)c1=O 787151342 BIUHCFWEGDSLKE-ZDUSSCGKSA-N 424.527 -0.434 50 20 HBGD O=C(NNC(=O)c1cc(F)ccc1N1CCOCC1)N[C@H]1CCS(=O)(=O)C1 1318312047 KSSRJWXIXSICDT-LBPRGKRZSA-N 400.432 -0.207 50 20 HBGD CCC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783933288 GKEJBCFJFQIVNO-IFXJQAMLSA-N 411.503 -0.896 50 20 HBGD CCOCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788610862 XVRWQNGFOKJIIX-RCBQFDQVSA-N 405.455 -0.685 50 20 HBGD Cn1cc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)cn1 1796218484 KYMXJAXYBBUVFA-REPLKXPHSA-N 410.283 -0.016 50 20 HBGD CCOC(=O)/C=C/C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801013318 NSKVTVHDMQPGHZ-NMNKZJFKSA-N 410.471 -0.932 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CC(=O)C1 1802011765 KNAWOAWRVVMVCK-KKBHZMJRSA-N 415.450 -0.311 50 20 HBGD CN(C)C(=O)C(=O)N1CCCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1 1809576210 OAXBNUZYHRMKRP-UHFFFAOYSA-N 401.272 -0.701 50 20 HBGD CC(=O)N[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809973199 ADEQSEAKKNVDDJ-HNNXBMFYSA-N 415.299 -0.264 50 20 HBGD COC[C@H](Cl)C(=O)N[C@H]1CCc2nc(NC(=O)CC[C@H](N)C(N)=O)sc2C1 1815068036 LLGBPODLCZUMKC-GUBZILKMSA-N 417.919 -0.098 50 20 HBGD Cn1ccc(=O)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1838529237 SGMYLBWZUTWMBM-CRAIPNDOSA-N 413.858 -0.945 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CC)NC(N)=O)C2)C1 1839144769 KGGDXULVQFTITC-DCGLDWPTSA-N 404.895 -0.093 50 20 HBGD CC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1839860443 VUWMBKWYGLCOGV-JKSUJKDBSA-N 410.298 -0.185 50 20 HBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1839865546 HKRQWNNEYQOSKS-XHDPSFHLSA-N 406.277 -0.508 50 20 HBGD C[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CNC(=O)C1)CCO2 1839871369 GZTSMEMJXXIOKD-MKBNYLNASA-N 418.288 -0.638 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(C)noc3N)C2)C1 1840152029 URIKGKWAGYEDCG-SJKOYZFVSA-N 416.862 -0.111 50 20 HBGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1cnnn1)CCO2 1840478741 ADJHHKKOAPLNEG-DVOMOZLQSA-N 400.867 -0.292 50 20 HBGD Cn1c(=NNC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)sc2ccccc21 741145999 ZAQYBUGOQCJYJU-UHFFFAOYSA-N 409.449 -0.158 50 20 HBGD COc1cc(C(=O)NNC(=O)NCCS(=O)(=O)NC(C)C)cc(OC)c1OC 746511805 ISGAHWWCVGETSL-UHFFFAOYSA-N 418.472 -0.016 50 20 HBGD CC[C@@H](NC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12)C(=O)N1CCOCC1 753047089 NLEQCQIIDYKGMI-CQSZACIVSA-N 416.438 -0.485 50 20 HBGD O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NNC(=O)CNC(=O)c1cccnc1 763823696 DXIZAWDVIXZIME-KBPBESRZSA-N 401.423 -0.476 50 20 HBGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1cccc(N2CCCS2(=O)=O)c1 763826232 XQQVVGGLVQWGGI-UHFFFAOYSA-N 417.447 -0.188 50 20 HBGD CC(C)n1ncc2ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc21 764227449 OOIZOXYHDKEFMT-SNVBAGLBSA-N 410.456 -0.359 50 20 HBGD Cc1ccc(Br)c(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 764228144 UVNDEVLJMQJMOW-QMMMGPOBSA-N 421.273 -0.219 50 20 HBGD CCNS(=O)(=O)c1ccc(CNC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)cc1 764372917 FGTXCWGAUINHBC-HNNXBMFYSA-N 404.514 -0.134 50 20 HBGD COc1ccc(-c2cc(C(=O)NNC(=O)CN3CCC(=O)NC3=O)n[nH]2)cc1OC 768280379 ZCUSLNRSLKVVIC-UHFFFAOYSA-N 416.394 -0.203 50 20 HBGD CCc1cccc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1O 768292257 XMEVDRVOGWRWTB-UHFFFAOYSA-N 400.395 -0.837 50 20 HBGD CN(C)S(=O)(=O)CCCS(=O)(=O)NNC(=O)c1ccc2c(c1)OCCO2 769650189 GMPRGGMOOUQSLT-UHFFFAOYSA-N 407.470 -0.697 50 20 HBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c1c(C)nn(C)c1C 788159086 VBMVGISUYDDAIE-NSHDSACASA-N 419.504 -0.360 50 20 HBGD CNS(=O)(=O)N1CCC(C(=O)NNC(=O)c2ccc(OC)c(OC)c2)CC1 794759443 JQWVRZQRCBSYSZ-UHFFFAOYSA-N 400.457 -0.359 50 20 HBGD Cc1cc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)c(=O)n(C)c1 797368892 IMDBPKBOPUBERJ-UHFFFAOYSA-N 415.406 -0.294 50 20 HBGD O=C(Cn1nc2n(c1=O)CCCCC2)NNC(=O)c1csc(N2CCOCC2)n1 1322437449 VDILZFDQEDTANI-UHFFFAOYSA-N 421.483 -0.475 50 20 HBGD O=C1NCCn2nc(C(=O)N3CCO[C@]4(CCN(C(=O)C(Cl)Cl)C4)C3)cc21 1783947152 MPJNPBVHFYCMKV-INIZCTEOSA-N 416.265 -0.126 50 20 HBGD Cc1cnoc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1789124986 GDNYFKHRBZAYII-XIRDDKMYSA-N 413.239 -0.430 50 20 HBGD O=C1C[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]3C2)CN1 1789924788 DMINKLYDNNOOPM-XGZQDADWSA-N 406.252 -0.207 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc[nH]n1 1793504101 XNNIBOQZMBQWAH-UOEJNGGWSA-N 413.438 -0.253 50 20 HBGD Cc1ncccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795737579 XTRMETRODDFSDO-HGKCTWBKSA-N 409.251 -0.413 50 20 HBGD CC(C)N1CCC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801012169 JZANRJAVILKXFB-CLWJZODNSA-N 423.558 -0.178 50 20 HBGD O=C1CN(CC(=O)N2CCCC3(CCN(C(=O)[C@@H](O)CCl)CC3)C2)C(=O)N1 1806688439 XRUOICRUBMDZNP-LBPRGKRZSA-N 400.863 -0.631 50 20 HBGD CN(C)CC(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807363026 LLKPEOSBXPWFRN-YLJYHZDGSA-N 410.283 -0.357 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCCC2(CCN(C(=O)C3CC(O)C3)CC2)C1 1809977938 NHEIFTXBZLFKJK-UHFFFAOYSA-N 400.284 -0.018 50 20 HBGD O=C1NC(=O)[C@H](CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H](O)CCl)CC2)N1 1825071207 OMICQDHODHKEQS-BFHYXJOUSA-N 414.890 -0.196 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@@H]1C1CC1)CCO2 1830505647 LKWJIDTYJPPTEJ-WWMYMODYSA-N 422.526 -0.138 50 20 HBGD Cn1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Cl)C3)C2)c1=O 1831885284 MHCXZGGZZHTOGF-SUMWQHHRSA-N 401.822 -0.010 50 20 HBGD O=C(C1=CCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1834678720 SAOWWKMJHHUALP-OAQYLSRUSA-N 414.267 -0.453 50 20 HBGD CN1CCN(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C(Cl)Cl)C3)C2)CC1 1836676368 INKOSTVWUOLPSZ-KRWDZBQOSA-N 423.341 -0.506 50 20 HBGD C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CCCC12CN(C(=O)[C@@H](O)CCl)C2 1841223294 RXLMIOUEIXSRNC-KBMXLJTQSA-N 423.897 -0.031 50 20 HBGD Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNC(=O)CN3CCCC3=O)C2=O)cc1 726717383 TYENQHFHDOPUAO-LJQANCHMSA-N 401.423 -0.468 50 20 HBGD CN(CC(=O)NNC(=O)c1ccccc1Cl)CC(=O)N[C@H]1CCS(=O)(=O)C1 744388187 NWHGCNSABSCACA-NSHDSACASA-N 416.887 -0.664 50 20 HBGD CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NNC(=O)CO 753443781 ADROWSPJYJXNIZ-HNNXBMFYSA-N 401.441 -0.710 50 20 HBGD CC(CN1C(=O)CCC1=O)=NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 754900777 LHSFQXZEZPONIN-UHFFFAOYSA-N 422.463 -0.038 50 20 HBGD COc1nc(Cl)c(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)s1 755620283 VSYDTASLMIJMSA-UHFFFAOYSA-N 404.861 -0.160 50 20 HBGD CC(C)(C)OC(=O)N1CCN(CC(=O)NNC(=O)C(=O)Nc2ccccn2)C(=O)C1 758830964 KWBXBZLIAIUBTF-UHFFFAOYSA-N 420.426 -0.753 50 20 HBGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)n1 763880642 IVTTYUIYZBVZEN-UHFFFAOYSA-N 407.452 -0.002 50 20 HBGD O=C(CSc1ccccc1O)NNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 764046759 AUFFDMQQTGVAPU-CQSZACIVSA-N 422.507 -0.188 50 20 HBGD CS(=O)(=O)N1CCC[C@@H]1C(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772897727 LJNUIUIGYSKGML-GFCCVEGCSA-N 402.860 -0.472 50 20 HBGD COc1ccnc(NNC(=O)C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)n1 773726590 NNKIJPMFXRZOSG-UHFFFAOYSA-N 420.451 -0.232 50 20 HBGD NC(=O)CC[C@H](C(=O)NNC(=O)NCC(F)(F)F)N1C(=O)c2ccccc2C1=O 798315422 HQTZDQUCNFDCFS-SNVBAGLBSA-N 415.328 -0.191 50 20 HBGD CSC[C@@H](C)C(=O)N1CCC(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)CC1 1321356169 DCYGFDYUBTVXDL-GHMZBOCLSA-N 408.546 -0.691 50 20 HBGD O=C(CCBr)N1CCO[C@@]2(CCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1779090736 SASNGPYZAMCGKW-HOCLYGCPSA-N 420.304 -0.748 50 20 HBGD CN1CCC[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)C1 1780996941 HVOUEPOCYNWXOZ-UTKZUKDTSA-N 415.299 -0.848 50 20 HBGD Cc1cc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)no1 1784361764 VCYKMSLGLZEZHV-HXUWFJFHSA-N 413.239 -0.651 50 20 HBGD O=C1CC[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](F)Br)C[C@@H]32)N1 1786572517 XQKVRDVYNIIGAE-CCJOIDDDSA-N 406.252 -0.065 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cnnn3)[C@H]2C1 1787092353 OQJVTXZVYHFMMP-JUFZMCDQSA-N 405.286 -0.111 50 20 HBGD O=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4ccc(B(O)O)cc4)CCC3)cc2)=NN1 1789475601 CBTYPJFXTFPPKA-UHFFFAOYSA-N 420.234 -0.010 50 20 HBGD N=C1NCCN1CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]2C1 1789922723 OURCPFTXCXCRLE-ZPFDUUQYSA-N 420.283 -0.503 50 20 HBGD C[C@@H](Br)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)n2[nH]nnc2n1 1796574375 PHEFOYDVINYKNB-DOLQZWNJSA-N 424.259 -0.152 50 20 HBGD Cc1ocnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1798265766 FCMLQSZXXYLCJI-DRXBFXEBSA-N 414.422 -0.501 50 20 HBGD C[C@@H](Br)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN(C)C(=O)C(=O)O)C2 1801967166 ZYNVRLVKIQPUOW-CHWFTXMASA-N 404.261 -0.049 50 20 HBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](O)CCl)C2 1802837861 NAUJOACLCDURAY-DPZJBDQQSA-N 411.890 -0.305 50 20 HBGD NC(=O)[C@H](N)CCC(=O)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@H]1c1cccnc1 1807192702 XHDHAWDBQVKWOB-NHIYQJMISA-N 411.890 -0.720 50 20 HBGD C[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1812858575 VOUDTDRORHGHOZ-JDFRZJQESA-N 412.450 -0.220 50 20 HBGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1822416982 UQENIFLFDOYKBZ-CYBMUJFWSA-N 404.427 -0.137 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cncnc3)CCO2)C1 1833123598 HWKQODOZVCTLEN-QAPCUYQASA-N 412.874 -0.271 50 20 HBGD COCCC(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834561991 RBCARWRKGCUKLY-UHFFFAOYSA-N 417.315 -0.412 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)n(C)n3)C2)C1 1840150036 FBSABRBCTREWHT-SJCJKPOMSA-N 416.862 -0.551 50 20 HBGD Cc1ccc(OCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1C 15886711 HJNCMLWRIZHCCN-UHFFFAOYSA-N 414.422 -0.723 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)NCCS(=O)(=O)NCc1ccccc1 725870151 AWMXKNAETIXQKO-UHFFFAOYSA-N 423.451 -0.541 50 20 HBGD Cn1ccnc(NNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1=O 747938399 UZORYBKOHJSVGW-ZDUSSCGKSA-N 422.423 -0.015 50 20 HBGD C[C@H](CNC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1)S(C)(=O)=O 754674565 KSFOTWPXYPHNLV-OAHLLOKOSA-N 411.528 -0.038 50 20 HBGD COC(=O)N(C)Cc1ccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1 756609534 DIFJMVVYWHIKPT-JTQLQIEISA-N 401.445 -0.025 50 20 HBGD COc1ncnc(N(C)C)c1NC(=O)C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 763444952 DEZYJSAMOOYFQA-UHFFFAOYSA-N 403.355 -0.141 50 20 HBGD CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)C2CC2)c1 763561384 GCDZFAPRJGRYRQ-STZFKDTASA-N 407.452 -0.005 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cnn(-c2ccccc2F)c1 764225676 CAIUWPLDUNJSGB-SECBINFHSA-N 412.403 -0.965 50 20 HBGD NC(=O)CCOc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2O)cc1 764278141 SOQNMQTXNUIUBN-UHFFFAOYSA-N 416.390 -0.189 50 20 HBGD C[C@H]1CN(Cc2cccc(NC(=O)C(=O)NNC(=O)[C@H]3COCCO3)c2)C[C@@H](C)O1 764425270 OHNWGBLCBPFYHY-JKIFEVAISA-N 420.466 -0.203 50 20 HBGD C[C@H]1CN(CCC(=O)NNC(=O)c2cc(S(=O)(=O)N(C)C)cn2C)C[C@H](C)O1 779158690 PJYQTWJLUGKTQH-STQMWFEESA-N 415.516 -0.464 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNS(=O)(=O)c2c(C)cnn2C)cc1 795280240 LKEHJUDWPBCSHU-UHFFFAOYSA-N 415.497 -0.333 50 20 HBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1cnn2c1OCCC2 815826785 ARACZQQQPCCIGH-UHFFFAOYSA-N 412.450 -0.115 50 20 HBGD O=C(NNC(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1)N[C@H]1CCS(=O)(=O)C1 919883757 CIMDBQAAWRHXCK-HOTGVXAUSA-N 422.507 -0.015 50 20 HBGD C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NNC(=O)CN2CCCC2=O)C1=O 920435553 JHBUUCRDUMYMFO-SFHVURJKSA-N 405.386 -0.638 50 20 HBGD C[Si](C)(C)OCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCO2 1779297167 UERXXEBNYYLIHC-AEFFLSMTSA-N 415.563 -0.682 50 20 HBGD COC[C@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)Br)CCO2)C1 1779317810 KAVBPORDEZIWSM-RBOXIYTFSA-N 420.304 -0.249 50 20 HBGD C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1)n1cnnn1 1781334434 NHPMTALYABESOW-NRUUGDAUSA-N 405.228 -0.246 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)c1ccccc1)CCO2 1783933718 FNSBLBIJFOTIJU-FPOVZHCZSA-N 418.494 -0.077 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)[C@H]2C1 1791093395 SKCATETUZAEFOP-IZPLOLCNSA-N 422.526 -0.093 50 20 HBGD Cc1n[nH]c(C)c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791290979 GDJCRGMREHCFCB-JYJNAYRXSA-N 420.514 -0.007 50 20 HBGD CC[C@H](C)[C@@H](N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1795547740 GDGIDVGNRGCSGJ-HNKZQRQQSA-N 418.498 -0.738 50 20 HBGD COc1ccccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795734979 DMSIFTYWGUCRRX-CWPLJXCYSA-N 424.262 -0.108 50 20 HBGD Cc1cc(C)nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c1 1795739142 YATYGLVZDIODKZ-XEMDLRDOSA-N 423.278 -0.105 50 20 HBGD CNC(=S)NCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796188695 JVIFWIPKHXTSQT-MUJYYYPQSA-N 418.328 -0.898 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[C@H]1CCC=CO1 1797718410 MPWNRPSOVUNXRF-CYGHRXIMSA-N 400.240 -0.738 50 20 HBGD Cc1ccc(O)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c1 1798840117 ZPOOEMQOIODUGN-CWPLJXCYSA-N 424.262 -0.103 50 20 HBGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCNC1=N)C2 1800638877 BRYWQHABMPEZOZ-OPDFLTKYSA-N 416.320 -0.411 50 20 HBGD CN[C@H](CC(=O)N1CC[C@H](CNC(=O)[C@H](O)CCl)[C@H]1c1cccnc1)C(=O)O 1803138638 MCJYIUMBSORXSW-IXYNUQLISA-N 412.874 -0.250 50 20 HBGD Cn1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1=O 1830727045 ZTFSZRFFBSZATE-KDOFPFPSSA-N 413.858 -0.945 50 20 HBGD CN[C@H](CC(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1)C(=O)O 1833309100 NNGIOVVKZYUJLT-CABCVRRESA-N 418.922 -0.780 50 20 HBGD N=C(N)NCC(=O)NC1CCN(C2CCN(C(=O)[C@@H](F)Br)CC2)CC1 1834679083 ONNIJAZKCPBQEU-CYBMUJFWSA-N 421.315 -0.268 50 20 HBGD O=C(c1cc(O)n[nH]1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1835857344 XLKIJDVHPTUFAJ-RISCZKNCSA-N 421.223 -0.124 50 20 HBGD C[C@H](Cn1cncn1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1837643909 YHTTZQFOEVQGSN-XJKCOSOUSA-N 403.842 -0.095 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc[nH]1)CCO2 1837789937 QDTGNNWQQOTHIX-IBGZPJMESA-N 407.471 -0.542 50 20 HBGD CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)nn1C 1838271329 ABTCSWGYANOUMR-QAPCUYQASA-N 414.890 -0.348 50 20 HBGD C[C@H](NC=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1839154166 FDBPYZAVOUUJKE-APHBMKBZSA-N 410.298 -0.186 50 20 HBGD C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839173489 UJEUEXMAEPNRAP-KDOFPFPSSA-N 418.874 -0.448 50 20 HBGD O=C(CNC(=O)C(F)(F)F)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1840202680 DYVIFKDUPLFGSK-MFKMUULPSA-N 419.759 -0.344 50 20 HBGD CC(=O)N[C@H](C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1)C(C)(C)C 1843013134 NFTWQKOCKCOGGN-QGZVFWFLSA-N 415.299 -0.266 50 20 HBGD CCc1ccc(C(=O)NNC(=O)C(=O)NC2CC2)cc1S(=O)(=O)N1CCOCC1 23109659 JWJYGRQJKXZHKI-UHFFFAOYSA-N 424.479 -0.691 50 20 HBGD NC(=O)c1ccc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)s1 728340981 UZLLAMLUMQEHOB-LLVKDONJSA-N 405.388 -0.009 50 20 HBGD NC(=O)CNS(=O)(=O)c1ccc(C(=O)NNC(=O)CCCc2cccs2)o1 746254445 TVZAQJKOYZFEEB-UHFFFAOYSA-N 414.465 -0.111 50 20 HBGD NS(=O)(=O)c1ccc(CCC(=O)NNC(=O)CNC(=O)c2cccs2)cc1 751208271 BEGBXXHIZMDATG-UHFFFAOYSA-N 410.477 -0.095 50 20 HBGD Cc1ccc(N2C[C@@H](C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)CC2=O)cc1F 758037252 YQXDYZXBTHJBNQ-MNOVXSKESA-N 400.432 -0.428 50 20 HBGD COC(=O)c1ccc(Cl)cc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764228164 VBXYRNOYJWAUBE-SSDOTTSWSA-N 420.831 -0.850 50 20 HBGD CCOC(=O)NNC(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 765410397 XRVNMCDFBSMVIK-CQSZACIVSA-N 406.395 -0.583 50 20 HBGD NC(=O)NC1(C(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)CC1 767354424 RIPTWUJBNXJPNF-UHFFFAOYSA-N 408.890 -0.194 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cccn3c(O)nnc23)c1 770549847 KUUNDYSRSKHCFM-UHFFFAOYSA-N 404.408 -0.240 50 20 HBGD O=C(COC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)NNC(=O)c1cccs1 785657018 WYFJFDAZMIRKGJ-ZDUSSCGKSA-N 424.479 -0.767 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H](CCS(C)(=O)=O)c1ccccc1 790641958 NHALGOCVICSTQO-YPMHNXCESA-N 405.498 -0.710 50 20 HBGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 793031349 QPDFDUHBBVLCTH-SNVBAGLBSA-N 417.172 -0.141 50 20 HBGD NS(=O)(=O)CC1CCN(C(=O)NNC(=O)CNC(=O)c2cccs2)CC1 799911722 JEFJPCRHUYCADK-UHFFFAOYSA-N 403.486 -0.781 50 20 HBGD C[C@H]1C[C@@H](N2CCOCC2)CN1C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 804869095 SXNITVHGUMJHIS-XJKSGUPXSA-N 400.443 -0.188 50 20 HBGD O=C(CNS(=O)(=O)c1ccc(Cl)cc1)NNC(=O)C(=O)Nc1ccccn1 810528076 PVTYWKIZSLDYMA-UHFFFAOYSA-N 411.827 -0.201 50 20 HBGD O=C(CN1CCN(C(=O)C(=O)N2CCCC2)CC1)NNC(=O)c1cccc(Cl)c1 917130301 FISNHNAFIIGBAT-UHFFFAOYSA-N 421.885 -0.132 50 20 HBGD CCS(=O)(=O)N1CCC[C@H](C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)C1 918565756 TZWBPYHPFVVZKT-ZDUSSCGKSA-N 417.509 -0.087 50 20 HBGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)CSCC(=O)N2CCOCC2)c1 920286638 NRQSVDWIJYQGGN-UHFFFAOYSA-N 415.493 -0.557 50 20 HBGD O=C(CN1CCCC1=O)NNC(=O)c1sccc1S(=O)(=O)N1CCCC1 920435915 PCFBUMZEZIZROB-UHFFFAOYSA-N 400.482 -0.084 50 20 HBGD Cc1nc[nH]c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786982897 GTXYUGOYBHWERN-XIRDDKMYSA-N 412.255 -0.695 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(Cl)Cl)C2)c1ccc(B(O)O)cc1 1795736709 GUKBWCCIFHXQEE-PTEHBNRSSA-N 401.055 -0.627 50 20 HBGD Cc1nscc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795737205 DEDXRNIZOUFNLC-XOIINTDNSA-N 415.280 -0.352 50 20 HBGD CC(=O)NCC(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1812624690 OMGBIIYOMAFTIP-OXJNMPFZSA-N 418.498 -0.404 50 20 HBGD O=C1NC(=O)[C@H](CC(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H](O)CCl)CC2)N1 1824178856 LTUXYRPPMQQSMC-MJBXVCDLSA-N 414.890 -0.196 50 20 HBGD CC(C)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CNC(=O)O3)CCO2)C1 1831563455 FCZKLTXACWLLFL-YVEFUNNKSA-N 403.863 -0.184 50 20 HBGD CC(=O)NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840035350 OAFAFEDMSGLPOZ-WBMJQRKESA-N 420.304 -0.248 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(F)CC3)C2)C1 1840185981 VEYXWVZCSAQSOY-KRWDZBQOSA-N 400.451 -0.682 50 20 HBGD Cc1csc(CC(=O)NNC(=O)CN2CCN(CC(=O)N3CCCC3)CC2)n1 21672017 STDHNAHOVDGARX-UHFFFAOYSA-N 408.528 -0.619 50 20 HBGD Cn1nc(C(=O)NNC(=O)NCCN2CCOCC2(C)C)c2ccccc2c1=O 728399067 CFNRGRAQIMFJOL-UHFFFAOYSA-N 402.455 -0.012 50 20 HBGD CCOC(=O)c1cc(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)ccc1F 728510810 VFIBUVNTZJVNQF-QMMMGPOBSA-N 411.433 -0.750 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 758041537 ZZIORKBXYOWZSR-WCQYABFASA-N 414.459 -0.237 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCc2ccnn2C)cc1 763160487 FNMBJDPUZUZIOH-UHFFFAOYSA-N 408.484 -0.078 50 20 HBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)CC#N)c(=O)n2Cc1ccccc1 763239541 YMSMNRVOSJRJOQ-UHFFFAOYSA-N 409.406 -0.511 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CCc2ccccc2Cl)n(C)c1=O 765730494 LMUSUGLZJFMIPG-UHFFFAOYSA-N 418.841 -0.133 50 20 HBGD CCCCn1nc(C(=O)NNC(=O)NCCS(=O)(=O)NC)c2ccccc2c1=O 784658977 UXNLEKIUPWBIOO-UHFFFAOYSA-N 424.483 -0.310 50 20 HBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)[C@H]2CCC[C@H](C(N)=O)C2)CC1 788000641 IIDNXWVNPSTYPA-KBPBESRZSA-N 424.527 -0.248 50 20 HBGD C[C@H](Oc1ccc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)cc1)C(=O)O 794886903 QAMBYSKHNRYJRZ-JTQLQIEISA-N 421.435 -0.427 50 20 HBGD CCOC(=O)NNS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)OCC)cc1 811675190 GAMZQNDRRTUEJH-UHFFFAOYSA-N 410.430 -0.435 50 20 HBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCn2ncn(C)c2=O)c1 814698685 OGKSTGMOZMGGFR-UHFFFAOYSA-N 424.483 -0.536 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)N(C)C)[C@H]2C1 1783676995 OSRBUGUKQDWIOX-FQUUOJAGSA-N 404.895 -0.509 50 20 HBGD CS(=O)(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1784747576 ZOMUGRWHGKCWHV-AAEUAGOBSA-N 415.281 -0.059 50 20 HBGD CN1N=C(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)CCC1=O 1784974913 DSZNKUCMPHWOEJ-IMIFBBOLSA-N 400.863 -0.826 50 20 HBGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(C)(=O)=O 1795358455 ODIMROQWRDCEAZ-HNCHTBHHSA-N 411.318 -0.348 50 20 HBGD CCS(=O)(=O)CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796189834 GLPIDAMRAJQJEV-MUJYYYPQSA-N 408.285 -0.947 50 20 HBGD COC[C@@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Br 1799350123 QXHNUHGKKUQPCN-MLGHIDQZSA-N 424.267 -0.582 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)[C@H]1CC(c2ccccc2)=NN1 1800153790 ULEOGRAYFDBZIG-WTNVTLLGSA-N 420.897 -0.058 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1csc(N)n1)C2 1801013436 WVDDZIYYOIMLSL-QHBPRCKVSA-N 410.500 -0.699 50 20 HBGD CN(C)C(=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1814620395 UIWXEFQTHVLHOI-LBPRGKRZSA-N 416.268 -0.863 50 20 HBGD Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)nn1C 1830719682 HIFLMFQKRPLAJW-QAPCUYQASA-N 414.890 -0.673 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CNC(=O)O1)CCO2 1831572868 ZWKZFUYCOHVONR-SUMWQHHRSA-N 415.519 -0.597 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835347663 BLXFBPCZMVTVPO-IBGZPJMESA-N 407.471 -0.880 50 20 HBGD CCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939979 RJONROIRUFKSLB-OAQYLSRUSA-N 418.299 -0.127 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)CCC(N)=O)CC2)CC1 1836532013 FISVMBPWBSQBBS-UHFFFAOYSA-N 424.546 -0.804 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@]1(C)CCCN1)CCO2 1839124079 CXSDYMQKVMFTFZ-BMGDILEWSA-N 403.907 -0.161 50 20 HBGD Cc1nn[nH]c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Br)CCO2 1840032352 VXGDRGMSLAIKKZ-ZUZCIYMTSA-N 416.276 -0.033 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CSCC(=O)O)CCO2)C1 1840194423 NHACQSNMSIEOIZ-MLGOLLRUSA-N 424.903 -0.486 50 20 HBGD O=C(NCC(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1)c1cccnc1 1843013047 BYCCTKLSDSJWKN-UHFFFAOYSA-N 422.250 -0.992 50 20 HBGD CCN(CC)S(=O)(=O)c1ccc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 16785668 WHFKDEZKLYWGRQ-CYBMUJFWSA-N 417.509 -0.087 50 20 HBGD CC(C)NS(=O)(=O)c1ccc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 16786041 HRGRAEWPLHMPLW-LBPRGKRZSA-N 403.482 -0.431 50 20 HBGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cc1 17193671 PVYKFNPUYCPDRL-UHFFFAOYSA-N 415.431 -0.084 50 20 HBGD O=C(NCCS(=O)(=O)N1CCOCC1)NNC(=O)c1ccc2ccccc2n1 52303466 QATSJBPCBNPXMV-UHFFFAOYSA-N 407.452 -0.159 50 20 HBGD CCOCCO[C@@H](C)C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 735118207 NEMUOKPVMCCQSQ-AWEZNQCLSA-N 415.516 -0.098 50 20 HBGD CCN(CC)CC(=O)N1CCN(CC(=O)NNC(=O)c2ccc(C#N)cc2)CC1 744398880 SFPICUVILYHUSP-UHFFFAOYSA-N 400.483 -0.195 50 20 HBGD CC(C)OCCS(=O)(=O)NCC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 747905903 ANDCRXGARMUAJG-UHFFFAOYSA-N 421.497 -0.805 50 20 HBGD CCn1c(S)nc2cc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)ccc2c1=O 758049391 ZJMSMVWALVDDTN-MRVPVSSYSA-N 413.481 -0.596 50 20 HBGD CNS(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)Cn2nc(C)cc2C)ccc1C 763886778 YHUYMEZTUSVJAL-UHFFFAOYSA-N 422.467 -0.497 50 20 HBGD Cn1ncc2c(O)nc(NNC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)nc21 770984892 VDJCOIYBCCCSDB-UHFFFAOYSA-N 416.423 -0.359 50 20 HBGD Cc1nc(S(=O)(=O)NCCC(=O)NNc2cccc(S(C)(=O)=O)c2)cn1C 776538030 RJIFTCZZNNFFET-UHFFFAOYSA-N 415.497 -0.056 50 20 HBGD COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)NN(C)C(N)=O)c1OC 778412347 NVBSVCWFYDIXTN-UHFFFAOYSA-N 402.429 -0.620 50 20 HBGD Cc1noc(C)c1S(=O)(=O)NCC(=O)NNC(=O)CNC(=O)c1cccs1 810308535 DLOFFQRCQMSTSP-UHFFFAOYSA-N 415.453 -0.791 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NN=C2COc3c(Cl)cccc32)n(C)c1=O 814877446 OOZBTNFUDVPRFL-UHFFFAOYSA-N 402.798 0.000 50 20 HBGD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NNC(=O)[C@@H]1CCc2nncn2C1 816885740 HSEIYANVHYAQRP-SECBINFHSA-N 413.350 -0.808 50 20 HBGD Cn1cnnc1SCc1ccc(C(=O)NNC(=O)CN2CCCS2(=O)=O)cc1 916102345 CRMJLMBTTYZKIF-UHFFFAOYSA-N 424.508 -0.096 50 20 HBGD C[Si](C)(C)OCC(=O)N1CC[C@]2(CN(C(=O)CNCP(=O)(O)O)CCO2)C1 1779296152 LLPLBXJRRCRNSJ-OAHLLOKOSA-N 423.479 -0.607 50 20 HBGD COC[C@@H](NC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1779315510 KBNJNVAZEVBFJH-QAPCUYQASA-N 415.563 -0.181 50 20 HBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Cl)[C@H]2C1 1787443130 AEHGAMVCLUNWHE-QNWJLWSRSA-N 413.899 -0.172 50 20 HBGD CCC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNCP(=O)(O)O)C2 1793447091 GPKBPGUAFWVJGP-GFQSEFKGSA-N 411.823 -0.292 50 20 HBGD Cc1ncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)s1 1795734677 ZODGRSHSDXJAQI-XOIINTDNSA-N 415.280 -0.352 50 20 HBGD Cc1ccn(C)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795735298 XAVPURQOJUJEMI-ALXJQNPVSA-N 411.267 -0.470 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(Cl)Cl 1801017243 ZHQQHHWOXMKMMS-BZBKMWRSSA-N 416.265 -0.308 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)C=CC1=O 1801119491 DPXZWDFIUCHHOV-RERORNDZSA-N 418.277 -0.263 50 20 HBGD O=C(/C=C/c1cnccn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1801445833 GFCLYGGUDTUUIJ-INOXAESOSA-N 422.250 -0.927 50 20 HBGD CNC(=O)CC(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807360009 OEWFEEDBXCCZGG-OXJNMPFZSA-N 424.266 -0.783 50 20 HBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)Cn2cncn2)[nH]n1)c1ccc(B(O)O)cc1 1817471244 IBKIBYKPDOOBBO-INIZCTEOSA-N 423.242 -0.313 50 20 HBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840044039 IXLMCQUSOOPZOK-XHDPSFHLSA-N 403.229 -0.686 50 20 HBGD CN1CCC(C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)CC1 1844263305 OUUGWHUASVASJX-UHFFFAOYSA-N 400.483 -0.156 50 20 HBGD O=C(CN1CCSCC1)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(B(O)O)cc1 1847247626 UMSQKLYPRQDAIJ-IRXDYDNUSA-N 403.313 -0.769 50 20 HBGD CCn1c(NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)nc2ccccc2c1=O 10322808 IXGZAMAGWDQNJR-UHFFFAOYSA-N 424.421 -0.693 50 20 HBGD CN(CC(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1)[C@@H]1CCS(=O)(=O)C1 728210083 QOXVPWGXFLAGNR-CQSZACIVSA-N 416.525 -0.311 50 20 HBGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)c1cccc(CS(N)(=O)=O)c1 734240473 RZXQRTVVKLNGDO-UHFFFAOYSA-N 415.472 -0.056 50 20 HBGD CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)C2CC2)c1 763561382 GCDZFAPRJGRYRQ-KGENOOAVSA-N 407.452 -0.005 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)N1C[C@@H]2CCCN2c2ccccc21 764226130 GDOKQJBJKDIGBK-NEPJUHHUSA-N 409.468 -0.913 50 20 HBGD Cn1ncc2c(O)nc(NNC(=O)CN3CCN(C(=O)OC(C)(C)C)CC3=O)nc21 770974566 WSRXHNLGSCICTN-UHFFFAOYSA-N 420.430 -0.409 50 20 HBGD C[C@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)n1cnc(C#N)n1 798346282 BRHHEQKCVMOXCY-GFCCVEGCSA-N 417.451 -0.044 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CCNS(=O)(=O)c2cccnc2)cc1 801108958 WDZXIOGFQAGUHZ-UHFFFAOYSA-N 405.436 -0.155 50 20 HBGD Cn1c(=O)c2ccc(C(=O)NNC(=O)Nc3ccc4c(c3)OCO4)nc2n(C)c1=O 802106685 PLBNJDYLEIHDQK-UHFFFAOYSA-N 412.362 -0.173 50 20 HBGD N#Cc1cccc(C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3cc[nH]n3)CC2)c1 809989178 ZBMLSNIHSABZTM-UHFFFAOYSA-N 417.451 -0.951 50 20 HBGD CCOCCOc1ccc(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 920395347 NZGADJWAOBGUME-LBPRGKRZSA-N 421.497 -0.219 50 20 HBGD O=C1CN(C(=O)c2ccc(CNC(=O)NNC(=O)Cc3cccnc3)cc2)CCN1 1318258006 QCAWRFVHJQYWMV-UHFFFAOYSA-N 410.434 -0.273 50 20 HBGD C[C@H](OC1CCCCC1)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 1323991248 JVCQEAWTHPYGQN-NSHDSACASA-N 406.443 -0.681 50 20 HBGD CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NNC(=O)CC1CC1 1344016810 MUVXOUASWSVIMK-AWEZNQCLSA-N 417.509 -0.284 50 20 HBGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCNC3=N)[C@H]2C1 1786844972 BKCIDCXBYQOSTE-VOAKCMCISA-N 416.320 -0.411 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCS(C)(=O)=O)[C@H]2C1 1791771398 JPPLWKREVFGLNW-FQUUOJAGSA-N 410.920 -0.345 50 20 HBGD CCc1[nH]nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)c1F 1794514811 QSDCYAIXZFGTLG-DPIQGUFMSA-N 424.477 -0.313 50 20 HBGD CN[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@](C)(Cl)CCl)C2)C(=O)O 1795645382 KODFQPIRRCWMKK-GACTXADBSA-N 410.298 -0.125 50 20 HBGD Cc1ncoc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797749820 WJFZOORXVJIQKQ-JJLQDPRZSA-N 414.422 -0.501 50 20 HBGD COC[C@@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@](C)(Cl)CCl)C2 1797967894 BUYBSWMLLOKODW-RFJMFJJWSA-N 424.325 -0.037 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCOCC1)C2)[C@H](F)Br 1799346214 JZCFZMYYPAXLLB-XCCSTKFXSA-N 408.268 -0.401 50 20 HBGD CNC(=O)CC(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1803480687 CIMBPOUAPLBNKJ-MGPUTAFESA-N 418.498 -0.404 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H]2CNC(=O)C2)n[nH]1 1821963027 CEUUFGJLJGMRLL-OCCSQVGLSA-N 419.486 -0.089 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2CNC(=O)C2)n[nH]1 1821963028 CEUUFGJLJGMRLL-TZMCWYRMSA-N 419.486 -0.089 50 20 HBGD CC1CCN(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)CC1 1831098777 PIRKKXYSFLCQAG-QFBILLFUSA-N 417.934 -0.226 50 20 HBGD O=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1)c1ccco1 1832656562 ZXERWGZDXRMCPC-SJKOYZFVSA-N 400.815 -0.482 50 20 HBGD O=C(CCc1cncnc1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1836049344 QYDVMHPYQFJXAM-CRAIPNDOSA-N 412.874 -0.535 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C(\C)NC(C)=O)CCO2)C1 1839648894 NLBRETBVNRTBOW-IEDYDWBKSA-N 417.890 -0.264 50 20 HBGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840044742 UQZJVQJZSWVYFM-MLGOLLRUSA-N 417.256 -0.296 50 20 HBGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1 1840263851 UNWDGBVHFOWUIK-UGSOOPFHSA-N 413.858 -0.615 50 20 HBGD O=C(CNC(=O)c1cccs1)NNC(=O)N1CCC(C(=O)N2CCOCC2)CC1 725871982 MMCDSJAJMKFNHA-UHFFFAOYSA-N 423.495 -0.211 50 20 HBGD CN(C)CCNC(=O)c1cccc(CNC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)c1 727603762 DUANLCDDAZOUQV-SFHVURJKSA-N 411.528 -0.141 50 20 HBGD CCN(C1CCN(C(=O)NNC(=O)CNC(=O)c2ccco2)CC1)S(C)(=O)=O 731365178 AXFHSSOXRIUTNK-UHFFFAOYSA-N 415.472 -0.504 50 20 HBGD Cn1c(=O)nc(O)c2cc(S(=O)(=O)NNC(=O)COCc3ccccc3)cnc21 737756755 UCVRGTYQZMQZES-UHFFFAOYSA-N 419.419 -0.440 50 20 HBGD O=C(Cc1cn2ccccc2n1)NNC(=O)CN1C(=O)c2ccccc2S1(=O)=O 746640372 BNXUBHIYDJUOGA-UHFFFAOYSA-N 413.415 -0.131 50 20 HBGD Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NNC(=O)Cc2cc[nH]n2)C1 755281985 LVGPTDDPLUKMMA-LBPRGKRZSA-N 410.456 -0.195 50 20 HBGD CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)NNC(=O)COC)c1 764301350 BIXWQVLFFMHQHS-NSHDSACASA-N 400.457 -0.363 50 20 HBGD O=C(CCC(=O)N1CCN(c2ccccn2)CC1)NNC(=O)C(=O)N1CCCC1 765349351 MQCOIEDKHIFIFZ-UHFFFAOYSA-N 402.455 -0.720 50 20 HBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CN1C(=O)c2ccccc2S1(=O)=O 778437079 USHQHPNDLUNYSC-UHFFFAOYSA-N 412.424 -0.497 50 20 HBGD COc1ccc([C@]2(C)NC(=O)N(CC(=O)NNC(=O)N3CCN(C)CC3)C2=O)cc1 788169488 PLEZAKNWBZSCJA-IBGZPJMESA-N 418.454 -0.550 50 20 HBGD COc1ccc(C(=O)NNC(=O)COC(=O)[C@H]2CCc3nnn(C)c3C2)cc1OC 811344778 QRSMWXSHXDGFNC-LBPRGKRZSA-N 417.422 -0.058 50 20 HBGD CCCn1nc(C(=O)NNC(=O)[C@H](CO)NC(=O)C(C)C)c2ccccc2c1=O 813365782 MMKXVAHFSKHKHJ-AWEZNQCLSA-N 403.439 -0.299 50 20 HBGD O=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)NNc1ncncc1F 814283501 HCXBDRPVEUQXGI-UHFFFAOYSA-N 424.462 -0.211 50 20 HBGD Cn1cnn(CCC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)c1=O 814709065 YQKYJMBWSKFPOT-UHFFFAOYSA-N 401.471 -0.668 50 20 HBGD CC(=O)N1CCN(Cc2cccc(NC(=O)C(=O)NNC(=O)[C@H]3CCCO3)c2)CC1 815779745 SYISKICXALBNSP-QGZVFWFLSA-N 417.466 -0.384 50 20 HBGD O=C(NNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)c1cc(Cl)ccc1O 914831370 XNARTMVCIGSDQW-MWLCHTKSSA-N 415.855 -0.158 50 20 HBGD CCn1nc(C(=O)NNC(=O)N[C@H](C)CN2CCN(C)CC2)c2ccccc2c1=O 1338672972 ZISMXVPTPPEGHM-CQSZACIVSA-N 415.498 -0.004 50 20 HBGD CC[C@H](NC)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779030595 CYABFKPBHFDGLF-KXBFYZLASA-N 404.471 -0.873 50 20 HBGD O=C(CN1C(=O)CNC1=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781325242 AVROFBATXHRACD-RISCZKNCSA-N 421.223 -0.941 50 20 HBGD C[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CN3C(=O)CNC3=O)CCO2)C1 1783530172 UJOWEMRVPUJQBC-BMIGLBTASA-N 417.260 -0.849 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)C[C@@](C)(O)CC(=O)O)CCO2)C1 1783879932 ZVYOSEWQFLWEMB-JCURWCKSSA-N 406.863 -0.314 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn4ncccc4n3)C[C@@H]21)[C@H](O)CCl 1784093102 PRMGDTHJWBAOFN-VIRABCJISA-N 407.858 -0.078 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccnnc1 1785954370 GRYLODZTIQQGKB-SZMVWBNQSA-N 410.239 -0.937 50 20 HBGD CCC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1793447157 YTUPDMMHIPYVGV-FSDCSDTHSA-N 408.691 -0.023 50 20 HBGD C[C@H](Cn1cncn1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796188898 YXVPDDSLCIXFKA-NKGKWGDASA-N 411.271 -0.454 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)no1)C2 1798439757 CFYIOYAQGLSHKH-JGPRNRPPSA-N 400.395 -0.056 50 20 HBGD Cc1ccn(C)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1798739599 LMRIZFXFBRFUQJ-ALXJQNPVSA-N 411.267 -0.470 50 20 HBGD CC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCNC3=O)C2 1799265676 LPRSBZGKOVKERE-NWJSVONSSA-N 409.874 -0.153 50 20 HBGD CN(CC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](O)CCl)[nH]n1)C(=O)C(=O)O 1821712784 GRXQMSNDJKREOU-MNOVXSKESA-N 415.834 -0.456 50 20 HBGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](COC)NC(C)=O)CCO2 1837733859 HYGYFFBKGDHFSB-HDMKZQKVSA-N 419.906 -0.389 50 20 HBGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)COCCO)CCO2)C1 1839191744 DTXXRNJOAIRMFH-CZUORRHYSA-N 423.304 -0.517 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 1840153802 AWOQCQODTYWLEJ-YJBOKZPZSA-N 413.858 -0.356 50 20 HBGD CCCNC(=O)CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(B(O)O)c1 1847740470 RMNIMOZMTGBDIG-IRXDYDNUSA-N 401.272 -0.512 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(Br)s1 728510483 ZXYMZPQAVGXTTP-RXMQYKEDSA-N 406.305 -0.242 50 20 HBGD COc1ccc(C(=O)NNC(=O)CN2CCN([C@H]3CCC[C@@H]3O)CC2)cc1OC 734486472 NLYUCPAOFRNICR-HOTGVXAUSA-N 406.483 -0.004 50 20 HBGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)N[C@H]1CCN(CCN2CCOCC2)C1 734684923 BPTLGFGICOKINK-YJBOKZPZSA-N 419.482 -0.437 50 20 HBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1 740852686 IITARZTYJRIOOI-UHFFFAOYSA-N 404.427 -0.994 50 20 HBGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@@H](NC(=O)C(C)(C)C)[C@@H](C)O)n1 745702827 LGSXZHIUQOCGBA-YGRLFVJLSA-N 414.484 -0.404 50 20 HBGD CCCS(=O)(=O)Nc1cccc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 758048275 RLTAVQICVAOXOS-SNVBAGLBSA-N 406.486 -0.463 50 20 HBGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)nc1 760205180 XHJAUSUYMJHSHM-AAEUAGOBSA-N 414.488 -0.229 50 20 HBGD N#Cc1cccc(C(=O)NNC(=O)CN(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c1 760887638 GRUVDUZSGUCGQV-IRXDYDNUSA-N 420.491 -0.013 50 20 HBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 764204012 HCLVQEYEUHWIEO-UHFFFAOYSA-N 411.484 -0.491 50 20 HBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1cnn2ncccc12 765426029 SNUOTKIYHZGQFX-UHFFFAOYSA-N 407.434 -0.052 50 20 HBGD Cn1cc(C(=O)NNC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)cn1 776061163 FNAZDQQFHYFZIO-UHFFFAOYSA-N 409.428 -0.698 50 20 HBGD CCn1nc(C(=O)NNC(=O)c2nc(O)nc(O)c2OC)c2ccccc2c1=O 788622050 VODJWKLPCFDEQD-UHFFFAOYSA-N 400.351 -0.299 50 20 HBGD Cc1[nH]c2ccnn2c(=O)c1CC(=O)NNC(=O)CNC(=O)OCc1ccccc1 794064914 RGMAUAFRHNEYKP-UHFFFAOYSA-N 412.406 -0.053 50 20 HBGD Cn1cc(S(N)(=O)=O)cc1C(=O)NNC(=O)CNC(=O)OCc1ccccc1 795662216 CODWWKRMMUFYKK-UHFFFAOYSA-N 409.424 -0.640 50 20 HBGD CN1CCN(C(=O)NNC(=O)CCCNS(=O)(=O)c2ccc(F)cc2)CC1 807382621 HWRYQBOPOWVKIQ-UHFFFAOYSA-N 401.464 -0.128 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(S(N)(=O)=O)o2)c1 917909196 PZTYKLAIHWKQFC-UHFFFAOYSA-N 416.437 -0.748 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CC3(F)F)C2)C1 1778147819 GWMHMQCHXATVFU-SUMWQHHRSA-N 409.393 -0.216 50 20 HBGD Cn1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1 1779028573 MUSPGNJXOGBKIC-HXUWFJFHSA-N 412.450 -0.219 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)C(=O)c1ccco1)CCO2 1783933199 DYOXKAYEOQUFLI-IBGZPJMESA-N 406.439 -0.335 50 20 HBGD CC[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=N)N)[C@H]2C1 1786807965 APALCNTWXNRFCE-YFKTTZPYSA-N 404.309 -0.377 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)[C@H]1ON=C(c2ccccc2)O1 1797640516 RYNBSFHQCBBOPA-WYGUVQOISA-N 423.853 -0.090 50 20 HBGD O=C([C@@H](O)CCl)N1CCO[C@]2(COCCN(C(=O)C(F)(F)C(F)F)C2)C1 1830726028 NIQCRXYMMCUVLI-TVQRCGJNSA-N 406.760 -0.057 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cncnc3)CCO2)C1 1833123596 HWKQODOZVCTLEN-MAUKXSAKSA-N 412.874 -0.271 50 20 HBGD CC[C@@H](O)C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1833260904 VWVJAPRTXQUKAD-QGZVFWFLSA-N 411.547 -0.298 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCOCC3)CCO2)C1 1835398899 SIKHLJNYORGKBS-QAPCUYQASA-N 403.907 -0.208 50 20 HBGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)n[nH]1 1838664491 LGEKOEFNSIWGGC-LJQANCHMSA-N 422.486 -0.839 50 20 HBGD CC(=O)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1839886250 PRIZDWQCFOMZDJ-WBMJQRKESA-N 420.304 -0.248 50 20 HBGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CC(O)C3)C2)C1 1840030214 DUAOHIOORMLYJF-NEQJSVFRSA-N 405.289 -0.003 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)nn3)C2)C1 1840150517 NESTZOBABCOUKW-PXAZEXFGSA-N 414.846 -0.494 50 20 HBGD O=C(c1cn2ncccc2n1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014080 UOFKFGNLJKLMCE-UHFFFAOYSA-N 405.223 -0.460 50 20 HBGD O=C(Cn1cc(Br)c(=O)[nH]c1=O)NNC(=O)c1cccc([N+](=O)[O-])c1 21001708 JHGDIIQZVDBILU-UHFFFAOYSA-N 412.156 -0.332 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=S)NCCc1ccc2c(c1)OCCO2 728450430 XXMSNFPLDCWPQT-JTQLQIEISA-N 402.498 -0.567 50 20 HBGD Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 729276220 ZQRODTWEBNGIIF-SNVBAGLBSA-N 407.456 -0.764 50 20 HBGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F 740812711 XGHOOQUEMNKHJO-UHFFFAOYSA-N 424.476 -0.189 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)c1nc2ncc(Br)cn2n1 751203348 MOTKFFYTPQSRKE-UHFFFAOYSA-N 408.172 -0.329 50 20 HBGD COC(=O)N(C)Cc1ccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1 756609537 DIFJMVVYWHIKPT-SNVBAGLBSA-N 401.445 -0.025 50 20 HBGD COC(=O)[C@H]1CCN(CC(=O)NNC(=O)c2cccc(C#N)c2)[C@H](C(=O)OC)C1 780351823 SVIXRIHHBOUBNW-GJZGRUSLSA-N 402.407 -0.254 50 20 HBGD COC(=O)c1scc(C)c1S(=O)(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 785484869 AAVWJRUNSBRBSR-QMMMGPOBSA-N 411.483 -0.477 50 20 HBGD Cn1nc2c(c1NC(=O)C(=O)NNC(=O)CNC(=O)OCc1ccccc1)CCC2 797369020 MIZKJRAQSJTIPA-UHFFFAOYSA-N 414.422 -0.079 50 20 HBGD COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NNC(=O)[C@H]3CCCO3)c2)nn1 815779287 YSIAFTCIKHFAFE-CYBMUJFWSA-N 402.367 -0.681 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3ccns3)CCO2)C1 1779028385 KLQCLIKROYWKJM-GOSISDBHSA-N 416.463 -0.101 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3ccncc3=O)C2)C1 1782664982 VRNLJKLFOIDIFU-LRDDRELGSA-N 413.272 -0.143 50 20 HBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCO3)C[C@@H]21 1788609730 DLRITUMAQOIHQV-STECZYCISA-N 417.466 -0.543 50 20 HBGD COC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CBr 1792872032 JUPJOZKEIQVVLI-HNCHTBHHSA-N 406.277 -0.037 50 20 HBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CS(C)(=O)=O 1793371260 FPEOFPDPTPXDIH-PEBLQZBPSA-N 410.920 -0.490 50 20 HBGD CN1N=C(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)CCC1=O 1796188036 WUBOLOAPYYYFJD-MUJYYYPQSA-N 412.255 -0.774 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(F)c[nH]1 1800815240 SXSHWSPVSVRJTO-CULMDFNYSA-N 416.413 -0.331 50 20 HBGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)n1cccn1 1801383563 OZAGQWVWHKBCDH-NYCLONFESA-N 412.255 -0.973 50 20 HBGD O=C1NC(=O)[C@H](CC(=O)N2CC[C@H](CNC(=O)[C@@H](O)CCl)[C@@H]2c2cccnc2)N1 1803135426 CLVQTRKCUFQKPK-OSFYFWSMSA-N 423.857 -0.715 50 20 HBGD COCCOCC(=O)N1CCCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1 1809415830 PNQVIYNSCRAKFU-UHFFFAOYSA-N 418.299 -0.126 50 20 HBGD C[C@H](NC=O)C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813074659 ZFWTXFYAOYWQKU-QOKNQOGYSA-N 418.498 -0.405 50 20 HBGD CC(C)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1830359050 KEHDXRUQDRPXMX-UGSOOPFHSA-N 401.891 -0.014 50 20 HBGD O=C(c1cc2cn[nH]c2cn1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731611 MVZNVSQCVKHSKA-QAPCUYQASA-N 423.857 -0.372 50 20 HBGD CN1CCC[C@H](C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)C1 1830733409 LIPJIAZMNWOATK-RLFYNMQTSA-N 403.907 -0.616 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CC(F)(F)F)CCO2 1835338799 VQOHFGMAHAABFV-INIZCTEOSA-N 424.420 -0.232 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1839155474 UXJRQYCNWDUAHY-ZLIFDBKOSA-N 422.309 -0.185 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)OC)C2)C1 1840151637 JKTPMAJKBCTSJW-CXAGYDPISA-N 406.863 -0.350 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)[C@@H]1CCC(=O)N1C)C2 1843416725 SPEXMPIEDUCNGR-NSMHLIOHSA-N 414.466 -0.055 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(OCC(N)=O)cc2)c1 16594208 BMOYBJDNSVSASV-UHFFFAOYSA-N 420.447 -0.124 50 20 HBGD O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)NNC(=O)c1cnn[nH]1 729456106 RBQAMMDASQJDQY-UHFFFAOYSA-N 410.412 -0.904 50 20 HBGD COc1ccc(C(=O)NNC(=O)CN2CCN([C@@H]3CCC[C@H]3O)CC2)cc1OC 734486473 NLYUCPAOFRNICR-HZPDHXFCSA-N 406.483 -0.004 50 20 HBGD C[C@H](C(=O)OCC(=O)NNC(=O)c1ccccc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 745442893 ZCRKVMSIDNIDMD-INMQWQFJSA-N 415.402 -0.458 50 20 HBGD CC(C)OCCS(=O)(=O)NCC(=O)NNC(=O)c1nnc(O)c2ccccc12 747905523 DDOKXIXZGFYGJI-UHFFFAOYSA-N 411.440 -0.559 50 20 HBGD Cc1cc(=O)n(C)cc1NC(=O)C(=O)NNC(=O)COc1ccccc1[N+](=O)[O-] 763803208 JOHCAKLCAQMQMF-UHFFFAOYSA-N 403.351 -0.233 50 20 HBGD CCCN1Cc2cccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c2C1 764228236 WGNAKYUDPRNZIM-LLVKDONJSA-N 411.484 -0.564 50 20 HBGD COc1cccc(C)c1NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 772519872 HIIFWWIQDXRCRE-UHFFFAOYSA-N 415.410 -0.396 50 20 HBGD CNS(=O)(=O)N1CCC(C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)CC1 794787987 KIHKORIYIZEKHK-LLVKDONJSA-N 402.448 -0.083 50 20 HBGD O=C(N=c1cc[nH]cc1)NNC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 802024455 FMIJGAKKXFETNL-RRFJBIMHSA-N 423.495 -0.234 50 20 HBGD C#CC[C@]1(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)CCCN1C(=O)OC(C)(C)C 809666283 SNEYTUAXTTVBFC-YVEFUNNKSA-N 416.500 -0.136 50 20 HBGD Cn1c(=O)nc(O)c2cc(C(=O)NNC(=O)c3cccc(S(C)(=O)=O)c3)cnc21 915197641 TXKXXCKYVJPDIT-UHFFFAOYSA-N 417.403 -0.488 50 20 HBGD COc1ccc(C(=O)NNC(=O)COC(=O)C[C@H]2CCS(=O)(=O)C2)cc1OC 1317731240 LNNYYOUCECVQKS-LLVKDONJSA-N 414.436 -0.167 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2C[C@H](O)CN2)C1 1780602925 HGFPUPKNFUGHJZ-CGSPGFDNSA-N 403.907 -0.523 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)C3=NN(C)C(=O)CC3)CCO2)C1 1783870347 AZDOECSEQFWPTG-SJKOYZFVSA-N 400.863 -0.322 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(O)nc3O)[C@H]2C1 1787432722 YZOSWLUMRPQURL-BQUFFADESA-N 414.846 -0.265 50 20 HBGD C[C@@H]1CC[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)O1 1788160323 HRKRVJYHFJMRLG-VXKGYBDPSA-N 416.283 -0.473 50 20 HBGD CCC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)COC1 1790741251 WFEBCDRVWDYBMB-SZMVWBNQSA-N 416.283 -0.614 50 20 HBGD C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1793355911 TWAICCSCDHFVGR-NYCLONFESA-N 402.256 -0.839 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1F)C2)c1cccc(B(O)O)c1 1795738859 JFCHOYGLHZLRON-ZSBFGKGUSA-N 413.214 -0.583 50 20 HBGD NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807368053 WYYKNBDMOZPSOE-OXQOHEQNSA-N 424.266 -0.654 50 20 HBGD O=C1C[C@@H](C(=O)N2CCC3(CCCN(C(=O)c4cccc(B(O)O)c4)C3)CC2)CN1 1809980229 OMJMFQSAKDTKHR-MRXNPFEDSA-N 413.283 -0.653 50 20 HBGD O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1812879033 OGUVGKXJHVZDGK-OXJNMPFZSA-N 421.218 -0.831 50 20 HBGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](O)CCl)CC2)c1ccc(B(O)O)cc1 1815335498 ATYCMAOCPQLKEO-YPMHNXCESA-N 423.687 -0.352 50 20 HBGD CCS(=O)(=O)CC(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1833451379 TVFARXAVEIGBLK-OAHLLOKOSA-N 423.963 -0.408 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CCC1)CCO2 1834635869 NETQYEJIKCJTDP-FQEVSTJZSA-N 417.466 -0.445 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1839151622 YBWWTCLFOXWLHJ-VUCTXSBTSA-N 422.309 -0.042 50 20 HBGD O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)NNC(=O)c1n[nH]c(=O)c2ccccc12 14044533 JVXBKIMGWZLQNR-UHFFFAOYSA-N 406.358 -0.613 50 20 HBGD Cn1c(=O)c2cc(C(=O)NNC(=O)c3ccc4c(c3)OCCO4)cnc2n(C)c1=O 22991441 OGUHBSPXWHSXNZ-UHFFFAOYSA-N 411.374 -0.522 50 20 HBGD C#CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)CNC(=O)c2ccco2)cc1 725741320 OGPVMBMALPEFGD-UHFFFAOYSA-N 404.404 -0.618 50 20 HBGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 744562650 PJQLRBRDRHKJQG-DSIZOQBWSA-N 422.397 -0.330 50 20 HBGD CCn1c(=O)nc(O)c2c(C(=O)NNC(=O)[C@H]3COCCO3)cc(C3CC3)nc21 744647981 DMXVFJRFDIEEOJ-GFCCVEGCSA-N 403.395 -0.429 50 20 HBGD COc1ccc(OC(F)F)c(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 764227704 QSBHHVJPBUWGJG-ZETCQYMHSA-N 424.382 -0.680 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(F)cc1OC(F)F 764233432 WPRUTFJKGFRHKB-LURJTMIESA-N 412.346 -0.549 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2ccc(Br)cn2)n(C)c1=O 764818321 UHCCJXAJWOIWKN-UHFFFAOYSA-N 420.227 -0.259 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@H]2CCCc3ccccc32)n(C)c1=O 766641465 YLFCXGXVUNBCQJ-AWEZNQCLSA-N 410.434 -0.299 50 20 HBGD O=C(COC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)c1cccs1 786355937 MXWLBCVLFQSIRX-RPVFDAQASA-N 421.431 -0.395 50 20 HBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(N2CCN(C(=O)OC)CC2)nc1 815603492 HLIJHVVVGMDICJ-UHFFFAOYSA-N 407.431 -0.399 50 20 HBGD CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)o1 816886320 UREXWVNQELLYQQ-SNVBAGLBSA-N 410.456 -0.029 50 20 HBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)c1cn[nH]c1 916092695 ALXUVOOVSGVURV-UHFFFAOYSA-N 407.452 -0.176 50 20 HBGD CCS(=O)(=O)N(C)CCCNC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 916580121 DWGWTGHDHIMHQH-UHFFFAOYSA-N 420.513 -0.294 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cnccn3)CC2)cc1 917996455 VCEIULIGXWNMBL-UHFFFAOYSA-N 418.479 -0.447 50 20 HBGD C[C@H](C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1 919886381 RRCKDNRJXBBQDB-KOLCDFICSA-N 407.445 -0.495 50 20 HBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)[C@H]1C[C@@H]1F 1781635056 LFVDERYERLVRAG-MIALQEHNSA-N 404.247 -0.148 50 20 HBGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(C)(=O)=O)C2 1792868179 SYGYXAYDKDAOKS-HNCHTBHHSA-N 411.318 -0.348 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1coc(Cl)n1)C2)c1ccc(B(O)O)cc1 1795732582 XTDHRXJUTOEQKL-JJLQDPRZSA-N 419.630 -0.475 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@@H]1CCOC1)C2)c1cccc(B(O)O)c1 1795741004 WCUSTKLIAALIIV-DFYYWFRZSA-N 416.283 -0.614 50 20 HBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1ccco1)C2 1800975926 XXWONYNOAMTLKL-ZWUHOBOKSA-N 413.858 -0.147 50 20 HBGD O=C(CCNC(=O)c1ccccc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1801948114 FQYUNCORLSQIMR-DFGXFYAUSA-N 423.897 -0.004 50 20 HBGD CSCC[C@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1802360575 LLMPNRLAOJNNLA-YVSFHVDLSA-N 406.313 -0.268 50 20 HBGD CC(=O)NCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1 1822416399 COPDJCZTERPWBW-AWEZNQCLSA-N 407.475 -0.089 50 20 HBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1C[C@H](O)CN1)CC2 1826088775 OKPXTXBOCHKNOV-GVXVVHGQSA-N 424.527 -0.849 50 20 HBGD Cn1c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cccc1=O 1830724969 KNRXQAQDYVYNCF-KDOFPFPSSA-N 413.858 -0.945 50 20 HBGD CCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](Cl)COC)C2)C1 1831192320 XNVGKQQLBFTAGK-LBTNJELSSA-N 419.906 -0.389 50 20 HBGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)n[nH]1 1838664490 LGEKOEFNSIWGGC-IBGZPJMESA-N 422.486 -0.839 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3cnnn3)C2)C1 1839149090 SYLXNJFUAQNTCZ-DVOMOZLQSA-N 400.867 -0.292 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN(C)C(C)=O)C2)C1 1840151311 YGDXCELIPHWHIV-CRAIPNDOSA-N 419.906 -0.435 50 20 HBGD CSCC[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840195420 ZFGIVPKJUJWKGZ-WOSRLPQWSA-N 410.920 -0.844 50 20 HBGD COC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1840321865 QJMBOIWPERTEQC-NHYWBVRUSA-N 422.276 -0.418 50 20 HBGD O=C(CCc1ccc(O)nn1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014966 VHKVSQXIUHLAAY-UHFFFAOYSA-N 410.239 -0.688 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)Cn2ccccc2=O)C1 1843035810 GZMOKJPEIPBZNL-UHFFFAOYSA-N 410.434 -0.636 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2cc3ncccn3n2)C1 1844035607 VQZCPKXYPUGVDM-UHFFFAOYSA-N 405.223 -0.460 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2cnc3snnc3c2)C1 1844677106 XVQHBNHPYQOETA-UHFFFAOYSA-N 423.263 -0.103 50 20 HBGD O=C([C@H](O)CCl)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCc2nc(O)nc(O)c2C1 1847557256 YOYZMDXEAGBIAD-NZPIUUIZSA-N 410.858 -0.206 50 20 HBGD O=C(CNS(=O)(=O)c1cccs1)NNC(=O)C1CCN(c2ncccn2)CC1 728889770 PUXOZIVWEOUIMI-UHFFFAOYSA-N 424.508 -0.120 50 20 HBGD C[C@H]1CN(CCC(=O)NNC(=O)CCN2C(=O)NC3(CCCC3)C2=O)C[C@H](C)O1 732260683 GOSIKQYUPCJVGA-KBPBESRZSA-N 409.487 -0.112 50 20 HBGD CCn1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cn1 733908561 NGBPJPMYLJNFNQ-UHFFFAOYSA-N 407.452 -0.001 50 20 HBGD COc1ccc(/C=C(/C#N)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)c(OCC(=O)O)c1 734484395 WSEDCXDUAGBHJK-WDZFZDKYSA-N 414.374 -0.072 50 20 HBGD NS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 748557114 CLPNWRDEDIQOMY-CQSZACIVSA-N 420.403 -0.740 50 20 HBGD CCCS(=O)(=O)Nc1ccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1 756570207 BOXMWZVHLPQRJJ-SNVBAGLBSA-N 421.501 -0.071 50 20 HBGD C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)Cc1cccnc1 763041632 GFGQOGPDPUMAEO-LLVKDONJSA-N 405.436 -0.763 50 20 HBGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(N2CCCC2=O)c(OC)c1 764398446 RZZOIILALRVCQR-LBPRGKRZSA-N 422.438 -0.041 50 20 HBGD COC(=O)c1cc(F)cc(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 782252028 OFSSMEJJHFGJCT-SNVBAGLBSA-N 409.417 -0.708 50 20 HBGD COCCn1cc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c(C)n1 782412337 QNXODLYORSYYIV-INIZCTEOSA-N 418.406 -0.018 50 20 HBGD C[C@@]1(CCCC(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)NC(=O)NC1=O 801433359 ISIVFNYSNFMXTR-SFHVURJKSA-N 401.379 -0.369 50 20 HBGD COc1cc(N2C[C@H](C(=O)NNC(=O)C(=O)NC(C)C)CC2=O)cc(OC)c1OC 914442347 CFVFEGPYDILEIM-LLVKDONJSA-N 422.438 -0.263 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3csnn3)CCO2)C1 1779029696 XDJNURCCSIGQSK-QGZVFWFLSA-N 417.451 -0.706 50 20 HBGD O=C(c1nc2ccc(F)cn2n1)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1782566329 XRWHIOXXMOZOMI-SJCJKPOMSA-N 411.821 -0.088 50 20 HBGD CC[C@@H](NC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](Cl)COC)[C@H]2C1 1791253926 FQIFCOZWVJARFQ-YHQUGGNUSA-N 404.895 -0.333 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[C@@H](O)c1ccccc1 1795380811 RDYAZTGBMPMOAX-HNJRGHQBSA-N 424.262 -0.697 50 20 HBGD CCc1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)co1 1795734708 WPCXWFRNGWXHCX-ZSBFGKGUSA-N 413.239 -0.566 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC[C@H](O)CC1)C2)c1cccc(B(O)O)c1 1795740585 CDJJKTHZGRWICF-UTIGFIHBSA-N 416.283 -0.879 50 20 HBGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CNC(=O)C1)C2 1800644000 BZURGUGHOHCXDX-VXUPGSCNSA-N 402.289 -0.114 50 20 HBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn3c(O)nnc13)C2 1800974809 BTYOULIFUQPDMI-XCCSTKFXSA-N 423.857 -0.108 50 20 HBGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn(C)nc1OC)C2 1800976020 ZQRPCDKLGLBNFI-ZMJPVWNMSA-N 400.863 -0.114 50 20 HBGD CC(=O)N1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(Cl)Cl)CC1 1801014957 VXYVMFYJGXZELI-AGGWBTHJSA-N 421.325 -0.456 50 20 HBGD C[Si](C)(C)OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)C=CC1=O 1801120328 WCUOVELNRNDBNA-IVWMJMPLSA-N 409.515 -0.648 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCC2(CCCN(C(=O)c3cc(O)n[nH]3)C2)CC1 1809904858 SCVOJSRGHVOREU-UHFFFAOYSA-N 412.255 -0.046 50 20 HBGD CNC(=O)CC(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809977988 QDIWYAWBZLNECF-UHFFFAOYSA-N 401.272 -0.653 50 20 HBGD O=C(CN1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1835372317 KPUXMJCIZLUROC-YJBOKZPZSA-N 403.907 -0.472 50 20 HBGD COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)ccn1 1837973916 LMZXJUOBNAOUQV-KDOFPFPSSA-N 413.858 -0.240 50 20 HBGD C[C@](O)(C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2)C(F)(F)F 1841801478 XOVRRMVDFWEPOX-HNNXBMFYSA-N 400.162 -0.503 50 20 HBGD COc1nccnc1C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844263798 WXJKZHDAGKGTSC-UHFFFAOYSA-N 411.422 -0.386 50 20 HBGD C#CCNS(=O)(=O)c1cccc(C(=O)NNC(=O)CNC(=O)c2cccs2)c1 725741117 LYKSWQUBDDYUQQ-UHFFFAOYSA-N 420.472 -0.149 50 20 HBGD Cc1nc(S(=O)(=O)NCCC(=O)NNc2nc(-c3ccncc3)no2)cn1C 728070776 HKNLEENIBKBHFL-UHFFFAOYSA-N 406.428 -0.015 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)[C@@H]3CCS(=O)(=O)C3)cc2)CC1 728213755 PJXAWBWEKIVDBQ-CYBMUJFWSA-N 416.525 -0.500 50 20 HBGD CCOC(=O)/C(C#N)=C\NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 730940347 FHRIMDCVVUASAF-OWBHPGMISA-N 408.436 -0.088 50 20 HBGD C[C@@H](C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 744349998 PDFFVQXYYGZRMP-YPCYXAEESA-N 402.363 -0.093 50 20 HBGD CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2ccncc2)s1 746090813 UDMVCTRVWSVNFV-UHFFFAOYSA-N 411.465 -0.481 50 20 HBGD COCCN1C(=O)c2ccc(C(=O)NNC(=O)Cc3cc[nH]n3)cc2S1(=O)=O 755276801 LRXJXANGPQQRHP-UHFFFAOYSA-N 407.408 -0.796 50 20 HBGD CCn1nc(C(=O)NNC(=O)Nc2cnn(CC(=O)NC)c2)c2ccccc2c1=O 757866220 JLIQLBJMCFMSCG-UHFFFAOYSA-N 412.410 -0.175 50 20 HBGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 763572761 OWQXIYJQNDQMTF-XJKSGUPXSA-N 415.406 -0.012 50 20 HBGD CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNC(=O)c1ccc[nH]1)CC2 763980380 UYYMIYWXJMIEME-UHFFFAOYSA-N 405.436 -0.337 50 20 HBGD COCCOc1ccccc1C=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 764820232 YLSJDXNAIIFWFM-UHFFFAOYSA-N 414.422 -0.391 50 20 HBGD Cc1ccc(CN2CCN(CC(=O)NNS(=O)(=O)c3cn(C)cn3)CC2)cc1 765127469 QIVDLRFXPIGKAB-UHFFFAOYSA-N 406.512 -0.144 50 20 HBGD CCN1C[C@@H](C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)CC1=O 766642856 NOSXZTUYECDFBR-INIZCTEOSA-N 401.467 -0.540 50 20 HBGD C#C[C@@H](NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)[C@@H]1CCCO1 776227705 IZVAHVKCSOHZHG-CVEARBPZSA-N 422.511 -0.175 50 20 HBGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NCCNC(=O)c2cc[nH]n2)nc1 780875957 COSVTYRXTXQRFJ-UHFFFAOYSA-N 424.487 -0.109 50 20 HBGD Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NNC(=O)N3CCN(C)CC3)C2=O)cc1 788166344 LVVCDAJMQXHPEZ-IBGZPJMESA-N 402.455 -0.250 50 20 HBGD C=CCNC(=S)NNC(=O)CSc1n[nH]c2nc(=NCC)nc(NCC)n12 798304859 MUNQJUFZPGLAJJ-UHFFFAOYSA-N 410.533 -0.422 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cc1 801110451 BHMPNNDEYMYTOV-URWOTSEESA-N 414.418 -0.368 50 20 HBGD CN(C)c1c(C=NNC(=O)c2csc(N3CCOCC3)n2)c(=O)n(C)c(=O)n1C 807952378 HDPIULPZULCDLB-UHFFFAOYSA-N 421.483 -0.793 50 20 HBGD O=C(CNS(=O)(=O)c1ccc2ccccc2c1)NNC(=O)C(=O)N1CCCC1 810275167 KAXARUYCXAGOLB-UHFFFAOYSA-N 404.448 -0.112 50 20 HBGD C[C@H]1CN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)C[C@@H](C)S1(=O)=O 811850743 DITFKLOLWHQFGL-PHIMTYICSA-N 417.513 -0.159 50 20 HBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)[C@H]1CCc2nncn2C1 815827359 WJESIVBMEJPODN-INIZCTEOSA-N 411.466 -0.554 50 20 HBGD O=C(CCN1CCOCC1)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 912851706 BAPRNWPBCSVGES-UHFFFAOYSA-N 410.496 -0.046 50 20 HBGD CS(=O)(=O)N1CCC(NC(=O)NNC(=O)CNC(=O)c2cccs2)CC1 1318872554 NXNOFGCYIITIII-UHFFFAOYSA-N 403.486 -0.768 50 20 HBGD O=C(CN1C(=O)C=CC1=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2 1782311698 GVZFFBGXFUMRLN-SNUQEOBHSA-N 413.858 -0.975 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4ncccc34)C[C@@H]21)[C@H](O)CCl 1784091302 ZHSBOEGWIJKIFE-YUDUHTQSSA-N 407.858 -0.078 50 20 HBGD CC(=O)C[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791293194 NBIXMEPSZXMZAA-HJWJTTGWSA-N 410.515 -0.046 50 20 HBGD O=C(Cc1cccnc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1795865917 QNDYGJFWOQKSKY-XEMDLRDOSA-N 409.251 -0.793 50 20 HBGD COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)ccn1 1798125550 KQIXDWDSERPSCP-CCWDJLKJSA-N 419.482 -0.334 50 20 HBGD C[C@H](Cn1cncn1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1798575756 MAHSYTNDYYFYIJ-NKGKWGDASA-N 411.271 -0.454 50 20 HBGD C=CC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Br 1799350110 QNTFRESFJXYEPQ-UWHIDBLNSA-N 406.252 -0.043 50 20 HBGD CCNC(=S)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2 1800182405 KYRIVWBAQAHESE-GNXNZQSNSA-N 421.361 -0.155 50 20 HBGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)C1 1800522005 QYLHWOYGTGCJFZ-GCQYFTOKSA-N 402.289 -0.257 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cnn(C)c1)C2 1801013446 YJMGYXNSUBCFIH-CWPLJXCYSA-N 420.514 -0.685 50 20 HBGD CC[C@H](O)C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807365294 MOWFKWJVPQXQDO-WDSOQIARSA-N 411.267 -0.148 50 20 HBGD CNC(=O)CC(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813069518 YSQFZATWOUCEQG-YWZLYKJASA-N 418.498 -0.404 50 20 HBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1)[C@@H]1C[C@@H]1F 1833631578 KDDAONGSBPZAGP-MOPGFXCFSA-N 417.290 -0.090 50 20 HBGD Cc1nn[nH]c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199621 RBVJAOWRCIKKLT-SMDDNHRTSA-N 420.239 -0.126 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CSC(=N)N)C2)C1 1840032061 MSJRTATVSIBBFD-HZMBPMFUSA-N 423.333 -0.147 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)[nH]3)C2)C1 1840033794 QEQRVDHGEPMDFA-ZUZCIYMTSA-N 417.260 -0.031 50 20 HBGD CN(C)c1ncc(C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)o1 1844263809 XLNYDMLFFYVSGD-UHFFFAOYSA-N 413.438 -0.130 50 20 HBGD CN1CCN(C2(C(=O)N3CCCC34CN(C(=O)CCC(=O)NN(C)C)C4)CC2)CC1 1845103540 WKPLXLHMFZMFNS-UHFFFAOYSA-N 420.558 -0.657 50 20 HBGD COc1cc(/C=C(/C#N)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)ccc1OCC(=O)O 732578472 OTRXNPLPLRPAMV-WDZFZDKYSA-N 414.374 -0.072 50 20 HBGD O=C1CN(S(=O)(=O)c2ccc(C(=O)NNc3ncnc4[nH]cnc34)cc2)CCN1 740746090 IRLWIEBURJVYQX-UHFFFAOYSA-N 416.423 -0.770 50 20 HBGD Cn1c(=O)c2nc(Br)n(CC(=O)NNC(=O)C(C)(C)C)c2n(C)c1=O 742449004 FCRXZZZRXNJSTE-UHFFFAOYSA-N 415.248 -0.610 50 20 HBGD COc1ccccc1OCC(=O)NNC(=O)[C@@H](C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 746094616 NLOPTMKLNZQILR-ZPWNPBNNSA-N 417.418 -0.228 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@H]2CCCN(C)C2=O)cc1 748663850 RPEOTSSUNQNKJG-AWEZNQCLSA-N 411.484 -0.433 50 20 HBGD O=C(NNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 749117577 JZMHYOKZWZDETD-GHMZBOCLSA-N 421.522 -0.517 50 20 HBGD COc1ccc(OCC(=O)NNC(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)cc1 753660499 LGKKBTAFPSKNLR-LBPRGKRZSA-N 400.457 -0.314 50 20 HBGD CCN(CC)Cc1ccc(C(=O)NNC(=O)CNS(=O)(=O)c2cn(C)cn2)o1 756034858 QVXDQTJRSXJNKR-UHFFFAOYSA-N 412.472 -0.406 50 20 HBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)N1C[C@H]2CCCN2c2ccccc21 764001822 FOPKPUGJUFBQHE-QWHCGFSZSA-N 406.464 -0.416 50 20 HBGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)[C@@H]3CN4CCCN3CC4)CC2)cc1 764751682 FEKIEWXYPTUVDJ-FQEVSTJZSA-N 414.554 -0.350 50 20 HBGD Cn1c(=O)c2cc(C(=O)NNC(=O)CSc3ccccc3O)cnc2n(C)c1=O 765247742 IMBZOHWNIGAXKU-UHFFFAOYSA-N 415.431 -0.109 50 20 HBGD C[C@H](Oc1ccccc1)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765731916 SXNADFKGOHKEOO-NSHDSACASA-N 400.395 -0.951 50 20 HBGD CCCOCC(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 766637142 YKHUPBFXFUXVDJ-UHFFFAOYSA-N 412.512 -0.125 50 20 HBGD CN1CCO[C@@H](C(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)C1 766664804 UUNFEJZOUJBGHX-QGZVFWFLSA-N 409.918 -0.064 50 20 HBGD Cc1cccc(C(=O)NNC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)n1 794089487 HIHWMAHESJXNHN-UHFFFAOYSA-N 407.452 -0.176 50 20 HBGD C[C@H](C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)n1cnc(C#N)n1 798829843 LETBLLCYKHKKCV-GFCCVEGCSA-N 417.451 -0.044 50 20 HBGD CN(C)S(=O)(=O)c1cc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)ccc1F 806543935 NSNNDYCUCKNJOK-VIFPVBQESA-N 422.460 -0.337 50 20 HBGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C 816817776 KBIJDECQWAALRO-VIFPVBQESA-N 412.399 -0.391 50 20 HBGD C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)CNS(=O)(=O)N(C)C 816828611 KJXMKSMYRUQJGT-SECBINFHSA-N 423.289 -0.240 50 20 HBGD COc1ccccc1NCC(=O)NNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 825630515 JXEZWLPAHZEPFH-UHFFFAOYSA-N 405.436 -0.248 50 20 HBGD NS(=O)(=O)N1CCC(C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)CC1 914899798 QVCMINGCQSTERX-UHFFFAOYSA-N 418.859 -0.440 50 20 HBGD C[C@H](CN)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779373423 PYUDZSVQRWUWOR-OWDMVUQNSA-N 418.498 -0.593 50 20 HBGD CC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)C[C@@H]21 1789860356 QIANLAYBFROPIB-ZPFDUUQYSA-N 423.861 -0.577 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)C(=O)c1ccccc1 1795054765 FYBCTCHWIXVIJP-IZZQQSIFSA-N 422.246 -0.548 50 20 HBGD CC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)n2[nH]nnc2n1 1796110216 TURXBZPFCWTSCW-WJZNIJOASA-N 409.834 -0.967 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[C@@H]1CCCSC1 1802051796 MKCZVFUIVUBXOH-XLMAVXFVSA-N 418.324 -0.287 50 20 HBGD CNC(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1831276305 MIWRWNIYUUGDII-HZPDHXFCSA-N 410.298 -0.185 50 20 HBGD COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)n(C)n1 1833438919 JVQQVJWPOITODX-GUYCJALGSA-N 416.862 -0.902 50 20 HBGD C/C=C(\C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835931938 IBWAHVFVTDDRTR-IAILITGJSA-N 402.256 -0.597 50 20 HBGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840044743 UQZJVQJZSWVYFM-WBMJQRKESA-N 417.256 -0.296 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnn(C)c3)C2)C1 1840156205 KIVGEVTXYIINGW-MAUKXSAKSA-N 414.890 -0.327 50 20 HBGD O=C(c1cnc2[nH]ncc2c1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013930 FMXQGUFFFZCGJM-UHFFFAOYSA-N 405.223 -0.232 50 20 HBGD COC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@@H](COC(C)=O)OC(C)=O)C1 1844288143 JMFBFXHMHSWKKQ-UONOGXRCSA-N 404.847 -0.062 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2 728509996 SXTKCTYUZAIMBS-QMMMGPOBSA-N 412.449 -0.347 50 20 HBGD C[C@@H]1CN(CCC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccccc2)C[C@@H](C)O1 732263187 LHEGDPAESORODU-HUUCEWRRSA-N 412.512 -0.046 50 20 HBGD CCOc1ccccc1OCC(=O)NNC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 742472316 ZZILBHMKLAIJLG-DTTOXWODSA-N 417.418 -0.226 50 20 HBGD C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)c1cn(CC(N)=O)nn1 742478610 NDWLNIOWZYOBTP-MRVPVSSYSA-N 411.216 -0.246 50 20 HBGD NC(=O)c1ccc(/C=C\C(=O)N2CCC[C@@H]2C(=O)NNC(=O)N2CCOCC2)cc1 745995834 DUUSJNXDIWMRLY-KQQSKNTNSA-N 415.450 -0.137 50 20 HBGD CNS(=O)(=O)Cc1ccc(CNC(=O)NNC(=O)[C@@H](C)OCCOC)cc1 748615356 HEVDDHAKVUASAJ-GFCCVEGCSA-N 402.473 -0.382 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 758045413 OMKRVIHEVBNJEH-CMPLNLGQSA-N 416.887 -0.226 50 20 HBGD Cc1ncsc1C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 763044589 YWCMSRZNQQZBQO-SECBINFHSA-N 411.465 -0.322 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1Br 764229881 CYRIUVQRABSDFB-MRVPVSSYSA-N 421.273 -0.219 50 20 HBGD CCN1CCN(CC(=O)NNC(=O)c2cc(-c3ccccc3OC)[nH]n2)C(=O)C1=O 768274546 UMVUSYXNNBBQKJ-UHFFFAOYSA-N 414.422 -0.463 50 20 HBGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C 780388910 JMTZLLSCKXUESF-UHFFFAOYSA-N 420.513 -0.449 50 20 HBGD Cn1cc(C(=O)CCC(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cn1 796160086 ZQICHTZVPQDTMB-INIZCTEOSA-N 416.390 -0.086 50 20 HBGD COCCN(C)S(=O)(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 821119698 YNUXXVSCHASLOQ-UHFFFAOYSA-N 420.513 -0.472 50 20 HBGD COc1ccccc1N1C[C@@H](C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1=O 919890068 ZKEIQYUCXAKZJP-NWDGAFQWSA-N 410.452 -0.434 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NOC[C@H]3CCOC3)nc2)CC1 1320665239 UQMGVTQCPKWSPI-ZDUSSCGKSA-N 414.488 -0.388 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1CC(=O)C1)C2 1782214523 UGLVVZHWEKDSEN-OXQOHEQNSA-N 408.499 -0.148 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(O)nn3)[C@H]2C1 1785848028 OWZMYSDUXVIMQC-YDHLFZDLSA-N 420.470 -0.852 50 20 HBGD O=C1CC[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](F)Br)C[C@@H]32)N1 1786572518 XQKVRDVYNIIGAE-XGZQDADWSA-N 406.252 -0.065 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cccnc3)C[C@@H]21)c1cccc(B(O)O)c1 1786984305 BGGQFIWUJAIMGM-IHPCNDPISA-N 423.278 -0.403 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(O)nc3)[C@H]2C1 1789302198 ICGHGKJOBNSMRU-JYJNAYRXSA-N 419.482 -0.247 50 20 HBGD Cc1cnc2c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@H](O)CCl)C4)cnn2c1 1797417786 CLGDVECFRFMYIX-AYRXBEOTSA-N 407.858 -0.159 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COc1ccc(O)nn1 1801269721 FUGMRDKPHICMOS-BTTYYORXSA-N 420.470 -0.428 50 20 HBGD Nc1n[nH]c(CCC(=O)Nc2nc3c(s2)C[C@H](NC(=O)[C@H](O)CCl)CC3)n1 1819550027 BSVODDRLARHORQ-VXNVDRBHSA-N 413.891 -0.012 50 20 HBGD O=C(c1cnc(Cl)nc1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1829514267 TWPDRZDGMWSWCT-WBMJQRKESA-N 419.265 -0.200 50 20 HBGD COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)n(C)n1 1830724274 DYIGUWVPPDWHEX-CXAGYDPISA-N 416.862 -0.902 50 20 HBGD CS(=O)(=O)CC(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833308951 FKVXHHDKECPYOL-CQSZACIVSA-N 409.936 -0.798 50 20 HBGD O=C1CC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)CCBr)C3)C2)N1 1835118998 BVRBBPKUPJSHFI-BLLLJJGKSA-N 418.288 -0.494 50 20 HBGD CC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](Cl)COC)CCO2 1840149410 OFMZPBXABASTPZ-VKJFTORMSA-N 419.906 -0.389 50 20 HBGD CC[C@H](Br)C(=O)N1CCCC12CN(C(=O)C[C@H]1NC(=O)NC1=O)C2 1846069308 TVOHNOWQBVFONJ-VHSXEESVSA-N 401.261 -0.039 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccnc1C(N)=O 1848302732 CGVCJQDGJFRNPO-KBPBESRZSA-N 402.455 -0.631 50 20 HBGD CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNC(=O)NC3CC3)cc2)CC1 138692177 HWTZFSWSVYJCPZ-UHFFFAOYSA-N 409.468 -0.354 50 20 HBGD COCCCNC(=O)NNC(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O 139543218 NSUKBDZBWRSULJ-UHFFFAOYSA-N 414.440 -0.542 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cccc(Br)c1 728510306 WFIOBHOFSZYLOC-SSDOTTSWSA-N 400.276 -0.304 50 20 HBGD Cc1cc(NC(=O)[C@@H](C)SCC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)no1 729276979 QGAAHZZUHUDNPA-DTWKUNHWSA-N 407.474 -0.872 50 20 HBGD CN1CCC(N2CC[C@@H](NC(=O)NNC(=O)CNC(=O)c3cccs3)C2)CC1 734283765 MGHOACSJBUFIOC-CYBMUJFWSA-N 408.528 -0.023 50 20 HBGD O=C(CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)[C@@H]1COc2ccccc2O1 742469898 KRCFOOXHFBVPBM-WDTWZTHCSA-N 415.402 -0.474 50 20 HBGD C[C@H]1CN(CCC(=O)NNC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)C[C@@H](C)O1 743290431 GIMLBUIJHMEYEJ-DNDIHPSWSA-N 422.482 -0.814 50 20 HBGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)c2ccc(CS(N)(=O)=O)cc2)c1 744886567 ZHVWLFITWRJIEH-UHFFFAOYSA-N 416.415 -0.035 50 20 HBGD COCCCNC(=O)NNC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 746167583 VFZGHCVNZXWKEB-NSHDSACASA-N 413.456 -0.946 50 20 HBGD CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)Cc2cccnc2)cc1 746218003 ACVXBDIJBAYOOR-UHFFFAOYSA-N 420.447 -0.073 50 20 HBGD O=C(Cc1cn2ccccc2n1)NNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 746638135 ZXLOFLPYOYYQPG-HNNXBMFYSA-N 414.466 -0.795 50 20 HBGD Cn1cnc(S(=O)(=O)NCC(=O)NNC(=O)c2cccc(OC(F)F)c2)c1 756100239 LFIVIWJNERJRJC-UHFFFAOYSA-N 403.367 -0.239 50 20 HBGD CC1(C)C(=O)N(C[C@@](C)(O)C(=O)NNC(=O)C(=O)N2CCCC2)c2ccccc21 760207132 ARSILEYMRMRQAE-HXUWFJFHSA-N 402.451 -0.168 50 20 HBGD COCCCOc1ccccc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764226653 JYDHJRSBHJYMCX-LLVKDONJSA-N 416.456 -0.875 50 20 HBGD O=C(NNS(=O)(=O)N1CCOCC1)c1ccc(S(=O)(=O)N2CCCC2)cc1 765029317 OZRZLIUKXZDXET-UHFFFAOYSA-N 418.497 -0.718 50 20 HBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)CN1CCCCC1=O 766644850 CJMUUKWGFPPHTF-UHFFFAOYSA-N 401.467 -0.396 50 20 HBGD CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 767685438 VKZRTIAIYCFLMC-WDEREUQCSA-N 408.477 -0.566 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 776138208 JSMCVDSTDOLYFJ-JTQLQIEISA-N 415.428 -0.870 50 20 HBGD CS(=O)(=O)c1cccc(NNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)c1 776618825 BLPDAVKTGKYBNT-UHFFFAOYSA-N 419.529 -0.707 50 20 HBGD CC(C)NS(=O)(=O)c1c[nH]c(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)c1 778438435 SCHFUQOCHVPGJV-UHFFFAOYSA-N 403.461 -0.013 50 20 HBGD COc1ccc(Br)c(C(=O)NNC(=O)C(=O)NCC(=O)N(C)C)c1 782701714 ATTSQTSLFGAPFH-UHFFFAOYSA-N 401.217 -0.577 50 20 HBGD CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NNc1ncc(F)cn1 784949713 OIXQWLIJNMSQFE-UHFFFAOYSA-N 408.415 -0.102 50 20 HBGD COc1c(F)cc(S(=O)(=O)NNC(=O)[C@@H]2CCc3nncn3C2)cc1[N+](=O)[O-] 793448400 RUSNCEWTJCYLKK-MRVPVSSYSA-N 414.375 -0.094 50 20 HBGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@H]2COCCN2CC(F)(F)F)n1 801344441 AARZAXJRJYPIDL-SNVBAGLBSA-N 424.401 -0.052 50 20 HBGD C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)NNC(=O)C(=O)N1CCCC1 802526690 FPXHHTRUEGNUIN-CYBMUJFWSA-N 411.484 -0.304 50 20 HBGD CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)NNC(=O)COc2ccc(C#N)cc2)C1 807577895 NBVMEEXUHVUEBV-CQSZACIVSA-N 424.483 -0.462 50 20 HBGD Cn1c(=O)oc2cc(S(=O)(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)ccc21 903956305 BDAHNYSXYQFQSH-UHFFFAOYSA-N 415.391 -0.270 50 20 HBGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCNC1=N)C2 1782170540 PSPMLIUQZQFEDA-PMUMKWKESA-N 415.922 -0.406 50 20 HBGD CO[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccc1C(=O)NN)C2 1782244714 KZVDEISQIFTGAA-GQWAEJPESA-N 419.482 -0.153 50 20 HBGD O=C(COc1cccnn1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2 1782518546 NQECKEKMPQOAEA-PMUMKWKESA-N 412.874 -0.031 50 20 HBGD CC[C@H](C)[C@H](N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1786824848 OUZPFXIXPXYBFH-GMHRPJKWSA-N 411.547 -0.288 50 20 HBGD CN[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)Br)C[C@@H]21)C(=O)O 1786898176 GBBMNYAXZXXPHW-NWBUJAPZSA-N 420.304 -0.188 50 20 HBGD O=C(Cc1ccccc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1795218188 XJKFROIZXSYBIG-RMFSNUHRSA-N 408.263 -0.188 50 20 HBGD O=C1NC(=O)[C@H](CC(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@@H](O)CCl)n[nH]2)N1 1814868168 WUUCKLLDUSJKAX-DCAQKATOSA-N 412.834 -0.400 50 20 HBGD CN(C)C(=O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1826738648 YWMNABQSDCDSAO-SFHVURJKSA-N 415.299 -0.312 50 20 HBGD CCOC(=O)C1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@H](O)CCl)CCO3)C2)CC1 1830735100 CYPIUEJGERBQFP-DYVFJYSZSA-N 418.874 -0.614 50 20 HBGD O=C(c1ncccc1F)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1838244474 AGILFEYRTXAMAS-SUMWQHHRSA-N 401.822 -0.110 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1839236818 MIOTXOJMYMTNKS-JKSUJKDBSA-N 420.297 -0.029 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)[C@@H](O)Cc2ccccc2)C1 1846064558 AHIWZXSANHEEBR-IBGZPJMESA-N 408.263 -0.213 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@H]2CC(=O)N(C3CC3)C2)c1 750655217 KLRPWQUJCQLFGF-LBPRGKRZSA-N 409.468 -0.356 50 20 HBGD CCCc1cnc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)s1 757926731 YFVDLSLHJKEBNE-UHFFFAOYSA-N 420.455 -0.304 50 20 HBGD CC(C)NC(=O)C(=O)NNS(=O)(=O)c1cc(Br)cc(C(=O)O)c1 762463580 VSOPWRNRBKHRPN-UHFFFAOYSA-N 408.230 -0.019 50 20 HBGD CC(C)CC(=O)NNC(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 763886325 STQBUXPDHYXEMO-MRXNPFEDSA-N 418.450 -0.167 50 20 HBGD CSc1c(F)cc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1F 764231725 PHDCBDHWCXNMFT-ZCFIWIBFSA-N 410.424 -0.290 50 20 HBGD Cc1nc(S(=O)(=O)NCC(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)cn1C 772068987 ANDYPZJICOAKQD-SNVBAGLBSA-N 403.461 -0.868 50 20 HBGD Cn1nnnc1-c1cccc(S(=O)(=O)NNC(=O)[C@H]2CCc3nncn3C2)c1 793449309 ZOQIWGQNELLSSP-NSHDSACASA-N 403.428 -0.959 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1779091824 FWCPMFOBDLONQZ-FUHWJXTLSA-N 415.563 -0.682 50 20 HBGD CN[C@@H](CC(=O)N1CCO[C@]2(CCN(C(=O)CO[Si](C)(C)C)C2)C1)C(=O)O 1779296516 UIOLBFMODUAGAD-GUYCJALGSA-N 401.536 -0.270 50 20 HBGD C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1784481696 UVOKAGQXCDCTDL-QAETUUGQSA-N 408.499 -0.623 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)C1=CCCS1 1784571433 PJVTVSPSSXDFJJ-XIRDDKMYSA-N 416.308 -0.020 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccnc1 1794658627 KEDILTVSHMXHQO-XOIINTDNSA-N 410.434 -0.403 50 20 HBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccn2c(O)nnc12 1796289058 KGJSFHLAVVGIEP-ZMJPVWNMSA-N 423.857 -0.108 50 20 HBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN(CCO)CCO)[nH]n1)[C@H](O)CCl 1814875006 LPMRJHUUJXKRKC-ZIAGYGMSSA-N 417.894 -0.712 50 20 HBGD CC(=O)NCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817476880 FWVRHFFORRSISU-MRXNPFEDSA-N 413.243 -0.469 50 20 HBGD NC(=O)[C@H](N)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](O)CCl)CC1 1824181804 MNSSEZMWLAMZGS-ILXRZTDVSA-N 402.923 -0.201 50 20 HBGD CN(CC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](O)CCl)CC1)C(=O)C(=O)O 1824187338 CVKCXVZFCALNAO-KBPBESRZSA-N 417.890 -0.251 50 20 HBGD O=C(c1cnc(Cl)nc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830720274 VSPBEJVGBAFNCF-MLGOLLRUSA-N 419.265 -0.200 50 20 HBGD O=C(CC1CCOCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830724223 WULCVKKHFDINBR-QAPCUYQASA-N 404.891 -0.141 50 20 HBGD COC(=O)CSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1831443040 LGAVBEFBNHSIFJ-DZGCQCFKSA-N 412.867 -0.117 50 20 HBGD Cc1noc(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1834062372 IPDDJGZDCSHBCK-DYVFJYSZSA-N 401.847 -0.039 50 20 HBGD CCOCC(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834801120 QCZSXDNJSBPEIX-UHFFFAOYSA-N 417.315 -0.412 50 20 HBGD CCO/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCC(=O)NN(C)C)CCO2 1840184706 BRWMVIVMVXAQKP-VQFGERMISA-N 412.487 -0.634 50 20 HBGD COC(=O)NCC(=O)N1CCCC12CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1846511292 HARTVSMLMAPAGD-CIAFOILYSA-N 404.427 -0.320 50 20 HBGD CN(CCc1ccccn1)C(=O)CNC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 727473656 NYVYUDSXUBVKHM-UHFFFAOYSA-N 423.437 -0.298 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 728214590 BDSUIRSFQCMVMH-GFCCVEGCSA-N 419.529 -0.997 50 20 HBGD CCN(CC)CC(=O)N1CCN(CC(=O)NNC(=O)c2cccc(C#N)c2)CC1 744398235 CRGIUXBOKOTENA-UHFFFAOYSA-N 400.483 -0.195 50 20 HBGD CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NNC(=O)C(=O)NC(C)C 744446477 AAARRCBMEJJYSJ-ZDUSSCGKSA-N 423.495 -0.188 50 20 HBGD O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1O)N[C@H]1CCN(CCN2CCOCC2)C1 745826686 BZEJAICCUJYZEN-ZDUSSCGKSA-N 422.442 -0.349 50 20 HBGD N#Cc1ccc(C(=O)NNS(=O)(=O)c2ccc(C(=O)NCC(=O)O)cc2)cc1 747072591 GGHZTTSUKLQZOJ-UHFFFAOYSA-N 402.388 -0.004 50 20 HBGD O=C(O)CNC(=O)c1ccc(S(=O)(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)cc1 748214196 HKFYDQBWSCYDHV-HNNXBMFYSA-N 419.415 -0.186 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)[C@@H]3CCCN(C(N)=O)C3)cc2)CC1 748618753 FQLHJIVYBZCQMN-CQSZACIVSA-N 424.527 -0.144 50 20 HBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)ccc1O 751282478 MHGQAUKPSLBJML-UHFFFAOYSA-N 413.433 -0.020 50 20 HBGD Cn1cnc(S(=O)(=O)NCC(=O)NNC(=O)c2cnn(-c3ccccc3)c2)c1 756102357 OTVOVNBMTPQAGJ-UHFFFAOYSA-N 403.424 -0.655 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cncc(I)c1 758028165 ZFGKROMKKHLFQY-ZCFIWIBFSA-N 412.209 -0.615 50 20 HBGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)cc1N1CCCCC1=O 764436037 ZCPGYXPLUKQAIO-HNNXBMFYSA-N 420.422 -0.287 50 20 HBGD COc1ccc(-c2cc(C(=O)NNC(=O)CC[C@H]3NC(=O)NC3=O)n[nH]2)cc1OC 765596859 NJCXYNUYJPRIKC-SNVBAGLBSA-N 416.394 -0.157 50 20 HBGD C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)N1CCN(S(=O)(=O)CBr)CC1 779545950 VNSKPEOPBKELED-KOLCDFICSA-N 412.306 -0.912 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CNc2ccccc2C(N)=O)c1 788260822 HRRUVVUAMQVFSJ-UHFFFAOYSA-N 419.463 -0.091 50 20 HBGD O=C(COC(=O)CCn1cnccc1=O)NNC(=O)[C@@H]1COc2ccccc2O1 796327973 LSHIDXAYOTYWFM-AWEZNQCLSA-N 402.363 -0.836 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NN=C2CCO[C@H](C(F)(F)F)C2)n(C)c1=O 814877117 JHOIOGDHVZKLCC-VIFPVBQESA-N 402.333 -0.353 50 20 HBGD COc1ccc(C)cc1N1C[C@H](C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1=O 919886404 WJODGRYKALGMOW-CHWSQXEVSA-N 424.479 -0.126 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)no3)CCO2)C1 1779032417 JJCMVGJXYXLJST-SFHVURJKSA-N 416.394 -0.864 50 20 HBGD CN1CCN(CC(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](F)Br)C3)C2)CC1 1781330340 WPXVPFYCVJSEDY-GDBMZVCRSA-N 421.311 -0.246 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2(F)CC2)C1 1781615696 ZYCSOJUKULHPRI-VQIMIIECSA-N 404.247 -0.004 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CNC(=O)C2)C1 1781780158 QLMYTQAMSULWRA-UHQDVWGKSA-N 401.891 -0.110 50 20 HBGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC[C@H](N)C(N)=O)C2 1782170562 QSHTZQKJWZJEPQ-UYAYXHRUSA-N 418.922 -0.653 50 20 HBGD CCn1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)n1 1786174909 XXEPXIRGMHFIDW-ZOBUZTSGSA-N 420.514 -0.131 50 20 HBGD Cn1cnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)c1 1786984638 TWZSMRDXYHGBQE-ZVZYQTTQSA-N 412.255 -0.993 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3C[C@@H](O)C3)[C@H]2C1 1788120019 BWBFVJGOKLNHRZ-PMUIAIRXSA-N 417.466 -0.951 50 20 HBGD O=C1C[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](F)Br)C[C@@H]32)CN1 1790859939 MKFSJODJDLWFQQ-VGDATSSVSA-N 406.252 -0.207 50 20 HBGD N=C(N)SCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1796032459 SDSUFBHPXFYOEC-QDMKHBRRSA-N 404.301 -0.365 50 20 HBGD N[C@@H](Cc1cscn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1796305122 WZUFCQXSSIHQSS-DKUYFVBVSA-N 402.904 -0.798 50 20 HBGD CCNC(=S)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](Cl)COC)C2 1800186947 YJTSLNDSKZAKFX-GFQSEFKGSA-N 406.936 -0.686 50 20 HBGD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1800954735 XQWLNTXNOYDJPX-PRFSMCDRSA-N 414.886 -0.069 50 20 HBGD C[C@@](O)(CC(=O)O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1802324204 IUWOBMRFWSTIOU-QOIOWGMHSA-N 418.255 -0.766 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)c3nc[nH]n3)sc2C1 1816036886 ZIPFGKNFWYXLFE-SECBINFHSA-N 406.472 -0.140 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)Cn3nccn3)sc2C1 1823119254 DJRNQMVOHQFTLZ-NSHDSACASA-N 420.499 -0.280 50 20 HBGD O=C(c1ccc(=O)oc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830725435 OMOXFINBTSTDDN-DYVFJYSZSA-N 400.815 -0.691 50 20 HBGD O=C(COc1cccnc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830726992 ZCJMYTVNYROPJK-QAPCUYQASA-N 413.858 -0.484 50 20 HBGD C[C@@H]1C[C@]1(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835931089 FULQHURMCYVSSD-NQERJWCQSA-N 416.283 -0.518 50 20 HBGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc[nH]n3)CCO2)C1 1836345546 FNULQXRQGWFDNF-XHDPSFHLSA-N 416.276 -0.094 50 20 HBGD C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](Cl)COC)CCO2)C1 1840153642 WBKAEGBVPDISNF-HBUWYVDXSA-N 417.890 -0.613 50 20 HBGD CC(=O)NCC(C)(C)C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1841681033 OSVZWYNVVGLFMQ-UHFFFAOYSA-N 401.272 -0.654 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2nc3ccccn3n2)C1 1843230273 OSXRIYNGVATSAK-UHFFFAOYSA-N 420.433 -0.141 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)CSCC(=O)O)C2 1844265361 VISWZQFJJHHMHO-UHFFFAOYSA-N 407.452 -0.680 50 20 HBGD C[C@H]1CN(CCC(=O)NNC(=O)CN(C)S(=O)(=O)c2cccnc2)C[C@H](C)O1 732261687 FHZSXVDZGGSYIC-KBPBESRZSA-N 413.500 -0.651 50 20 HBGD O=C(COc1ccc(F)cc1)NNC(=O)NCCNS(=O)(=O)Cc1ccon1 750659890 IQCGHIIKPTZHAK-UHFFFAOYSA-N 415.403 -0.358 50 20 HBGD C[C@]1(c2ccccc2)NC(=O)N(CC(=O)NNC(=O)CNC(=O)c2ccco2)C1=O 751206678 LKURGVSGBAPTPP-LJQANCHMSA-N 413.390 -0.376 50 20 HBGD O=C1CN(S(=O)(=O)c2ccc(C(=O)NNc3ncccc3[N+](=O)[O-])cc2)CCN1 759301800 DJMXKYMWCCQIOV-UHFFFAOYSA-N 420.407 -0.133 50 20 HBGD Cc1cccc(OCC(=O)NNC(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)c1 763630888 PLXKTKAWDPAWGF-UHFFFAOYSA-N 424.410 -0.054 50 20 HBGD COc1ccccc1C(=O)NNC(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 764042117 BBZZVDNBWGJXEW-UHFFFAOYSA-N 410.390 -0.021 50 20 HBGD C[C@H](C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1)N1C(=O)CCC1=O 766636984 VZJQVNPICNNNMV-CQSZACIVSA-N 415.450 -0.871 50 20 HBGD CSCCNC(=S)NNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 769768094 XFEZLWNSUKAOPN-UHFFFAOYSA-N 408.527 -0.228 50 20 HBGD Cc1c(S(=O)(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cnn1C 793411545 KBAHJURPHSSYCQ-UHFFFAOYSA-N 420.495 -0.504 50 20 HBGD COc1ccc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cn1 795280117 CKRWUDMMHPUXAJ-UHFFFAOYSA-N 414.465 -0.036 50 20 HBGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)[C@H]2CCCN2S(C)(=O)=O)cc1 802067781 METNLCXLWGWYIJ-GFCCVEGCSA-N 404.470 -0.333 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CCCC(=O)c1ccc2c(c1)OCCO2 806788124 QFNURMVNXDUESF-LLVKDONJSA-N 413.452 -0.104 50 20 HBGD COCCNC(=O)Cn1cc(NC(=O)C(=O)NNc2ccc([N+](=O)[O-])cc2C)cn1 807456266 DLLWXWUAOREJPO-UHFFFAOYSA-N 419.398 -0.056 50 20 HBGD CC(C)n1nc(C(=O)NNC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)c2ccccc2c1=O 816805778 IPMIGEGSFWXHIF-IIAWOOMASA-N 402.407 -0.849 50 20 HBGD O=C(NNC(=O)[C@H]1CCCN1C(=O)Cc1ccccc1)N[C@H]1CCS(=O)(=O)C1 920293123 JXPRUXMNSYBNCA-LSDHHAIUSA-N 408.480 -0.262 50 20 HBGD COCCCNC(=O)NNC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1 1319081924 BALLRYBSNOQMSJ-UHFFFAOYSA-N 400.457 -0.471 50 20 HBGD C[C@H](C(=O)NNC(=O)c1n[nH]c2c1CCCC2)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 1322222744 LGFWMTHBJLSUGR-OJGWYHNPSA-N 401.423 -0.400 50 20 HBGD Cc1ncc(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)cn1 1783936724 SLMPPFAZTCKBCB-IBGZPJMESA-N 404.471 -0.398 50 20 HBGD O=C1CN(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(Cl)Cl)[C@H]3C2)C(=O)N1 1791294080 GNYWWAAOKUQXJL-GUBZILKMSA-N 407.254 -0.678 50 20 HBGD O=C(/C=C/c1cccnc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1794150674 XCWNHNZQYFGYGK-YZGUPXOGSA-N 421.262 -0.322 50 20 HBGD O=C(COCCO)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809980179 OIDMNSXFXFIHQX-UHFFFAOYSA-N 404.272 -0.780 50 20 HBGD COc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cn1 1830725098 DRGCLTNKIMKDSE-KBXCAEBGSA-N 413.858 -0.240 50 20 HBGD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1832795979 IXKUDTORNCBKHA-ZFWWWQNUSA-N 419.797 -0.218 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccon1)CCO2 1834489977 XNVDGLRAWWLJBY-GOSISDBHSA-N 409.443 -0.882 50 20 HBGD O=C(COCCO)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839201587 BKJRARJGIFYJMC-JSGCOSHPSA-N 413.240 -0.858 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C(=O)OC)CC1)CCO2 1839898706 OKYDTESTIRRMJM-GUYCJALGSA-N 418.874 -0.350 50 20 HBGD Cc1ocnc1C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185461 MLNQDQQKZUKZOO-IBGZPJMESA-N 423.470 -0.574 50 20 HBGD O=C(CCn1cncn1)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1840359521 KMDLXDCRBIPLHT-OAHLLOKOSA-N 406.270 -0.072 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)COc2ccc(O)nn2)C1 1845773264 ITSNBXOSSIKGTM-UHFFFAOYSA-N 406.443 -0.863 50 20 HBGD CCC(CC)NC(=O)C(=O)NNC(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 740852580 DEOJHDRLFZAZOP-CQSZACIVSA-N 406.418 -0.302 50 20 HBGD CC(C)COc1cccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 764227977 SUIYHUWGYSDSTL-NSHDSACASA-N 400.457 -0.255 50 20 HBGD CCC(CC)NC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)COC)c2ccccc2O1 764304244 XBJDMEGJADZBDY-HNNXBMFYSA-N 406.439 -0.121 50 20 HBGD CCOCC(=O)NNC(=O)C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1 764325100 DQDPGGFVWWAUIP-UHFFFAOYSA-N 412.406 -0.333 50 20 HBGD COc1ccc(C(=O)NNC(=O)CNC(=O)c2cccnc2)cc1N1CCNC1=O 764342015 BTZCJXCCAOLBIG-UHFFFAOYSA-N 412.406 -0.189 50 20 HBGD CCN1C(=O)C(=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c2cc(C)ccc21 764817351 LCZMXVIYLOQBMD-UHFFFAOYSA-N 423.433 -0.371 50 20 HBGD Cn1c(=O)c2cc(C(=O)NNC(=O)CSc3ccccc3O)n(C)c2n(C)c1=O 765249067 JKERTYAQSLVUQX-UHFFFAOYSA-N 417.447 -0.165 50 20 HBGD COc1ccc(N2CCN(C(=O)/C=C/C(=O)NNC(=O)C(=O)NC(C)C)CC2)cc1 778220749 BNFTVHMFJMXGKR-CMDGGOBGSA-N 417.466 -0.428 50 20 HBGD CN(C)S(=O)(=O)c1ccc(CC(=O)NNC(=O)CNC(=O)c2ccco2)cc1 793336414 KWNLSGZAGJWQGT-UHFFFAOYSA-N 408.436 -0.350 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F 810345855 SXSQSTXJVXDVEY-NKWVEPMBSA-N 406.383 -0.473 50 20 HBGD O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)NN=C1C(=O)NC(=O)NC1=O 814225199 PKEJEDXAYBCCQZ-UHFFFAOYSA-N 406.830 -0.704 50 20 HBGD O=C(NNC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1)N[C@H]1CCS(=O)(=O)C1 919884070 DQRAKLZMLNKJSR-OLZOCXBDSA-N 401.489 -0.568 50 20 HBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN(CCO)CCO)C2)[C@H](F)Cl 1778030884 ZNGXBEWGSPSBRW-UKPHBRMFSA-N 409.886 -0.679 50 20 HBGD Nc1n[nH]c(CCC(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](F)Br)C3)C2)n1 1781332092 TWOJUTPTLAIRRZ-BXUZGUMPSA-N 419.255 -0.160 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccs1)C2)c1ccc(B(O)O)cc1 1795732482 LLHALWNLZBCCBI-XOIINTDNSA-N 400.265 -0.055 50 20 HBGD CCNC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2 1797700850 VTDVBUGEOKLXFE-ZIQFBCGOSA-N 423.283 -0.026 50 20 HBGD CCC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)COC1 1800386823 CVDBXIKNWCQNKF-YWVIFJGQSA-N 417.466 -0.685 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@@](C)(O)CC(=O)O 1802327899 UPTLSOVIMCSEGQ-ZYKCCNLVSA-N 412.487 -0.387 50 20 HBGD O=C(NC[C@@H]1CCN(C(=O)[C@@H]2C=CCN2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807363527 OXKFGDNDFRAOEL-IHPCNDPISA-N 420.278 -0.391 50 20 HBGD CN(C)C(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2 1830354279 VXWGYDHZDKCKNR-GOSISDBHSA-N 418.922 -0.021 50 20 HBGD O=C(C1CCC(O)CC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830737850 JBKDLYDZRAPILT-ZUBZBLCWSA-N 404.891 -0.406 50 20 HBGD C[C@H](Cn1cccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1833191805 VKSNXEDHSLUPAD-RVKKMQEKSA-N 414.890 -0.425 50 20 HBGD N=C1NCCN1CC(=O)N1CCC(N2CCC(NC(=O)[C@@H](F)Cl)CC2)CC1 1835080265 OIKGOWDVKQCSBG-OAHLLOKOSA-N 402.902 -0.068 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CSC(=N)N)CCO2)C1 1835516821 VQFUIFWPODAQIR-XHDPSFHLSA-N 408.908 -0.677 50 20 HBGD C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)C1 1835926652 WMDHLGYGPOQJLU-NRFANRHFSA-N 414.267 -0.597 50 20 HBGD O=C(c1cn2cccnc2n1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1836883649 RTHXYHBFZPJFBI-KBXCAEBGSA-N 423.857 -0.601 50 20 HBGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1)N1CCN(C)CC1 1839102980 ZZSGGXDNPZHIOJ-VKJFTORMSA-N 420.913 -0.387 50 20 HBGD CC(=O)Nc1cccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2ccc(B(O)O)cc2)n1 1848305508 APQXZWYTCWKONW-ROUUACIJSA-N 422.250 -0.151 50 20 HBGD CC(=O)N1CCN(C(=O)CCNC(=O)NNC(=O)COc2cccc(C)c2)CC1 730819773 CYRZWVZULTZYFA-UHFFFAOYSA-N 405.455 -0.215 50 20 HBGD Cn1c(=O)c2c(ncn2CCC(=O)NNC(=O)COCc2ccccc2)n(C)c1=O 737629210 LSZNBBHDFKQZOJ-UHFFFAOYSA-N 414.422 -0.812 50 20 HBGD O=C(NNS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)[C@H]1Cc2ccccc2O1 748213467 CUKUYUKZLKVXJZ-CQSZACIVSA-N 402.388 -0.470 50 20 HBGD O=C(NNC(=O)c1cccn2c(I)cnc12)C(=O)NC1CC1 750607781 ZQYVZEIJYAWEHO-UHFFFAOYSA-N 413.175 -0.022 50 20 HBGD COc1cc(F)ccc1NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 755668401 VRLNLQWTZQJHSR-UHFFFAOYSA-N 419.373 -0.566 50 20 HBGD CNS(=O)(=O)c1cccc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1C 757722218 VKBDOOFGEDYDSM-SNVBAGLBSA-N 404.470 -0.509 50 20 HBGD COCC(=O)NNC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 757775615 JMUOVTMPLOBGRF-UHFFFAOYSA-N 415.472 -0.427 50 20 HBGD CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NNC(=O)C3CC3)c2)CC1 763564308 YZACJHPFTVFICL-UHFFFAOYSA-N 409.468 -0.881 50 20 HBGD COCC(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 764304253 XCNODCKTELLWSD-MOSHPQCFSA-N 411.440 -0.768 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2cc(O)ccc2[N+](=O)[O-])n(C)c1=O 764815776 GFRQBQYDOAQOEH-UHFFFAOYSA-N 401.339 -0.802 50 20 HBGD NC(=O)c1ccc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)nc1 766651189 LFSNTUNFARMNAB-UHFFFAOYSA-N 410.434 -0.601 50 20 HBGD O=C(NNS(=O)(=O)c1cc2nc(O)[nH]c2cc1Br)[C@@H]1COCCO1 768504537 MMHFXZULQVLLGR-VIFPVBQESA-N 421.229 -0.244 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccnn1-c1cccc(F)c1 770771454 KHYFWDNFFKPMEH-SECBINFHSA-N 412.403 -0.965 50 20 HBGD O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCN(S(=O)(=O)CBr)CC1 777833694 YWPRAXDSIUUXKV-UHFFFAOYSA-N 423.245 -0.417 50 20 HBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)NCCS(=O)(=O)NCC1CCC1 778662595 SHLCBEHVVVEHEC-UHFFFAOYSA-N 407.493 -0.439 50 20 HBGD CC(C)NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)cc1 784002431 FKAGHPWDGWHWDK-UHFFFAOYSA-N 415.406 -0.066 50 20 HBGD NS(=O)(=O)[C@H]1CCCN(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1 799983857 PJLGJNQECVKFOU-ZDUSSCGKSA-N 413.456 -0.594 50 20 HBGD C[C@H](CCS(C)(=O)=O)NC(=O)NNC(=O)c1csc(N2CCOCC2)n1 1319158371 VRMNZKMTIGFLBM-SNVBAGLBSA-N 405.502 -0.253 50 20 HBGD C=CC(=O)N[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2 1779527863 GWYHYAOZMVSUAQ-HNSFDTNUSA-N 401.891 -0.209 50 20 HBGD COCc1c[nH]c(C(=O)N2CC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1 1780079296 QTIQGCBQFAHCJV-FQEVSTJZSA-N 421.498 -0.022 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccccc1O 1785804904 WVCCNRNTIINBIS-QSFXBCCZSA-N 424.262 -0.021 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@H]2CO[C@@H](CNC(=O)C3(F)CCC3)[C@H]2C1 1791854745 LCRXUSLFLCVTOZ-XIRDDKMYSA-N 404.247 -0.148 50 20 HBGD Cc1cc2nnc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@H](O)CCl)c(C)n2n1 1792978143 GFDUFJPLIOTICD-OQMKEHIESA-N 422.873 -0.456 50 20 HBGD C[C@@]1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)CC1(F)F 1795740782 GPNHXNRPDYHVNJ-HRJSJKBJSA-N 408.210 -0.385 50 20 HBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCN(C)CC1 1797238135 DGRSLOISBXZNNJ-JYYAWHABSA-N 402.923 -0.923 50 20 HBGD Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)nn1C 1830719680 HIFLMFQKRPLAJW-CRAIPNDOSA-N 414.890 -0.673 50 20 HBGD Cc1noc(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1834062373 IPDDJGZDCSHBCK-GUYCJALGSA-N 401.847 -0.039 50 20 HBGD CCOC(=O)N[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](Cl)CC)C2)C1 1837209786 VAPQHFPLRIGWFD-XNJGSVPQSA-N 421.878 -0.475 50 20 HBGD CC(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CO[Si](C)(C)C)CCO2 1837715801 KEVXRKKJTLABQP-KRWDZBQOSA-N 401.536 -0.570 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3nccn3)C2)C1 1839154127 CANGOIXKDWZKBT-HOTGVXAUSA-N 420.297 -0.029 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CNC(=O)C3)CCO2)C1 1839872794 LYJQZJRWQYBMIF-AFAVFJNCSA-N 422.309 -0.185 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@H]3F)C2)C1 1840184966 GPNXABCRSBEDLW-PMUMKWKESA-N 400.451 -0.826 50 20 HBGD Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 728374587 CVFTXLAIFKVRMF-ZDUSSCGKSA-N 417.509 -0.446 50 20 HBGD O=C(NNC(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1)C(=O)N1CCCC1 748241291 URKDTTIZMUOWLW-UHFFFAOYSA-N 412.443 -0.006 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NNC(=O)C(=O)N2CCCC2)cc1 748246171 HHNNUJTYYINVNZ-HNNXBMFYSA-N 408.480 -0.082 50 20 HBGD CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2cccc(C(N)=O)n2)cc1 763873727 YDQPMYVFCCUDHW-LLVKDONJSA-N 413.390 -0.064 50 20 HBGD C[C@@H](CNC(=O)C(=O)NNC(=O)c1cccc(Br)c1)S(N)(=O)=O 764059800 ZPSNOKXOGPHAMO-ZETCQYMHSA-N 407.246 -0.997 50 20 HBGD CC(C)COc1ccccc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764230662 IXPDJLCPXSXJTD-LLVKDONJSA-N 400.457 -0.255 50 20 HBGD Cc1ccccc1CC(=O)NNC(=O)Cn1cc(S(=O)(=O)N(C)C)ccc1=O 768257690 JGVXNVQBYWPCIV-UHFFFAOYSA-N 406.464 -0.203 50 20 HBGD O=C(COC(=O)[C@H]1COCCN1CC(F)F)NNC(=O)c1cccc([N+](=O)[O-])c1 786953433 YQQSJZWZVVAYFI-GFCCVEGCSA-N 416.337 -0.135 50 20 HBGD O=C(NCCC(=O)N1CCN(c2ncccn2)CC1)NNc1nc2ccccn2n1 790278208 WJKHEOSUSAQOHA-UHFFFAOYSA-N 410.442 -0.116 50 20 HBGD COc1ccc(CN2CC[C@@H](NC(=O)NNC(=O)C(=O)NC3CC3)C2=O)c(OC)c1 807577153 FLUKUTHOFHNKPT-CQSZACIVSA-N 419.438 -0.586 50 20 HBGD CC(=O)NC[C@@H]1CCn2ncc(C(=O)NNC(=O)CNC(=O)c3cccs3)c2C1 1116774885 YUCWIZHZWKCSMZ-GFCCVEGCSA-N 418.479 -0.166 50 20 HBGD Cc1cc2nnc(C(=O)N3CC[C@@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)c(C)n2n1 1777779542 VYVWNWRKOCLLGG-FZKQIMNGSA-N 422.873 -0.216 50 20 HBGD N#Cc1cccc(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1 1780600167 NYQFAHKYCUIUDX-JOCHJYFZSA-N 419.246 -0.005 50 20 HBGD CN(CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2)C(=O)C(=O)O 1782749383 DHXUATOCWQMORS-HOTGVXAUSA-N 424.281 -0.404 50 20 HBGD Cc1ncccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1785961849 REJLGJYSOCLICK-VDGAXYAQSA-N 423.278 -0.023 50 20 HBGD Cc1ncc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)cn1 1786979482 OBDUFILIGULYRA-SNRMKQJTSA-N 424.266 -0.628 50 20 HBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Cl)[C@H]2C1 1787446571 REDGULBOUWXMDU-LXFSFDBISA-N 422.837 -0.005 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncc(F)c1)C2)c1cccc(B(O)O)c1 1795737455 IDYZZNHLBFQZHT-JLVBRIDZSA-N 413.214 -0.583 50 20 HBGD O=C1C[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](F)Br)C3)CCN1 1801069084 FCDMAAQJUWBSAE-UWHIDBLNSA-N 406.252 -0.207 50 20 HBGD O=C(CN(CCO)CCO)N1CCC2(CCCN(C(=O)[C@H](O)CCl)C2)CC1 1805526379 RHVMUMYJNALSHP-OAHLLOKOSA-N 405.923 -0.896 50 20 HBGD CN[C@H](CC(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@H]1c1cccnc1)C(=O)O 1807195228 CAEMBNCSHRFRDN-FQLMCAECSA-N 412.874 -0.250 50 20 HBGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2CNC(=O)O2)[nH]n1 1822410670 OJEHOFLAKORYIM-OLZOCXBDSA-N 421.458 -0.117 50 20 HBGD O=C(c1ncccc1F)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731420 JIMPNHUCNUIWLP-CXAGYDPISA-N 401.822 -0.110 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc[n+]([O-])c3)CCO2)C1 1833279293 SGTCDJNNFGFELA-YJBOKZPZSA-N 413.858 -0.356 50 20 HBGD O=C1CN(CC(=O)NC2CCN(C3CCN(C(=O)[C@H](F)Cl)CC3)CC2)C(=O)N1 1833711155 CMFCSCWSENHLLZ-HNNXBMFYSA-N 417.869 -0.356 50 20 HBGD CC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835929550 VNDKMQZRHOWPKZ-GOSISDBHSA-N 412.198 -0.908 50 20 HBGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CNC(=O)C1)CCO2 1839868012 RBGSICVPVMZUPQ-QWQRMKEZSA-N 401.891 -0.014 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)CN2CCSCC2)C1 1841040349 PAIQXRPABKXPOP-UHFFFAOYSA-N 403.313 -0.768 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)CCC(=O)N2CCCC2)C1 1841875697 LVZPVYCFEPMDKY-UHFFFAOYSA-N 407.515 -0.035 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)CSC(=N)N)C1 1842863993 SJCZDQWDKIZMKK-SRZZPIQSSA-N 405.484 -0.050 50 20 HBGD COc1cccc(CC(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)n1 1843013120 LRWUDDKTAUFPFM-UHFFFAOYSA-N 409.251 -0.170 50 20 HBGD C[Si](C)(C)OCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCS(=O)(=O)CC1 1848073019 DRLNOOOCUCVXPE-GJZGRUSLSA-N 417.604 -0.230 50 20 HBGD CCS(=O)(=O)NC1CCN(C(=O)NNC(=O)CNC(=O)c2cccs2)CC1 725874209 WSVGFVPLTCUAHX-UHFFFAOYSA-N 417.513 -0.378 50 20 HBGD COCCOCCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 728752649 PNKUVUIRBGNJTD-UHFFFAOYSA-N 402.473 -0.066 50 20 HBGD C[C@H](CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1 729171077 KVAORFDFGSNZCC-GHMZBOCLSA-N 406.457 -0.040 50 20 HBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 730519406 LEBFQFONVLFKNS-OAHLLOKOSA-N 410.496 -0.100 50 20 HBGD COc1ccc(S(=O)(=O)C[C@H](C)C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 734994700 UIJQEKGYMDVSAU-NWDGAFQWSA-N 418.493 -0.313 50 20 HBGD CN1C[C@@H](NC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1=O 750652537 BZWRMYNFSQKISY-ZDUSSCGKSA-N 409.468 -0.354 50 20 HBGD Cc1ccc(F)c2c1NC(=O)C2=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O 750932887 SFTNXIQJIMMAGK-UHFFFAOYSA-N 406.399 -0.509 50 20 HBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)n1 764565334 CVQLFDZTWZVWEM-CYBMUJFWSA-N 404.452 -0.114 50 20 HBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)Cn1ccc([N+](=O)[O-])n1 766635900 IODWUQSTSDLMAU-UHFFFAOYSA-N 415.410 -0.603 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1OC(C)C 787542506 LJJXURLNPMAKHP-LLVKDONJSA-N 400.457 -0.194 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@](N)(c1cccc(F)c1)C(F)(F)F 806787909 PJYHMQFNEGONEN-MADCSZMMSA-N 400.354 -0.373 50 20 HBGD CCOC(C)(OCC)C(=O)NNC(=O)Cn1cc(Br)c(O)nc1=O 807368760 KAMUPFYAZKHKAE-UHFFFAOYSA-N 407.221 -0.352 50 20 HBGD Cn1nc(SCC(=O)NN=C2CCCc3c2ccc(=O)n3C)c(=O)n(C)c1=O 814785258 OTLJSLSRJIAROP-UHFFFAOYSA-N 404.452 -0.873 50 20 HBGD O=C(NNC(=O)[C@H]1CCCO1)C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 815778280 KBBVDKUAIXZJMG-CQSZACIVSA-N 410.452 -0.264 50 20 HBGD Cn1nc(C(=O)NNC(=O)Cn2c(O)nc3ccccc3c2=O)c2ccccc2c1=O 915190893 RJCNOOKRTKXJDP-UHFFFAOYSA-N 420.385 -0.190 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1csc(N)n1)CCO2 1783933739 GOILDYKFTMZWFA-KRWDZBQOSA-N 410.500 -0.458 50 20 HBGD O=C(COc1ccc(O)nn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1790589344 XAJMEDREULZHTK-CYDGBPFRSA-N 414.846 -0.860 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccns1 1794535278 IGVLOAYIYDSMSP-QHBPRCKVSA-N 416.463 -0.341 50 20 HBGD CCOC(=O)/C=C/C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1795091424 JXCMNLKEIRTJSZ-GTXUSWSFSA-N 410.471 -0.932 50 20 HBGD COc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)n(C)n1 1796188363 VCLFMMOBQHGFEZ-MUJYYYPQSA-N 412.255 -0.326 50 20 HBGD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)n1cccn1 1801383344 DUSGVIBZCKJDTQ-SCNOPHJPSA-N 412.255 -0.973 50 20 HBGD C[C@H](C(=O)N1CC[C@H](CNC(=O)[C@@H](O)CCl)[C@H]1c1cccnc1)n1cnnn1 1803146081 KELARJCHGROGPA-REBRKWNGSA-N 407.862 -0.065 50 20 HBGD C[C@H](NC=O)C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807372230 BYNXODGKAUHMTP-POZUXBRTSA-N 424.266 -0.785 50 20 HBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C(=O)N(C)C)CC2 1826085070 BWCFXLYYRIIKOS-SNVBAGLBSA-N 410.500 -0.484 50 20 HBGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1)C1(O)CCC1 1829732557 VXJDUGSTVLRIBO-CKEIUWERSA-N 404.891 -0.406 50 20 HBGD Cc1noc(N)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1835621407 FNYGFXHRTOISPA-BDJLRTHQSA-N 402.835 -0.765 50 20 HBGD Cc1nc(N)sc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1835800534 FHJIATMBVKTKCU-BZNIZROVSA-N 418.903 -0.297 50 20 HBGD Cn1ncnc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839198346 YIMCCSSSUFIEQC-QMTHXVAHSA-N 420.239 -0.424 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3nnc(C)o3)C2)C1 1840151796 NSCFDTHZBXDQQM-DYVFJYSZSA-N 416.862 -0.369 50 20 HBGD C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)C(Cl)Cl)CCO2)C1)n1cnnn1 1840190581 CHWLCOWNOBRNFF-IINYFYTJSA-N 407.258 -0.506 50 20 HBGD O=C(COc1ccc(O)cc1)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(B(O)O)c1 1847434528 UIIBAXOVRUUHQP-OALUTQOASA-N 410.235 -0.034 50 20 HBGD C[C@H](NS(=O)(=O)c1cccs1)C(=O)NNC(=O)CNC(=O)c1ccco1 725740022 BFELRDKQDGDCTD-VIFPVBQESA-N 400.438 -0.415 50 20 HBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)c1ncccn1 743282951 VDMBGKDDZUYWSX-UHFFFAOYSA-N 419.463 -0.109 50 20 HBGD Cc1nc(CNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)no1 745854006 DVCYTJBYMJJBIW-UHFFFAOYSA-N 410.460 -0.465 50 20 HBGD COC(=O)CCCc1nnc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)s1 756682495 DQHNJHWHODIXMH-ZETCQYMHSA-N 408.462 -0.876 50 20 HBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)c1ccnnc1 756737817 CVGOTXPPSQTBDK-UHFFFAOYSA-N 419.463 -0.109 50 20 HBGD CC(C)NS(=O)(=O)NCCNC(=O)NNC(=O)c1cnn(-c2ccccc2)c1 759032704 SAEPVSRDMWOBSG-UHFFFAOYSA-N 409.472 -0.351 50 20 HBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc(N2CCOCC2)c2ccncc12 764203977 NIJFTKSCAFIIOH-UHFFFAOYSA-N 400.439 -0.281 50 20 HBGD O=C(Cc1cc[nH]n1)NNC(=O)C(=O)Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O 764285830 NBOFXAGBAYEPNI-UHFFFAOYSA-N 410.390 -0.256 50 20 HBGD Cc1ccccc1CC(=O)NNC(=O)CN1CCN([C@@H](C)C(=O)NC2CC2)CC1 766845279 AUAMAMCXLBHDRW-INIZCTEOSA-N 401.511 -0.030 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O 772995608 AHAXJZFWKITVME-SECBINFHSA-N 405.333 -0.107 50 20 HBGD Cc1c(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)cnc2c1c(=O)n(C)c(=O)n2C 778441575 MIOFWPLUSUUDQW-UHFFFAOYSA-N 420.426 -0.774 50 20 HBGD CO[C@H]1Cc2ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c3ccco3)cc2C1 784002370 OEJNUNSOAYWWSM-AWEZNQCLSA-N 400.391 -0.091 50 20 HBGD O=C(COC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NNC(=O)c1ccccc1 786368465 VUMXUSOHDXNKJG-BQGCOEIASA-N 415.402 -0.457 50 20 HBGD CCCNC(=O)NNS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 790392238 QJHJDFLITBINLD-UHFFFAOYSA-N 420.513 -0.082 50 20 HBGD COC(=O)CNC(=O)NNS(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F 794872980 NVLVOMBMBXADAB-UHFFFAOYSA-N 419.359 -0.354 50 20 HBGD CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)NNC(=O)COc1ccccc1O 800057048 XLWCWCBGTZJNGA-RYUDHWBXSA-N 400.457 -0.181 50 20 HBGD CSCc1cnc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)s1 814877696 VTUHCNIGRQHUBI-UHFFFAOYSA-N 407.481 -0.097 50 20 HBGD Cc1csc(CC(=O)NNC(=O)CN2CCCC[C@H]2CNS(C)(=O)=O)n1 914612494 LGRAQNHLBJNMAM-LBPRGKRZSA-N 403.530 -0.455 50 20 HBGD O=C(CN1CCCC1=O)NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 920435392 HFXAVCKAVLZYIF-CQSZACIVSA-N 408.480 -0.143 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1 1778131851 STSVAFPBCPNNSF-HZFIJWBDSA-N 417.466 -0.279 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780337898 MPRDLNAAELUBEF-IBGZPJMESA-N 402.455 -0.297 50 20 HBGD O=C([C@H](O)N1CCOCC1)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781331151 DSERMEPQRCNUDZ-WHOFXGATSA-N 424.267 -0.843 50 20 HBGD O=C1C[C@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@H](O)CCl)C3)CCN1 1782267887 NLEHGPJPHRSSLM-UHQDVWGKSA-N 401.891 -0.374 50 20 HBGD C[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CN(C)C(=O)C(=O)O)CCO2)C1 1783535291 BGVFPGHCJRLYOH-MEBBXXQBSA-N 420.260 -0.857 50 20 HBGD C[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CN(C)C(=O)C(=O)O)CCO2)C1 1783535292 BGVFPGHCJRLYOH-ZUZCIYMTSA-N 420.260 -0.857 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)c3cccnc3)CCO2)C1 1783873813 UZORKYPBALMIRK-BEFAXECRSA-N 424.885 -0.105 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2 1783880794 GWDCWRHGFLYIDK-ZENOOKHLSA-N 408.904 -0.353 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnc(N(C)C)o1)CCO2 1783936384 MQYPFXIZPFUVBQ-IBGZPJMESA-N 422.486 -0.443 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccns3)C[C@@H]21)c1cccc(B(O)O)c1 1786984593 RAFQEGYFMJVYCT-BPUTZDHNSA-N 415.280 -0.270 50 20 HBGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCOCC3)C[C@@H]21 1791251347 FQIRNRDFXPYBRK-JONQDZQNSA-N 403.907 -0.448 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cocn1 1794938085 DCXIQFMYEKRCDB-QHBPRCKVSA-N 400.395 -0.810 50 20 HBGD Cn1ccc(=O)cc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1799221912 YZIGBQIFOMGCBW-BJWYYQGGSA-N 409.251 -0.369 50 20 HBGD N=C1NCCN1CC(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1 1807111378 CVLKDMVEUKJOCY-OFQRWUPVSA-N 408.890 -0.473 50 20 HBGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](N)CCC(N)=O)CC2 1825999513 SPXUOUSFXBKYFS-GUBZILKMSA-N 417.919 -0.098 50 20 HBGD O=C(c1cc(O)ccc1O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830732783 AQIBDNMKMZLKIW-MAUKXSAKSA-N 414.842 -0.233 50 20 HBGD CCCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837668978 DIXRWHROUDFUFI-GLJUWKHASA-N 419.906 -0.653 50 20 HBGD NC[C@H](N)C(=O)N1CCC(OC2CCN(C(=O)[C@H](F)Br)CC2)CC1 1838075566 OKYHXGRTUWQZJZ-STQMWFEESA-N 409.300 -0.039 50 20 HBGD CCOC(CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1)OCC 1840280232 ZZIRDTVWPXCXFO-RDTXWAMCSA-N 422.906 -0.168 50 20 HBGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cn1 65774921 ATHRLGGZWPKQEK-UHFFFAOYSA-N 402.396 -0.073 50 20 HBGD COC(=O)c1ccc(F)cc1S(=O)(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 727357130 MBQCDUBPPYHRQS-SECBINFHSA-N 409.417 -0.708 50 20 HBGD COc1ccc(C(=O)NNS(=O)(=O)c2cccc(S(N)(=O)=O)c2)c(OC)c1 729963974 SWBSUOKMJGZRNR-UHFFFAOYSA-N 415.449 -0.026 50 20 HBGD COc1cc(C(=O)NNC(=O)NCC(C)(C)NS(C)(=O)=O)cc(OC)c1OC 731679613 QHBGCXYVSCDBNS-UHFFFAOYSA-N 418.472 -0.016 50 20 HBGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)C2CCC3(CC2)NC(=O)NC3=O)c1 744998603 UBKHNTNPJVNYSG-UHFFFAOYSA-N 413.390 -0.369 50 20 HBGD O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NNC(=O)C(=O)N1CCCC1 748247168 LWRKIYVALIXUFR-UHFFFAOYSA-N 404.395 -0.597 50 20 HBGD C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NNC(=O)CNC(=O)c1ccco1)C2=O 751206983 OTQOOIYEMAZDTN-ZMZPIMSZSA-N 405.411 -0.343 50 20 HBGD CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)C1=O 752023999 QKQUKZKNZURGJP-KLRAXDNASA-N 417.422 -0.123 50 20 HBGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)CSCC(=O)N1CCOCC1 760440116 XBRYSFPOGRYZNS-UHFFFAOYSA-N 404.489 -0.359 50 20 HBGD Cc1cc(C(=O)NNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)c(C)n1-c1ccccc1 763602641 RLUYFHBBBUGFSR-LBPRGKRZSA-N 421.479 -0.352 50 20 HBGD C[C@@H](C(=O)Nc1cccc(NC(=O)C(=O)NNC(=O)CN(C)C)c1)n1cccn1 764204882 VENQJXPKHAZGPU-LBPRGKRZSA-N 401.427 -0.270 50 20 HBGD CC(C)n1nnnc1-c1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)cc1F 764423961 DXRDVHJZJYCXKJ-ZDUSSCGKSA-N 421.389 -0.439 50 20 HBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)N[C@H](C)CO)cc1 772002976 HSMQJYWGYZUXIY-GHMZBOCLSA-N 401.441 -0.552 50 20 HBGD CC(C)(C)NS(=O)(=O)CC(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772905831 QMKXADZVIBVDPA-UHFFFAOYSA-N 404.876 -0.179 50 20 HBGD O=C(NCCNC(=O)c1cc[nH]n1)NNC(=O)c1csc(N2CCOCC2)n1 779966815 SHPIQJXKBWXEOG-UHFFFAOYSA-N 408.444 -0.923 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)C3=CCOCC3)CC2)cc1 793673886 IJIMKPKDGSKQMY-UHFFFAOYSA-N 422.507 -0.205 50 20 HBGD COc1ccccc1OCC(=O)NNC(=O)NC1CCC2(CC1)NC(=O)NC2=O 804868084 UZWKWOCKVHQQHF-UHFFFAOYSA-N 405.411 -0.075 50 20 HBGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)CN3C(=O)CCC3=O)CC2)cc1 1263758804 KMNIRSAVTIAGMW-UHFFFAOYSA-N 401.467 -0.591 50 20 HBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)c1cn[nH]c1 1778212083 HXKRAUONZPJGBO-YLJYHZDGSA-N 412.255 -0.469 50 20 HBGD C[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CN3CC(=O)NC3=O)CCO2)C1 1783530008 QRDULMQLWQKSAQ-ZUZCIYMTSA-N 417.260 -0.849 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)c1ccccc1)CCO2 1783933720 FNSBLBIJFOTIJU-PZJWPPBQSA-N 418.494 -0.077 50 20 HBGD COc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)nn1C 1784092596 KQYNBNMSSQLKLD-VTPLQMEGSA-N 400.863 -0.378 50 20 HBGD O=C(CCN1CCCC1)N1CC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1785671168 MQTLKYOPZHQTEG-OAQYLSRUSA-N 415.299 -0.704 50 20 HBGD Cc1cnoc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791290690 LOEIHPCDVCCWSH-KKUMJFAQSA-N 407.471 -0.051 50 20 HBGD Cc1cccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)n1 1793112037 UVCHKFNTXPWHNT-UPHUGPLXSA-N 423.278 -0.484 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C(=O)O)ncn1)c1ccc(B(O)O)cc1 1794678302 XSESEQVWCBMJJR-QDMKHBRRSA-N 424.222 -0.580 50 20 HBGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCNC(=O)C1)C2 1800763000 MHTLTHFHEYHOEQ-XJGUIPMBSA-N 402.289 -0.114 50 20 HBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)[C@H](O)CCl 1814870067 HXVXXRXPDMTGPC-LSDHHAIUSA-N 420.662 -0.005 50 20 HBGD O=C(O)C#CC(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815361753 QLBDSGWGSHUXSK-GFCCVEGCSA-N 413.220 -0.863 50 20 HBGD CNC(=O)CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817474486 SUEXWQJATGWJOR-HNNXBMFYSA-N 413.243 -0.469 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)[C@@H]3C[C@H](O)CN3)sc2C1 1822617075 GHVNYTFGKJNXHD-GVXVVHGQSA-N 424.527 -0.849 50 20 HBGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCO2)C1 1835736347 RGQVXSALRWTCJY-PMUMKWKESA-N 418.922 -0.557 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3ccco3)C2)C1 1835929608 YILTXPPLUKWUBX-FQEVSTJZSA-N 414.223 -0.657 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCN(C)CC3)CCO2)C1 1836675734 GKDUUJOYUUHGDZ-APWZRJJASA-N 416.950 -0.292 50 20 HBGD C[C@@H](C(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)n1cnnn1 1836720063 HSWHARQHPDWTLH-WFASDCNBSA-N 414.894 -0.168 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=N)N)C2)C1 1839151684 ARGMRYRTHUFQNF-CABCVRRESA-N 410.302 -0.838 50 20 HBGD CN1CCN(c2ccc(CNC(=O)NNC(=O)CNC(=O)c3ccco3)cn2)CC1 726091100 GKSZKOJTAGHKNP-UHFFFAOYSA-N 415.454 -0.313 50 20 HBGD Cc1cccc(C(=O)NNC(=O)CN2CCN(C(=O)C(=O)N3CCCC3)CC2)c1 744387222 QLQKCJBEKCLONT-UHFFFAOYSA-N 401.467 -0.477 50 20 HBGD Cc1cc(C)cc(OCC(=O)NNC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)c1 746092888 HLWGKDILVJTAJB-UHFFFAOYSA-N 424.435 -0.500 50 20 HBGD CCn1c(=O)c2ccccc2n(CC(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)c1=O 746202995 QLMCXHCUBDHDCM-ZDUSSCGKSA-N 408.480 -0.325 50 20 HBGD O=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)NNC(=O)Cc1ccncc1 747515279 MSUYDAGJLPJHDJ-UHFFFAOYSA-N 420.447 -0.089 50 20 HBGD COc1ccc(NC(=O)NNC(=O)[C@@H]2COCCO2)cc1S(=O)(=O)NC1CC1 756683490 RFGZNBRCHQDRFO-ZDUSSCGKSA-N 414.440 -0.296 50 20 HBGD NC(=O)c1ccc(NNC(=O)c2ccc(S(=O)(=O)N=c3cc[nH]cc3)cc2)nn1 757403848 GRPXONQJFHXWEA-UHFFFAOYSA-N 413.419 -0.050 50 20 HBGD COCC(=O)NNC(=O)C(=O)Nc1ncn(Cc2cccc(Br)c2)n1 764303926 UDZAACZGUMNQAE-UHFFFAOYSA-N 411.216 -0.179 50 20 HBGD COc1ccc(Br)c(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)c1 764424326 IHJYBNXCWNUKPY-LLVKDONJSA-N 402.201 -0.041 50 20 HBGD C[C@@H](c1cccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)c1)N1CCOCC1 764424701 KLHCNTNHTIOVRC-XJKSGUPXSA-N 406.439 -0.419 50 20 HBGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NNC(=O)C(C)(C)O)o1 768259275 IXTVLTNBGMTOPL-JTQLQIEISA-N 417.440 -0.472 50 20 HBGD CCNS(=O)(=O)[C@H]1CCN(C(=O)NNC(=O)CNC(=O)c2cccs2)C1 770777677 YBAZRKMUVSGSIH-JTQLQIEISA-N 403.486 -0.768 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C2(S(C)(=O)=O)CC2)cc1 792017714 MWUZYQGOPKCOGX-UHFFFAOYSA-N 403.482 -0.660 50 20 HBGD CN1CCN(C(=O)NNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 807380415 ILBGVMMANZAZLB-UHFFFAOYSA-N 408.484 -0.507 50 20 HBGD C[C@@H]1CN(CCC(=O)NNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C[C@@H](C)O1 912920207 YEGDFPAWDNLBPD-ZIAGYGMSSA-N 423.495 -0.517 50 20 HBGD O=C(CCC(=O)N1CCC(c2ccccc2)=N1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919885502 PNJUYYSIZNAIGI-AWEZNQCLSA-N 421.479 -0.079 50 20 HBGD O=C(NNC(=S)NCC1CCC1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 1118765310 XWVCIMJGMFGQAO-LLVKDONJSA-N 401.514 -0.553 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)C1CCC(CO)CC1)CCO2 1783933523 OXAYJTLBXFBMJK-BPZDKFOGSA-N 424.542 -0.012 50 20 HBGD CC(C)[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1784533785 NYTQOCNKJUVNIP-DKIMLUQUSA-N 420.340 -0.086 50 20 HBGD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)on1 1786067584 JWCBQUJSARQXEC-ZVZYQTTQSA-N 413.239 -0.430 50 20 HBGD O=C(CN1CCOCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1786725119 PXDJJGLFVXPCCY-ABHRYQDASA-N 422.295 -0.011 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CC3(F)F)[C@H]2C1 1788128809 SPLBIXMBLIFZEC-HJPIBITLSA-N 423.420 -0.066 50 20 HBGD COC(=O)CSCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1793590143 UTBHQIRSRIZNLO-MUJYYYPQSA-N 420.296 -0.476 50 20 HBGD CN[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)CBr)C2)C(=O)O 1795641560 RZHCYENIAIAJIE-YGEZULPYSA-N 420.304 -0.330 50 20 HBGD O=C(N[C@@H]1CCc2nc(NC(=O)c3nc[nH]n3)sc2C1)c1cccc(B(O)O)c1 1816025542 HRYFEUJOJFOOHB-LLVKDONJSA-N 412.240 -0.519 50 20 HBGD NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817476878 FSMHWVXLUCNHQK-OAHLLOKOSA-N 413.243 -0.339 50 20 HBGD CCOC(CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2)OCC 1830738790 SPPLTQKDFCHDDR-KSSFIOAISA-N 422.906 -0.168 50 20 HBGD Cc1nn[nH]c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839199619 RBVJAOWRCIKKLT-RISCZKNCSA-N 420.239 -0.126 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CNC(=O)C1)CCO2 1839870587 OOMWBQWEJOSPIX-KBXCAEBGSA-N 413.547 -0.570 50 20 HBGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCNC(=O)C1)CCO2 1840231889 IWCGUNOORFPHMM-QWQRMKEZSA-N 401.891 -0.014 50 20 HBGD O=C1Cc2cccc(C(=O)N3CC4(CCCN4C(=O)c4ccc(B(O)O)cc4)C3)c2N1 1843012097 DBXVSLGDXJUEMC-UHFFFAOYSA-N 419.246 -0.008 50 20 HBGD C[C@H](CBr)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)N1CCOCC1 1847498921 RTDOLWPHZXDGMO-OSFYFWSMSA-N 404.305 -0.130 50 20 HBGD COC(=O)CSCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(B(O)O)c1 1847814659 CIDRJHNOAXXIEH-GJZGRUSLSA-N 406.269 -0.912 50 20 HBGD O=C(CN1CCCC1=O)NNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 726716482 DNQNZSJYSFQHEH-GFCCVEGCSA-N 402.407 -0.420 50 20 HBGD O=C(NNC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1)c1ccc2c(c1)OCCO2 727765537 JKLDXCDPLHIPAH-HNNXBMFYSA-N 404.404 -0.051 50 20 HBGD CC(C)(C)C(=O)NNC(=O)CN1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 744387937 ZLGHEIPISPBODD-UHFFFAOYSA-N 407.496 -0.053 50 20 HBGD COCCNC(=O)Cn1cc(NC(=O)NNC(=O)COc2ccc(C#N)cc2)cn1 756836990 DCJUEPYVWKNHAR-UHFFFAOYSA-N 415.410 -0.251 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cccn(Cc2ccccc2)c1=O 757654141 AIIDMOSDFWUBQK-GFCCVEGCSA-N 407.452 -0.013 50 20 HBGD C[C@H](CNC(=O)C(=O)NNC(=O)c1cc2c(s1)CCCCC2)S(N)(=O)=O 763962142 MAGFTLDBTATXBS-SECBINFHSA-N 402.498 -0.429 50 20 HBGD COc1ccc(OC(C)C)c(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 764233276 UGJHMKMJYYVJOZ-SNVBAGLBSA-N 416.456 -0.494 50 20 HBGD COc1ccc(F)cc1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765728377 OKWAYMXPIGOESV-UHFFFAOYSA-N 404.358 -0.957 50 20 HBGD O=C(Cn1nnc2ccccc2c1=O)NNC(=O)c1csc(N2CCOCC2)n1 768987749 HSAQBVVHAPBDCI-UHFFFAOYSA-N 415.435 -0.454 50 20 HBGD CN(NC(=O)Cn1cnc([N+](=O)[O-])n1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 783703833 HBPJUZTTZRVRBN-UHFFFAOYSA-N 412.407 -0.178 50 20 HBGD COC(=O)CCOc1ccc(S(=O)(=O)NNC(=O)[C@H]2CCc3nncn3C2)cc1 793450883 PARHVWPQIYBDFK-LBPRGKRZSA-N 423.451 -0.208 50 20 HBGD CNS(=O)(=O)N1CCC(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)CC1 796434810 QBZISRXJZQLBCD-UHFFFAOYSA-N 406.468 -0.191 50 20 HBGD CN1CCN(C(=O)NNC(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN23)CC1 807378659 IAQKUSXZBQLVOQ-UHFFFAOYSA-N 424.508 -0.100 50 20 HBGD CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NNC(=O)CNC(=O)c1cccnc1 810572725 VUTYTEWQLHXULT-HNNXBMFYSA-N 415.454 -0.545 50 20 HBGD COc1ccc(NCC(=O)NNC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)cc1 862486051 VDIMGCKUXUUGGH-UHFFFAOYSA-N 412.406 -0.486 50 20 HBGD O=C(CCCNC(=O)NC1CCCCC1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919889742 SIEDBXTTWHYMLX-ZDUSSCGKSA-N 403.505 -0.084 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cc(F)c[nH]3)C2)C1 1783629666 OVEYIYZZDJPJPS-LJQANCHMSA-N 401.203 -0.409 50 20 HBGD C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1)C1(O)CCC1 1783933310 UPMLLAHGRSEZIK-DNVCBOLYSA-N 410.515 -0.260 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)/C=C/c3cnc[nH]3)C2)C1 1784312446 QOXWWWBCELPPMD-JUGMSXHOSA-N 404.471 -0.374 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnnc(Cl)c1 1794219010 GCWFIWHMCBOGGH-FVCICTRLSA-N 424.889 -0.294 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCCS1(=O)=O 1801519943 ABNGAUCDJIHMFE-LXTVHRRPSA-N 414.528 -0.425 50 20 HBGD C[C@H](NC=O)C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1808388339 JETQLZFKXMJZQB-QOKNQOGYSA-N 418.498 -0.405 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)[C@@H]3CCC(=O)N3)sc2C1 1814062149 WTMYSDIIUJUUIL-JQWIXIFHSA-N 422.511 -0.293 50 20 HBGD O=C([C@H](O)CCl)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@H]3C=CS[C@H]31)CCO2 1839694702 RIOTWYOOVQASQK-LYUDMSCLSA-N 402.900 -0.082 50 20 HBGD CN(C)c1ccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)nc1 1843010662 PKNHQVGNLJSIHE-UHFFFAOYSA-N 408.267 -0.042 50 20 HBGD CN(C)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013667 WXMIJUGJLTXDHG-UHFFFAOYSA-N 408.267 -0.042 50 20 HBGD CC[C@@H](Br)C(=O)N1CCCC12CN(C(=O)CN(C)C(=O)C(=O)O)C2 1846072137 JMFWEOATBWTLME-SNVBAGLBSA-N 404.261 -0.094 50 20 HBGD Cc1ccc(NCC(=O)NNC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 104747486 NHAXRSZTGIKTFB-CQSZACIVSA-N 421.479 -0.280 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1 728510324 WPUVSOFLZIQFGS-JTQLQIEISA-N 420.513 -0.082 50 20 HBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@@H]1CCCN(C(=O)COc2ccccc2)C1 741175452 LGOHFAVZKRAGMM-CABCVRRESA-N 423.491 -0.114 50 20 HBGD C[C@H](C(=O)OCC(=O)NNC(=O)c1cccs1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 745442115 VUQLUDZWDDSHGZ-BEDWUZKKSA-N 421.431 -0.397 50 20 HBGD Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 758037007 XOVQQKJDHSCYNT-GFCCVEGCSA-N 420.513 -0.943 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(F)cc1OCC1CC1 764229671 BMQLSMOVGGBYEP-VIFPVBQESA-N 416.431 -0.362 50 20 HBGD Cc1c(Cl)cc(F)c(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1F 764229922 FEOQPTPZKTVBPZ-ZCFIWIBFSA-N 412.802 -0.050 50 20 HBGD COc1ccc(C(=O)NNC(=O)CN2CCN(CC(=O)NC3CC3)CC2)cc1OC 780238071 NVOMOOWCDOPLSF-UHFFFAOYSA-N 419.482 -0.639 50 20 HBGD CN(NC(=O)N1CCS(=O)(=O)CC1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 788678046 KOBJCTWJHQIYEQ-UHFFFAOYSA-N 419.504 -0.054 50 20 HBGD Cn1cc(S(=O)(=O)N2CCC(NC(=O)NNc3nc4ccccn4n3)CC2)cn1 790382308 AVSYVCQZKDFXEK-UHFFFAOYSA-N 419.471 -0.058 50 20 HBGD COCCN1C(=O)/C(=C/NNC(=O)CSc2nc(C)cc(C)n2)C(=O)NC1=S 920978146 ZVCPMBUTYSHKBQ-YRNVUSSQSA-N 424.508 -0.420 50 20 HBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NC[C@H]1CCCS1(=O)=O 1261281190 LBISSNATMNKJGG-LLVKDONJSA-N 417.513 -0.191 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccc(O)nn3)C2)C1 1782679982 MYYRXQCTUAJCOT-SJKOYZFVSA-N 414.846 -0.355 50 20 HBGD CCn1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)n1 1783936760 SZCXZTDAQXUPQL-LJQANCHMSA-N 406.487 -0.281 50 20 HBGD CC(=O)C[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1791217199 RUWFCBXKNWEZSF-FDARSICLSA-N 416.283 -0.425 50 20 HBGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(Cl)Cl)[C@H]2C1 1791298083 ACMCZOYIMJDEQK-AVWBDOJWSA-N 412.270 -0.166 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2)c1cc(O)nc(O)n1 1796358028 XQDRWWUIOFTIPB-SSDHTEECSA-N 419.207 -0.219 50 20 HBGD C[C@H](NC=O)C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1808361768 PPHMKJSCFWDKCH-POZUXBRTSA-N 424.266 -0.785 50 20 HBGD O=C1CC[C@H](C(=O)N2CCC3(CCCN(C(=O)c4ccc(B(O)O)cc4)C3)CC2)N1 1809968212 NSCSNBYKPCFYEQ-QGZVFWFLSA-N 413.283 -0.510 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)C(=O)N(C)C)[C@@H]1c1cccnc1 1813071420 PWTNXPLBCPCOAM-MAUKXSAKSA-N 418.498 -0.451 50 20 HBGD CN(C)C(=O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1826737450 BDBHIHAXZMQFCL-GOSISDBHSA-N 415.299 -0.312 50 20 HBGD O=C(NC1CCN(C2CCN(C(=O)C#CC3CC3)CC2)CC1)c1cccc(B(O)O)c1 1834800062 RZWUJKNJUGAZPT-UHFFFAOYSA-N 423.322 -0.035 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1835638104 ZPBZBZWRNFDFHS-CXAGYDPISA-N 401.895 -0.700 50 20 HBGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)n[nH]3)CCO2)C1 1835859052 NEENYUBHPJWPLU-MEBBXXQBSA-N 417.260 -0.031 50 20 HBGD CC(=O)O[C@H](C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1)C(C)C 1843014128 APYQDXUQNLKIJI-KRWDZBQOSA-N 402.256 -0.229 50 20 HBGD O=C(NNS(=O)(=O)c1ccc2c(c1)C(=O)NC2=O)c1ccc2c(c1)OCCO2 111136138 HFDUXQSSFNUMGX-UHFFFAOYSA-N 403.372 -0.035 50 20 HBGD Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 728384183 IYQLNOPCOAISHJ-KZULUSFZSA-N 422.463 -0.656 50 20 HBGD O=C(NNC(=O)N1CCOCC1)c1sccc1S(=O)(=O)N1CCOCC1 745991847 HEDXUQRWBNUWCI-UHFFFAOYSA-N 404.470 -0.544 50 20 HBGD NC(=O)c1ncn2c(C(=O)NNC(=O)C(=O)N3CCCC3)cc(-c3ccco3)nc12 748240697 IAONAPWSGQLGCP-UHFFFAOYSA-N 411.378 -0.528 50 20 HBGD C#CCNC(=S)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 758242219 LLMIXSAHMYVPHM-UHFFFAOYSA-N 409.537 -0.570 50 20 HBGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 760440221 SXBPEJKOJJVCIC-GVARAGBVSA-N 406.439 -0.144 50 20 HBGD CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNC(=O)c1cccnc1)CC2 763492471 ZCDFJUJQUDKRDJ-UHFFFAOYSA-N 417.447 -0.270 50 20 HBGD COCCOCCS(=O)(=O)NNC(=O)c1sc(N2CCOCC2)nc1C 768849087 RAWRHTGZINPPQV-UHFFFAOYSA-N 408.502 -0.485 50 20 HBGD COCCNC(=O)Cn1cc(NC(=O)NNc2ccc(-n3ccnc3)nn2)cn1 806325327 DGJROSWXYJKDHT-UHFFFAOYSA-N 400.403 -0.230 50 20 HBGD CN(C)S(=O)(=O)n1ccnc1C=NNC(=O)NCCNC(=O)OC(C)(C)C 814851780 UPLMRRRBAYAPET-UHFFFAOYSA-N 403.465 -0.305 50 20 HBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)c1cnn[nH]1 918280085 GTTLUNVWEFGGAU-UHFFFAOYSA-N 408.440 -0.781 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3cnoc3)CCO2)C1 1779029840 AFYRZCPPJDRUQW-SFHVURJKSA-N 400.395 -0.570 50 20 HBGD Cc1n[nH]c(C)c1C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1779391606 UZWGEMNOECFNIM-FQEVSTJZSA-N 412.255 -0.536 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)COc3ccc(O)nn3)C2)C1 1782679979 MYYRXQCTUAJCOT-PXAZEXFGSA-N 414.846 -0.355 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1782963303 ZVRKUCWSOBZIRM-ZENOOKHLSA-N 408.904 -0.353 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)C(C)(C)C)[C@H]2C1 1784030366 RHYBFHQZGCNFDP-YRBFXIGRSA-N 412.531 -0.254 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@]3(F)Cl)C2)C1 1784068325 WYCRSTKJCNRANW-JCGIZDLHSA-N 410.638 -0.266 50 20 HBGD C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)n1cccn1 1784526724 SVIWNMKXWAGCSD-HNAYVOBHSA-N 406.487 -0.353 50 20 HBGD CC(=O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786983397 OSMYNTDIHDDQRO-SZMVWBNQSA-N 416.283 -0.425 50 20 HBGD Cc1noc(C)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795737417 FMWJILQDUUOAAH-JLVBRIDZSA-N 413.239 -0.512 50 20 HBGD C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795738706 BXKYHOAPIKFKQV-MVJTYMMSSA-N 416.283 -0.857 50 20 HBGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)N1CCOCC1 1797808064 FNGCAWHDMAWNFB-GUYIQFIESA-N 420.304 -0.990 50 20 HBGD N=C1NCCN1CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Br 1799346690 WIZHBNUEUCGBSE-RBLKWDMZSA-N 406.256 -0.894 50 20 HBGD Nc1n[nH]c(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](F)Br)n1 1799349766 KKGBILFQBLOICX-VVJJBPBLSA-N 419.255 -0.400 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(Cl)nc1)C2 1801009218 SHFKETQPYIROHL-YWVIFJGQSA-N 424.889 -0.294 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COc1cccnn1)c1cccc(B(O)O)c1 1802935877 SZHZSABSWXQLIJ-BJWYYQGGSA-N 410.239 -0.513 50 20 HBGD O=C1NC(=O)[C@H](CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H](O)CCl)n[nH]2)N1 1814868167 WUUCKLLDUSJKAX-AXFHLTTASA-N 412.834 -0.400 50 20 HBGD C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830733458 MYHIUQPAIYJRPR-KBXCAEBGSA-N 418.874 -0.448 50 20 HBGD O=C(CC1CCOCC1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1835415927 KYHQYAYIERRYIX-QAPCUYQASA-N 404.891 -0.141 50 20 HBGD C[C@@H](CBr)C(=O)N1CCCC12CN(C(=O)[C@@H](O)N1CCOCC1)C2 1841287950 PQLRFEHNFMPLOY-GXTWGEPZSA-N 404.305 -0.129 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2nc3ncccn3n2)C1 1843719072 YNXCPJCFVMWZNM-UHFFFAOYSA-N 421.421 -0.746 50 20 HBGD O=C(COCc1ccccc1)NNC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 739018910 FRWXKFHDUFBABE-GOSISDBHSA-N 405.499 -0.060 50 20 HBGD CSCC[C@H](NC(=O)c1ccccc1)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 758042749 AHZLCMDCXSECBB-AAEUAGOBSA-N 416.525 -0.377 50 20 HBGD Cc1c(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cnn1CCO[C@@H]1CCCCO1 758047289 KOVAKMOWWZILMP-SMDDNHRTSA-N 417.488 -0.567 50 20 HBGD COCCCn1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)n1 763570367 DQOLMVQPNPJPJN-CQSZACIVSA-N 403.395 -0.155 50 20 HBGD COc1ncnc(N(C)C)c1NC(=O)C(=O)NNC(=O)c1c(C)nc2ccccn12 763630132 WSZDFEFUFPCNJB-UHFFFAOYSA-N 412.410 -0.093 50 20 HBGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)n1 763893747 YLEPTYYUTSDWRA-UHFFFAOYSA-N 413.438 -0.778 50 20 HBGD CC(C)(C)OC(=O)NCC(=O)NNC(=S)NCc1ccc(S(N)(=O)=O)cc1 777918226 KQFZGGGCKFQTMG-UHFFFAOYSA-N 417.513 -0.146 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CC(=O)NCC(F)(F)F)c1 779640533 FNRGVVIDTQIMME-UHFFFAOYSA-N 410.374 -0.234 50 20 HBGD N#Cc1cccc(C(=O)NNC(=O)CN2CCC[C@H](N3CCCS3(=O)=O)C2)c1 789374287 KQJBGICYBDSIIZ-INIZCTEOSA-N 405.480 -0.181 50 20 HBGD CCOC(=O)c1[nH]c(C)c(S(=O)(=O)NNC(=O)[C@@H]2CCc3nncn3C2)c1C 793449422 BWKZXCAUJRPJEI-LLVKDONJSA-N 410.456 -0.028 50 20 HBGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1cccc(N2CCC2=O)c1 794886011 DCHPNUUFCUMNCA-UHFFFAOYSA-N 416.463 -0.152 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cncc(Br)c1 795313809 IMJFSSFHBKZFOR-ZCFIWIBFSA-N 401.264 -0.909 50 20 HBGD Cn1cc(C(=O)NNS(=O)(=O)c2cc(Br)cc(C(N)=O)c2)cn1 799531442 GHYXICMCORAYEY-UHFFFAOYSA-N 402.230 -0.095 50 20 HBGD CN(CC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1)S(=O)(=O)c1cccnc1 916144528 CHMJQRKHNVBQMP-UHFFFAOYSA-N 416.423 -0.861 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCCCn3cncn3)nc2)CC1 916376097 BAMPYEPJVIIKAT-UHFFFAOYSA-N 423.503 -0.674 50 20 HBGD CON(C)S(=O)(=O)c1ccc(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)cc1 1317798979 XIXMAUMEQNJNIN-CYBMUJFWSA-N 405.498 -0.026 50 20 HBGD O=C(NNC(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1)N[C@H]1CCS(=O)(=O)C1 1318701350 JAZHORHROONCIB-KBPBESRZSA-N 409.468 -0.549 50 20 HBGD CC(C)S(=O)(=O)CCNC(=O)NNC(=O)c1csc(N2CCOCC2)n1 1325271463 UGAXXYJIQULOSO-UHFFFAOYSA-N 405.502 -0.253 50 20 HBGD Nc1n[nH]c(CCC(=O)N2CC[C@]3(CN(C(=O)CCBr)CCO3)C2)n1 1778847231 JZCDVMKJXAKGIW-OAHLLOKOSA-N 415.292 -0.066 50 20 HBGD Cc1cc(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)ccn1 1779516642 JXIOXKYUANTEJI-OAQYLSRUSA-N 409.251 -0.173 50 20 HBGD N=C1NCCN1CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCBr 1795112521 KHJGEOZYROKXAS-GNXNZQSNSA-N 402.293 -0.799 50 20 HBGD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1)C1(O)CCC1 1795732621 CSCTTZOCVHUKMS-SCNOPHJPSA-N 416.283 -0.879 50 20 HBGD CC(=O)C[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795736933 RKJQXWOWHOOHAZ-PTOXDTDZSA-N 402.256 -0.815 50 20 HBGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@](C)(O)CC(=O)O)C2 1800763119 OVIZULWZSAHNTK-LGDVELKSSA-N 421.288 -0.025 50 20 HBGD CNC(=O)CC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1 1815145036 RSSVTEXCJQZPAD-CYBMUJFWSA-N 407.475 -0.089 50 20 HBGD O=C(CN1C(=O)C=CC1=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](O)CCl)[nH]n1 1822526083 CKXCSMYQSFHROU-NEPJUHHUSA-N 409.830 -0.074 50 20 HBGD Cc1nccn1[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830737319 HANHKZMRDMMQJB-SIIHOXLZSA-N 414.890 -0.191 50 20 HBGD Cc1[nH]nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1F 1833667335 PCWVKXNGXPQIOI-BDJLRTHQSA-N 404.826 -0.473 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nccn3C)CCO2)C1 1834401054 ISJWGQDQUJGXDE-GUYCJALGSA-N 400.863 -0.256 50 20 HBGD C=CC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939825 JSVUWUVFVFKFLY-HRAATJIYSA-N 416.283 -0.351 50 20 HBGD O=C(c1ncccc1F)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1838244471 AGILFEYRTXAMAS-CXAGYDPISA-N 401.822 -0.110 50 20 HBGD CCOC(=O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843015674 UOKXWSAPCUKUCQ-UHFFFAOYSA-N 402.256 -0.227 50 20 HBGD CCOC(=O)C(C)(C)C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1847042283 TVFGWCVKFQBPTC-UHFFFAOYSA-N 402.256 -0.227 50 20 HBGD O=C(Cc1cn2c(nc1=O)SCC2)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847565441 RACISBGAIHCTKQ-AVGNSLFASA-N 412.899 -0.307 50 20 HBGD O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)[C@@H]1CCS(=O)(=O)C1 15639644 MCLXVVIANKPPHV-VXGBXAGGSA-N 423.447 -0.607 50 20 HBGD Cn1nc(SCC(=O)NN=Cc2ccc(N3CCOCC3)cc2)c(=O)n(C)c1=O 730568770 AOLXNIOMLFTJQJ-UHFFFAOYSA-N 418.479 -0.442 50 20 HBGD COCCN1C(=O)c2ccc(C(=O)NNC(=O)c3cnn(C)c3)cc2S1(=O)=O 735443877 HKSXHDITSOMTLO-UHFFFAOYSA-N 407.408 -0.714 50 20 HBGD COCC(=O)N(C)CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 758042912 FQQOWANAZUDUEQ-UHFFFAOYSA-N 412.468 -0.663 50 20 HBGD O=C(Cn1cc([N+](=O)[O-])ccc1=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772181748 BNCHIEWHDKATEG-UHFFFAOYSA-N 407.770 -0.126 50 20 HBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 786360886 NXZHSAPICXUUIP-DAEOAZLPSA-N 409.439 -0.336 50 20 HBGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@H]2COCCN2CC(F)F)n1 786951772 RRHGUOFBIGYAKK-SNVBAGLBSA-N 406.411 -0.349 50 20 HBGD Cc1ccc(-c2ccnn2C)cc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 799259417 WDDAQSNRUAPONH-NSHDSACASA-N 422.467 -0.581 50 20 HBGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNC(=O)N=c2cc[nH]cc2)[C@@H](C)O)cc1 802030686 NKCUHUIPPDXYJD-IUODEOHRSA-N 407.452 -0.307 50 20 HBGD COc1ccc(NC(=O)NNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1 802055948 XTBZNIQEKFISFU-AAEUAGOBSA-N 410.452 -0.117 50 20 HBGD CC(C)S(=O)(=O)c1ccccc1C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1317993503 KBGDHYAOHBAHLS-LLVKDONJSA-N 403.482 0.000 50 20 HBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(OC)nn1C 1794348434 LZCGUQLWRCKLAC-NWJSVONSSA-N 400.863 -0.114 50 20 HBGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCOCC1 1795438605 JYKJYPDSJTUAHD-AYDFFVQHSA-N 418.332 -0.061 50 20 HBGD CC(=O)NCC(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809973936 MMPRKALBYIZSAH-UHFFFAOYSA-N 401.272 -0.653 50 20 HBGD CN[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2)C(=O)O 1830358460 BZODWJHBHRTUFC-FZKQIMNGSA-N 419.906 -0.230 50 20 HBGD CC(C)(C)OC(=O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830726476 QKJXUESQLWUAFX-UGSOOPFHSA-N 420.890 -0.226 50 20 HBGD O=C(c1cc(O)ccc1O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830732786 AQIBDNMKMZLKIW-YJBOKZPZSA-N 414.842 -0.233 50 20 HBGD O=C(NC1CCN(C2CCN(C(=O)c3ccnnc3O)CC2)CC1)[C@@H](O)CCl 1833311938 GLKADXFKZQRWFM-HNNXBMFYSA-N 411.890 -0.033 50 20 HBGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1837358111 QKWITWVESLSTIN-YVEFUNNKSA-N 400.863 -0.274 50 20 HBGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1)N1CCN(C)CC1 1839102979 ZZSGGXDNPZHIOJ-RVKKMQEKSA-N 420.913 -0.387 50 20 HBGD CC(=O)N(C)CCC(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1841836734 ILWCADFZBRJRIQ-UHFFFAOYSA-N 402.455 -0.630 50 20 HBGD Cc1nc2ccccn2c1C(=O)NNC(=O)CCNS(=O)(=O)c1cn(C)c(C)n1 725880035 UNBBEIRPIFGOCW-UHFFFAOYSA-N 419.467 -0.186 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccccc1I 729274875 GJQFQZHHISNEIU-ZETCQYMHSA-N 411.221 -0.010 50 20 HBGD CCCN1C(=O)C(=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)c2ccccc21 730568948 HOELGEPKUABKKY-UHFFFAOYSA-N 416.463 -0.152 50 20 HBGD COc1cc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)cc2c1OCO2 730570842 MEVOWTYRPBONIN-UHFFFAOYSA-N 407.408 -0.541 50 20 HBGD O=C(Cc1cn2ccccc2n1)NNC(=O)N[C@H]1CCN(CCN2CCOCC2)C1 746765354 IPDYUROJLWMTEV-INIZCTEOSA-N 415.498 -0.386 50 20 HBGD NS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)cc1 751278836 CAPXCNZXUCWEOB-UHFFFAOYSA-N 418.478 -0.865 50 20 HBGD C[C@H]1CN(C)CC1=NNC(=O)[C@H](CC(=O)NN=C1CN(C)C[C@H]1C)N1CCOCC1 752166096 PUXUFEJGIQJGFX-VKJFTORMSA-N 421.546 -0.815 50 20 HBGD C[C@H]1CN(CCC(=O)NNC(=O)c2ccc(CNS(C)(=O)=O)o2)C[C@@H](C)O1 754013361 BLZVNIMDTUQLJG-TXEJJXNPSA-N 402.473 -0.411 50 20 HBGD COc1ccc(NC(=O)NNC(=O)[C@H]2COCCO2)cc1S(=O)(=O)NC1CC1 756683426 RFGZNBRCHQDRFO-CYBMUJFWSA-N 414.440 -0.296 50 20 HBGD CN(C)CCn1cc(NC(=O)C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])cn1 763808325 KVKJNVJGZASSQX-UHFFFAOYSA-N 419.398 -0.482 50 20 HBGD CC(C)CC(=O)NNC(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 763886324 STQBUXPDHYXEMO-INIZCTEOSA-N 418.450 -0.167 50 20 HBGD Cn1c(=O)n(C)c2cc(NC(=O)C(=O)NNC(=O)[C@H]3Cc4ccccc4O3)ccc21 764167018 HJLRJLOPASWRGE-MRXNPFEDSA-N 409.402 -0.033 50 20 HBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 764210788 HVWARAFVNQDCQL-STZFKDTASA-N 424.483 -0.853 50 20 HBGD CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)CO)cc1 764420659 DQYKYGJFLKBRNL-UHFFFAOYSA-N 420.447 -0.415 50 20 HBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)n1 764565345 CVQLFDZTWZVWEM-ZDUSSCGKSA-N 404.452 -0.114 50 20 HBGD CCN1CCO[C@H](C(=O)NNC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)C1 766648316 JGZGUGOTYADVOT-IBGZPJMESA-N 403.527 -0.019 50 20 HBGD CC(C)(O)C(=O)NNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 768244566 LSQPNUOAAJTJEV-LBPRGKRZSA-N 400.413 -0.334 50 20 HBGD O=C(CN1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)NNC(=O)c1cccs1 779621986 DHDITODTKBKFLR-ZDUSSCGKSA-N 416.525 -0.365 50 20 HBGD Nc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)NNC(=O)c1ccccc1 800235882 ZVGIVNVXNYPCPA-UHFFFAOYSA-N 406.420 -0.449 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NNC(=O)[C@H]3CCC(=O)N3)C2)cc1 913484538 WCPCVFXNHRNCIU-UKRRQHHQSA-N 408.480 -0.178 50 20 HBGD C[C@@H](NC(=O)NNC(=O)c1csc(N2CCOCC2)n1)C(=O)NCC(F)(F)F 1115879086 ZFCIYQCBIAWIJQ-MRVPVSSYSA-N 424.405 -0.009 50 20 HBGD COCCO[C@@H]1COCC[C@H]1NC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 1320740117 SNZMFIAHFUUEHP-HUUCEWRRSA-N 415.468 -0.145 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3cnco3)CCO2)C1 1779029484 STSJJCUJOWLBPT-GOSISDBHSA-N 400.395 -0.570 50 20 HBGD C[C@H](CBr)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1781042383 WYJHMXLGCMFWGG-DVZHBHJUSA-N 404.305 -0.430 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn4cccnc4n3)C[C@@H]21)[C@H](O)CCl 1784092607 NNMSUGZHLHBFBH-VIRABCJISA-N 407.858 -0.078 50 20 HBGD COC(OC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1793167170 KNUDQYZIOWAYLK-CQFQAWKHSA-N 421.454 -0.671 50 20 HBGD CC(=O)N[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)C(C)(C)C 1793190294 IASLOONIIRTVPO-KHMAMNHCSA-N 403.907 -0.274 50 20 HBGD CCc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)n[nH]1 1795959960 ORVLTFMGDNRSGE-IVWMJMPLSA-N 406.487 -0.452 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@]1(C)CC1(F)F)C2 1801014122 GYKMFOQLDTYXAJ-RBNVPPIJSA-N 402.442 -0.006 50 20 HBGD NC(=O)CC[C@H](N)C(=O)N1CC[C@H](CNC(=O)[C@H](O)CCl)[C@H]1c1cccnc1 1803138224 IBNMXOMKFQISRE-HLPPOEQASA-N 411.890 -0.720 50 20 HBGD O=C(COCCO)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1822984985 REHDAXIFXYUPIJ-ZDUSSCGKSA-N 419.268 -0.942 50 20 HBGD O=C(c1cc(O)nc(O)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830722439 BVGRMXBZBIJSKC-SJKOYZFVSA-N 415.830 -0.838 50 20 HBGD CNC(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1 1831265919 KTYLMXIHMFVSQQ-LRDDRELGSA-N 420.304 -0.390 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1 1837275072 DGDRYYOIBHAFCV-SJKOYZFVSA-N 414.894 -0.207 50 20 HBGD COC(=O)[C@H]1CC[C@@H](C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)C1 1843012893 QRSIRCPIAWQIQQ-CVEARBPZSA-N 414.267 -0.227 50 20 HBGD COc1cc(OC)cc(C(=O)NCC(=O)NNC(=O)CNC(=O)c2ccco2)c1 725902727 STUCJLGVSLMKBX-UHFFFAOYSA-N 404.379 -0.396 50 20 HBGD Cc1ccc(NCC(=O)NNC(=O)CNS(=O)(=O)c2cn(C)c(C)n2)c(C)c1 728205974 NWWRGKGLDQOYDU-UHFFFAOYSA-N 408.484 -0.117 50 20 HBGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1cccc(OCC(=O)O)c1 730569129 OUVGSZFIRBTZKZ-UHFFFAOYSA-N 421.435 -0.425 50 20 HBGD COc1ccc(C(=O)NNC(=O)C(=O)N2CCCC2)cc1S(=O)(=O)NC1CC1 748247187 MHNIOEULNNIHPR-UHFFFAOYSA-N 410.452 -0.481 50 20 HBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 748527587 WSMIJRBJHAYBIS-LLVKDONJSA-N 419.467 -0.175 50 20 HBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)Cn1cc([N+](=O)[O-])ccc1=O 748697577 OLZHDAVCZGFWEK-UHFFFAOYSA-N 422.423 -0.181 50 20 HBGD CCOC(=O)C(C)(C)n1cc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cn1 757720793 OOTKXYQPEHPXAN-SNVBAGLBSA-N 401.445 -0.231 50 20 HBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1 764213276 VGEBVELSVMOYGV-UHFFFAOYSA-N 411.422 -0.808 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(N(C)C)c(Cl)c1 764226667 KCANWLYIFHTDDG-MRVPVSSYSA-N 405.864 -0.570 50 20 HBGD CC(=O)Nc1cc(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)ccc1O 765037250 XSGWTQIKMVHTFV-UHFFFAOYSA-N 417.407 -0.050 50 20 HBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)C1(O)CCSCC1 765176880 OWFLTZKPESEFDX-UHFFFAOYSA-N 406.508 -0.150 50 20 HBGD Cc1cc(C(=O)NNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)n[nH]1 765588495 RGPJJBYGCSWYQD-UHFFFAOYSA-N 411.415 -0.047 50 20 HBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1sccc1S(=O)(=O)N1CCOCC1 771967550 IOISJHLABGHTGG-SNVBAGLBSA-N 419.481 -0.128 50 20 HBGD CCOc1cnc(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)cn1 779380392 UJOBYDQJYYXELU-UHFFFAOYSA-N 421.483 -0.037 50 20 HBGD CC(C)(O)CN1CCC(=NNC(=O)C(=O)NN=C2CCN(CC(C)(C)O)CC2)CC1 814212996 SJMGQAXCLZDIGY-UHFFFAOYSA-N 424.546 -0.336 50 20 HBGD COc1ccc(CCC(=O)NNC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)cc1 919836711 CDOBFMYFPBJPSF-UHFFFAOYSA-N 413.434 -0.022 50 20 HBGD CNS(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 1115816880 KMIAIVIQJVTOKM-QMMMGPOBSA-N 409.873 -0.556 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783937568 UTGFIVVVGXNHSO-LRDDRELGSA-N 419.320 -0.027 50 20 HBGD CC(=O)NCC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1784640401 KYWNBOUZKSWLLI-AJNGGQMLSA-N 403.907 -0.272 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCOCC3)[C@H]2C1 1786726553 KRYDGQOSBZPBIQ-JONQDZQNSA-N 403.907 -0.448 50 20 HBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc[nH]n3)C[C@@H]21 1788611499 GGFNFLNGDMSKNP-PJODQICGSA-N 413.438 -0.685 50 20 HBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccno1)C2 1797749802 VCFKEQGHIWZACK-QHBPRCKVSA-N 400.395 -0.810 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CNC(=O)C1)C2 1798443015 MXXWBGLXDVAUHH-FVCCEPFGSA-N 400.439 -0.927 50 20 HBGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)n1cnnn1 1801439146 UORXOCUSKRMEEL-PZWNZHSQSA-N 401.265 -0.393 50 20 HBGD CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)CC1 1834624774 VHJBHLRQTXEZCX-HXUWFJFHSA-N 417.466 -0.445 50 20 HBGD O=C1CCCN1CC(=O)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1835414074 TTXVIKOJIDOKIK-INIZCTEOSA-N 408.282 -0.131 50 20 HBGD O=C(c1cc(Cl)ncn1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1838254895 YUSJOPCFFJODFQ-LRDDRELGSA-N 419.265 -0.200 50 20 HBGD CC(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1839154994 FSZHMBCPQLQYRW-CVEARBPZSA-N 410.298 -0.185 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)CCSC)CCO2)C1 1840200956 XWKSSTOVXUVSFX-GRDNDAEWSA-N 424.947 -0.189 50 20 HBGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1)n1cccn1 1840438783 PCABSHAWIYNGED-CKEIUWERSA-N 400.863 -0.500 50 20 HBGD CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCCC12CN(C(=O)[C@@H](O)CCl)C2 1841297643 BINZIVZVIRVTFQ-RYUDHWBXSA-N 405.879 -0.325 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)[C@H]2CC[C@H]3CCC(=O)N3C2)C1 1845075775 KVFFNRVXMATHDS-HOTGVXAUSA-N 419.526 -0.036 50 20 HBGD Cn1cc(C(=O)NNC(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)cn1 735579032 ALXJSBYZTIJCIX-UHFFFAOYSA-N 400.443 -0.502 50 20 HBGD COC[C@@H](C)CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 737065098 NYSRDCMPIGEUCI-ZDUSSCGKSA-N 414.484 -0.066 50 20 HBGD C[C@H](C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 746090693 LSIZTDJYOGEXHD-ZPTNNJSTSA-N 402.363 -0.093 50 20 HBGD O=C(CNC(=O)c1cccs1)NNC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 751211930 YOBGDIVKRSBPGA-CHPZLBCBSA-N 402.432 -0.568 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H](C)CS(=O)(=O)c1ccc(F)cc1 758025496 MPCKMLOJBRNNGH-UWVGGRQHSA-N 409.461 -0.679 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 758033921 BCXAKKJUWUVGCT-VHSXEESVSA-N 402.860 -0.222 50 20 HBGD C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O 763850888 BNCNELCPMZVKFB-RYUDHWBXSA-N 422.463 -0.452 50 20 HBGD CCOC(=O)NNC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 769935834 BWUWJNWNGRGKQC-NSHDSACASA-N 420.469 -0.065 50 20 HBGD C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)CN1CCN(S(C)(=O)=O)CC1 772969580 ZYVBTFXRQIWNDF-GFCCVEGCSA-N 418.903 -0.168 50 20 HBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)NCCCn1nc2n(c1=O)CCCC2 778624363 ZIBSBCFOBUWGPS-UHFFFAOYSA-N 411.463 -0.374 50 20 HBGD NC(=O)c1cccc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)n1 781723050 AASLVENDDJGJCA-CQSZACIVSA-N 400.347 -0.675 50 20 HBGD COc1ccc(C(=O)N2CCC[C@@H]2C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 798929033 KERMQOYCHZSNQC-DZGCQCFKSA-N 424.479 -0.183 50 20 HBGD COC(=O)COCC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 806782596 QHEXWJGFYJORQA-UHFFFAOYSA-N 400.457 -0.745 50 20 HBGD COc1ccccc1NCC(=O)NNC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 914465374 WTYYWUOEVNUCCN-UHFFFAOYSA-N 412.406 -0.486 50 20 HBGD CC(C)[C@H](CNC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1)N1CCN(C)CC1 916258438 XGEMLLNPBKNSON-KRWDZBQOSA-N 415.502 -0.122 50 20 HBGD C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NNC(=O)CN2CCCC2=O)C1=O 920435552 JHBUUCRDUMYMFO-GOSISDBHSA-N 405.386 -0.638 50 20 HBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc(F)c1F 1319060938 PUDHEAFRCUROJG-ZETCQYMHSA-N 412.392 -0.504 50 20 HBGD Cc1cc(=O)c(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)nn1-c1ccccc1F 1321948805 VLMRPCCPTJXONC-LLVKDONJSA-N 423.426 -0.189 50 20 HBGD CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)NNC(=O)CNC(=O)c1ccco1)C2 1341919311 MJNVQOXPUBIYDF-KBPBESRZSA-N 420.470 -0.577 50 20 HBGD CO[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccc1C(=O)NN)C2 1782244720 KZVDEISQIFTGAA-OWDMVUQNSA-N 419.482 -0.153 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1783874127 YMXBVEYLLOKVOO-CZUORRHYSA-N 415.834 -0.125 50 20 HBGD CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783935441 TWZXUGGVFYPXNG-BEFAXECRSA-N 411.503 -0.010 50 20 HBGD COCc1c[nH]c(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1 1783935817 XAXWTLIWXOAEHD-FQEVSTJZSA-N 421.498 -0.022 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)CS(C)(=O)=O)[C@H]2C1 1784525183 VWDCAXWEQVWJAG-LXFSFDBISA-N 424.947 -0.099 50 20 HBGD COCCn1nccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1787624079 BUZRKJJXDQQKFO-UGQVUOCMSA-N 414.890 -0.278 50 20 HBGD Cc1cnoc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1789125373 XKCPLEOYWLYDDC-XIRDDKMYSA-N 413.239 -0.430 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)C1=COCCC1 1791328290 JYOVHDZPLRZXTK-SNRMKQJTSA-N 414.267 -0.346 50 20 HBGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)CNC(=N)N)CC2)CC1 1834678414 PSLWVAMLKRFOKM-AWEZNQCLSA-N 402.927 -0.705 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3nc(C)no3)CCO2)C1 1836075010 OGPKVDJEMVSQLZ-CXAGYDPISA-N 416.862 -0.369 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1839145329 DRXFOHBAUICLGS-YVEFUNNKSA-N 414.894 -0.207 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3C)C2)C1 1840155305 WXECIMOSFGZPLK-QWQRMKEZSA-N 417.890 -0.683 50 20 HBGD Cn1c(=O)c2c(ncn2CCC(=O)NNC(=O)c2ccc3c(c2)OCO3)n(C)c1=O 16230140 UGBJGRDDXDXCMD-UHFFFAOYSA-N 414.378 -0.986 50 20 HBGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1cccc(-n2cnnn2)c1 730569053 KVRORRLAEXBIEO-UHFFFAOYSA-N 415.439 -0.913 50 20 HBGD Cc1cc(C)n(CC(=O)NNC(=O)c2ccc(S(=O)(=O)CC(=O)N(C)C)cc2)n1 742037902 JXGZUROZAMGKNC-UHFFFAOYSA-N 421.479 -0.177 50 20 HBGD Cn1cc(/C=C\C(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)c(=O)n(C)c1=O 743829539 UTVBFGCLPDRXMB-WTKPLQERSA-N 421.435 -0.646 50 20 HBGD COc1ccc(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)cc1C(N)=O 751278820 BKLXKGZDYMCZOI-UHFFFAOYSA-N 412.449 -0.405 50 20 HBGD CC[C@H](NC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1)C(=O)N1CCOCC1 753059555 UVMAGAGMMOYSRZ-AWEZNQCLSA-N 402.415 -0.756 50 20 HBGD CC(=O)NC[C@@H]1CCn2ncc(C(=O)NNC(=O)CCN3C[C@@H](C)O[C@H](C)C3)c2C1 754173409 DRGSAPHRXZONTE-IIAWOOMASA-N 420.514 -0.158 50 20 HBGD Cn1cc(C(N)=O)cc1C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 755047677 PDYVFXXYPWLJGP-UHFFFAOYSA-N 419.463 -0.017 50 20 HBGD CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 764227666 PTZPJWFGBANMDS-JTQLQIEISA-N 411.440 -0.631 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cnccc1-c1cccc(F)c1 764234650 ZCTQADQKFSHAJG-JTQLQIEISA-N 423.426 -0.089 50 20 HBGD O=C(COC(=O)[C@@H]1CCCCS1(=O)=O)NNC(=O)[C@@H]1COc2ccccc2O1 772417175 URGSMBSAVQIFAO-KBPBESRZSA-N 412.420 -0.516 50 20 HBGD Cn1c(=O)c2ccc(C(=O)NNc3cccc(S(C)(=O)=O)c3)nc2n(C)c1=O 776528846 UFJJYESTSKOTDE-UHFFFAOYSA-N 403.420 -0.207 50 20 HBGD COC(=O)CNC(=O)NNS(=O)(=O)c1cccc(I)c1 779844918 LRUAUNLCLUFPKO-UHFFFAOYSA-N 413.193 -0.043 50 20 HBGD COc1nc(Br)ccc1NC(=O)C(=O)NNC(=O)[C@@H]1COCCO1 789587059 VLTIBTATHUTOHY-QMMMGPOBSA-N 403.189 -0.646 50 20 HBGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)Cn2nc(C)cc2C)c(C)c1 796999300 KLHKXHADXGUSJQ-UHFFFAOYSA-N 416.438 -0.281 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@H](O)C(C)C)CC2)cc1 802763634 YMWPEEOTXKTWEZ-QGZVFWFLSA-N 412.512 -0.534 50 20 HBGD CC(C)NC(=O)C(=O)NNC(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C 914719560 XYAMGQHURMQHDI-IBGZPJMESA-N 401.423 -0.343 50 20 HBGD O=C(Cn1cc(Br)ccc1=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919887115 XKESQDRUFYFGRE-VIFPVBQESA-N 407.246 -0.872 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CC[C@]2(CN(C(=O)CN3C(=O)CNC3=O)CCO2)C1 1781224669 MQZHPGWWRYQGEI-CVEARBPZSA-N 421.281 -0.396 50 20 HBGD O=C(CN1CCOCC1)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781327879 CLHMJPKBRJHQGO-DZGCQCFKSA-N 408.268 -0.161 50 20 HBGD CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1781401307 YLQNJSAUGWNBLS-QRWLVFNGSA-N 417.271 -0.389 50 20 HBGD O=C(CNC(=O)C(F)(F)F)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1783976458 XGMWJLDPOMVHCS-TVQRCGJNSA-N 401.769 -0.906 50 20 HBGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(O)nc1O 1796347751 RRDDYKALCSQPGG-SDNRWEOFSA-N 415.244 -0.126 50 20 HBGD CC(=O)N(C)[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1796904065 ONISWARZZCFBJO-BIMQEMHKSA-N 401.272 -0.515 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1cncnc1)C2 1798440598 DPBUETHYVYTRPO-QDMKHBRRSA-N 409.450 -0.030 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ncc[nH]1 1801212931 ZAFAADINIARAGN-HBCWATKFSA-N 406.487 -0.695 50 20 HBGD CC(=O)NCC(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807368060 XBYYEKVWGYQRNN-PXNSSMCTSA-N 424.266 -0.783 50 20 HBGD C=CC(=O)N[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833312456 NMDHDJPSVIQRLX-CZUORRHYSA-N 414.934 -0.152 50 20 HBGD CNC(=O)CC(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1833440089 OEVQLNJSHPXHCI-UHFFFAOYSA-N 424.546 -0.933 50 20 HBGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1834819423 OGBSAVRQDKXXPD-FZMZJTMJSA-N 413.696 -0.173 50 20 HBGD CC(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840035020 DFVBRTXWNWYHJB-IAQYHMDHSA-N 406.277 -0.638 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncn3C)C2)C1 1840149791 AFNDMNNTDIQQIS-CXAGYDPISA-N 400.863 -0.256 50 20 HBGD C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](Cl)COC)CCO2)C1 1840150795 RXMSBAVYVSZZOJ-RVKKMQEKSA-N 402.875 -0.265 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)/C=C\C(=O)NC1CC1)C2 1844264317 FSYPDURZVUSQOV-PLNGDYQASA-N 412.450 -0.663 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)CNC(=O)c1ccco1)C2 1846384617 NASWJDMAXNQZCK-UHFFFAOYSA-N 405.455 -0.414 50 20 HBGD CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NNC(=O)NC2CC2)c1 143305197 MVLJVOXAGMOLRN-UHFFFAOYSA-N 411.484 -0.120 50 20 HBGD NS(=O)(=O)c1ccc(OCC(=O)NNC(=O)CNC(=O)c2cccs2)cc1 725902624 OUSVUSVNXIDICQ-UHFFFAOYSA-N 412.449 -0.648 50 20 HBGD CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 729274963 ICKTWRVSFDQSQL-ZUZCIYMTSA-N 409.468 -0.700 50 20 HBGD CS(=O)(=O)c1ccccc1NNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 732304310 UIANVGUUJYJDDE-CQSZACIVSA-N 410.496 -0.286 50 20 HBGD CN1CC(=O)N(CCCC(=O)OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1=O 742289358 VJJHWIVZPRCTLO-UHFFFAOYSA-N 421.366 -0.427 50 20 HBGD CCc1nncn1CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 745912712 WJXAINLDANXHML-UHFFFAOYSA-N 409.472 -0.265 50 20 HBGD Cn1c(=O)c2c(ncn2CCC(=O)NNC(=O)c2cccc3cccnc23)n(C)c1=O 747424664 BWJOCOLCNUQIQI-UHFFFAOYSA-N 421.417 -0.167 50 20 HBGD O=C(NNS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)[C@@H]1Cc2ccccc2O1 748213463 CUKUYUKZLKVXJZ-AWEZNQCLSA-N 402.388 -0.470 50 20 HBGD COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)C(C)(C)C)cc1 761063780 LWVSIFKUKTYNJU-UHFFFAOYSA-N 400.457 -0.257 50 20 HBGD COc1ccc(OC(F)F)c(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 764227701 QSBHHVJPBUWGJG-SSDOTTSWSA-N 424.382 -0.680 50 20 HBGD Cn1ccnc1[C@](O)(CC(=O)NNC(=O)CNC(=O)c1cccnc1)C(F)(F)F 764343266 NFNRMCHBRKQPPU-OAHLLOKOSA-N 414.344 -0.468 50 20 HBGD CNC(=O)c1cc(Cl)cc(S(=O)(=O)NNC(=O)N2CCOCC2)c1OC 795307165 VJAAQCQAQZCKLL-UHFFFAOYSA-N 406.848 -0.057 50 20 HBGD Cn1cc(NC(=O)C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)nn1 815564027 VFIZLAYQQUQVNJ-UHFFFAOYSA-N 400.443 -0.887 50 20 HBGD CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)cc1 815778389 OWXRPKDCVMWQHU-SMDDNHRTSA-N 420.422 -0.367 50 20 HBGD C[C@@H]1CN(CCC(=O)NNC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)C[C@@H](C)O1 912924844 TXVQYRRUBRIJPC-JUFXHULESA-N 404.467 -0.560 50 20 HBGD COc1ccc(C(=O)O)cc1S(=O)(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 916105890 SOCIFEVDOMSPSH-UHFFFAOYSA-N 418.391 -0.008 50 20 HBGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 919690153 KTRUZINHAWVTGB-SNVBAGLBSA-N 417.397 -0.057 50 20 HBGD Cn1c(=O)c2cc(C(=O)NNC(=O)c3cncn3-c3ccccc3)cnc2n(C)c1=O 1317766514 WSKCSGSCAWYHLQ-UHFFFAOYSA-N 419.401 -0.107 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CN3C(=O)CCC3=O)cc2)CC1 1347995996 RPPJUERNLWRDSD-UHFFFAOYSA-N 409.468 -0.785 50 20 HBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2)c1cnc(O)nc1O 1778004451 HGIAAMLVPNGCOC-PSTGCABASA-N 414.846 -0.385 50 20 HBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](F)Br)C2)[C@@H]1C[C@H](O)CN1 1780601983 WFWLIHVHKQDXKT-CQUYNDQOSA-N 422.295 -0.086 50 20 HBGD O=C(COc1ccc(O)nn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1790589347 XAJMEDREULZHTK-RVMXOQNASA-N 414.846 -0.860 50 20 HBGD O=C(CNC(=O)C(F)(F)F)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1791311357 DSLGJKWRYHILBB-NAKRPEOUSA-N 415.796 -0.756 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)N1CCCC1)C2)[C@@H](O)CCl 1792975661 TWFDKNYMVPJLBD-LOUJCGABSA-N 401.891 -0.422 50 20 HBGD CCC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CNC1=O)C2 1793445285 BOKHHIWGKNRZQQ-NWJSVONSSA-N 400.863 -0.465 50 20 HBGD Cc1cc[nH]c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1794388880 HAXCFVNOGRIDKH-FVCICTRLSA-N 412.450 -0.161 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1 1839153614 LZELYKMDYLCDBL-CVEARBPZSA-N 421.281 -0.445 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC=O)C2)C1 1840034451 LYPLQFZQZLMNJE-HUBLWGQQSA-N 406.277 -0.639 50 20 HBGD Cn1c(=O)c2cc(C(=O)NNC(=O)c3nnc(O)c4ccccc34)cnc2n(C)c1=O 29231814 BGSHOCRZLFYACY-UHFFFAOYSA-N 421.373 -0.644 50 20 HBGD Cc1nc(S(=O)(=O)NCCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cn1C 116610007 YBDJGDHMKWRQJB-AWEZNQCLSA-N 423.451 -0.616 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)NNC(=O)[C@H]1COc2ccccc2O1 725870873 CQVPEUIRJHEMJZ-CYBMUJFWSA-N 403.351 -0.789 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1 758032030 ZCOHKIRYMHEHSH-QMMMGPOBSA-N 420.373 -0.015 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CCCNC(=O)c1ccc(F)cc1F 758045918 QLKSDKOROSBGKB-VIFPVBQESA-N 406.411 -0.440 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H](C)N1CCN(c2ccc(F)cc2)CC1 758049420 ZNADGSJRSKTCGT-STQMWFEESA-N 415.491 -0.579 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(Cl)c2cccnc12 764234234 WWLMNNAIPIXHLE-QMMMGPOBSA-N 413.843 -0.088 50 20 HBGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccccc1I 764426687 VXODODOFLLOQEM-SNVBAGLBSA-N 419.175 -0.208 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CCCOc2ccccc2)n(C)c1=O 765721765 IKKPSPGNHQXAHN-UHFFFAOYSA-N 414.422 -0.560 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3ccn(C)n3)CC2)cc1 766635621 BCQYHJXTPBIABQ-UHFFFAOYSA-N 420.495 -0.504 50 20 HBGD CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])O1 775458797 AJGSKIYRLHHRQH-SMDDNHRTSA-N 409.399 -0.060 50 20 HBGD Cc1cc2ccc(C(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cn2c1 807092204 UIPJOJBWOIOBNA-UHFFFAOYSA-N 409.406 -0.544 50 20 HBGD CN(C)S(=O)(=O)N(C)CC(=O)NNC(=O)COc1ccc(Br)cc1 816810766 ZKJYRAXFTHLCOC-UHFFFAOYSA-N 423.289 -0.287 50 20 HBGD CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)=NO1 816887386 YNBXASHIEJTTED-GHMZBOCLSA-N 407.431 -0.343 50 20 HBGD CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783935446 TWZXUGGVFYPXNG-HNAYVOBHSA-N 411.503 -0.010 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)n3cnnn3)C2)C1 1784604373 WRASWEGVAUDANR-COPLHBTASA-N 401.265 -0.153 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=COCCC3)C[C@@H]21)c1ccc(B(O)O)cc1 1786983683 PUJYQTNARJZXBL-SNRMKQJTSA-N 414.267 -0.346 50 20 HBGD CC[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)CN3)C[C@@H]21 1790963175 NBBLMCRIIQFHOZ-LZXPERKUSA-N 418.332 -0.138 50 20 HBGD CN[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)Br)C2)C(=O)O 1795647449 OOTLTAQNSWDZKV-CFDXXZMTSA-N 406.277 -0.578 50 20 HBGD CCc1ncccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795732560 VJBXLVJQXFBJPX-CWPLJXCYSA-N 423.278 -0.159 50 20 HBGD CC(=O)NCC(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807372376 DVMCACQPIJYTSD-PXNSSMCTSA-N 424.266 -0.783 50 20 HBGD O=C(COc1cccnn1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1840409183 BCNASCWRMKUPCU-HOCLYGCPSA-N 402.810 -0.154 50 20 HBGD O=C(c1cc2cccnn2n1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014220 LFELGMAICINEAC-UHFFFAOYSA-N 405.223 -0.460 50 20 HBGD O=C(Cn1nnc2ccccc21)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(B(O)O)c1 1848002193 SGHAMFQYGSMOEK-OALUTQOASA-N 419.250 -0.373 50 20 HBGD COc1cccc(NC(=S)NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)c1 18945205 BMIILRYZOUUPJQ-UHFFFAOYSA-N 410.481 -0.403 50 20 HBGD CCN1CCC[C@@H]1CN1C[C@H](C(=O)NNC(=O)CNC(=O)c2ccco2)CC1=O 733144179 LVEXFQFUWKMMEM-ZIAGYGMSSA-N 405.455 -0.510 50 20 HBGD Cn1c(=NNC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)sc2ccccc21 742243220 PMJLAAYWJIUHQW-UHFFFAOYSA-N 408.465 -0.423 50 20 HBGD C[C@@]1(C2CCN(CC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)CC2)NC(=O)NC1=O 752301635 QXIGNAATCQZCLR-SFHVURJKSA-N 418.410 -0.334 50 20 HBGD CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCC(=O)NNc1ccc(C(N)=O)nn1 761102274 XWHNLGIICVPBKO-GFCCVEGCSA-N 421.458 -0.076 50 20 HBGD O=C1COc2ccc(NC(=O)C(=O)NNC(=O)[C@@H]3COc4ccccc4O3)cc2N1 763572215 MCQTVWHLHYJNHI-HNNXBMFYSA-N 412.358 -0.057 50 20 HBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 764295681 OZXZAERYPGATCK-UHFFFAOYSA-N 412.468 -0.098 50 20 HBGD CSCCNC(=S)NNC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O 769768154 DXCBAEOMAJLSDL-UHFFFAOYSA-N 405.546 -0.076 50 20 HBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccc(NC(C)=O)cc1 771931981 LFOPMRRQWOQGKV-SNVBAGLBSA-N 414.440 -0.588 50 20 HBGD CN(C)S(=O)(=O)c1cc(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)n(C)c1 778525555 YCTOCRDXUNDHEI-OAHLLOKOSA-N 408.436 -0.124 50 20 HBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 786360888 NXZHSAPICXUUIP-GNZOJXKOSA-N 409.439 -0.336 50 20 HBGD Cc1c(Cl)cc(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1C(=O)O 794868523 YBPGPLOWTHXUPE-ZETCQYMHSA-N 413.861 -0.406 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(F)c(N2CCOC2=O)c1 797659764 OCVAQKATUIOROM-QMMMGPOBSA-N 403.392 -0.127 50 20 HBGD COc1cc(C(=O)NNC(=O)N2CCN(C)CC2)cc(NS(C)(=O)=O)c1OC 807381525 YAYZNQCDLRKSNS-UHFFFAOYSA-N 415.472 -0.323 50 20 HBGD O=C(NNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)c1cccc([N+](=O)[O-])c1 914829677 LKXKXSGUIDRMOL-AAEUAGOBSA-N 410.408 -0.609 50 20 HBGD COc1ccccc1CC(=O)NNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 919822259 JHBKJIBSHBNGLZ-UONOGXRCSA-N 409.464 -0.579 50 20 HBGD O=C(CN1CCCC1=O)NNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 920826440 LSHLVYGVQZTZDA-UHFFFAOYSA-N 408.480 -0.143 50 20 HBGD CCN1CCOC[C@@H]1C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 1120611281 MVDKGXSKHLZLRH-QGZVFWFLSA-N 403.483 -0.688 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)CCc3ncc[nH]3)C2)C1 1784271980 YVGDCMKKDLSHTG-IBGZPJMESA-N 406.487 -0.455 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCNC3=N)[C@H]2C1 1786845203 VVSZHNSBMMAJLG-XUXIUFHCSA-N 401.895 -0.940 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ccncn1 1787566160 APKRGAFUWFPSOD-ZVZYQTTQSA-N 410.239 -0.937 50 20 HBGD CCO/C=C/C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1791460508 UAQKVGVSDILYHU-SWXRFINNSA-N 402.256 -0.490 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC(c3ccccc3)=NN1)C2)[C@H](O)CCl 1792984219 WOGVYLDBABYCID-CENPHQPOSA-N 420.897 -0.058 50 20 HBGD CN(C)c1ncc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)o1 1794946344 WBKREXZJKUZRHO-MUJYYYPQSA-N 412.255 -0.014 50 20 HBGD C[C@@]1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)CC1(F)F 1795736817 ISMSPXOLOWHMOZ-HRJSJKBJSA-N 408.210 -0.385 50 20 HBGD CCOC(=O)C1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)CC1 1796190339 PKBAZHUGRCAKHD-BJWYYQGGSA-N 414.267 -0.039 50 20 HBGD Cc1ncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)[nH]1 1797748678 RYOFPSXTNYUDSN-DRXBFXEBSA-N 413.438 -0.766 50 20 HBGD Cc1cc[nH]c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797749626 HMTKEHIYPIHRKZ-FVCICTRLSA-N 412.450 -0.161 50 20 HBGD Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)cn1 1797749805 VIHXPBWOVHBGFY-JLVBRIDZSA-N 424.461 -0.094 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(O)cc1)C2 1801011781 BVWRHBGCLQJIMQ-CCWDJLKJSA-N 404.467 -0.032 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)C1CCSCC1 1802169040 QMISOMZYRMOVIX-ALXJQNPVSA-N 418.324 -0.287 50 20 HBGD Cn1cnc(C(=O)N2CCCC3(CCN(C(=O)c4ccc(B(O)O)cc4)CC3)C2)n1 1807998886 WYSDORREPYQIPA-UHFFFAOYSA-N 411.271 -0.347 50 20 HBGD O=C(CN1C(=O)CNC1=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](O)CCl)CC1 1824178932 MPYQDBFZAQINAZ-ZIAGYGMSSA-N 414.890 -0.242 50 20 HBGD COCc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1 1830730857 FJOUEVBLDYOBLD-CRAIPNDOSA-N 415.874 -0.169 50 20 HBGD COCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1834971185 CIKUZUCRIMNLHS-ORTNRGLGSA-N 421.454 -0.777 50 20 HBGD C[C@H](NC=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1839164286 ZTWKFRPMLGBVFR-COPLHBTASA-N 410.240 -0.732 50 20 HBGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn(C)n3)C2)C1 1840031646 YENAPPBKOUCFDZ-IAQYHMDHSA-N 416.276 -0.332 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)n[nH]3)C2)C1 1840151877 PTJSEISZEFXYFU-MEDUHNTESA-N 402.835 -0.561 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1840186761 DRVXYASPPLKZPF-HXUWFJFHSA-N 421.498 -0.490 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)C1(F)CCC1)CCO2 1840620923 YIXKZGNWVZRYRP-IBGZPJMESA-N 420.246 -0.671 50 20 HBGD O=C(CCN1CCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840938382 RDCBOVGHVDUWSQ-QAPCUYQASA-N 403.907 -0.472 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)CN2CCCC2=O)C1 1842831119 PFXIKIIZRFNGMQ-UHFFFAOYSA-N 400.439 -0.876 50 20 HBGD Cc1nnc(CC(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)s1 1843013493 PSSVUEJAECCFII-UHFFFAOYSA-N 400.269 -0.414 50 20 HBGD COCCOCCOCCOCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847563906 NJYGEVVJIDCWQR-JYJNAYRXSA-N 422.906 -0.516 50 20 HBGD Cn1nc(C(=O)NNC(=O)Cc2ccc(S(N)(=O)=O)cc2)c2ccccc2c1=O 729258382 SAEHRASLRAKBIE-UHFFFAOYSA-N 415.431 -0.415 50 20 HBGD CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NNC(=O)c1cnn[nH]1 729456604 VOEAHCNCNZXHAE-LLVKDONJSA-N 405.440 -0.137 50 20 HBGD Cn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1ccc(Cl)cc1F)c(=O)n2C 747329131 HOOYTLBYALTQCO-UHFFFAOYSA-N 408.777 -0.313 50 20 HBGD Cn1c(CC(=O)NNC(=O)NC[C@H]2CCCN2S(C)(=O)=O)nc2ccccc21 753690648 FWCRTXGMDIGGDK-GFCCVEGCSA-N 408.484 -0.130 50 20 HBGD CN(CC(=O)NNC(=O)C(=O)Nc1ccccn1)C1=NS(=O)(=O)c2ccccc21 758839360 DUOOQOZYHXJLFQ-UHFFFAOYSA-N 416.419 -0.752 50 20 HBGD CCN=c1nc(NCC)n2c(SCC(=O)NNc3ncc(F)cn3)n[nH]c2n1 760911554 AZMXYHFWFCRFFD-UHFFFAOYSA-N 407.439 -0.031 50 20 HBGD Nc1nc(Cl)c(C=NNC(=O)CNC(=O)c2cccnc2)c(N2CCOCC2)n1 763199857 VPRRMVMUUUNYRI-UHFFFAOYSA-N 418.845 -0.176 50 20 HBGD Cc1ccnc(-c2cccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c2)n1 764231813 QFJSFEZJRHCTEE-LLVKDONJSA-N 420.451 -0.524 50 20 HBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccccc1OCC(=O)N1CCOCC1 764320043 VGVZYLOVQMFPQI-UHFFFAOYSA-N 408.411 -0.953 50 20 HBGD CC[C@H](OC)C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 766637114 XNAJDTSZUIWFQP-INIZCTEOSA-N 412.512 -0.126 50 20 HBGD CC(C)(O)C(=O)NNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc1ccccc1 768247653 MKDPMQVTKNXHHF-CYBMUJFWSA-N 415.468 -0.366 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccnc(CNC(=O)OC(C)(C)C)c1 768706679 NJGFTENCLOTBAG-SNVBAGLBSA-N 415.472 -0.195 50 20 HBGD COC(=O)CNC(=O)NNS(=O)(=O)c1cc2nc(O)[nH]c2cc1Br 779847047 RJUZGMDUZCGXKY-UHFFFAOYSA-N 422.217 -0.304 50 20 HBGD O=C(NNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N[C@@H]1CCS(=O)(=O)C1 781949843 NXTWWNZXFPXGLC-NOZJJQNGSA-N 411.396 -0.395 50 20 HBGD COC(=O)COc1ccc(C=NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 788714899 QOZNDZAPPGOTQO-NSHDSACASA-N 414.396 -0.033 50 20 HBGD O=C(NNS(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl)[C@H]1CCc2nncn2C1 793449052 YEMVQHDDOLWWHL-ZETCQYMHSA-N 412.815 -0.062 50 20 HBGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1OC 799119904 KUJRFNUVXGUKQZ-VIFPVBQESA-N 406.438 -0.774 50 20 HBGD Cn1cnc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 809933489 ITHLBZPYLBHPSR-UHFFFAOYSA-N 422.467 -0.770 50 20 HBGD CN(C)CCN1CCC(NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CC1 916382612 LMEZCBJJZQEQBZ-UHFFFAOYSA-N 401.475 -0.368 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cncc(O)c1)CCO2 1783937942 YQEOZPKHVTWHEE-IBGZPJMESA-N 405.455 -0.396 50 20 HBGD CCC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@@H](N)C(N)=O)C[C@@H]21 1784618295 JZTJBPSTMQPJSY-LXFSFDBISA-N 402.923 -0.034 50 20 HBGD CC[C@@H](NC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1792613729 AHIKQHRNIJRQSZ-XMTFNYHQSA-N 401.272 -0.467 50 20 HBGD CNc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)cc1 1795557973 WNWHIMJRYLIRMR-XEMDLRDOSA-N 423.278 -0.075 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)[C@@H]1CC[C@@H]2CCC(=O)N2C1 1799144717 RQCAVVMDBZNJIQ-LQCKPJBFSA-N 413.902 -0.423 50 20 HBGD O=C(c1cc(=O)cco1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830725628 QQABRHFJMMRKSV-DYVFJYSZSA-N 400.815 -0.691 50 20 HBGD O=C(c1ncccc1F)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731427 JIMPNHUCNUIWLP-SUMWQHHRSA-N 401.822 -0.110 50 20 HBGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)Cn3ccnn3)C2)C1 1834822292 FQLPOSXWLBKYDR-OAHLLOKOSA-N 416.276 -0.481 50 20 HBGD Cc1n[nH]c(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837801232 JULKRNZKSGNFNJ-GUYCJALGSA-N 400.863 -0.304 50 20 HBGD C/C=C(/C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839823836 LAZVNBMYHWMGFX-IBPVBLNFSA-N 402.256 -0.597 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cocn3)C2)C1 1840183520 JJDCGAJDBMSGKP-GOSISDBHSA-N 409.443 -0.882 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2ccc3ncnn3c2)C1 1844139243 FPHQIHKJKAOKQK-UHFFFAOYSA-N 405.223 -0.460 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCC[S@@](C)=O)nc2)CC1 745849191 OLKSSUVSUQOGMB-RUZDIDTESA-N 404.518 -0.978 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 758030958 UJQIXXDABJDCHU-IUCAKERBSA-N 420.850 -0.083 50 20 HBGD CSCC[C@@H](NC(=O)c1ccco1)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758047548 YAZAAJXUOHMOIC-NXEZZACHSA-N 406.486 -0.784 50 20 HBGD CCNC(=O)N1CCc2ccc(NC(=O)C(=O)NNC(=O)[C@@H]3COCCO3)cc21 764431613 DQZITXRVCAWLGE-AWEZNQCLSA-N 405.411 -0.720 50 20 HBGD COc1ccc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)c1 765725276 QNIMJQDPANVWJV-UHFFFAOYSA-N 400.395 -0.788 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cn[nH]c3)CC2)cc1 766637120 XUFLHYWRXNYFFK-UHFFFAOYSA-N 406.468 -0.514 50 20 HBGD O=C(CN1C(=O)CCC1=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 1115813359 GEZUHKZYLSSKDG-UHFFFAOYSA-N 422.463 -0.229 50 20 HBGD O=C(CC[C@@H]1CCOC1)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1784809695 WYFPJEGHMQWBJG-IERDGZPVSA-N 416.283 -0.373 50 20 HBGD C[C@@]1(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)CC1(F)F 1785392952 QOCPZGUSWKAJAP-ZWKOTPCHSA-N 408.210 -0.145 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccccn3)C[C@@H]21 1791289282 RNBUCQOKDJMOEP-SZMVWBNQSA-N 417.510 -0.023 50 20 HBGD COc1nn(C)cc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1794923373 WOAHPUXTTRDPSK-MUJYYYPQSA-N 412.255 -0.326 50 20 HBGD Cc1nscc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795732515 OIJFOEAAROTIEC-XOIINTDNSA-N 415.280 -0.352 50 20 HBGD C[C@@H](Cn1ccnc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1801376041 ZFKUVKOMIXPFNL-GGXPGOJBSA-N 420.514 -0.518 50 20 HBGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1)n1cccn1 1830736909 BWRVMGGBQZBYJV-CKEIUWERSA-N 400.863 -0.500 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC=O)C2)C1 1840034453 LYPLQFZQZLMNJE-YWPYICTPSA-N 406.277 -0.639 50 20 HBGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840039666 CKRWDBRPROOVGN-BLLLJJGKSA-N 417.256 -0.438 50 20 HBGD O=C(CCNS(=O)(=O)c1ccc(F)cc1)NNC(=O)CNC(=O)c1ccco1 725739292 BMTLQXPZANNTAD-UHFFFAOYSA-N 412.399 -0.336 50 20 HBGD Cc1n[nH]cc1C(=O)NNC(=O)CSCCOc1ccc(S(N)(=O)=O)cc1 732084136 NNPMCYKQHOQNSO-UHFFFAOYSA-N 413.481 -0.061 50 20 HBGD O=C(COCc1ccccc1)NNS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 737755882 HKWHBLFKQQPYPG-UHFFFAOYSA-N 404.404 -0.257 50 20 HBGD CCn1nc(C(=O)NNC(=O)[C@@H](NC(=O)COC)C(C)C)c2ccccc2c1=O 741207430 MQIZTZOHHDGBIT-HNNXBMFYSA-N 403.439 -0.035 50 20 HBGD Cc1[nH]c2ccnn2c(=O)c1CC(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1 745024742 XEBRSBGUUZXHSR-UHFFFAOYSA-N 408.374 -0.250 50 20 HBGD Cn1c(=O)c2cc(C(=O)OCC(=O)NNC(=O)c3ccccc3)cnc2n(C)c1=O 746941444 AFJDBNZATGIZAU-UHFFFAOYSA-N 411.374 -0.750 50 20 HBGD Cc1cc(=O)c(C(=O)NNC(=O)C(=O)N2CCCC2)nn1-c1ccccc1[N+](=O)[O-] 748247608 SESNXHQSHWAUPN-UHFFFAOYSA-N 414.378 -0.167 50 20 HBGD Cn1c(=O)c2c(ncn2CCC(=O)NNc2ccc(C(F)(F)F)nn2)n(C)c1=O 755197921 YSCWAJOQNRJBQP-UHFFFAOYSA-N 412.332 -0.224 50 20 HBGD CCOc1ccccc1NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 755405085 KTQLIFBBDPGSMV-UHFFFAOYSA-N 415.410 -0.315 50 20 HBGD Cc1oc(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cc1S(N)(=O)=O 756079880 JAJSXLZXXYSLHA-UHFFFAOYSA-N 405.392 -0.443 50 20 HBGD CCCS(=O)(=O)Nc1ccc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1 758041152 WQJDSLWXICYPFF-SNVBAGLBSA-N 406.486 -0.463 50 20 HBGD CCS(=O)(=O)Nc1ccc(S(=O)(=O)NNC(=O)[C@@H]2COCCO2)c(OC)c1 761271753 NUTUBXQQPHVVQW-LBPRGKRZSA-N 423.469 -0.818 50 20 HBGD Cc1c(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cccc1-n1cnnn1 763572985 OZUKFFJUTVITSM-INIZCTEOSA-N 423.389 -0.103 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc3ccccc3n2C)n(C)c1=O 766636258 LWSXRLRSEXIFNL-UHFFFAOYSA-N 409.406 -0.613 50 20 HBGD CC[C@]1(C)NC(=O)N(CC(=O)OCC(=O)NNC(=O)Cc2ccccc2C)C1=O 767238848 INJSLBNXUUGFJT-IBGZPJMESA-N 404.423 -0.051 50 20 HBGD C[C@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)[C@H]1CN(C)CCO1 770436753 ZRXLXRJDGSMWBE-SWLSCSKDSA-N 413.500 -0.400 50 20 HBGD COC(=O)CNC(=O)NNS(=O)(=O)c1ccc(Br)cc1C(=O)OC 779846119 WDYOTELGBHTHNZ-UHFFFAOYSA-N 424.229 -0.099 50 20 HBGD COC(=O)[C@@H](CS(=O)(=O)NNC(=O)CNC(=O)c1ccco1)c1ccccc1 795311954 NEWXKRCTLCRHSM-ZDUSSCGKSA-N 409.420 -0.083 50 20 HBGD CC(=O)N1CCC[C@@H](C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)C1 804951936 YWWALTLWIUXTSK-CZUORRHYSA-N 405.407 -0.225 50 20 HBGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 810389598 JAYRVIRJZSVIAR-JTQLQIEISA-N 417.172 -0.141 50 20 HBGD NS(=O)(=O)c1cc(C(=O)NNC(=O)[C@@H]2CC(=O)N(C3CC3)C2)ccc1Cl 912988579 ITCHWLCGMSKQSR-SECBINFHSA-N 400.844 -0.241 50 20 HBGD O=C(NNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)c1cc(Cl)ccc1O 914831367 XNARTMVCIGSDQW-GXSJLCMTSA-N 415.855 -0.158 50 20 HBGD Cn1c(=O)c2cc(C(=O)NNC(=O)COc3ccc(C#N)cc3)n(C)c2n(C)c1=O 919688921 KFHYFOJTTUOAAS-UHFFFAOYSA-N 410.390 -0.713 50 20 HBGD CCS(=O)(=O)c1ccc(N2CCC(NC(=O)NNC(=O)C(=O)OC)CC2)cc1 1252439298 WYPSWFVDOZCONK-UHFFFAOYSA-N 412.468 -0.048 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnncc3C(=O)O)C2)C1 1779527930 JZHWQMJJPATJPZ-SUMWQHHRSA-N 412.830 -0.128 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)ccc3O)C2)C1 1782049071 KYYGIXFQMOXULS-FQEVSTJZSA-N 420.466 -0.086 50 20 HBGD Cc1nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)co1 1786061601 GHCUUVDKRNDGIN-DZKIICNBSA-N 407.471 -0.051 50 20 HBGD CN(C)C(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CO[Si](C)(C)C 1797953923 TWKHTFWAPNXLQD-YWVIFJGQSA-N 400.552 -0.301 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnn2cccnc12)c1cccc(B(O)O)c1 1798018129 DBBLEJNBDUVBGI-BJWYYQGGSA-N 419.250 -0.025 50 20 HBGD O=C(O)CSCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1802351132 DDGPDLXJGRHYGH-QDMKHBRRSA-N 406.269 -0.564 50 20 HBGD CN1CCN(CC(=O)NC[C@@H]2CCN(C(=O)[C@@H](O)CCl)[C@H]2c2cccnc2)CC1 1809599291 MZXFABMOWCGYBB-LNLFQRSKSA-N 423.945 -0.066 50 20 HBGD CC(=O)NCCC(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809980284 UDYRJDGQQSMNHP-UHFFFAOYSA-N 415.299 -0.263 50 20 HBGD O=C(N[C@H]1CCc2nc(NC(=O)c3nc[nH]n3)sc2C1)c1cccc(B(O)O)c1 1816025543 HRYFEUJOJFOOHB-NSHDSACASA-N 412.240 -0.519 50 20 HBGD Cn1cnc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)n1 1817470553 CZDAXLBCYRFTBS-OAHLLOKOSA-N 423.242 -0.162 50 20 HBGD Cn1ncnc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817471232 TULIUMFVAHAPLM-OAHLLOKOSA-N 423.242 -0.162 50 20 HBGD NC(=O)[C@H](N)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](O)CCl)CC1 1824181807 MNSSEZMWLAMZGS-RBSFLKMASA-N 402.923 -0.201 50 20 HBGD O=C(CCc1ncc[nH]1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830736928 BYTUVGRORXUQNA-CXAGYDPISA-N 400.863 -0.602 50 20 HBGD C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1831456388 JIHFTBWAJPPMPJ-JMSVASOKSA-N 414.883 -0.342 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCN(C)C(C)=O)CCO2)C1 1832297938 WPFONZOQTOHRKQ-YJBOKZPZSA-N 419.906 -0.435 50 20 HBGD O=C(CCN1CCOCC1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1835444390 ZDENXTVSJVMNAH-WBVHZDCISA-N 407.870 -0.301 50 20 HBGD C[C@@H](C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1)S(C)(=O)=O 728216221 UZRGQPAJVZZPFI-LBPRGKRZSA-N 404.514 -0.501 50 20 HBGD COc1ccc(CCC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c(OC)c1OC 729276262 AHFAAFHZIPBHTB-JTQLQIEISA-N 403.457 -0.270 50 20 HBGD O=C(CNC(=O)c1ccccc1OC(F)F)NNC(=O)[C@H]1CCS(=O)(=O)C1 732307825 NWPXJVIASMYBIF-VIFPVBQESA-N 405.379 -0.400 50 20 HBGD COc1cc(C(=O)NNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)cc(OC)c1OC 733884486 CVHPXEWBXZUJGF-CYBMUJFWSA-N 408.455 -0.117 50 20 HBGD O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)COc1ccccc1F 742470509 GXLKYPZCABFXEU-OMNBBPDLSA-N 405.382 -0.096 50 20 HBGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1ccc(O)c([N+](=O)[O-])c1 749612285 NDAVRAJQZSQDCA-UHFFFAOYSA-N 408.396 -0.275 50 20 HBGD CCc1ccc([C@H](C)C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 765730992 QIMBDDLNUSXHKG-LBPRGKRZSA-N 412.450 -0.053 50 20 HBGD CNC(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 769114206 ZGIUEJAKUDBSLB-UHFFFAOYSA-N 401.408 -0.355 50 20 HBGD CNC(=O)NNC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 781934262 XJSYPTPINGSVDP-LBPRGKRZSA-N 400.457 -0.087 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1ccccc1O[C@@H]1CCOC1 784004130 IOLGQWGNSUPUDQ-GFCCVEGCSA-N 416.390 -0.037 50 20 HBGD CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)NNC(=O)c1ccc2c(c1)OCCO2 787881849 NTMFOKRAYFJENU-GHMZBOCLSA-N 408.411 -0.142 50 20 HBGD NS(=O)(=O)c1cc(C(=O)NNC(=O)[C@H]2CC(=O)N(C3CC3)C2)ccc1Cl 912988580 ITCHWLCGMSKQSR-VIFPVBQESA-N 400.844 -0.241 50 20 HBGD COCC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)CC1 1784468974 VBYCGIFKTWLCLA-SZMVWBNQSA-N 416.283 -0.614 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccncn3)C[C@@H]21)c1cccc(B(O)O)c1 1786983364 PHVIOOYXBGSPOZ-ZVZYQTTQSA-N 410.239 -0.937 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C(Cl)Cl)C[C@@H]21)[C@H](O)N1CCOCC1 1788655743 PEZNPRPQYLGIIU-YWDSYVAPSA-N 410.298 -0.580 50 20 HBGD CCC(=O)N[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796189863 JVOGMVRGERKKOB-SJWGOKEGSA-N 401.272 -0.467 50 20 HBGD CCC(=O)N[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796189864 JVOGMVRGERKKOB-VDNDLQMASA-N 401.272 -0.467 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)C(O)O)CC1 1828923251 AFOMRIOUOXBTGZ-HNNXBMFYSA-N 405.455 -0.771 50 20 HBGD CCc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)n[nH]1 1830722459 BWZDPODWVQRWIV-YOEHRIQHSA-N 400.863 -0.358 50 20 HBGD COC(OC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1831040700 GGNZODVHRWJZKU-IAQYHMDHSA-N 409.277 -0.155 50 20 HBGD O=C1NC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)CCBr)C3)C2)O1 1831568327 AUEQUVMEYGPHDE-NHYWBVRUSA-N 420.260 -0.664 50 20 HBGD CN[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1)C(=O)O 1835766898 YIVHOUGKKDBSPL-BMIGLBTASA-N 412.270 -0.691 50 20 HBGD O=C([C@H](O)CCl)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@H]3C=CS[C@@H]31)CCO2 1839694703 RIOTWYOOVQASQK-MAKQCAJESA-N 402.900 -0.082 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccnc3)C2)C1 1840150451 MJSHXCDHNPDVCA-YOEHRIQHSA-N 400.863 -0.407 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)CN1CCOC1=O)C2 1843415291 IVCPSJSGTFQJFO-FYJGNVAPSA-N 416.438 -0.224 50 20 HBGD COc1cccc(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2ccc(B(O)O)cc2)n1 1848155371 GVLYMUOCPARJRZ-ROUUACIJSA-N 409.251 -0.172 50 20 HBGD CN(C)S(=O)(=O)c1cc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)ccc1Cl 16786039 BVBXSJKESNRCFV-JTQLQIEISA-N 423.900 -0.214 50 20 HBGD C[C@H](C(=O)NNC(=O)COc1ccc(C#N)cc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 746094952 VXEOABXTGXYDHT-ZPWNPBNNSA-N 412.402 -0.365 50 20 HBGD NS(=O)(=O)c1ccc(OCC(=O)OCC(=O)NNC(=O)c2ccccc2)cc1 750169877 ITYJFXWONRHMNP-UHFFFAOYSA-N 407.404 -0.283 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2ccc3c(c2)oc(=O)n3C)n(C)c1=O 754963975 GNAWKLIXMHYNKN-UHFFFAOYSA-N 411.378 -0.971 50 20 HBGD COCCNC(=O)Cn1cc(NC(=O)NNC(=O)c2ccc3c(c2)OCCO3)cn1 756843696 HMSCXTLDYDDARC-UHFFFAOYSA-N 418.410 -0.117 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CN(C[C@H]1CCCO1)C(=O)OC(C)(C)C 758044934 AUOYNGARTFLCAT-NWDGAFQWSA-N 422.504 -0.512 50 20 HBGD O=C1CN(c2ccc(NC(=O)C(=O)NNC(=O)[C@H]3Cc4ccccc4O3)cn2)CCN1 764151958 AZNWKJGXMSVHCK-OAHLLOKOSA-N 424.417 -0.893 50 20 HBGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(CN2CCOC2=O)c1 764399864 MSRXCOGZFSZUCJ-LBPRGKRZSA-N 408.411 -0.224 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CCC(=O)c2cccs2)n(C)c1=O 765729893 ITJVKGGJXGQFQV-UHFFFAOYSA-N 418.435 -0.694 50 20 HBGD C[C@H](NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)c1ncn(C)n1 780700687 PZWUUXNGINHOHB-LBPRGKRZSA-N 423.503 -0.467 50 20 HBGD CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NN=c1cc[nH]cc1 783379099 USDRYFZHQCZERP-UHFFFAOYSA-N 406.468 -0.098 50 20 HBGD Cn1nc(SCC(=O)NN=C2CCOC[C@H]2CN2CCCCC2)c(=O)n(C)c1=O 787151341 BIUHCFWEGDSLKE-CYBMUJFWSA-N 424.527 -0.434 50 20 HBGD CO[C@@H](C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)C1CC1 792238008 PJNCSNCHTYSMMY-GOSISDBHSA-N 424.523 -0.126 50 20 HBGD CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1cccc(N2CCC2=O)c1 794920558 NZUIAKDPMCETIC-UHFFFAOYSA-N 423.433 -0.289 50 20 HBGD Cn1nc(SCC(=O)NN=C2CC(C(=O)O)(c3ccccc3)C2)c(=O)n(C)c1=O 814785367 RKPBQBZGFDWEQX-UHFFFAOYSA-N 417.447 -0.140 50 20 HBGD NC(=O)CSCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 915261373 LPYFHMSBPSBVFS-UHFFFAOYSA-N 400.482 -0.549 50 20 HBGD O=C(NNC(=O)c1cncc(I)c1)N[C@H]1CCS(=O)(=O)C1 1319607878 OLBZOEDGVVSKCS-VIFPVBQESA-N 424.220 -0.183 50 20 HBGD Cc1nccnc1C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1779785338 PFNRDBPFXAHVSH-LJQANCHMSA-N 404.471 -0.398 50 20 HBGD C[Si](C)(C)OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]2C1 1786801204 PTYIFBIPXHBFHQ-AJNGGQMLSA-N 414.579 -0.590 50 20 HBGD CCNC(=S)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](Cl)COC)C2 1800186950 YJTSLNDSKZAKFX-OPDFLTKYSA-N 406.936 -0.686 50 20 HBGD CCO/C=C/C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1801187547 ZTSDTRSCXUJGRK-HJAOZXKASA-N 403.439 -0.562 50 20 HBGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(N)=O)C2)C1 1830545807 NCLUPCZWWUTAIB-NHYWBVRUSA-N 421.292 -0.858 50 20 HBGD CCn1nc(C)cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830724242 WWUQIWGFQNDABA-MAUKXSAKSA-N 414.890 -0.119 50 20 HBGD O=C(CCc1cnc[nH]1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1832805074 LYQDHQJROAEFHZ-RHSMWYFYSA-N 400.863 -0.602 50 20 HBGD O=C1CC[C@@H](C(=O)N2CCC(N3CCC(NC(=O)[C@@H](O)CCl)CC3)CC2)N1 1833309447 VJRMIYWYMHCXTO-GJZGRUSLSA-N 400.907 -0.564 50 20 HBGD COC(=O)NCC(=O)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836720321 PDFYSLZBDNJHHV-CQSZACIVSA-N 405.879 -0.059 50 20 HBGD O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837440423 INPWVEMQKXMONQ-OYABHWKLSA-N 416.906 -0.486 50 20 HBGD O=C(COCCO)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1839194445 KKHHTRXZKHGENR-OCCSQVGLSA-N 413.240 -0.858 50 20 HBGD C[C@@H](CS(C)(=O)=O)C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844263427 DSNWLIGDEGPTHT-LBPRGKRZSA-N 423.495 -0.817 50 20 HBGD O=C(CNC(=O)c1ccc(O)cc1)NNC(=O)c1csc(N2CCOCC2)n1 727483104 GZLHXGLHZGGZKS-UHFFFAOYSA-N 405.436 -0.124 50 20 HBGD Cn1cc(C(=O)NNS(=O)(=O)c2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)cn1 735461034 FSUIMLVXXBVJRK-SNVBAGLBSA-N 407.408 -0.519 50 20 HBGD CN(C)c1ncc(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)n1C 751807498 RZQDBDGZTRCYJC-UHFFFAOYSA-N 423.499 -0.119 50 20 HBGD COc1ccc(NCC(=O)NNC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)cc1 754416870 MWVVLEHNMOMMRC-UHFFFAOYSA-N 420.447 -0.173 50 20 HBGD Cc1c(C#N)cccc1NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 757732018 DGYBBVXTPCEZTO-UHFFFAOYSA-N 410.394 -0.533 50 20 HBGD CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NNC(=O)c1ccncc1 763463770 IQBXWGULXSZBOI-UHFFFAOYSA-N 417.447 -0.318 50 20 HBGD COc1cc(N2CCN(CC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)CC2)ncn1 763940637 LJBJCBROCASTPW-UHFFFAOYSA-N 415.410 -0.023 50 20 HBGD Cc1cc([N+](=O)[O-])ccc1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765727493 JQKGOWUOTWOCGD-UHFFFAOYSA-N 415.366 -0.888 50 20 HBGD O=C(CNC(=O)c1ccncc1)NNc1ccccc1S(=O)(=O)N1CCOCC1 769585061 ZMQQTVQTKVIYEK-UHFFFAOYSA-N 419.463 -0.024 50 20 HBGD COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NNC(=O)c2c[nH]nc2C)C1=O 771467364 DORRKPOLCMCPBQ-SFHVURJKSA-N 400.395 -0.045 50 20 HBGD COC(=O)c1cc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)on1 781278062 IIRFNKKCMPRQDE-CYBMUJFWSA-N 405.319 -0.395 50 20 HBGD O=S(=O)(NCC(F)(F)F)c1ccc(S(=O)(=O)N2CC[C@H](B(O)O)C2)cc1 864230859 FVEYTEGNIYZXNC-VIFPVBQESA-N 416.208 -0.235 50 20 HBGD O=C(CN1CCCC1=O)NN=Cc1ccc(C=NNC(=O)CN2CCCC2=O)cc1 916359210 OYDZGFSNDPLENV-UHFFFAOYSA-N 412.450 -0.168 50 20 HBGD O=C(Cn1cc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cn1)NC1CCCCC1 1318873071 QJTBXXOZDJVILT-GFCCVEGCSA-N 411.484 -0.472 50 20 HBGD Cn1cc(C(=O)NNC(=O)NCCCCN2CCN(c3ncccn3)CC2)cn1 1328685700 AXACEXVGLSSZHC-UHFFFAOYSA-N 401.475 -0.244 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1783874126 YMXBVEYLLOKVOO-CJNGLKHVSA-N 415.834 -0.125 50 20 HBGD C[C@@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=N)N)C[C@@H]21 1783967741 KJIACLJMDPIBTG-BJDJZHNGSA-N 404.309 -0.520 50 20 HBGD C[C@H](CS(C)(=O)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1784513470 DWISBXBPFVBGOK-QMVSFRDZSA-N 410.920 -0.754 50 20 HBGD COC1(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)CCC1 1784865095 IWYAYVCCQRCMIN-NRFANRHFSA-N 416.283 -0.231 50 20 HBGD O=C1C[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](F)Br)C[C@@H]32)CN1 1790859940 MKFSJODJDLWFQQ-XGZQDADWSA-N 406.252 -0.207 50 20 HBGD CN1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCBr)CC1 1795114448 KQRPROCMKIMZAF-XOIINTDNSA-N 417.348 -0.392 50 20 HBGD CC[C@H](NC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Br 1799347613 RCKSXHVZQYIRRX-SSRBZLIGSA-N 409.256 -0.287 50 20 HBGD Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)no1 1801012311 UTRMLPOSEPMFKQ-HBCWATKFSA-N 407.471 -0.512 50 20 HBGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccccn1 1801466774 CSIPQCAEGKWHGR-REGYPHIPSA-N 423.278 -0.232 50 20 HBGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)[C@@H]1C=CCN1 1808215246 OKRLWFBRZNDYOX-YSIASYRMSA-N 420.278 -0.391 50 20 HBGD COC(=O)NCC(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809972742 PAKLBCNGQKFLTD-UHFFFAOYSA-N 417.271 -0.433 50 20 HBGD O=C(Cn1cnnn1)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1817615996 NGXYXNIQICXXEX-OAHLLOKOSA-N 424.230 -0.918 50 20 HBGD O=C(c1cc(=O)cco1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830725631 QQABRHFJMMRKSV-SUMWQHHRSA-N 400.815 -0.691 50 20 HBGD COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)ccn1 1830730672 BWTQSHQGVRDDID-KDOFPFPSSA-N 413.858 -0.240 50 20 HBGD O=C1CC[C@H](C(=O)N2CCC(N3CCC(NC(=O)[C@@H](O)CCl)CC3)CC2)CN1 1833306028 JUAYITVCQFJEKR-BBRMVZONSA-N 414.934 -0.316 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc(C)cn3)CCO2)C1 1836202047 HYPKBAPLURRJGO-CRAIPNDOSA-N 414.890 -0.098 50 20 HBGD O=C1CC[C@@H](C(=O)N2CCC(OC3CCN(C(=O)[C@H](O)CCl)CC3)CC2)N1 1836716647 HHGCQDAGQRQVSQ-LSDHHAIUSA-N 401.891 -0.137 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCS(C)(=O)=O)C2)C1 1839148988 PMZVVHIEOCDDGU-BBRMVZONSA-N 410.920 -0.105 50 20 HBGD CC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1839860440 VUWMBKWYGLCOGV-CVEARBPZSA-N 410.298 -0.185 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCn3ccnn3)C2)C1 1840155831 DHIPVFCGYSUOJU-RHSMWYFYSA-N 415.878 -0.622 50 20 HBGD C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840167585 ZWUHGTKXJWKWEY-OAQYLSRUSA-N 414.267 -0.760 50 20 HBGD O=C(c1ccc2nncn2c1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011467 GWHIEQRILAYAOF-UHFFFAOYSA-N 405.223 -0.460 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)CCN2CCOC2=O)C1 1843857389 OBHGWDKNPIEPQR-UHFFFAOYSA-N 416.438 -0.656 50 20 HBGD COc1ccc(C(=O)NNC(=O)CNS(=O)(=O)c2cn(C)c(C)n2)cc1OC 116610004 PYRWZKAQHNSXHX-UHFFFAOYSA-N 411.440 -0.515 50 20 HBGD COc1ccccc1C(=O)NNC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 731491728 TVFPUGDAPANGJI-UHFFFAOYSA-N 400.395 -0.706 50 20 HBGD Cc1nc2ccccn2c1C(=O)NNC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 734685998 JJTRFHFQNZHTJV-MRXNPFEDSA-N 415.498 -0.007 50 20 HBGD CC[C@@H](C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1)N1CCCC1=O 743419883 OXBMNCCDMCDUHA-AWEZNQCLSA-N 424.527 -0.138 50 20 HBGD CC(C)(C)OC(=O)N1CCN(CCNC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)CC1 744894849 CHIIHHNQBTZQAJ-KRWDZBQOSA-N 419.548 -0.080 50 20 HBGD Cc1nnc2n1C[C@@H](C(=O)OCC(=O)NNC(=O)[C@@H]1COc3ccccc3O1)CC2 750671415 CAADRHXGFZOYEL-WFASDCNBSA-N 415.406 -0.320 50 20 HBGD CC[C@H](NC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1)C(=O)N1CCOCC1 753055253 CJUZSVJENNJBMK-AWEZNQCLSA-N 412.468 -0.329 50 20 HBGD O=C(NNC(=O)c1ccc2c(c1)OCO2)Nc1ccn(CC(=O)N2CCOCC2)n1 756660028 RFTGHXYBNZYTSV-UHFFFAOYSA-N 416.394 -0.063 50 20 HBGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2ccc(S(N)(=O)=O)cc2)n1 760957188 KRESGDXGNMJWAY-UHFFFAOYSA-N 412.449 -0.354 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc3c(F)cccc3[nH]2)n(C)c1=O 766639879 RLCUSULBBDCCTG-UHFFFAOYSA-N 413.369 -0.485 50 20 HBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccc(OC)c(OC)c1 771971103 VLBLKWFHOADXKN-SNVBAGLBSA-N 417.440 -0.529 50 20 HBGD CNS(=O)(=O)c1cccc(CNC(=O)NNC(=O)CNC(=O)OC(C)(C)C)c1 778602962 BOLNWYBYUUZLII-UHFFFAOYSA-N 415.472 -0.050 50 20 HBGD Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)C(=O)NNC(=O)[C@H]1COCCO1 789739724 PZJPRGHUQOZXLH-CYBMUJFWSA-N 409.349 -0.133 50 20 HBGD CCN(CC)C(=O)CN1CCN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1 795320652 URTOXSAQSPDFKM-UHFFFAOYSA-N 420.470 -0.158 50 20 HBGD COc1ccc(CS(C)(=O)=O)cc1NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 806634551 JRNQDSHLHAJTRG-VIFPVBQESA-N 422.485 -0.670 50 20 HBGD Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)C2=O 919888226 AZZKRDFOSYRNSZ-GHMZBOCLSA-N 408.436 -0.503 50 20 HBGD CN1CCN(C2(C(=O)N3CC[C@@]4(CN(C(=O)[C@@H](O)CCl)CCO4)C3)CC2)CC1 1781106362 QAINKRXQCGBTMC-MAUKXSAKSA-N 414.934 -0.804 50 20 HBGD CCN(C)[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1782609766 DFMIVVGOSOBUCJ-YWZLYKJASA-N 403.288 -0.850 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)CC(F)(F)C(=O)O)CCO2 1783934964 NXHABUVZVJZEIL-INIZCTEOSA-N 420.413 -0.701 50 20 HBGD C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)n1cccc1 1784329593 MEXVJOALVCEROR-IERDGZPVSA-N 411.267 -0.127 50 20 HBGD O=C(Cc1ccccn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1787110696 HREOSLHHSWEGPM-VDGAXYAQSA-N 423.278 -0.403 50 20 HBGD COC[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1793437883 JWWKVKVJEYMNDS-RMTJUBHUSA-N 419.482 -0.008 50 20 HBGD O=C(CCc1ccco1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1794125977 YQLRDSCHZMXANM-CWPLJXCYSA-N 412.251 -0.205 50 20 HBGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)CN 1796342443 ATDALBQTAMNXFH-STNLWOQDSA-N 419.432 -0.253 50 20 HBGD O=C1NCCCn2nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@@H](F)Cl)cc21 1796366158 HYTNXIMZJHYERV-RDBQEKCUSA-N 413.837 -0.246 50 20 HBGD CC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797753230 ZXGFXSRHEFLKKI-JLUCKKNBSA-N 409.874 -0.094 50 20 HBGD Cn1c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnccc2C(=O)NN)cccc1=O 1798440676 ISRJEMOGSMPOMA-BTTYYORXSA-N 424.461 -0.051 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)ccc1O 1799795794 XMFPSNAAPWXJJF-DBWKPXFBSA-N 420.466 -0.326 50 20 HBGD C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCC(=O)NN(C)C 1802334156 JAFCXDGKYYPJMF-XQLPTFJDSA-N 416.544 -0.322 50 20 HBGD O=C(Cn1ccnn1)N1CCCC2(CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1 1810208134 WIMVXZMUSMJGQA-UHFFFAOYSA-N 411.271 -0.497 50 20 HBGD N=C1NCCN1CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](O)CCl)CC2 1814916245 QBSDXGOPXLQBCW-WCBMZHEXSA-N 400.892 -0.505 50 20 HBGD CN[C@H](CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](O)CCl)CC2)C(=O)O 1815072927 MHGNKUGXSNVGCL-SFGNSQDASA-N 404.876 -0.283 50 20 HBGD CC(=O)NCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827060746 ZVFXWBCUXLJPAO-LJQANCHMSA-N 415.299 -0.264 50 20 HBGD CC(C)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)CC[C@H](N)C(N)=O)C2)C1 1830359369 OHYSEGRXGSTPKX-UGSOOPFHSA-N 418.922 -0.699 50 20 HBGD CN(C)C(=O)NCC(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833306653 VSFATXOTPPCTOV-HNNXBMFYSA-N 417.938 -0.571 50 20 HBGD O=C1CC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)N1 1835124627 KSFJQHWEVLPKTD-ITDIGPHOSA-N 422.251 -0.588 50 20 HBGD CC(C)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCO2)C1 1839076208 HCNFFNNVIHUGDH-DEYYWGMASA-N 403.907 -0.569 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1840182508 KLVAWEHNSOXBCW-FQEVSTJZSA-N 406.483 -0.771 50 20 HBGD CC(C)OCC(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840182712 ITQFMBGKSSMJKJ-LJQANCHMSA-N 414.503 -0.759 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185807 XSMLYGWJAAHPPN-KDOFPFPSSA-N 418.922 -0.167 50 20 HBGD C[C@H](Cn1ccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840428146 CHCRKDSTEBLICJ-VKJFTORMSA-N 414.890 -0.425 50 20 HBGD O=C(NNC(=O)c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1)C(=O)NC1CC1 10215290 HBNWYRPJFCTSBF-UHFFFAOYSA-N 407.386 -0.281 50 20 HBGD O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)NNc1ccc(-n2cccn2)nn1 732473813 BREVYCUKZIEMKR-ZDUSSCGKSA-N 424.487 -0.223 50 20 HBGD CC(=O)N1CCN(C(=O)CCNC(=O)NNC(=O)COc2ccc(C)cc2)CC1 737064972 LZTUPVKKRODNKA-UHFFFAOYSA-N 405.455 -0.215 50 20 HBGD O=C(NNC(=O)[C@@H]1CC(=O)N(CCOc2ccccc2Cl)C1)C(=O)NC1CC1 751562239 IFPXCUVUGGKWMZ-LLVKDONJSA-N 408.842 -0.007 50 20 HBGD Cc1cccnc1C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 752241183 UXHAPBCKPJCMHP-NSHDSACASA-N 405.436 -0.383 50 20 HBGD NC(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)[C@H]1COCCO1 760166167 FJNUUEZXWLXMTL-ZIAGYGMSSA-N 408.411 -0.890 50 20 HBGD C[C@H](O)c1cn(CC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)nn1 763010572 AEBFOACOKCJCTG-HNNXBMFYSA-N 401.471 -0.309 50 20 HBGD Cc1noc(CCC(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)n1 766653320 QCFZOIXAHMSQDR-UHFFFAOYSA-N 400.439 -0.084 50 20 HBGD COc1cc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)ccc1[N+](=O)[O-] 770613861 AXRSVAMDZKMNIZ-UHFFFAOYSA-N 415.366 -0.499 50 20 HBGD COC(=O)CNC(=O)NNS(=O)(=O)c1ccc(OCCCC(=O)O)c(C)c1 779843740 CSSHDHMMJZROSQ-UHFFFAOYSA-N 403.413 -0.096 50 20 HBGD CCCCNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)COC)c1 799834856 JNNDXHDXTLVSNZ-UHFFFAOYSA-N 400.457 -0.194 50 20 HBGD NS(=O)(=O)C1CCN(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)CC1 799984461 ZKCGXOBKZVTESH-UHFFFAOYSA-N 413.456 -0.594 50 20 HBGD O=C(CC1CC1)NNC(=O)C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 806977619 RFWQODFWBDQMBU-UONOGXRCSA-N 400.435 -0.031 50 20 HBGD CCCNS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)c2cnn(C)c2)cc1 808093296 KYOIGNHFMBERGC-UHFFFAOYSA-N 401.470 -0.268 50 20 HBGD Cc1csc(CC(=O)NNC(=O)CN2CCC(N(C)S(C)(=O)=O)CC2)n1 1322837676 QZWFSZUKWPNEHU-UHFFFAOYSA-N 403.530 -0.503 50 20 HBGD CCNC(=S)NCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](Cl)COC)CCO2 1782647466 VXMMUAAZFXTVMR-LRDDRELGSA-N 406.936 -0.446 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(=O)n3O)[C@H]2C1 1785634695 MKUDCCJXXZDSPZ-XPCVCDNBSA-N 413.858 -0.067 50 20 HBGD CN(C)CC(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807371067 PARSCUYNRUEILY-FXAWDEMLSA-N 410.283 -0.357 50 20 HBGD CN(C)CC(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819796119 ZQJSJXOGBHKMNV-JTQLQIEISA-N 417.495 -0.071 50 20 HBGD CNC(=O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839199722 ZXFYRVYNBHPROD-OCCSQVGLSA-N 410.240 -0.731 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccnc3C)CCO2)C1 1839716988 MLALTJNQTYJXFS-QAPCUYQASA-N 414.890 -0.098 50 20 HBGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(N)=O)C2)C1 1839967148 CCTNKTJRNXXQSY-XHDPSFHLSA-N 421.292 -0.715 50 20 HBGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840039669 CKRWDBRPROOVGN-WBMJQRKESA-N 417.256 -0.438 50 20 HBGD O=C(CN1CCSCC1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843012682 FPBMGSOZGJUKAI-UHFFFAOYSA-N 403.313 -0.768 50 20 HBGD C[C@@H](C(=O)N1CC2(CCCN2C(=O)CCC(=O)NN(C)C)C1)n1ccccc1=O 1846385314 PGVZCYQJUXMNJI-HNNXBMFYSA-N 403.483 -0.014 50 20 HBGD COc1ccccc1OCC(=O)NNC(=O)CNS(=O)(=O)c1cn(C)c(C)n1 725878353 TWMWRLQKOVVMAT-UHFFFAOYSA-N 411.440 -0.758 50 20 HBGD Cc1cc(C(=O)NNC(=O)COc2ccccc2O)nc2c1c(=O)n(C)c(=O)n2C 737844048 KGWBDSWDOVJXKI-UHFFFAOYSA-N 413.390 -0.514 50 20 HBGD O=C(CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)c1cccc([N+](=O)[O-])c1 742462981 JFIPNOBVHDRVBP-GBOPCIDUSA-N 402.363 -0.092 50 20 HBGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 744562513 LXJCANDQTJUKAE-LBTBCDHLSA-N 422.397 -0.330 50 20 HBGD CS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)cc1 751280159 PIIXIBYCEPHBDE-UHFFFAOYSA-N 417.490 -0.109 50 20 HBGD CCOc1ccc(S(=O)(=O)NCCC(=O)NNc2ccc(C(N)=O)nn2)cc1 757406599 DJPVUTFTXPBWML-UHFFFAOYSA-N 408.440 -0.214 50 20 HBGD CN(C)c1ccc2c(c1)NC(=O)C2=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O 761785713 KJRYHASYEPCXQB-UHFFFAOYSA-N 417.451 -0.890 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2ccn(C)n2)cc1 763732516 FTBMYVFAJWLIIO-UHFFFAOYSA-N 408.440 -0.865 50 20 HBGD C[C@H](NC(=S)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1 764515978 QWAIRISKJVBYAJ-NSHDSACASA-N 415.479 -0.310 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cccc(Cl)c2O)n(C)c1=O 775780811 QTNDZMYZBCQFFZ-UHFFFAOYSA-N 406.786 -0.746 50 20 HBGD COC(=O)Cn1ncc(NC(=O)C(=O)NNC(=O)COc2ccccc2OC)c1C 796992374 PAHIDJSJKLYVRL-UHFFFAOYSA-N 419.394 -0.462 50 20 HBGD Cn1nc(SCC(=O)NN=Cc2ncc(Br)s2)c(=O)n(C)c1=O 814785522 VFNXIGHLOWXSRN-UHFFFAOYSA-N 419.286 -0.060 50 20 HBGD COc1ccc(NCC(=O)NNC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)cc1 837302586 YDQGKFBHSYXCJC-UHFFFAOYSA-N 405.436 -0.248 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNC(=O)c2ccncc2)c1 916556934 HBXGQMHXUQGHQT-UHFFFAOYSA-N 405.436 -0.477 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc(Cl)cc2O)n(C)c1=O 918357935 QIYSWZNJEWSCQD-UHFFFAOYSA-N 406.786 -0.746 50 20 HBGD C[C@@]1(NNC(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)CCS(=O)(=O)C1 1116249258 KWTAESQQKCVWOF-LLVKDONJSA-N 422.451 -0.319 50 20 HBGD CSCCNC(=S)NNC(=O)c1ccc(S(=O)(=O)NC[C@H](C)O)cc1 1335808100 ILPKGPYFNHQIPX-JTQLQIEISA-N 406.555 -0.182 50 20 HBGD CS(=O)(=O)N1CC[C@H](CNC(=O)NNC(=O)CNC(=O)c2cccs2)C1 1341060691 LQIDXOABKOVZJE-SNVBAGLBSA-N 403.486 -0.910 50 20 HBGD C[Si](C)(C)OCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](N)CCC(N)=O)CCO2 1779296627 XRUOJUYCSLEXDI-GUYCJALGSA-N 400.552 -0.739 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CNC(=O)C1)C2 1782213475 VCUFBXVECBHPSW-STXHMFSFSA-N 423.514 -0.991 50 20 HBGD O=C(Cn1ccncc1=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1782665347 CABQNOCNKDAPST-DZGCQCFKSA-N 417.235 -0.236 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C(F)(F)Cl)C[C@@H]21)c1ccc(B(O)O)cc1 1786982921 CPUZUGSIPURDLB-UBHSHLNASA-N 416.617 -0.209 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(O)n1 1794763698 UYYFSXUTLAOIGH-IVWMJMPLSA-N 405.455 -0.637 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncccc1F)C2)c1cccc(B(O)O)c1 1795740240 IVMMRIZCDNJDEF-XOIINTDNSA-N 413.214 -0.583 50 20 HBGD NC(=O)CC[C@H](N)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](O)CCl)CC1 1824181757 LMUKVRMUYCPEBZ-RRFJBIMHSA-N 402.923 -0.201 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)N(C)C)CCO2)C1 1830047536 YXIQHMIWELKVJL-DYVFJYSZSA-N 404.895 -0.269 50 20 HBGD C[C@@H](NC=O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1830327251 UKJMJNLAKIJHAY-BEFAXECRSA-N 415.299 -0.266 50 20 HBGD CN1CCN(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Cl)C3)C2)CC1 1835403848 WACLQEZKLHOIJZ-SJLPKXTDSA-N 420.913 -0.385 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cncn3)C2)C1 1837711974 YIQUNVGLVCDPSW-KRWDZBQOSA-N 411.535 -0.414 50 20 HBGD CCNC(=S)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](Cl)CC)C2)C1 1839655250 NPANMSQLTZOKNS-GUYCJALGSA-N 420.963 -0.056 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccno3)C2)C1 1840183573 MRWIKSBZSLWQRN-SFHVURJKSA-N 409.443 -0.882 50 20 HBGD COCCNS(=O)(=O)c1cccc(C(=O)NNC(=O)CNC(=O)c2ccco2)c1 725741769 VEEBEGBYWBXBST-UHFFFAOYSA-N 424.435 -0.605 50 20 HBGD O=C(C[C@H](C(=O)NNC1=N[C@H]2C=C[C@H]1C2)N1CCOCC1)NNC1=N[C@H]2C=C[C@H]1C2 741766935 QMPHJILOYVSVPM-UVPYHEFZSA-N 413.482 -0.968 50 20 HBGD CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NNC(=O)NCC2CC2)s1 746167099 OJQTUQJCVLYBKU-UHFFFAOYSA-N 403.486 -0.597 50 20 HBGD CC(C)NC(=O)C(=O)NNS(=O)(=O)c1ccc(C(=O)O)c(Br)c1 747603060 VVHOVKJXGFMXMW-UHFFFAOYSA-N 408.230 -0.019 50 20 HBGD Cc1ccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1NS(C)(=O)=O 756515071 DBVVRTMOAGIWIW-VIFPVBQESA-N 407.474 -0.543 50 20 HBGD O=C(Cn1cc(NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cn1)NC1CC1 756795793 LUIALOSTDNEWHQ-UHFFFAOYSA-N 410.398 -0.396 50 20 HBGD Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NNC(=O)C(=O)NC(C)C)C1 757983701 BHAPRVYAZCNXTG-LBPRGKRZSA-N 415.472 -0.636 50 20 HBGD Cn1ncc2c(O)nc(NNC(=O)Cn3c(=O)ccn(Cc4ccccc4)c3=O)nc21 770974685 ZIGZSWHJQXCRIS-UHFFFAOYSA-N 422.405 -0.416 50 20 HBGD CC(C)[C@@H](C(=O)NNC(=O)C1CCN(c2ncccn2)CC1)N1CCCS1(=O)=O 772688584 RDVOWDMQCFHCEB-HNNXBMFYSA-N 424.527 -0.100 50 20 HBGD O=C(COC(=O)c1cccc(-n2cnnn2)c1)NNC(=O)[C@H]1COc2ccccc2O1 775908461 VSYFTFDIKHPYMU-MRXNPFEDSA-N 424.373 -0.194 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3cccnn3)CCO2)C1 1779032739 XHMQBZYPUKZIIC-LJQANCHMSA-N 411.422 -0.768 50 20 HBGD CN[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1)C(=O)O 1781331458 QNCZKQQZMWSBTJ-OLUVUFQESA-N 410.240 -0.431 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)CSCC(=O)OC)CCO2)C1 1783870974 KVDAQLFOCOKIBN-BLLLJJGKSA-N 408.904 -0.024 50 20 HBGD C[C@H](Cn1ccnc1)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783937044 DXFUUULVFOWWKR-OXQOHEQNSA-N 420.514 -0.278 50 20 HBGD O=C(CCc1cnccn1)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1784558527 LXSUDTBAPRLUOJ-OAQYLSRUSA-N 424.266 -0.767 50 20 HBGD CO/C=C(\C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984028 KNAIXYFVEIJLQQ-LTAJHLDZSA-N 402.256 -0.490 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(O)cc3)C[C@@H]21)c1cccc(B(O)O)c1 1786984915 YEAUHMPNZMDDGA-VDGAXYAQSA-N 424.262 -0.021 50 20 HBGD CN[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CBr)C(=O)O 1792867403 ABPWQGZOCGZFQH-HNRZYHPDSA-N 420.304 -0.330 50 20 HBGD CSCC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1793405848 WUFVDQAMDAZTAA-SCAQPMJSSA-N 420.340 -0.041 50 20 HBGD O=C(CCc1ccccn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1794198125 OBZBJPNBOACSOG-UPHUGPLXSA-N 423.278 -0.403 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nc2ncccn2n1 1797479932 WZCHJKVKXAXQHD-BTTYYORXSA-N 414.470 -0.251 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2nc[nH]n2)[C@@H]1c1cccnc1 1813069911 BPBJYCIELTYBNF-RHSMWYFYSA-N 414.470 -0.108 50 20 HBGD O=C(CN(CCO)CCO)N1CCC([C@H]2CCCCN2C(=O)[C@@H](O)CCl)CC1 1824185820 LFVGXJBFIRLRAJ-SJORKVTESA-N 419.950 -0.508 50 20 HBGD CN(CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](O)CCl)CC1)C(=O)C(=O)O 1831160312 GIYAMPKGNZRPAP-ZIAGYGMSSA-N 417.890 -0.251 50 20 HBGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)n[nH]3)CCO2)C1 1835859053 NEENYUBHPJWPLU-ZUZCIYMTSA-N 417.260 -0.031 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cccn3)CCO2)C1 1836174050 LKNSPEDOYZFCJX-YOEHRIQHSA-N 400.863 -0.407 50 20 HBGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc[nH]n3)CCO2)C1 1836353697 GFBOOGSAGGNAAM-QMTHXVAHSA-N 402.249 -0.342 50 20 HBGD COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)nn1 1838346561 WFACZPQBFYYBJZ-DYVFJYSZSA-N 414.846 -0.845 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCC3=O)C2)C1 1840151757 NCDZRMRYFNXYRI-KSSFIOAISA-N 417.890 -0.681 50 20 HBGD Cc1ncoc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840183555 LXKPLOOYLZBLIH-LJQANCHMSA-N 423.470 -0.574 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2ccccc2C(N)=O)C1 1845401837 QHXJFONJUYWBBE-UHFFFAOYSA-N 401.467 -0.025 50 20 HBGD Cc1ccc(NCC(=O)NNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1 728203193 OGWRVJYMTPLSDH-ZFWWWQNUSA-N 408.480 -0.410 50 20 HBGD C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)C2=O 728374701 PMJZYEGQGRCXHV-UVWXRNBGSA-N 400.457 -0.931 50 20 HBGD CC[C@@H](C)NC(=O)CN1CCN(C(=O)NNC(=O)CNC(=O)c2cccs2)CC1 728952471 ZMKSAMOPTXZVGE-CYBMUJFWSA-N 424.527 -0.249 50 20 HBGD COC[C@H](C)CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 737064385 FUXPIPJSQDJMPH-CYBMUJFWSA-N 400.505 -0.074 50 20 HBGD Cc1noc(C)c1S(=O)(=O)N1CCN(CC(=O)NNC(=O)C(C)(C)C)CC1 744384800 PQYUOIGHYMWCLT-UHFFFAOYSA-N 401.489 -0.209 50 20 HBGD Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 746385647 HEKHPERUTGTLJQ-MRXNPFEDSA-N 404.467 -0.298 50 20 HBGD COc1cc(C)nc(NNC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)n1 746626133 XLOZFTAKKRLQKJ-NSHDSACASA-N 420.451 -0.063 50 20 HBGD O=C(NCc1ccc(C(=O)N2CCOCC2)cc1)NNC(=O)C(=O)N1CCCC1 748445959 VBLAZOATEKLUFH-UHFFFAOYSA-N 403.439 -0.388 50 20 HBGD CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 748530729 ZSQBCUOMFBGOOH-BMIGLBTASA-N 408.452 -0.147 50 20 HBGD C[C@@]1(CCC(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CCC(=O)N1 751520835 PWJKDYNPNUODPW-LIRRHRJNSA-N 405.407 -0.034 50 20 HBGD O=C(CNC(=O)c1c[nH]c2ccccc2c1=O)NNC(=O)C(=O)Nc1ccccn1 758831599 RIXFFGPUSBSTQE-UHFFFAOYSA-N 408.374 -0.561 50 20 HBGD COCC(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 764304250 XCNODCKTELLWSD-DEDYPNTBSA-N 411.440 -0.768 50 20 HBGD O=C(COc1ccccc1F)NNC(=O)NCCNS(=O)(=O)c1cccnc1 772973509 OWXHYNQCWVXDKA-UHFFFAOYSA-N 411.415 -0.092 50 20 HBGD COCCCS(=O)(=O)NCC(=O)NNc1ccccc1S(=O)(=O)N(C)C 795168726 STDNXZQWFVJOJW-UHFFFAOYSA-N 408.502 -0.664 50 20 HBGD COCCO[C@H]1C[C@H](CO)CN(CC(=O)NNC(=O)Cc2nc(C)cs2)C1 1320859275 QYGSUQJRXFHPQN-KBPBESRZSA-N 400.501 -0.513 50 20 HBGD Cc1cc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)n[nH]1 1780264558 VCATVXLDKMORKY-IBGZPJMESA-N 413.438 -0.526 50 20 HBGD C[C@@H](NC=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782211994 ALEZMKNYUGMOCV-SPYBWZPUSA-N 411.503 -0.992 50 20 HBGD COC(=O)C1(C(=O)N2CC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)CC1 1783218655 NNFNVSKNIPNUSB-SFHVURJKSA-N 410.471 -0.858 50 20 HBGD Cc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc(O)n1 1783934340 FAVOUUUDDGRGQD-FQEVSTJZSA-N 419.482 -0.088 50 20 HBGD C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)n1cccn1 1784520563 UPOSTZNTXZAYDP-MGPUTAFESA-N 412.255 -0.732 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cccs1 1794620707 OCBCPYYBRBWMRF-XOIINTDNSA-N 400.265 -0.055 50 20 HBGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C)N1C[C@H]2C[C@H]2C1 1801011355 IGLKXYAAGGFQKD-DRVJKLOYSA-N 421.542 -0.711 50 20 HBGD Cn1ncnc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817471230 TULIUMFVAHAPLM-HNNXBMFYSA-N 423.242 -0.162 50 20 HBGD CC(C)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1834796592 BPXZOTMJTCPMCI-HXUWFJFHSA-N 419.482 -0.199 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3nccn3)C2)C1 1839154126 CANGOIXKDWZKBT-CVEARBPZSA-N 420.297 -0.029 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](Cl)COC)CCO2 1840156291 PVXPHNNUTQJUAC-XEZPLFJOSA-N 413.298 -0.050 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCn3ccnn3)CCO2)C1 1840449248 IUXYIOCMFRSQMY-RHSMWYFYSA-N 415.878 -0.622 50 20 HBGD CC(C)NC(=O)C(=O)NNS(=O)(=O)c1ccc(Br)c(C(=O)O)c1 731059333 ODHUQMONPLLSLQ-UHFFFAOYSA-N 408.230 -0.019 50 20 HBGD O=C(NCCS(=O)(=O)NCC1CCC1)NNC(=O)[C@H]1COc2ccccc2O1 731685954 MVPPPWVDOSSLNQ-OAHLLOKOSA-N 412.468 -0.124 50 20 HBGD C#CCNS(=O)(=O)c1cccc(C(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)c1 732259243 AYZNYWGTFKHTOB-HUUCEWRRSA-N 422.507 -0.142 50 20 HBGD Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)NNC(=O)C(=O)N3CCCC3)cc12 742060482 VYFSTESFSZWVKR-JTQLQIEISA-N 406.468 -0.169 50 20 HBGD C[C@@H](C(=O)NNC(=O)COc1ccc(F)cc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 746095979 LCLJGLRAIDVWGV-LRZXTXFSSA-N 405.382 -0.097 50 20 HBGD COc1ccc(C(=O)NNC(=O)CN2CCC(C(=O)NCCO)CC2)cc1OC 749675611 VAUZYKJEFVGSPT-UHFFFAOYSA-N 408.455 -0.715 50 20 HBGD CCn1cc([N+](=O)[O-])c(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)n1 755564126 PJFQUCVFUMTTMG-ZDUSSCGKSA-N 419.350 -0.045 50 20 HBGD CS(=O)(=O)CCCC(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765736759 AJWFRZKNCYJUGF-UHFFFAOYSA-N 410.496 -0.583 50 20 HBGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)c3cn(C)c(=O)nc3O)CC2)cc1 766649443 PGVZXNMEDGEPCQ-UHFFFAOYSA-N 414.466 -0.627 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)NNC(=O)[C@H]1OCC[C@H]1c1ccccc1 789839741 MKHKHLKXJGSORO-BBRMVZONSA-N 415.406 -0.056 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Cc2cccc(C(F)F)c2)n(C)c1=O 790559052 OMSHCGAUJWGXLR-UHFFFAOYSA-N 420.376 -0.239 50 20 HBGD O=C(CN1CCC[C@H](n2cc(CO)nn2)C1)NNC(=O)c1ccc([N+](=O)[O-])cc1 815142670 XQWJGIYBSVPFPO-HNNXBMFYSA-N 403.399 -0.223 50 20 HBGD CCOC(C)(OCC)C(=O)NNC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 819727924 MPZBXRSMJIVTLE-OAHLLOKOSA-N 414.503 -0.364 50 20 HBGD CC1=C(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)CCO1 1779030018 DMRQZEOPKVTGOY-HXUWFJFHSA-N 415.450 -0.177 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2 1782210138 HIKOXCPLPNSPNV-PMUMKWKESA-N 418.922 -0.527 50 20 HBGD COc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)nn1 1783934445 ABLKUTNJDMAVPO-IBGZPJMESA-N 420.470 -0.698 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21)[C@@H](O)CCl 1784086143 VJEOYWHZYFHOHK-PYJNHQTQSA-N 415.834 -0.629 50 20 HBGD Cc1oncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1786119782 AKHKKLGEOXRGLL-BPUTZDHNSA-N 407.471 -0.051 50 20 HBGD C[C@H](Nc1cnccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1788622386 PSVALDPWCSZLIV-LXFSFDBISA-N 411.890 -0.144 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)c1cnn2c1OCCC2 1790369059 JSWDYQBUXSOGIB-MHEUCROKSA-N 412.874 -0.141 50 20 HBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)C(=O)c1ccccc1 1793227651 DBZMMPBOATUOBY-DFGXFYAUSA-N 423.897 -0.052 50 20 HBGD O=C(/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)NC1CC1 1796188859 VBGZEQGGXWZZJL-BZYLRBNYSA-N 411.267 -0.547 50 20 HBGD O=C(COc1cccnn1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796190586 OGVQJIXWSUOUKR-BJWYYQGGSA-N 410.239 -0.513 50 20 HBGD COc1ccnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)c1OC 1798765175 TUNJMYLNCHTTBU-OPDFLTKYSA-N 413.858 -0.098 50 20 HBGD C[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2)n1ccnn1 1801338176 NWCFPAIUVJHQIX-YIYPIFLZSA-N 412.454 -0.210 50 20 HBGD O=C(CN1CC(=O)NC1=O)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@H]1c1cccnc1 1804183691 RJQHUYPWRNKPAM-ZENOOKHLSA-N 423.857 -0.761 50 20 HBGD C[C@H](CN)C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807011852 QZGWHMKDZGLUFG-BJZITVGISA-N 410.283 -0.324 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H]1C1CC1)CCO2 1830505645 LKWJIDTYJPPTEJ-FVJLSDCUSA-N 422.526 -0.138 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCOCC3)CCO2)C1 1835397598 UHHICTBMNCRIKF-QAPCUYQASA-N 419.906 -0.971 50 20 HBGD C[C@H](CC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](F)Br)CCO2)C1 1839199010 QDDCKDYLEPFHKB-IFUGULHKSA-N 424.267 -0.355 50 20 HBGD C[C@H](CBr)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@H]1NC(=O)NC1=O 1847494289 NTJSTQGPLQAAQK-ZNSHCXBVSA-N 401.261 -0.183 50 20 HBGD Cn1ccnc1[C@@](O)(CC(=O)NNC(=O)CNC(=O)c1ccco1)C(F)(F)F 725740213 CWFUXZPDKHKDHW-AWEZNQCLSA-N 403.317 -0.270 50 20 HBGD COc1ccc(C)cc1N1C[C@H](C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)CC1=O 728386274 VKEXTSPPZWGQCX-QWHCGFSZSA-N 409.464 -0.061 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 729275353 NWPVUNJFGSBLER-MCIONIFRSA-N 412.512 -0.006 50 20 HBGD COc1ccccc1NCC(=O)NNC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 755678239 OHJLVBFFDOLUEF-NSHDSACASA-N 410.456 -0.645 50 20 HBGD CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NNC(=O)C3CCC3)c2)CC1 764334322 DAWBSMIFKYPFKV-UHFFFAOYSA-N 423.495 -0.491 50 20 HBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CN1C(=O)N[C@](C)(c2ccccc2OC)C1=O 772208848 XZRQXNUZHDFNFC-JEOXALJRSA-N 420.422 -0.049 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNS(=O)(=O)N2CC[C@H](C)C2)cc1 777913807 SSCMXEKOHHVYLL-ZDUSSCGKSA-N 404.514 -0.177 50 20 HBGD Cc1nc(Cn2cc(C(=O)OCC(=O)NNC(=O)Cc3ccccc3C)nn2)no1 787164605 RBUISQOSOPHVLC-UHFFFAOYSA-N 413.394 -0.127 50 20 HBGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)N=c2cc[nH]cc2)[C@H](C)O)cc1 802030688 NKCUHUIPPDXYJD-WFASDCNBSA-N 407.452 -0.307 50 20 HBGD O=C(CN1C(=O)C(F)(F)Oc2ccccc21)NNC(=O)[C@H]1CCS(=O)(=O)C1 814103078 WFECQJLXRGCPML-VIFPVBQESA-N 403.363 -0.413 50 20 HBGD CC(=O)N1CCC(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)CC1 1340588486 BHFRTUIMQPQNMM-UHFFFAOYSA-N 415.494 -0.150 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC=CO3)C2)C1 1778984734 HFDYQKDFYRVQOX-OXJNMPFZSA-N 415.450 -0.179 50 20 HBGD CC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(=O)n4[nH]nnc4n3)CCO2)C1 1781216859 CACUUIGEGWRTJE-HWPZZCPQSA-N 409.834 -0.727 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783938096 SVKXPBKKEXESNG-GUYCJALGSA-N 404.895 -0.557 50 20 HBGD Cc1nnc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)s1 1784089756 HRBFNVJWEZRTNN-RVMXOQNASA-N 402.904 -0.032 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3cn[nH]c3)[C@H]2C1 1785281129 WTZSWSNUUQHMRD-ULQDDVLXSA-N 420.514 -0.305 50 20 HBGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2)N1C[C@H]2C[C@H]2C1 1797637509 MENYWZOJVBFLKK-DRVJKLOYSA-N 421.542 -0.711 50 20 HBGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CNC(=O)O1)C2 1800640254 NPWXQUCQZGFUJO-CSYMLDBXSA-N 404.261 -0.142 50 20 HBGD O=C(NC[C@@H]1CCN(C(=O)c2ncon2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807360726 LWWMNTWUBVAERA-DOTOQJQBSA-N 421.222 -0.222 50 20 HBGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)[C@@H]1C=CCN1 1808216681 YCNWPNUKLBYUEN-HOJAQTOUSA-N 420.278 -0.391 50 20 HBGD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@H]1c1cccnc1)n1cnnn1 1813469731 KHPNMRUKXSFITD-BEAPCOKYSA-N 407.862 -0.065 50 20 HBGD C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)C1 1829673959 WOFDCFXDNBGNOI-FQEVSTJZSA-N 408.499 -0.218 50 20 HBGD COc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)nc1 1830727967 LNNRGXIKVNWFJP-MAUKXSAKSA-N 413.858 -0.240 50 20 HBGD COc1nn(C)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1833860383 JNNYCMBWGZGYNZ-GUYCJALGSA-N 416.862 -0.902 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835347664 BLXFBPCZMVTVPO-LJQANCHMSA-N 407.471 -0.880 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnccn3)C2)C1 1840150356 JRVNXZZKZSGCEJ-MAUKXSAKSA-N 412.874 -0.271 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCC(=O)NC1 1847321598 PKOPPPKCXXBAEL-YLJUOCOGSA-N 414.466 -0.152 50 20 HBGD CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2c[nH]nc2C)s1 746235467 XJBUMWURITYURO-UHFFFAOYSA-N 414.469 -0.845 50 20 HBGD C[C@H]1CN(CCC(=O)NNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)C[C@H](C)O1 751425596 KBUQJWIZMMLCRX-STQMWFEESA-N 411.484 -0.869 50 20 HBGD CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)NNC(=O)COc2ccc(C#N)cc2)C1=O 753016488 IWKFSTLZRRCQJD-YJYMSZOUSA-N 414.422 -0.012 50 20 HBGD CC(=O)N1CCCC[C@H]1C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 756239665 CJHRHHSCIAYYCS-BBRMVZONSA-N 405.407 -0.082 50 20 HBGD CC(C)Cn1cc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cn1 756802283 HVHGJFBULNTKSJ-UHFFFAOYSA-N 417.430 -0.861 50 20 HBGD COc1cccc(C[C@@H](C(=O)NNC(=O)C(=O)Nc2ccccn2)n2nnnc2C)c1 758841884 XVQUUYMVMPPYKP-HNNXBMFYSA-N 424.421 -0.045 50 20 HBGD CCCCN(C)c1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1 764229585 BEWNGJRDZDIDGH-LBPRGKRZSA-N 413.500 -0.054 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)C(=O)NCC(F)F)cc2)CC1 768091429 XAKSRLCASGWUGH-UHFFFAOYSA-N 405.427 -0.553 50 20 HBGD Cn1ncc2c(O)nc(NNC(=O)NC[C@]3(N4CCOCC4)CCSC3)nc21 770356657 RUBITULQVFRVSA-MRXNPFEDSA-N 408.488 -0.097 50 20 HBGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)Cn1cc([C@@H](C)O)nn1 777112496 FDIYGQXNWKPHGW-SECBINFHSA-N 411.802 -0.002 50 20 HBGD CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)NNC(=O)COc1ccccc1C#N 800746895 AYSABSGWEIZKGT-UONOGXRCSA-N 409.468 -0.015 50 20 HBGD CCCN(CC(=O)NNC(=O)c1ccc(OC)c(OC)c1)[C@H]1CC(=O)N(C)C1=O 801584109 AUQPBGKAVXFMFG-ZDUSSCGKSA-N 406.439 -0.066 50 20 HBGD COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)[C@H]1CCCO1 815778542 WSNLHXCJSYSMLT-CYBMUJFWSA-N 414.440 -0.790 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1C 880177028 OVBWDRPTCUZVKS-CYBMUJFWSA-N 417.509 -0.494 50 20 HBGD CCN=c1nc(NCC)n2c(SCC(=O)NNC(=O)c3ccc[nH]3)n[nH]c2n1 917391332 PWHSRCGVWVUMIH-UHFFFAOYSA-N 404.460 -0.314 50 20 HBGD CN(C)N(C(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1)[C@@H]1CCS(=O)(=O)C1 1322639216 UKYSLDVKGHGUOV-GFCCVEGCSA-N 421.497 -0.594 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccncc3)C2)C1 1780991390 ADDOPMRZNSQXCR-HXUWFJFHSA-N 403.483 -0.173 50 20 HBGD O=C(O)CSCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2 1782221789 WBFUOIJBHYIHJD-XHBSWPGZSA-N 408.904 -0.082 50 20 HBGD NC(=O)c1ncccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784087097 XYABEBVXQGGODP-DEQVHRJGSA-N 410.858 -0.627 50 20 HBGD CC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@@H]21 1789858853 RKLPAVLPCAUTPD-WJTVCTBASA-N 400.863 -0.418 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21)[C@H](F)Br 1789922472 KJKYDJRXYBTZHV-GMOBBJLQSA-N 405.228 -0.657 50 20 HBGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](COC)NC(C)=O)C[C@@H]21 1791255078 DOLPVLMVVFFTJQ-GVRJEKJASA-N 419.906 -0.629 50 20 HBGD Cc1cnc2c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@H](O)CCl)cnn2c1 1792981837 XLDYYFMFIUZTIR-AYRXBEOTSA-N 407.858 -0.159 50 20 HBGD O=C1CN(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H](F)Br)C3)C(=O)N1 1794086363 CYWUCNDEMOWCLO-JXVAYASWSA-N 405.224 -0.133 50 20 HBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)n1 1796358553 VXFCHQVIQUCXHN-WJZNIJOASA-N 400.819 -0.655 50 20 HBGD CNC(=S)NCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCC(=O)NN(C)C)C2 1798447248 BUJWAWUAQSVQIN-BTTYYORXSA-N 412.560 -0.518 50 20 HBGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](O)CCl)CC2)[C@H](O)N1CCOCC1 1819876862 KXONLZCRZPBJPL-VPJDZLOFSA-N 418.903 -0.695 50 20 HBGD CC(C)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1830365976 JXNGXOWMODAAJB-FZKQIMNGSA-N 401.891 -0.156 50 20 HBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CC(O)C3)CCO2)C1 1830588542 ZHWJMCCQFWAVRI-ITDKRANNSA-N 405.289 -0.003 50 20 HBGD NC[C@H](N)C(=O)NC1CCN(C2CCN(C(=O)[C@H](F)Br)CC2)CC1 1835068302 XTOFNBAZVKYSOZ-STQMWFEESA-N 408.316 -0.466 50 20 HBGD C[C@H](NC=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1839165083 XZVGXBVEBBNSGQ-YOEHRIQHSA-N 401.536 -0.571 50 20 HBGD CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NNC(=O)CNC(=O)c1ccco1 726277123 IPMJLZUTTUYAGT-ZDUSSCGKSA-N 408.459 -0.718 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1c(Cl)nc2sccn12 728510075 DPWKVXPMQQVXCG-RXMQYKEDSA-N 401.879 -0.704 50 20 HBGD CCN1C(=O)C(=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)c2cc(C)ccc21 730569923 BTNVUUVEGQWUFF-UHFFFAOYSA-N 416.463 -0.233 50 20 HBGD COC(=O)c1sc(S(=O)(=O)NNC(=O)c2cnn(C)c2)c(C(=O)OC)c1C 735461054 GBODURDRPODBRR-UHFFFAOYSA-N 416.437 -0.013 50 20 HBGD COc1ccc(C(=O)NCC(=O)NNC(=O)CNC(=O)c2cccnc2)cc1OC 763818331 HQXVWRUFARNFMP-UHFFFAOYSA-N 415.406 -0.594 50 20 HBGD COC(=O)[C@H](C)CS(=O)(=O)N1CCN(S(=O)(=O)CBr)CC1 767852420 ZYXIFHUFQIWQIB-SECBINFHSA-N 407.308 -0.575 50 20 HBGD COc1ccc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)cc1-n1cnnn1 776101563 JVOHQOSXYMBSQM-STQMWFEESA-N 403.443 -0.069 50 20 HBGD C#CCOc1cc(F)ccc1NC(=O)C(=O)NNC(=O)CNC(=O)c1ccco1 784003877 DBGWRRUOUBXWEL-UHFFFAOYSA-N 402.338 -0.053 50 20 HBGD Cc1cccc(C(=O)NNC(=O)COCC(=O)NNC(=O)c2cccc(C)n2)n1 794079832 FRDFMDILWHNFPG-UHFFFAOYSA-N 400.395 -0.668 50 20 HBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O 800055443 KLMKQYRMEYBZCU-QWRGUYRKSA-N 407.493 -0.441 50 20 HBGD CCNC(=O)NNC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 801140902 VVWVOKWYOFTRHY-UHFFFAOYSA-N 415.447 -0.358 50 20 HBGD C[C@@]1(CCCC(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)NC(=O)NC1=O 801433558 MBINMKQEZNPCAL-SFHVURJKSA-N 401.379 -0.369 50 20 HBGD CSC[C@@H](C(=O)NNC(=O)N1CCN(C)CC1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 807383132 LMVKCEGCSOUZJD-MJBXVCDLSA-N 411.528 -0.119 50 20 HBGD CCOc1ccc(C(=O)NNC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)cc1OC 816827160 HANIBYOTGALJBA-LBPRGKRZSA-N 400.457 -0.230 50 20 HBGD C[C@@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)N1C(=O)CCC1=O 916030305 UFPXZWNWNLCVDM-LBPRGKRZSA-N 422.463 -0.230 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCC=CO1)CCO2 1779032290 MQFCGTLYIXVZOL-UZLBHIALSA-N 415.450 -0.179 50 20 HBGD COc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)n(C)n1 1784085990 AZAPEWJMCFSBGV-VTPLQMEGSA-N 400.863 -0.378 50 20 HBGD CC(=O)NCC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1784640402 KYWNBOUZKSWLLI-XQLPTFJDSA-N 403.907 -0.272 50 20 HBGD N=C1NCCN1CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21 1786839068 RZQQABQSDQRVDA-AVGNSLFASA-N 416.320 -0.409 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cccnc3)[C@H]2C1 1787098707 YUVZKWTYGQDJGX-BZSNNMDCSA-N 417.510 -0.023 50 20 HBGD CC(C)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNCP(=O)(O)O 1795519171 ZSARTJZYSOGBPJ-PTEHBNRSSA-N 411.823 -0.434 50 20 HBGD O=C(CCN1CCOC1=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796188945 FKDNCZZPXMEEBK-BJWYYQGGSA-N 415.255 -0.540 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CCNC(=O)C1)C2 1798443474 AENOYZIVZHTVBM-FQUUOJAGSA-N 414.466 -0.537 50 20 HBGD CC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 1799265688 LTVSBVGVCRJOMM-FBKDDSFISA-N 408.846 -0.362 50 20 HBGD CCC(=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1800476734 AEIDMRLYYVTDOO-HKENYVDXSA-N 403.439 -0.311 50 20 HBGD CN1CC(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)C1 1815361383 BPSHGJGBTPUWLZ-CQSZACIVSA-N 414.296 -0.390 50 20 HBGD O=C(Cn1cncn1)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1817609372 BEGRGXKHHNZVCF-INIZCTEOSA-N 423.242 -0.313 50 20 HBGD CC[C@H](C)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1831051367 ZFMVEFOAIODKSH-HRAATJIYSA-N 418.299 -0.127 50 20 HBGD C[C@H](CBr)C(=O)NC1CCN(C2CCN(C(=O)C(O)O)CC2)CC1 1833265507 ZGESRMABLJXPSS-LLVKDONJSA-N 406.321 -0.100 50 20 HBGD NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCBr)CCO2 1834825376 YECDKAGWGMGBIB-HNNXBMFYSA-N 406.277 -0.507 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3nnc(C)o3)CCO2)C1 1836028749 LOPZMLBMUROYOR-CXAGYDPISA-N 416.862 -0.369 50 20 HBGD C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837460349 CKNALTDZTHTILE-KZULUSFZSA-N 423.495 -0.927 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 1839148942 OHAXWLZGKXAKJO-QWQRMKEZSA-N 401.891 -0.014 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1839154401 MVPGLSRXKCJEFF-WRFANHODSA-N 424.325 -0.598 50 20 HBGD C[C@@H](C(=O)N1CCCC12CN(C(=O)CCC(=O)NN(C)C)C2)[C@H]1SC(=N)NC1=O 1843409280 STEULKMNRZVCAZ-BXUZGUMPSA-N 424.527 -0.635 50 20 HBGD CC[C@@H](Br)C(=O)N1CCCC12CN(C(=O)CN1CC(=O)NC1=O)C2 1846069131 JUCQUUKTZDLXTJ-SNVBAGLBSA-N 401.261 -0.085 50 20 HBGD C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 9931030 TXTZXHNJRAKJOD-VHSXEESVSA-N 423.900 -0.411 50 20 HBGD CS(=O)(=O)N1CCC(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1 14324785 IJMFYMCVTZJICX-UHFFFAOYSA-N 417.513 -0.588 50 20 HBGD CCOc1cccc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1O 254883652 LHGGBPNQIVCBEC-UHFFFAOYSA-N 400.395 -0.312 50 20 HBGD O=C(CNC(=O)NCc1ccco1)NNC(=O)C1CCN(c2ncccn2)CC1 728890571 WLOFCLGHRNDTMR-UHFFFAOYSA-N 401.427 -0.067 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 729276709 KYINVBFUQUUHFO-SSDOTTSWSA-N 412.877 -0.590 50 20 HBGD O=C(CSCC(=O)N1CCOCC1)NNC(=O)c1nn(-c2ccccc2)cc1O 740922121 QWEJUOSKQSWVTA-UHFFFAOYSA-N 419.463 -0.069 50 20 HBGD COc1ccc(CCC(=O)NNC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 743319951 LQFDBSOMRGCXBH-DTDBQYNISA-N 401.419 -0.062 50 20 HBGD Cn1ccc(N2CCC[C@@H](NC(=O)NNC(=O)CNC(=O)c3ccco3)C2=O)n1 743577110 MMHDGGPOFWOVEW-LLVKDONJSA-N 403.399 -0.731 50 20 HBGD CC[C@H](C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)N1CCCC1=O 745691876 PSHKSPLHOFDZFA-DOMZBBRYSA-N 405.407 -0.082 50 20 HBGD COCCNC(=O)Cn1cc(NC(=O)NNC(=O)c2cncc(NC(C)=O)c2)cn1 756845913 WZIZNRHIJNNROT-UHFFFAOYSA-N 418.414 -0.534 50 20 HBGD Cc1ncsc1C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 763044591 YWCMSRZNQQZBQO-VIFPVBQESA-N 411.465 -0.322 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)C[C@@H]3CCOC3)CC2)cc1 765728648 NTJORJWZFNITAC-INIZCTEOSA-N 424.523 -0.125 50 20 HBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 784915849 QGDNCGZOHCNNAS-UHFFFAOYSA-N 413.456 -0.662 50 20 HBGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c(OC)c1 785490319 ZQRWYZLIRAJXHD-SNVBAGLBSA-N 421.453 -0.839 50 20 HBGD Cc1cccc(=O)n1C[C@@](C)(O)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 792021155 HLSYSOAKZWBRCS-GOSISDBHSA-N 421.479 -0.338 50 20 HBGD Cc1nc(S(=O)(=O)NCCC(=O)NNc2ccc(-n3ccnc3)nn2)cn1C 804952010 HBNUBNBUKGRMMV-UHFFFAOYSA-N 405.444 -0.484 50 20 HBGD CCOC(C)(OCC)C(=O)NNC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 807371232 HKGJZARVWXHORD-UHFFFAOYSA-N 401.441 -0.504 50 20 HBGD O=C1COC[C@@H](C[C@@H]2CN(C(=O)C(=O)NNC(=O)[C@H]3CCCO3)c3ccccc32)N1 815780508 ZOOGABASRWIMBM-XJKCOSOUSA-N 416.434 -0.652 50 20 HBGD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NNC(=O)[C@H]1CCc2nncn2C1 816872973 UYKQYLHGDXEPMU-JTQLQIEISA-N 418.366 -0.204 50 20 HBGD CCn1c(=O)c(=O)[nH]c2cc(C(=O)NNC(=O)CCN3C[C@H](C)O[C@@H](C)C3)ccc21 912918697 BYOAZYASVDIVNR-STQMWFEESA-N 417.466 -0.030 50 20 HBGD CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3CC[C@H](B(O)O)C3)c2)CC1 1331828781 ZLIYYLGCJMEGHL-HNNXBMFYSA-N 409.273 -0.772 50 20 HBGD CCN(CCS(C)(=O)=O)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 1341051795 MCILOWKDXODLRQ-UHFFFAOYSA-N 405.502 -0.299 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(OCF)cn3)C[C@@H]21)[C@H](O)CCl 1784086556 MXMKSSCENAWUHG-VTPLQMEGSA-N 416.837 -0.025 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCOC3)C2)C1 1784718915 CSLAZONBNSHMID-BFUOFWGJSA-N 403.439 -0.835 50 20 HBGD Cc1ncc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)cn1 1785836734 PKKOPTDNGAZJJO-XIRDDKMYSA-N 418.498 -0.249 50 20 HBGD CCO/C=C/C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786982948 CZYNHRBNJKKZBH-SWXRFINNSA-N 402.256 -0.490 50 20 HBGD N[C@@H](Cc1cccnc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1787472804 HDNOZWJIDFLSEF-WOYTXXSLSA-N 410.902 -0.469 50 20 HBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc[nH]3)C[C@@H]21 1788610495 CDBFFEKKGUTGEH-PJODQICGSA-N 413.438 -0.685 50 20 HBGD CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Cl)C[C@@H]21 1788638633 OVEPNOVOUYGNES-YTFOTSKYSA-N 422.837 -0.005 50 20 HBGD CCn1nccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1794884388 HDKXMEAKJGEFOS-JLVBRIDZSA-N 412.255 -0.900 50 20 HBGD C[C@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)CCC(N)=O)C2 1799274633 BNKQNRDWXRVFKV-JZHJWMIFSA-N 409.314 -0.595 50 20 HBGD CN(C)C(=O)C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807361386 AHRYZTOILMPWPY-AEFFLSMTSA-N 424.266 -0.831 50 20 HBGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](O)CCl)CC2)c1cccc(B(O)O)c1 1815350603 ZSNLRHXNKNKGBQ-WCQYABFASA-N 423.687 -0.352 50 20 HBGD Cc1cc(C)n(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)n1 1830724618 ADHMDBBTHAVBBA-YJBOKZPZSA-N 414.890 -0.444 50 20 HBGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)c1ncon1)CCO2 1838314387 KQVVRGJPYDCQTR-AWEZNQCLSA-N 403.233 -0.075 50 20 HBGD CC(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840035019 DFVBRTXWNWYHJB-ABAIWWIYSA-N 406.277 -0.638 50 20 HBGD COc1ccc(CCC(=O)NNC(=O)NCCS(=O)(=O)N2CCOCC2)cc1 52300151 RLGIUUXZGGZJPN-UHFFFAOYSA-N 414.484 -0.380 50 20 HBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=S)NC[C@H]1CCOC1 749733670 KIWYJZILVOULKK-OAHLLOKOSA-N 405.524 -0.024 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CCc2cccc(F)c2F)n(C)c1=O 765733002 ZLJXBVAGEKOAOO-UHFFFAOYSA-N 420.376 -0.508 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cccc(-n3cccn3)c2)n(C)c1=O 766636473 NLUGDGCEYHAWFO-UHFFFAOYSA-N 422.405 -0.919 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1Cc2cc(Br)ccc2O1 792643424 WDGUOXSBOPFEBG-RDDDGLTNSA-N 406.258 -0.162 50 20 HBGD Cc1c(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cnn1C 794200545 NNNVJMVKSMLWKD-UHFFFAOYSA-N 421.479 -0.247 50 20 HBGD COc1ccc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)c1OC 807976819 UOQWGBGYRASYKK-UHFFFAOYSA-N 414.422 -0.090 50 20 HBGD COc1cccc(NCC(=O)NNC(=O)CNS(=O)(=O)c2c(C)noc2C)c1 810007391 YCXQQJAOSBFZQC-UHFFFAOYSA-N 411.440 -0.162 50 20 HBGD CC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)N3CCOCC3)C[C@@H]21 1789863525 TWTFKPWAAKGMGS-WNZSCWOMSA-N 403.907 -0.366 50 20 HBGD CC[S@@](=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1797609822 GJEGORLLVPOJLO-RAHIHUTESA-N 416.544 -0.892 50 20 HBGD O=C(COc1ccc(O)nn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(Cl)Cl)C2 1800208567 NOBUUSUKUBAKFI-YFKFIEJBSA-N 405.238 -0.046 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H](O)CC1 1801128423 QXUVTMUSPFJLSJ-UTIGFIHBSA-N 416.283 -0.879 50 20 HBGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2)n1cnnn1 1801434781 IIOYYWWUXGRNTH-HNCHTBHHSA-N 401.265 -0.391 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)CC(N)=O)CCO2)C1 1831616013 PKWAISFBESFCHB-GDZNZVCISA-N 405.879 -0.792 50 20 HBGD COC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1831637064 JRLDYPBHJZMNLG-BEFAXECRSA-N 414.503 -0.902 50 20 HBGD NC[C@H](N)C(=O)N1CCC(N2CCC(NC(=O)[C@H](F)Br)CC2)CC1 1836412713 QVHDRMPJROLILB-STQMWFEESA-N 408.316 -0.466 50 20 HBGD O=C(c1ccc2ncnn2c1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837164654 LOEDQBCZUXJPAG-RDTXWAMCSA-N 423.857 -0.601 50 20 HBGD C[C@@H](NC=O)C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837714373 AVYPFGOXVFBBNB-PBHICJAKSA-N 401.536 -0.571 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCNC3=N)C2)C1 1839144281 UEAWBGFIJIWIPH-SUMWQHHRSA-N 401.895 -0.700 50 20 HBGD C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](Cl)COC)CCO2)C1 1840150787 RXMSBAVYVSZZOJ-IIDMSEBBSA-N 402.875 -0.265 50 20 HBGD COc1ccc([C@@H](O)C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)cc1 1841182989 OFVUXUPIXCCVLZ-LJQANCHMSA-N 424.262 -0.074 50 20 HBGD COc1ccc([C@@H](O)C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2ccc(B(O)O)cc2)cc1 1847394895 HXAOZFDOWSVVNA-SLFFLAALSA-N 424.262 -0.076 50 20 HBGD Cc1cc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc(S(=O)(=O)N(C)C)c1C 9931003 BMYGOCXRZXQNOS-LBPRGKRZSA-N 417.509 -0.251 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cccc3ncccc23)n(C)c1=O 730226450 LKTINFCZLOLOEP-UHFFFAOYSA-N 407.390 -0.557 50 20 HBGD NC(=O)[C@@H]1CC(C(=O)NNC(=O)CNC(=O)c2ccco2)=NN1c1ccc(F)cc1 751202842 XKABWAJJFXDDTP-ZDUSSCGKSA-N 416.369 -0.584 50 20 HBGD CN(C)N(C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCS(=O)(=O)C1 766246662 DWOVTMZAJCPSAR-GFCCVEGCSA-N 414.509 -0.393 50 20 HBGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)cn1 770244153 XIJNCHWMPZVFRX-UHFFFAOYSA-N 416.460 -0.542 50 20 HBGD CCOC(=O)c1cc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)cn1C 784005345 WPKITGCMPFENTH-UHFFFAOYSA-N 421.435 -0.221 50 20 HBGD Cn1cnn(CCC(=O)NNC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)c1=O 815633992 BFWDLPBCWHWFIB-UHFFFAOYSA-N 411.463 -0.298 50 20 HBGD CN(C)S(=O)(=O)c1ccc(O)c(C(=O)NNC(=O)[C@H]2CCc3nncn3C2)c1 816882205 ZQSXMEMPZCOYHI-JTQLQIEISA-N 408.440 -0.742 50 20 HBGD CS(=O)(=O)N1CCN(CCNC(=O)NNC(=O)c2ccccc2Cl)CC1 1321005454 LJOVTBWKRMZZOU-UHFFFAOYSA-N 403.892 -0.139 50 20 HBGD C[C@@H]1CCS(=O)(=O)CCN1C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 1321967580 XZNSOVVXUZAGGI-CYBMUJFWSA-N 410.500 -0.057 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3[nH]cc4c3CCC4)C2)C1 1779997251 FNBNQEYGUADEFC-JOCHJYFZSA-N 423.278 -0.060 50 20 HBGD Cc1nc[nH]c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1787650811 FSENPAKOPQYJER-KKUMJFAQSA-N 406.487 -0.316 50 20 HBGD CCOC(=O)N[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](Cl)COC)[C@H]2C1 1791255060 CMMKAMBKISLSPL-AIUMHDJVSA-N 421.878 -0.716 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CC(=O)C3)[C@H]2C1 1792162797 LMBVZRKNWRICSL-GOPGUHFVSA-N 415.450 -0.743 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C(=O)O)ncn1)c1cccc(B(O)O)c1 1794678010 BXMBUDXVLGZHET-QDMKHBRRSA-N 424.222 -0.580 50 20 HBGD O=C(C[C@@H]1NC(=O)NC1=O)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@H]1c1cccnc1 1804341224 IMGYTIIWUFLCKR-ABHRYQDASA-N 423.857 -0.715 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C(=O)N(C)C)n[nH]1 1817176067 QTWRNAFKVOKPIJ-CYBMUJFWSA-N 407.475 -0.137 50 20 HBGD N=C(N)SCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1835509348 LNBOWIKONKYXPD-CQSZACIVSA-N 423.333 -0.146 50 20 HBGD NC[C@H](N)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](F)Br)CC2)CC1 1836412711 QVHDRMPJROLILB-QWHCGFSZSA-N 408.316 -0.466 50 20 HBGD CC(=O)O[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1)C(C)C 1837213896 RKDOOFMSCRGVDK-VKJFTORMSA-N 420.890 -0.370 50 20 HBGD C[C@H](NC=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1839164294 ZTWKFRPMLGBVFR-MISXGVKJSA-N 410.240 -0.732 50 20 HBGD CC(=O)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839203053 YDVLCJQYVOYKDT-UKRRQHHQSA-N 424.267 -0.341 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnn(C)c3)C2)C1 1840156203 KIVGEVTXYIINGW-CRAIPNDOSA-N 414.890 -0.327 50 20 HBGD O=C1C[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)C(Cl)Cl)CCO3)C2)CCN1 1840190855 QLKBUZMBPHNLGL-BDJLRTHQSA-N 408.282 -0.227 50 20 HBGD CC[C@H](NC(C)=O)C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844263262 KVEYUGYZENVDCH-HNNXBMFYSA-N 402.455 -0.583 50 20 HBGD CS(=O)(=O)NCCNC(=S)NNC(=O)C1=S=C(c2ccc(F)cc2)C=C1 727068458 CPWWIAVZXJGBJM-UHFFFAOYSA-N 416.525 -0.134 50 20 HBGD O=C(CN1CCN(CC(=O)NC2CC2)CC1)NNC(=O)c1ccc([N+](=O)[O-])cc1 727241557 DQQXACLOIPRIGQ-UHFFFAOYSA-N 404.427 -0.748 50 20 HBGD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)c1cccc(C#N)c1 728828232 LZSLZBPXOVBHEX-UHFFFAOYSA-N 417.447 -0.008 50 20 HBGD NC(=O)COc1ccccc1C(=O)NNC(=O)c1csc(N2CCOCC2)n1 761380509 ARYMRKGFFFPQNG-UHFFFAOYSA-N 405.436 -0.081 50 20 HBGD COc1ccc(C(=O)NNC(=O)COC(=O)Cn2cc([C@@H](C)O)nn2)cc1OC 762959382 IDMGSNMZUVGZJR-SNVBAGLBSA-N 407.383 -0.647 50 20 HBGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 764424981 LROKQPAUEAEACB-CYBMUJFWSA-N 410.814 -0.032 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2scnc2C(C)(C)C)n(C)c1=O 766636487 NVXPGMIWHSRNJB-UHFFFAOYSA-N 419.467 -0.351 50 20 HBGD Cc1ccc(C(=O)NNC(=O)COC(=O)CNS(=O)(=O)c2ccccc2N)cc1 800234065 KEBHWHYETUZTBP-UHFFFAOYSA-N 420.447 -0.140 50 20 HBGD COc1ccc(NC(=O)NNC(=O)[C@@H]2CCc3nncn3C2)cc1-n1nnnc1C 814630043 SJGINOIUFVMWST-LLVKDONJSA-N 412.414 -0.014 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3[nH]cc4c3CCC4)C2)C1 1779998284 SRFPNQMWZHJPRL-QFIPXVFZSA-N 423.278 -0.060 50 20 HBGD CNCCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782210828 QDTBOULWIJAHJW-OXQOHEQNSA-N 411.547 -0.127 50 20 HBGD Cc1ccn(CC(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)n1 1783933755 XATJNXSNLGHYQN-IBGZPJMESA-N 406.487 -0.606 50 20 HBGD C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1784502809 GFXDCKUHQDLKFJ-XIVBQZFQSA-N 416.283 -0.449 50 20 HBGD Cc1cn(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](F)Cl)[C@H]3C2)c(=O)nc1O 1787451609 ZFMUEPRRGVOBBP-MNXVOIDGSA-N 416.837 -0.229 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cnccn3)C[C@@H]21 1791287995 MEDSRKRNXNOHTH-XIRDDKMYSA-N 418.498 -0.628 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@@]1(F)Cl)C2)c1cccc(B(O)O)c1 1795740765 KYMBRUIHLPTYFT-BXPDPKNNSA-N 410.638 -0.506 50 20 HBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2ncccn2n1 1796958984 DDIRWIFYVNAYRS-RNJOBUHISA-N 408.846 -0.419 50 20 HBGD Cc1nccn1CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1800277434 HGWUUZVQDIQWOC-CCWDJLKJSA-N 406.487 -0.846 50 20 HBGD NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1821952357 TYGKSCCXWXMLNF-OAHLLOKOSA-N 413.243 -0.339 50 20 HBGD O=C(CN1CCSCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830720006 QRAHQEGFVHBBSG-WMLDXEAASA-N 421.947 -0.909 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnco1)CCO2 1831944752 RMBRVWLNJMLYHM-SFHVURJKSA-N 409.443 -0.882 50 20 HBGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)Cn1nccn1)CCO2 1839235053 OFEZADOBBGFWCN-HNNXBMFYSA-N 416.276 -0.481 50 20 HBGD O=C(/C=C/c1cnccn1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840484416 PGRJPYZNGLRRHD-KCLDSTIOSA-N 410.858 -0.454 50 20 HBGD O=C(C#CC1(O)CCCCC1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014216 KXVDBMOWISQZBM-UHFFFAOYSA-N 410.279 -0.118 50 20 HBGD NC(=O)c1ccc(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)cc1 1846769853 OMUPUGBMTKRRGO-UHFFFAOYSA-N 407.235 -0.404 50 20 HBGD CN(CC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C)C1=NS(=O)(=O)c2ccccc21 728177911 NLTATPQIQLXLBF-GFCCVEGCSA-N 414.509 -0.440 50 20 HBGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 734242052 QCIDMCJDQXKAME-CDGCEXEKSA-N 421.454 -0.351 50 20 HBGD CNS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)o1 744718643 KKFNYLOYHPPXCE-UHFFFAOYSA-N 406.376 -0.323 50 20 HBGD NC(=O)c1ccc(/C=C\C(=O)N2CCC[C@H]2C(=O)NNC(=O)N2CCOCC2)cc1 745995835 DUUSJNXDIWMRLY-SBSDFTTDSA-N 415.450 -0.137 50 20 HBGD CN1C(=O)N(CC(=O)NNC(=O)CNC(=O)c2ccco2)C(=O)C12CCCCC2 751205011 VEFWIXJHEHAMFK-UHFFFAOYSA-N 405.411 -0.246 50 20 HBGD C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1 755371744 NZXWPXQJLFVJMJ-LBPRGKRZSA-N 417.451 -0.266 50 20 HBGD Cc1cnn(-c2ccc(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc2F)c1 757652016 IQSWMYGHVQLTRK-SNVBAGLBSA-N 419.460 -0.433 50 20 HBGD C[C@H](CNC(=O)C(=O)NNC(=O)c1ccccc1Br)S(N)(=O)=O 763484256 ZCNCFQQGBWEKAO-SSDOTTSWSA-N 407.246 -0.997 50 20 HBGD COCCO[C@@H]1COCC[C@@H]1NC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 776844843 MYNSWBMFRSVSFO-LSDHHAIUSA-N 405.415 -0.573 50 20 HBGD O=C(NNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)Nc1ccc2c(c1)OCO2 802099561 MFAWTFGFTGDHNY-JQWIXIFHSA-N 424.435 -0.396 50 20 HBGD C[C@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1782181529 RZUZIZLWVYDPJF-URKNILKWSA-N 406.313 -0.188 50 20 HBGD CCNC(=S)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](Cl)COC)C[C@@H]21 1790572387 XJEGXULDOQNUIV-FQUUOJAGSA-N 420.963 -0.296 50 20 HBGD CNc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)cc1 1795737562 VTTZSJDLYQVTKA-XEMDLRDOSA-N 423.278 -0.075 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1n[nH]cc1[N+](=O)[O-] 1796188796 RFRSNMOOGZYDCF-BTTYYORXSA-N 413.199 -0.437 50 20 HBGD O=C(COCCO)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815360698 XMMVUDMFOVYJGU-CYBMUJFWSA-N 419.268 -0.942 50 20 HBGD CC(=O)NCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827053423 NQZKJPNSONOHNR-LJQANCHMSA-N 415.299 -0.264 50 20 HBGD Cn1nncc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1833228351 SNXNJORAZCUINE-HNNXBMFYSA-N 416.276 -0.330 50 20 HBGD O=C1NC[C@@H](C(=O)NC2CCN(C3CCN(C(=O)[C@H](O)CCl)CC3)CC2)O1 1833511284 DHCHLXKYXKCKRF-KGLIPLIRSA-N 402.879 -0.734 50 20 HBGD C[C@H](Br)C(=O)N1CCCC12CN(C(=O)CN1CCS(=O)(=O)CC1)C2 1846175816 UHUPAAITGWSOFA-LBPRGKRZSA-N 422.345 -0.296 50 20 HBGD CN(C)N(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 728179609 MVSCLPKESGHEQU-CYBMUJFWSA-N 400.482 -0.671 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CN3CCCNC3=O)cc2)CC1 728214470 POZADOREOZBDRZ-UHFFFAOYSA-N 410.500 -0.519 50 20 HBGD Cn1cc(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cn1 751044342 VXXOUAZMTUHFGG-UHFFFAOYSA-N 407.452 -0.555 50 20 HBGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)co1 755897268 HIOCAGBFAUZNCB-UHFFFAOYSA-N 405.433 -0.344 50 20 HBGD C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)NNC(=O)C(=O)Nc1ccccn1)C2=O 757054290 QKGMOOODMRBJTP-VXGBXAGGSA-N 416.438 -0.086 50 20 HBGD CN1CCN(CC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1=O 763284889 XOFLLZZHPSRHTA-UHFFFAOYSA-N 423.495 -0.994 50 20 HBGD CNC(=O)Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 763569837 CKKHOJRQNWMRQR-MRXNPFEDSA-N 412.402 -0.099 50 20 HBGD CC(C)Cc1cc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)n(C)n1 763917036 OEMZMXIUHIAKQX-UHFFFAOYSA-N 411.426 -0.006 50 20 HBGD C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NNC(=O)C3CCCC3)cn2)C[C@@H](C)O1 764070524 LYRGYGPNISJVIG-CHWSQXEVSA-N 420.470 -0.205 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(F)c(C(F)(F)F)c1 764230706 KBCYLISHPJTMHM-LURJTMIESA-N 414.337 -0.132 50 20 HBGD COc1cccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 765312290 CMEVLTYANIWSTF-UHFFFAOYSA-N 401.383 -0.705 50 20 HBGD CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])O1 775458792 AJGSKIYRLHHRQH-FZMZJTMJSA-N 409.399 -0.060 50 20 HBGD Cn1c(=O)c2c(ncn2CCC(=O)NNc2cccc(S(C)(=O)=O)c2)n(C)c1=O 776533814 LYEZNYRIIRALMU-UHFFFAOYSA-N 420.451 -0.629 50 20 HBGD C[C@H]1CCN(S(=O)(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)C1 777939213 ANPAWZYNXMFKKA-HNNXBMFYSA-N 409.512 -0.348 50 20 HBGD CNS(=O)(=O)CCNC(=O)NNC(=O)c1cc(OC)ccc1Br 784664080 LFPXOCQGMFQERY-UHFFFAOYSA-N 409.262 -0.049 50 20 HBGD CN1CCN(C(=O)NNC(=O)CCNS(=O)(=O)c2ccccc2Cl)CC1 788167107 UXYILHIKYMJSKA-UHFFFAOYSA-N 403.892 -0.003 50 20 HBGD O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)NNC(=O)[C@@H]1Cc2ccccc2O1 795875978 CVJDUVVRNCYPGI-AWEZNQCLSA-N 415.431 -0.008 50 20 HBGD COc1cc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)nn1C 797369444 XIFQOXVPEPDYLC-UHFFFAOYSA-N 404.383 -0.559 50 20 HBGD COc1ccccc1CCNC(=O)CNC(=O)NNC(=O)CNC(=O)c1ccco1 798058897 AVPRTMVLBBAJHS-UHFFFAOYSA-N 417.422 -0.293 50 20 HBGD O=C(NCCS(=O)(=O)N1CCSCC1)NNc1ccc(-n2ccnc2)nn1 805086053 ZKAOTAGPWIHMCU-UHFFFAOYSA-N 412.501 -0.333 50 20 HBGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccc2nccnc2c1Br 806980632 SEBKZTDRGQMBRF-JTQLQIEISA-N 424.211 -0.106 50 20 HBGD N#Cc1ncn(CCNC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)n1 807511151 UTCZPXUZYLJUBU-UHFFFAOYSA-N 411.470 -0.308 50 20 HBGD O=C1NC(=O)C(=NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)C(=O)N1 814212894 ODZKWYMKZVUOCT-UHFFFAOYSA-N 407.408 -0.687 50 20 HBGD CCc1ccccc1OCC(=O)NNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 914830130 YZODABARATWIJG-GJZGRUSLSA-N 423.491 -0.189 50 20 HBGD O=C(NNC(=O)C1=NN(Cc2ccccc2)C(=O)CC1)N[C@H]1CCS(=O)(=O)C1 919886864 VWRUWLHQBCVLII-ZDUSSCGKSA-N 407.452 -0.318 50 20 HBGD COCC(=O)NCCC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 1317795894 VTZRCNWKIGLOJH-UHFFFAOYSA-N 412.468 -0.615 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CC3(F)F)C2)C1 1778147816 GWMHMQCHXATVFU-GUYCJALGSA-N 409.393 -0.216 50 20 HBGD O=C(CN(CCO)CCO)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](F)Cl)C2 1781837159 AGKWPGUHMGGEQZ-FRFSOERESA-N 409.886 -0.679 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3cnc(O)nc3O)CCO2)C1 1783875112 JZRMCAYXGDLECY-ZBEGNZNMSA-N 400.819 -0.415 50 20 HBGD Cc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)nn1C 1783936213 ISFRYJKVWMCGGP-IBGZPJMESA-N 406.487 -0.455 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3CCOCC3)[C@H]2C1 1786748838 RXQYDTILYPMSTQ-NXOAAHMSSA-N 417.934 -0.058 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(F)c[nH]3)C[C@@H]21)c1cccc(B(O)O)c1 1786986507 IZSUVWLDWBPNSV-OWQGQXMQSA-N 415.230 -0.259 50 20 HBGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)n3cnnn3)C[C@@H]21 1791065023 PCVGQSMLRFSVGX-VLJOUNFMSA-N 415.292 -0.003 50 20 HBGD CC(C)(NCCC#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1796044916 GESQQWAKZKYNHC-BCDXTJNWSA-N 412.299 -0.100 50 20 HBGD Cc1cc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)nn1C 1796190186 YXVXXLPZBNOHRN-GGPHIMKMSA-N 410.283 -0.097 50 20 HBGD CC[C@H](NC(N)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1796757832 ATVHCSHNAHCLQR-FZKCQIBNSA-N 402.260 -0.935 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H]1NC(=O)NC1=O)C2 1799273669 FYZDYUJCQMBDFK-GQNZOVQCSA-N 421.281 -0.590 50 20 HBGD C[C@@H](CN)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354466 CWOIRADWNFDZKP-GXFFZTMASA-N 402.285 -0.357 50 20 HBGD CC(=O)NCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1821943767 FJFFHSISZWCXIU-INIZCTEOSA-N 413.243 -0.469 50 20 HBGD O=C(CN(CCO)CCO)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](O)CCl)[nH]n1 1822022425 FAYPDFGZWVWMRH-UONOGXRCSA-N 417.894 -0.712 50 20 HBGD COC(OC)C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834819516 QCXNFQIRGIVLJK-OAHLLOKOSA-N 409.277 -0.153 50 20 HBGD C=CC[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835932067 MFNMQIMJZJCYKI-IIBYNOLFSA-N 416.283 -0.351 50 20 HBGD CC[S@](=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837234623 JBWZPJMWARCGIS-JDOLQQSESA-N 410.920 -0.799 50 20 HBGD CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)no1 1838121748 FVPMBTNPZDLCFV-RHSMWYFYSA-N 401.847 -0.093 50 20 HBGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]n3)C2)C1 1840032204 QVROHTKDIPRGQL-YGRLFVJLSA-N 402.249 -0.342 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 1840155700 GTXDQXJCODSOLU-SUNYJGFJSA-N 417.890 -0.777 50 20 HBGD O=C(Cn1nnc2ccccc21)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010564 DVIWFCYXQRGQOS-UHFFFAOYSA-N 419.250 -0.372 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCOC1=O 1847692578 FUYAJPPBURRKPV-FBBFJSPUSA-N 416.438 -0.226 50 20 HBGD COc1ccc([C@]2(C)NC(=O)N(CC(=O)NNc3nnc(C)c(O)n3)C2=O)cc1 23309845 GKYJLZNKCGSYSE-KRWDZBQOSA-N 401.383 -0.195 50 20 HBGD COC(=O)c1ccsc1N1CC[C@@H](NC(=O)NNC(=O)C(=O)NC2CC2)C1=O 746780250 NDVQCKPXDZFZHC-SNVBAGLBSA-N 409.424 -0.751 50 20 HBGD O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 747365954 RYGAJOGLFFCSNP-NSHDSACASA-N 413.847 -0.489 50 20 HBGD CNS(=O)(=O)c1cc(C(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)c(C)o1 751745709 YHGXDGMMMUGPKM-UHFFFAOYSA-N 420.403 -0.014 50 20 HBGD CCCNS(=O)(=O)c1ccc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 756775610 JNRPQYCEBJIAOD-NSHDSACASA-N 418.497 -0.038 50 20 HBGD NC(=O)c1ccc(NNC(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)nn1 757406537 CLSLUHOFMQEPEO-GFCCVEGCSA-N 420.451 -0.210 50 20 HBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)N1C[C@@H]2CCCN2c2ccccc21 764001824 FOPKPUGJUFBQHE-STQMWFEESA-N 406.464 -0.416 50 20 HBGD C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 806458499 JZRBQYCNJWVHRI-MNOVXSKESA-N 414.465 -0.040 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NN=C2CCc3cccc(C(=O)O)c3C2)n(C)c1=O 814876761 CKALCJJTOZUBOK-UHFFFAOYSA-N 424.417 -0.207 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CC[C@@]2(CN(C(=O)C[C@H]3NC(=O)NC3=O)CCO2)C1 1781224750 NZDYQYIWXUVMJL-HPEXNQPKSA-N 421.281 -0.349 50 20 HBGD COC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1783617288 CRRSTKGUQLDDSK-XIRDDKMYSA-N 404.272 -0.615 50 20 HBGD C[C@@H](Cn1ccnc1)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783937043 DXFUUULVFOWWKR-OXJNMPFZSA-N 420.514 -0.278 50 20 HBGD C[C@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(N)=O)C[C@@H]21 1783974956 BNZIEJNQGDRIHU-RHYQMDGZSA-N 405.293 -0.335 50 20 HBGD COc1nn(C)cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784086277 JKVJLUODXIDKBG-IMIFBBOLSA-N 400.863 -0.378 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1784117541 MGTBGKGYSPYNBG-SFHVURJKSA-N 409.515 -0.407 50 20 HBGD CC(C)N(C)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1791786782 MGRLDSSXJFESTN-WDSOQIARSA-N 417.315 -0.700 50 20 HBGD CCC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)n2[nH]nnc2n1 1796108434 DUTXJJRMYYNICE-MIJXAVMKSA-N 423.861 -0.577 50 20 HBGD Cc1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1796671439 DIMSBUYGOJATSM-CCWDJLKJSA-N 403.483 -0.034 50 20 HBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc[n+]([O-])cc1 1799044294 TUAQKWYTGJPEPU-QDMKHBRRSA-N 410.434 -0.116 50 20 HBGD O=C(c1cc(=O)cco1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830725627 QQABRHFJMMRKSV-CXAGYDPISA-N 400.815 -0.691 50 20 HBGD O=C(c1cccc(=O)n1O)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1833478220 FWEHCJKHYPCAOR-INIZCTEOSA-N 420.249 -0.041 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccn(C)c1)CCO2 1833858406 FYCJNFHWROVOHT-HXUWFJFHSA-N 421.498 -0.532 50 20 HBGD CN(C)C(=O)C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834822583 WYQLMHFWVOQMCO-HNNXBMFYSA-N 406.277 -0.684 50 20 HBGD O=C(NC1CCN(C2CCN(C(=O)[C@@H](O)N3CCOCC3)CC2)CC1)[C@@H](F)Cl 1835084329 YJFKKKCWRPGOTE-CRAIPNDOSA-N 420.913 -0.257 50 20 HBGD O=C(NC1CCN(C2CCN(C(=O)[C@@H](F)Cl)CC2)CC1)[C@H](O)N1CCOCC1 1835764093 LHTVPYWXZJGJQR-QAPCUYQASA-N 420.913 -0.257 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)C34CC(C3)C4)C2)C1 1835940038 UJWHVQOUVKTSHS-KUTOWUBSSA-N 414.267 -0.764 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3C)C2)C1 1840155303 WXECIMOSFGZPLK-DEYYWGMASA-N 417.890 -0.683 50 20 HBGD CN(C)C(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840187219 NHVUKCLJURJUDE-HNNXBMFYSA-N 411.286 -0.482 50 20 HBGD Nc1n[nH]c(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(Cl)Cl)CCO3)n1 1840188497 MVMAQVZOIPCELB-HNNXBMFYSA-N 421.285 -0.420 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)[C@@H]2Cc3ccccc3CN2)C1 1843341091 WHSVGDBDXLGZNZ-FQEVSTJZSA-N 419.290 -0.102 50 20 HBGD O=C(NCCC(=O)N1CCN(c2ncccn2)CC1)NNC(=O)c1ccccc1O 726710514 DIKXHLGHIFSZEO-UHFFFAOYSA-N 413.438 -0.135 50 20 HBGD CCNS(=O)(=O)CCNC(=O)NNC(=O)c1sc(N2CCOCC2)nc1C 731679244 CNGJQPPRAHJXFX-UHFFFAOYSA-N 420.517 -0.829 50 20 HBGD Cc1nc(CN2CCN(CC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)CC2)no1 733995410 JBLAXVYGHNDRIW-UHFFFAOYSA-N 403.399 -0.135 50 20 HBGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1F 740812639 SGAVBQLWIYFCDC-UHFFFAOYSA-N 409.461 -0.157 50 20 HBGD O=C(NNC(=O)N1CCOCC1)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 746519553 JULNYBQAYONJDQ-AWEZNQCLSA-N 412.468 -0.170 50 20 HBGD CC(C)NS(=O)(=O)CCNC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O 746973499 VQELOSJRWVFGFH-UHFFFAOYSA-N 410.456 -0.150 50 20 HBGD C#CCOCCC(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 756002145 FQPMLKKFAQGGRM-UHFFFAOYSA-N 422.507 -0.511 50 20 HBGD CCOCC(=O)NNC(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1 758017453 SNLARYAPFABOLV-UHFFFAOYSA-N 406.399 -0.244 50 20 HBGD COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)NNC(=O)C3CC3)cc2)CC1 763559101 YHGIDKDEJCJSQT-UHFFFAOYSA-N 403.439 -0.523 50 20 HBGD CC1(C)CN(S(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)CCO1 767852393 YQJWCXHHZLUQOB-UHFFFAOYSA-N 420.351 -0.358 50 20 HBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 780622119 QNWZOIVAFVVFQK-OCCSQVGLSA-N 411.415 -0.937 50 20 HBGD Cc1cc(C)c(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c(C)c1CC(=O)O 782250563 BBAVAOOBFKUGMA-NSHDSACASA-N 421.497 -0.514 50 20 HBGD CNS(=O)(=O)CCC(=O)OCC(=O)NNC(=O)c1cc(Cl)ccc1OC 783191193 DCMAZELMNAFTNY-UHFFFAOYSA-N 407.832 -0.408 50 20 HBGD CN(C)c1c(C=NNC(=O)COc2ccccc2[N+](=O)[O-])c(=O)n(C)c(=O)n1C 807951577 ASOJVWVAZDQKFK-UHFFFAOYSA-N 404.383 -0.413 50 20 HBGD Cc1c(C(=O)NNC(=O)N2CCN(C)CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 819721235 OXUCWKKNKJZCKT-UHFFFAOYSA-N 400.417 -0.848 50 20 HBGD CS(=O)(=O)CCN1CCC(NC(=O)NNC(=O)COc2ccccc2O)CC1 1251743053 GCWARIWVWKQELK-UHFFFAOYSA-N 414.484 -0.390 50 20 HBGD O=C(NNC(=O)c1ccc(N2CCOCC2)c(F)c1)N[C@@H]1CCS(=O)(=O)C1 1318302959 NPOAJYZVHZNTIR-GFCCVEGCSA-N 400.432 -0.207 50 20 HBGD CCOC(=O)C1(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)CC1 1783937986 ZYIIPEUXIVHSEM-IBGZPJMESA-N 424.498 -0.467 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)C(F)(F)Cl)C2)C1 1784172868 CTBIXGUIWJPLCK-HNNXBMFYSA-N 402.590 -0.359 50 20 HBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(O)O 1792797855 BLTLGJFLQLRNPK-QHBPRCKVSA-N 423.378 -0.966 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)[C@H]1Cc2ccccc2CN1 1796368944 NNFDVQJOXOSDJJ-CWQOZTLDSA-N 407.898 -0.110 50 20 HBGD O=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2)c1ccccc1 1830725967 SXSSYTYXLOXQMX-BEFAXECRSA-N 410.854 -0.075 50 20 HBGD CN1CCCC[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1830752081 NMNJSHFZCQRKQY-RKVPGOIHSA-N 403.907 -0.473 50 20 HBGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CNC(=O)O3)CCO2)C1 1831576666 VFTCDHCHTFVGID-ZETOZRRWSA-N 420.260 -0.665 50 20 HBGD O=C(CC1CCOCC1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1835415923 KYHQYAYIERRYIX-CRAIPNDOSA-N 404.891 -0.141 50 20 HBGD CC(C)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835929172 FCFWNHWUMGIBRR-LJQANCHMSA-N 408.235 -0.816 50 20 HBGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1)N1C[C@H]2C[C@H]2C1 1837279097 NIYOOMHEEFRCKE-MZZPOWALSA-N 415.918 -0.617 50 20 HBGD C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1837703031 SZEURNPBAXTGLO-MEDUHNTESA-N 408.282 -0.063 50 20 HBGD COc1ccc([C@H](O)C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)cc1 1841182987 OFVUXUPIXCCVLZ-IBGZPJMESA-N 424.262 -0.074 50 20 HBGD CNS(=O)(=O)c1cccc(S(=O)(=O)NNC(=O)COc2ccccc2O)c1 730811893 HFRQFBOPDAYIDH-UHFFFAOYSA-N 415.449 -0.311 50 20 HBGD O=C(CCNS(=O)(=O)c1ccc(F)cc1)NNC(=O)[C@H]1CCS(=O)(=O)C1 732307527 IYUCNHQIMPBALF-JTQLQIEISA-N 407.445 -0.924 50 20 HBGD Cc1cc(C)n(CC(=O)NNC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)n1 732473805 BOQJUZBLBUPIBW-CQSZACIVSA-N 416.504 -0.681 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@H]3CCN(C4CC4)C3)nc2)CC1 734279497 QKBPMARQGDWSQO-AWEZNQCLSA-N 423.543 -0.120 50 20 HBGD O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)COc1ccccc1O 742654207 TYHLIHRFBZIOAE-OMNBBPDLSA-N 403.391 -0.529 50 20 HBGD Cc1cccc(C(=O)NNC(=O)COC(=O)CCn2cc(S(N)(=O)=O)cn2)c1 744904931 RVJUDMLUQVHTIM-UHFFFAOYSA-N 409.424 -0.767 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 746331111 DVYWKUDXWMDOJB-NSHDSACASA-N 406.486 -0.912 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)o1 751201128 FXXVVKPMDUKGSO-UHFFFAOYSA-N 410.408 -0.152 50 20 HBGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccn(CCN(C)C)n2)cc1 763661310 NFVKJNPRZUCIDU-UHFFFAOYSA-N 404.427 -0.382 50 20 HBGD CCOC(=O)c1c(C)csc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764234803 ZWDUXZLYVYYBCU-MRVPVSSYSA-N 420.469 -0.743 50 20 HBGD C[C@H]1CN(c2ccc(NC(=O)C(=O)NNC(=O)[C@H]3COCCO3)cc2F)C[C@@H](C)O1 764432020 ICWSDXMLOWLXCX-BFQNTYOBSA-N 424.429 -0.059 50 20 HBGD C=CCOc1ccc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 765721969 QYFQPTPVPAJYAO-UHFFFAOYSA-N 412.406 -0.540 50 20 HBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 771942440 YCFQKWUDNVYYEH-WYRIXSBYSA-N 402.407 -0.131 50 20 HBGD COc1ccc(-c2cc(C(=O)NNC(=O)CN3CCN(C)C(=O)C3)n[nH]2)cc1OC 780976465 SEWWJPYQJJKEEN-UHFFFAOYSA-N 416.438 -0.371 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1cc2c(cc1F)CCC(=O)N2 784004469 OGORHMULCHLPOG-UHFFFAOYSA-N 417.353 -0.181 50 20 HBGD CCn1ncnc1CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 793461855 NUBPLWDNLHGNKH-UHFFFAOYSA-N 423.503 -0.545 50 20 HBGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 913210862 RKJAPICYXXJMPB-JTQLQIEISA-N 415.381 0.000 50 20 HBGD Cc1nn[nH]c1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2 1777745420 BWOJZUAKAWLLLS-AUUYWEPGSA-N 421.502 -0.386 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCC=CO3)C2)C1 1778984733 HFDYQKDFYRVQOX-JXFKEZNVSA-N 415.450 -0.179 50 20 HBGD C[C@@H](CS(C)(=O)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1784513469 DWISBXBPFVBGOK-PEDHHIEDSA-N 410.920 -0.754 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnnc3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979518 UJLWTPNWPSUUKQ-SZMVWBNQSA-N 410.239 -0.937 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCOCC1 1795326830 KGXUQLYPVJYIDV-XOIINTDNSA-N 417.466 -0.685 50 20 HBGD C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795732748 GEFDFHPACBSACC-NYCLONFESA-N 402.256 -0.839 50 20 HBGD O=C(CN1C(=O)CSC1=S)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1802104740 DVSWDQSKUHLUJA-WJZNIJOASA-N 421.928 -0.964 50 20 HBGD CNC(=O)CC(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1803476544 NKSVQHGAUMUSNG-JXFKEZNVSA-N 424.266 -0.783 50 20 HBGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)Cn3cncn3)C2)C1 1834822488 QCWZMFDGOMFEGX-OAHLLOKOSA-N 416.276 -0.481 50 20 HBGD N=C(N)SCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1835644064 QZDHRDJHMUAAEN-XHDPSFHLSA-N 408.908 -0.941 50 20 HBGD O=C(CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935712 NHBBSKSMNMXNJL-HXUWFJFHSA-N 402.256 -0.764 50 20 HBGD O=C([C@@H]1C=CCN1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1836479920 QKVDANZKZODUEO-HUBLWGQQSA-N 406.252 -0.339 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185809 XSMLYGWJAAHPPN-RDTXWAMCSA-N 418.922 -0.167 50 20 HBGD C[C@H](C(=O)N1CCCC12CN(C(=O)CCC(=O)NN(C)C)C2)N1CCN(C)CC1 1845100573 IORJRASKLXQFKB-MRXNPFEDSA-N 408.547 -0.801 50 20 HBGD Cc1nc2n(n1)C[C@@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)CC2 727229038 LIQBJBNIVLCTOW-ZDUSSCGKSA-N 421.483 -0.204 50 20 HBGD O=C(COC(=O)CCCN1C(=O)CCC1=O)NNC(=O)[C@H]1COc2ccccc2O1 728329111 RAOMLYQQCFWTAQ-CQSZACIVSA-N 419.390 -0.554 50 20 HBGD COc1ncnc(OC)c1C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 732050409 UNERLICLSQQWGG-UHFFFAOYSA-N 409.424 -0.181 50 20 HBGD C[C@@H]1CN(CCC(=O)NNC(=O)CN2C(=O)NC3(CCCCC3)C2=O)C[C@@H](C)O1 732260607 WHBCTJDTPVVXTH-ZIAGYGMSSA-N 409.487 -0.112 50 20 HBGD CN1CCN(C)[C@@H](CNC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)C1 732475062 RTNGIAVYPGVYFO-IBGZPJMESA-N 417.558 -0.225 50 20 HBGD O=C(NNC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1)[C@H]1Cc2ccccc2O1 748329524 LRAWPGJMIURPDI-MRXNPFEDSA-N 415.450 -0.503 50 20 HBGD Cc1cc(C)n(CC(=O)NNC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)n1 756658066 GHKZPEACIJEKNR-UHFFFAOYSA-N 404.431 -0.592 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Cc1csc(NC(=O)C(C)(C)C)n1 758031078 UTSQDDIOEPZEBU-MRVPVSSYSA-N 405.502 -0.245 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CN(C[C@H]1CCCO1)C(=O)OC(C)(C)C 758044937 AUOYNGARTFLCAT-VXGBXAGGSA-N 422.504 -0.512 50 20 HBGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2O)cc1 764275777 UQCUQEKBWJGIMP-UHFFFAOYSA-N 416.390 -0.318 50 20 HBGD O=C(CNC(=O)c1cccnc1)NNC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1 764342787 IQNSTGSNQINHON-HNNXBMFYSA-N 402.455 -0.113 50 20 HBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)C(F)F)c(=O)n2Cc1ccccc1 786828311 JBTLTNQVHAMRQP-UHFFFAOYSA-N 420.376 -0.160 50 20 HBGD Cc1cc(-n2cccn2)ccc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 789584121 DIMDVHJEFBJMIG-LLVKDONJSA-N 408.440 -0.796 50 20 HBGD N#CCNC(=O)CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 807555068 RSZIENDDPFMNAI-UHFFFAOYSA-N 422.467 -0.555 50 20 HBGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1cccc(-n2ccnn2)c1 807960711 KUVFXRQMXWSZDJ-UHFFFAOYSA-N 414.451 -0.308 50 20 HBGD CC(C)OCCS(=O)(=O)NCC(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1 812726931 MSOIKJXISHPNDC-UHFFFAOYSA-N 422.529 -0.276 50 20 HBGD C[C@H]1CN(CCC(=O)NNC(=O)CNS(=O)(=O)c2ccccc2F)C[C@@H](C)O1 912918761 DKOLBDWMWWJMKV-BETUJISGSA-N 416.475 -0.249 50 20 HBGD O=C(Cn1cnc2ccccc21)NNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 915188411 LLRAUZRHDTVDIE-OLZOCXBDSA-N 419.463 -0.781 50 20 HBGD CC(C)(C)NS(=O)(=O)CCNC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 916622382 NBEVZCXNUCUFGL-UHFFFAOYSA-N 410.460 -0.676 50 20 HBGD CC1CCN(CC(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)CC1 1783933816 ZKSDHYAALHUBKW-OAQYLSRUSA-N 423.558 -0.079 50 20 HBGD C[C@]1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)CCCN1 1786984762 GSQSAMCSJOESQU-QUJKESNLSA-N 415.299 -0.898 50 20 HBGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCNC(=O)C3)C[C@@H]21 1791257690 OOYWXIOLAKHINM-LXFSFDBISA-N 401.891 -0.254 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(F)(F)Cl)C2)c1cccc(B(O)O)c1 1795740728 JWGPMNDKUWAYCT-PTEHBNRSSA-N 402.590 -0.599 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCC(CO)CC1)C2 1801010848 ZNVCKIDXUXOGLQ-UQEIKLDCSA-N 424.542 -0.252 50 20 HBGD CCc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)nn1C 1801011870 NNWKEOYMTGSMOO-HBCWATKFSA-N 420.514 -0.441 50 20 HBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)[C@@H]1C=CCN1 1817982925 OLRFLCVVGQQFSP-DOTOQJQBSA-N 409.255 -0.077 50 20 HBGD O=C(CN1C(=O)C=CC1=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](O)CCl)[nH]n1 1822526085 CKXCSMYQSFHROU-RYUDHWBXSA-N 409.830 -0.074 50 20 HBGD N[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1)c1ccccn1 1835695492 LCKOSDQIUQDMOK-RLFYNMQTSA-N 412.874 -0.863 50 20 HBGD NC(=O)[C@H](N)CCC(=O)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836716904 WYYLZGQFZUCFEY-HUUCEWRRSA-N 418.922 -0.823 50 20 HBGD Cn1ccc(=O)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1838531785 GRWQKPJPCYPYKC-PBHICJAKSA-N 401.822 -0.010 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCOCC3)C2)C1 1839143599 BLNFDQNAWADJJF-MAUKXSAKSA-N 403.907 -0.208 50 20 HBGD C[C@H](NC=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1839154168 FDBPYZAVOUUJKE-RCBQFDQVSA-N 410.298 -0.186 50 20 HBGD CC(=O)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1839885655 JHIGEPQGXCWIDF-ZFWWWQNUSA-N 424.267 -0.341 50 20 HBGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1840036624 POULPPOOECDKMK-ABAIWWIYSA-N 403.229 -0.686 50 20 HBGD CC(C)/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840624914 PVZFVPXRHCMIQY-RPZUPEABSA-N 416.283 -0.351 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2cnc(OCF)cn2)C1 1842245257 MSNFCBHRSAGOIF-UHFFFAOYSA-N 408.434 -0.028 50 20 HBGD CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 734124221 XXFQDHVDRIQDNJ-NWDGAFQWSA-N 410.518 -0.902 50 20 HBGD C[C@@H](CNC(=O)NNC(=O)C1CCN(c2ncccn2)CC1)CN1CCOCC1 739060016 WCDSVYLLSYVSJS-HNNXBMFYSA-N 405.503 -0.008 50 20 HBGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1cccc(S(=O)(=O)NC)c1 740812426 INZIAVJUTRMIFD-UHFFFAOYSA-N 406.486 -0.791 50 20 HBGD CS(=O)(=O)NCCC(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 744621509 ZSTSQYOSGBFRBS-UHFFFAOYSA-N 406.486 -0.910 50 20 HBGD C[C@H](C(=O)NNC(=O)COc1ccc(F)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 746095978 LCLJGLRAIDVWGV-FBVUGSABSA-N 405.382 -0.097 50 20 HBGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)c1 749905273 AVBIOHRTDHNLNQ-CQSZACIVSA-N 424.460 -0.419 50 20 HBGD COCCN(C)S(=O)(=O)[C@H]1CCCN([C@H](C)C(=O)NNC(=O)CC(C)C)C1 753785157 ISHNNWONUVSRNN-CABCVRRESA-N 406.549 -0.059 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@H]2C[C@]23CCc2ccccc23)n(C)c1=O 765727776 MXSCZQGTDRBUMP-SZNDQCEHSA-N 422.445 -0.515 50 20 HBGD COC(=O)NNC(=O)COc1cn(-c2ccccc2)nc1C(=O)NNC(=O)OC 765835237 FXFSKNCTKCQQGN-UHFFFAOYSA-N 406.355 -0.361 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)[C@@]3(O)CCSC3)cc2)CC1 765873974 KPSBWAHUYDERMA-MRXNPFEDSA-N 400.526 -0.066 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@H]3CO[C@H](C)C3)CC2)cc1 784157930 UXQHPHUTFDUFSI-HZPDHXFCSA-N 424.523 -0.126 50 20 HBGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c(OC)c1 785482751 XZPZQEHGEOLSEU-JTQLQIEISA-N 406.438 -0.774 50 20 HBGD Cc1ccc(S(N)(=O)=O)cc1C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 789067679 WDEZQJFFWXBFFF-UHFFFAOYSA-N 401.408 -0.307 50 20 HBGD COC(=O)c1ccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c(N(C)C)c1 792409936 MBPVIZTUZXFUAP-VIFPVBQESA-N 401.445 -0.370 50 20 HBGD C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NNC(=O)COc1ccc(F)cc1 792809946 RVLKPYFXHYUGJV-SFHVURJKSA-N 422.413 -0.033 50 20 HBGD Cc1cccc(C(=O)NNC(=O)COC(=O)CNS(=O)(=O)c2ccccc2N)c1 800235934 UKDIBGQUGVEXIX-UHFFFAOYSA-N 420.447 -0.140 50 20 HBGD C[C@H]1CN(CCC(=O)NNC(=O)CNS(=O)(=O)c2cccc(F)c2)C[C@H](C)O1 912919280 LCWLEYWNLUBJIL-STQMWFEESA-N 416.475 -0.249 50 20 HBGD NNC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 916665765 NZBTUNBULVLCAJ-UHFFFAOYSA-N 413.456 -0.178 50 20 HBGD Cc1ccccc1CC(=O)NNC(=O)CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1 1319873771 TUMKKQFUWRRRHD-QGZVFWFLSA-N 408.524 -0.510 50 20 HBGD CN(CC(=O)N1CC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1)C(=O)C(=O)O 1782748273 QSWSXYJOVXFWPX-KRWDZBQOSA-N 415.519 -0.789 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786982826 APPDAHDPNTWOQL-LLLHUVSDSA-N 424.690 -0.787 50 20 HBGD CCO/C=C/C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786986578 MMNRFZOFVOPKOE-KDIJAQBXSA-N 402.256 -0.490 50 20 HBGD Cc1ncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)cn1 1794556931 GVGZBNDGNQCGPA-JLVBRIDZSA-N 404.471 -0.639 50 20 HBGD C[C@@](O)(CC(=O)O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCBr 1795116887 CZIHVUSOISHRCE-OJXGSEEGSA-N 421.288 -0.023 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1[C@H]3SC=C[C@H]31)C2)c1cccc(B(O)O)c1 1795741308 SXTHWRRURJUCQA-BONHGPHZSA-N 414.292 -0.555 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccccc1O)C2)c1cccc(B(O)O)c1 1795741332 VLOVDNFAUSIZJV-UPHUGPLXSA-N 424.262 -0.482 50 20 HBGD CC(=O)N1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](F)Cl)CC1 1796365092 QAMLHOWOVKJISZ-XRGAULLZSA-N 404.870 -0.726 50 20 HBGD CC(C)(C)OC(=O)N[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Cl 1796366880 JYFRXBGXHJRFNZ-VGDATSSVSA-N 409.842 -0.047 50 20 HBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@](C)(O)CC(=O)O 1801007529 DQVDQPLOOXWJLD-OAVKVSGMSA-N 406.863 -0.554 50 20 HBGD NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1812629230 VYWNKFGAGAWSIF-OXQOHEQNSA-N 424.266 -0.654 50 20 HBGD CN(C)C(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1835435907 WRYFPGUPBOFPNG-HOTGVXAUSA-N 410.298 -0.233 50 20 HBGD O=C(C1CC(O)C1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839198502 FZHKXGQPTLBHPW-UFDFEIGVSA-N 409.252 -0.096 50 20 HBGD O=C(CCc1ncc[nH]1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840323178 VIUNUQZHTQXWHW-GUYCJALGSA-N 400.863 -0.602 50 20 HBGD Cn1nc(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)c2c1CCC2 1843011261 LDHUIFMAWXFJBA-UHFFFAOYSA-N 408.267 -0.281 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)CCc1cnccn1)C2 1844265429 AXUZBGXMMWVHAK-UHFFFAOYSA-N 409.450 -0.075 50 20 HBGD COc1cc(OC)cc(C(=O)NNS(=O)(=O)c2cccc(S(N)(=O)=O)c2)c1 23392329 CDPGZLVRJMYGBC-UHFFFAOYSA-N 415.449 -0.026 50 20 HBGD Cc1nc(S(=O)(=O)NCCC(=O)NNC(=O)c2ccc(Cl)nc2)cn1C 725886860 QCRTUVZTHGULJN-UHFFFAOYSA-N 400.848 -0.093 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O 729275364 OCMZANVZDWYTCH-NXEZZACHSA-N 418.497 -0.904 50 20 HBGD NC(=O)CNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2F)o1 747429049 DFRQPKOJRKICMH-UHFFFAOYSA-N 418.790 -0.090 50 20 HBGD CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 749334895 GNHXEXLRRVDXEQ-ZBEGNZNMSA-N 424.454 -0.064 50 20 HBGD O=C(NNC(=O)[C@@H](c1ccccc1)N1CCC(O)CC1)N[C@@H]1CCS(=O)(=O)C1 751461495 UBCHPMDHDNJPLU-GDBMZVCRSA-N 410.496 -0.298 50 20 HBGD NS(=O)(=O)c1cc(C(=O)NNC(=O)Cc2cc[nH]n2)sc1Br 755285392 BAFDNGHDQATJHM-UHFFFAOYSA-N 408.259 -0.115 50 20 HBGD CCCc1csc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)n1 757924018 TYOXSHJVXBWAFN-UHFFFAOYSA-N 420.455 -0.304 50 20 HBGD CCN(CC(=O)NNC(=O)c1cccs1)CC(=O)N[C@@H]1CCS(=O)(=O)C1 762539004 JAWYKPKUHLMHMA-LLVKDONJSA-N 402.498 -0.866 50 20 HBGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 763288808 XZRLWEUNWNCSFB-UHFFFAOYSA-N 403.482 -0.369 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2F)cc1S(N)(=O)=O 763678244 BEJQAAOFONDETD-UHFFFAOYSA-N 424.410 -0.054 50 20 HBGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1cccc(S(=O)(=O)NC2CC2)c1 763823165 AXMPFFQXSPISKL-UHFFFAOYSA-N 417.447 -0.287 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2cccc(OCC(=O)O)c2)n(C)c1=O 764812707 PCXOFNVKTYMQOY-UHFFFAOYSA-N 414.378 -0.953 50 20 HBGD COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NNc2nc(O)c3cnn(C)c3n2)cc1 770975051 UBVJLSHEVRVIGW-VIFPVBQESA-N 421.439 -0.112 50 20 HBGD CC(C)[C@H](C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)N1CCCS1(=O)=O 772697539 OEGRSKZBOFSBLF-GFCCVEGCSA-N 421.520 -0.098 50 20 HBGD COCC(=O)NNC(=O)C(=O)Nc1cc2c(cc1N1CCCCC1)n(C)c(=O)n2C 800623316 LTDAQJAFFKEGJP-UHFFFAOYSA-N 418.454 -0.400 50 20 HBGD CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@H]1CCc2nncn2C1 816873050 WXRJJPAEUMVNSJ-JQWIXIFHSA-N 410.431 -0.556 50 20 HBGD O=C(CN1C(=O)COc2ccc(Cl)cc21)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919889002 KAPUCBKECVLZFX-SNVBAGLBSA-N 416.843 -0.417 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCC(=O)NC3)[C@H]2C1 1783632636 DWHCYTLPUCDQCF-YTFOTSKYSA-N 401.891 -0.254 50 20 HBGD O=C(CC[C@@H]1CCOC1)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1784808192 HARILPQFPWYLHC-IIBYNOLFSA-N 416.283 -0.373 50 20 HBGD O=C1CC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](F)Br)C[C@@H]32)=NN1 1788557070 FLMMNWFGWNVNIW-ZQCZZBHPSA-N 405.224 -0.468 50 20 HBGD Cc1ncncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791291545 XWVSCIRXTNOTGD-XIRDDKMYSA-N 418.498 -0.249 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[C@@H]1CCCCO1 1792564930 KBHQWFXCJXLNCR-MVJTYMMSSA-N 402.256 -0.861 50 20 HBGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NNC(=O)C1)C2 1792870387 GFYWWSIDLDIPNQ-XHSYRHOGSA-N 401.261 -0.517 50 20 HBGD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)no1 1794843659 IUOCPZFLDRKXHN-DRXBFXEBSA-N 414.422 -0.501 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@]1(F)Cl)C2)c1ccc(B(O)O)cc1 1795737015 TXDABSDZEWKBIM-WNLTYMPLSA-N 410.638 -0.506 50 20 HBGD C[C@](O)(CC(=O)O)CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796190460 ZNYZANOBXZUNLY-UIVXKWKOSA-N 418.255 -0.766 50 20 HBGD CC(C)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(CCO)CCO 1800577523 PWVQLEYUQORPLH-MIFYACCESA-N 405.923 -0.872 50 20 HBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)N1CCN(C)CC1)C2 1800977880 ZXQDPVUWROXKHK-UHDSXZAQSA-N 416.950 -0.534 50 20 HBGD CN(C)C(=O)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354579 JWELDHAOJYOOGD-GFCCVEGCSA-N 416.268 -0.863 50 20 HBGD CC(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1830023680 XAOSHLIPVNJGBI-IBGZPJMESA-N 414.503 -0.759 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3csnn3)CCO2)C1 1831755655 XVUQTSNKFWDGEO-XHDPSFHLSA-N 404.876 -0.138 50 20 HBGD C[C@H](Cn1cccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1833191803 VKSNXEDHSLUPAD-IIDMSEBBSA-N 414.890 -0.425 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)n(C)n3)CCO2)C1 1833411001 WTHIKLSMDWMFAP-PXAZEXFGSA-N 416.862 -0.551 50 20 HBGD CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1835675116 JOIYTBWUJABEIF-RDTXWAMCSA-N 416.906 -0.676 50 20 HBGD O=C(c1cnc2[nH]ncc2c1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1836808826 QIFSTHASIAKOGV-KSSFIOAISA-N 423.857 -0.372 50 20 HBGD COCCOCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](Cl)COC)CCO2 1840151403 AIVMJTOFDCBXKN-PBHICJAKSA-N 408.879 -0.640 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnc[nH]3)C2)C1 1840152212 BCCKKSUFXPJIMN-RHSMWYFYSA-N 400.863 -0.338 50 20 HBGD C[C@@H](CS(C)(=O)=O)C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 746883848 XEMTWDKTRHOMHA-ZDUSSCGKSA-N 418.541 -0.254 50 20 HBGD O=C(CN1CCN(C(=O)OCc2ccccc2)CC1)NNC(=O)C(=O)NC1CC1 747349855 MRFBFHBSUXMARA-UHFFFAOYSA-N 403.439 -0.633 50 20 HBGD Cn1nc(SCC(=O)NN=Cc2ccc(N3CCCC3)nc2)c(=O)n(C)c1=O 758374135 OROPNQCQINORRU-UHFFFAOYSA-N 403.468 -0.283 50 20 HBGD C=C[C@@H](CC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1 759610615 VWIOLHDQOGNHGT-ZDUSSCGKSA-N 410.434 -0.059 50 20 HBGD COc1ncnc(N(C)C)c1NC(=O)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 763574506 ZYOKFXFOGXGRNK-LBPRGKRZSA-N 416.394 -0.523 50 20 HBGD CCOC(=O)c1[nH]c(C)c(S(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1C 768495827 GMFIBWLSXCQAFS-SNVBAGLBSA-N 407.470 -0.448 50 20 HBGD CC(C)(C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)N1C(=O)c2ccccc2C1=O 771267408 UUJVHWDDVKNZLF-JTQLQIEISA-N 408.436 -0.421 50 20 HBGD CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 787881784 NDGWVGQYSJPGBN-MJVIPROJSA-N 408.411 -0.387 50 20 HBGD CO[C@@H](C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1)c1cnn(C)c1 798980745 ZLKWQVGMUGGJRX-GOSISDBHSA-N 414.466 -0.287 50 20 HBGD CC(C)(C)[C@H](NC(N)=O)C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 800333909 BDWRIVSEPUCOFW-MRXNPFEDSA-N 418.498 -0.325 50 20 HBGD CCOC(=O)c1cc(COC)cc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)c1 815570782 MEAYOPQBUMKKQI-CQSZACIVSA-N 409.395 -0.489 50 20 HBGD CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1c(C)nn(CCS(C)(=O)=O)c1C 1116285228 BLRZCWAZCDDKQJ-ZDUSSCGKSA-N 404.514 -0.181 50 20 HBGD Cn1c(=O)c2c(ncn2CCC(=O)NNC(=S)Nc2ccccn2)n(C)c1=O 1330287645 BMSKWLRCGSLECW-UHFFFAOYSA-N 402.440 -0.763 50 20 HBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)c1ncon1 1779931640 MJJBQICNJRICRJ-DNVCBOLYSA-N 414.227 -0.809 50 20 HBGD CCOCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1786500380 XPVYVBUSKLBRPF-RCBQFDQVSA-N 405.455 -0.685 50 20 HBGD Cc1cnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)cn1 1786979386 CKQNVFIUCMJDFE-IEZWGBDMSA-N 424.266 -0.628 50 20 HBGD O=C1CC(C(=O)NC2(c3ccc(NC(=O)c4ccc(B(O)O)cc4)cc3)CCC2)=NN1 1788142358 SUWZFNWONLRPRB-UHFFFAOYSA-N 420.234 -0.010 50 20 HBGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCCS3(=O)=O)C[C@@H]21 1791257377 CCJDALSLCTZCRQ-YYFQZIEXSA-N 422.931 -0.203 50 20 HBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnncc1C(=O)O 1798103426 OVOMXHSCLGGZRG-RDBQEKCUSA-N 412.830 -0.368 50 20 HBGD C[C@@H](CC(N)=O)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833306651 VRDOLPBFQZOQOO-SWLSCSKDSA-N 402.923 -0.331 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)n(C)n3)CCO2)C1 1833411002 WTHIKLSMDWMFAP-SJCJKPOMSA-N 416.862 -0.551 50 20 HBGD O=C(c1cccc(=O)n1O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1833472055 QQTZIOQOTHEJKZ-CZUORRHYSA-N 403.794 -0.310 50 20 HBGD O=C(c1ncon1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839200888 RLYSKXLHBSVGEE-TVQRCGJNSA-N 407.196 -0.170 50 20 HBGD CS(=O)(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1840549248 CLGGFDODMOJVLN-GXTWGEPZSA-N 400.856 -0.588 50 20 HBGD CS(=O)(=O)c1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H](O)CCl)nc1 1847556435 KWLARVULSMLYBC-MELADBBJSA-N 401.872 -0.100 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cccc(C(F)(F)F)c2)n(C)c1=O 729952934 FZCKVQIWAAXYCA-UHFFFAOYSA-N 424.339 -0.086 50 20 HBGD Cn1cnnc1SCc1ccc(C(=O)NNS(=O)(=O)N2CCOCC2)cc1 733876373 MUNFZNXUXATSGP-UHFFFAOYSA-N 412.497 -0.081 50 20 HBGD Cn1cc(C(=O)NNC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)cn1 735471083 MPDLOZVCGBCEIO-UHFFFAOYSA-N 423.451 -0.289 50 20 HBGD CCOc1cc(C(=O)N(C)C)ccc1NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 756869485 WQSVVBJLVCDQTH-JTQLQIEISA-N 415.472 -0.123 50 20 HBGD NC(=O)c1ccc(NNC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)nn1 757401707 DPZMNZQBIGYYLU-UHFFFAOYSA-N 400.367 -0.335 50 20 HBGD O=C(NNS(=O)(=O)c1ccc(Br)o1)N[C@@H]1CCS(=O)(=O)C1 758940134 LAPYATSEHPDNQS-ZCFIWIBFSA-N 402.248 -0.278 50 20 HBGD NC(=O)[C@H]1CC[C@H](CNC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)O1 760204916 WAMFFTLQHKBTIC-IAGOWNOFSA-N 418.498 -0.438 50 20 HBGD CCO[C@H]1C[C@@H]1C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 766637129 YEIWRCAQWKIOMY-IRXDYDNUSA-N 424.523 -0.126 50 20 HBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 772168730 ZVMYSKYAVZSBNH-LLVKDONJSA-N 413.452 -0.316 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NN=Cc3cnc(N)nc3)CC2)cc1 781594236 CTNFOFLYHBUHTJ-UHFFFAOYSA-N 417.495 -0.176 50 20 HBGD COC(=O)c1cccc(Cl)c1S(=O)(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 790046090 VYMAPUYYZNWALQ-MRVPVSSYSA-N 410.857 -0.129 50 20 HBGD C[C@@H]1CCCN(C(=O)C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)C1 805564114 FLRGRTATOMQISV-DOMZBBRYSA-N 405.407 -0.225 50 20 HBGD CCOC(C)(OCC)C(=O)NNC(=O)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12 807369211 PQPHBCPAZGJKDM-UHFFFAOYSA-N 424.439 -0.352 50 20 HBGD O=C1CN(Cc2cccc(NC(=O)C(=O)NNC(=O)c3ccc(O)cc3)c2)CCN1 812982822 SHMAZNBOMKCKGM-UHFFFAOYSA-N 411.418 -0.276 50 20 HBGD CC(C)n1nc(C(=O)NNC(=O)CN2CCS(=O)(=O)CC2)c2ccccc2c1=O 916092815 IMKHGKNGJYPTSQ-UHFFFAOYSA-N 421.479 -0.531 50 20 HBGD CC(C)(C)NS(=O)(=O)CCNC(=O)NNC(=O)[C@H]1COc2ccccc2O1 916622549 ZGNSXUSYNMBFGY-CYBMUJFWSA-N 400.457 -0.125 50 20 HBGD N#Cc1c[nH]c(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1 1779032822 WUXHEEAAOBIPHP-FQEVSTJZSA-N 423.433 -0.358 50 20 HBGD O=C([C@H](F)Br)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1779097970 UDEZUAYPEOZHSB-NJZAAPMLSA-N 424.267 -0.843 50 20 HBGD COC[C@H](NC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2 1779554541 WMQWPLZEVMTVCA-OIPACUDHSA-N 419.906 -0.749 50 20 HBGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC[C@@H](N)C(N)=O)C2 1782170561 QSHTZQKJWZJEPQ-UHQDVWGKSA-N 418.922 -0.653 50 20 HBGD C[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)C[C@@H]3NC(=O)NC3=O)CCO2)C1 1783528756 AAWXEWAWCLGAAA-YHAQOWFVSA-N 417.260 -0.802 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C(F)(F)Cl)C[C@@H]21)c1cccc(B(O)O)c1 1786986451 BYNXCRCDRUYMQY-UBHSHLNASA-N 416.617 -0.209 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)[C@@H]1CCCS1 1791801634 VDYVAIXMDVAHRJ-DKIMLUQUSA-N 418.324 -0.145 50 20 HBGD O=C(CCBr)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)n1)C2 1795112594 LOBJVYWPDJFETE-YFKFIEJBSA-N 415.244 -0.124 50 20 HBGD CCNC(=S)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CO[Si](C)(C)C 1797957483 RSRRSKLPOJSQRZ-YWVIFJGQSA-N 416.620 -0.089 50 20 HBGD CN1CC(C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)C1 1807373721 FALCMBOINMOROW-XLIONFOSSA-N 422.294 -0.357 50 20 HBGD CNc1nsnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1829749073 PVIMDJBVIXYANZ-ZUZCIYMTSA-N 419.891 -0.751 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccnc1)CCO2 1834009915 OFWAAGLFNLEBQP-HXUWFJFHSA-N 419.482 -0.475 50 20 HBGD C[C@@H]1C[C@@]1(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835931088 FULQHURMCYVSSD-LPTQZCDUSA-N 416.283 -0.518 50 20 HBGD O=C(CCn1ccnn1)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840190653 GQFIIJMLIJNPHB-OAHLLOKOSA-N 406.270 -0.072 50 20 HBGD Cc1nc2ncccn2c1C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014104 XTSKKENHIMWVGG-UHFFFAOYSA-N 419.250 -0.152 50 20 HBGD O=C(Nc1cccnc1)C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1844341285 TWRQEYVIQFOPHF-UHFFFAOYSA-N 408.223 -0.783 50 20 HBGD CC(C)CS(=O)(=O)CC(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 728329897 XNJQDWISBQFVEU-CQSZACIVSA-N 414.436 -0.412 50 20 HBGD CCS(=O)(=O)N1CCC[C@H](C(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)C1 732259498 FVEJKAXCYHEXFL-KFWWJZLASA-N 404.533 -0.305 50 20 HBGD C[C@@]1(C2CC2)NC(=O)N(CC(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)C1=O 744496585 DBZXCEKPJJNMGW-IBGZPJMESA-N 413.390 -0.417 50 20 HBGD Cc1cc(=O)c(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c[nH]1 746093293 OGJZLJUVGPZYOV-UHFFFAOYSA-N 420.447 -0.221 50 20 HBGD Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)C(=O)NNC(=O)CN(C)C 764204075 OKMVHSRZVPCJLH-UHFFFAOYSA-N 403.361 -0.065 50 20 HBGD COc1ncc(NC(=O)C(=O)NNC(=O)COCc2ccccc2)cc1C(N)=O 764365809 CKNKOUMAOLLRLO-UHFFFAOYSA-N 401.379 -0.508 50 20 HBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNS(=O)(=O)C[C@H]1CCCO1 765119197 SYIMFDZCXLSVIL-MRXNPFEDSA-N 410.496 -0.426 50 20 HBGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)C3=NN(C)C(=O)CC3)CC2)cc1 765756367 VFDKUPFSYFULME-UHFFFAOYSA-N 400.483 -0.132 50 20 HBGD COc1cccc(C[C@@H](C(=O)NNC(=O)N2CCN(C)CC2)n2nnnc2C)c1 773671724 AUYKJRDBRAZJGV-INIZCTEOSA-N 402.459 -0.238 50 20 HBGD CCOC(=O)c1cnc(NNC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)nc1C 778425139 LWMFEQKEGFUFFT-HBJVGIJOSA-N 403.395 -0.433 50 20 HBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1C(=O)OC 784916581 RAXZJYAWNJZFKE-UHFFFAOYSA-N 407.427 -0.059 50 20 HBGD COc1cncc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 799121060 YYYVSNFBXYRZIX-UHFFFAOYSA-N 414.465 -0.036 50 20 HBGD O=C1COC[C@H](C[C@H]2CN(C(=O)C(=O)NNC(=O)C3CCC3)c3ccccc32)N1 806980131 PKWCTZBXNPBTJT-KBPBESRZSA-N 400.435 -0.031 50 20 HBGD O=C(C[C@@H]1CCCC(=O)N1)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 809724633 SGEVQPOTMSXACC-INIZCTEOSA-N 401.467 -0.349 50 20 HBGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CC[C@@H](B(O)O)C2)o1 864230610 BAXORQTYVJKHPB-VXGBXAGGSA-N 414.245 -0.315 50 20 HBGD NS(=O)(=O)N1CCC(C(=O)OCC(=O)NNC(=O)c2cccc(Cl)c2)CC1 914898296 MCWXMMBPNAULMV-UHFFFAOYSA-N 418.859 -0.440 50 20 HBGD Cn1nc(C(=O)NNC(=O)CS[C@@H]2CCS(=O)(=O)C2)c2ccccc2c1=O 1317718615 BCDJMTYUDULDBW-SNVBAGLBSA-N 410.477 -0.385 50 20 HBGD CC(=O)N1CCN(CC(=O)N2CCO[C@@]3(CCN(C(=O)C(Cl)Cl)C3)C2)CC1 1783948098 VEUPJMWIOZKXNN-KRWDZBQOSA-N 421.325 -0.216 50 20 HBGD COc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)CCl)C[C@@H]32)n(C)n1 1785613692 GDPAKKXFQDWYKQ-VTPLQMEGSA-N 400.863 -0.378 50 20 HBGD CC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)n4[nH]nnc4n3)[C@H]2C1 1787270776 SJUXYOHVTYCHMO-ZPFDUUQYSA-N 423.861 -0.577 50 20 HBGD CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Cl)C2 1792887956 NHHDGZNYEABLCV-MLGHIDQZSA-N 423.869 -0.004 50 20 HBGD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)ccn1 1795734425 OOTBFNUUXMMMQV-IZZQQSIFSA-N 409.251 -0.413 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccoc1)C2)c1ccc(B(O)O)cc1 1795736765 FPLRDHMGGBGSMJ-XEMDLRDOSA-N 412.251 -0.205 50 20 HBGD CC(=O)C[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795740951 RNRYFJRZWDBXNR-GMLZMKKNSA-N 402.256 -0.815 50 20 HBGD Cc1cc(/C=C/C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)no1 1797834508 KRKKBZUIOVRSEF-QKBRYTTJSA-N 419.482 -0.041 50 20 HBGD CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1799394034 RUPRFGPPPDKOGX-SCNOPHJPSA-N 417.271 -0.630 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2)[C@H]1CCCS1(=O)=O 1800392438 OVIVRQWPVVXFTB-GFQSEFKGSA-N 423.329 -0.062 50 20 HBGD NC(=O)[C@H](N)CCC(=O)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@@H]1c1cccnc1 1807192697 XHDHAWDBQVKWOB-DSJMHWKBSA-N 411.890 -0.720 50 20 HBGD Cn1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)n1 1833882816 BCLNFCQTGVPWNR-YGRLFVJLSA-N 420.239 -0.424 50 20 HBGD Cc1cnn(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1 1836193881 ZUYFWIVDVJGDQK-WMLDXEAASA-N 400.863 -0.752 50 20 HBGD O=C(c1cnn2ncccc12)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011112 RYQFGZUGTLLJSA-UHFFFAOYSA-N 405.223 -0.460 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)[C@H]2CCCS2(=O)=O)C1 1845913405 DYNBYGDNTJJZNB-CQSZACIVSA-N 421.479 -0.921 50 20 HBGD COc1cc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cnccc2C(=O)NN)n(C)n1 1848341268 RMJPIEHOAQFVPC-KBPBESRZSA-N 413.438 -0.444 50 20 HBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)cn1C 745976133 DSFWAQSGUHXOAE-UHFFFAOYSA-N 415.449 -0.162 50 20 HBGD NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)NNC(=O)Cc3ccncc3)CC2=O)c1 747429928 VYYRGQBZWRLRBK-ZDUSSCGKSA-N 417.447 -0.528 50 20 HBGD CS(=O)(=O)N1CCC[C@H]1C(=O)OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 750445626 GIJWJBGPKLFZLM-LBPRGKRZSA-N 414.396 -0.677 50 20 HBGD CNC(=O)CCOC1CCN(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 752335304 DJCQRCWIAQUYQV-UHFFFAOYSA-N 407.427 -0.027 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)Nc2cccc(C(N)=O)n2)c1 757738676 SECRHDZCZZGSNC-UHFFFAOYSA-N 406.424 -0.103 50 20 HBGD COC(=O)c1cc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)on1 781431448 QXKFDNLDXQCVTB-UHFFFAOYSA-N 415.406 -0.320 50 20 HBGD Cc1cc(C)c(S(=O)(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c(C)c1CC(=O)O 782249214 GCBDUXSJODIUBQ-LBPRGKRZSA-N 418.493 -0.017 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNS(=O)(=O)c2cnn(C)c2C)cc1 793350177 GHFNGACJRCTGNX-UHFFFAOYSA-N 415.497 -0.333 50 20 HBGD Cc1nnc(COCC(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)s1 803724067 HUSFVFJTYPAXTN-ZDUSSCGKSA-N 422.419 -0.106 50 20 HBGD CN1CCN(C(=O)NNC(=O)c2ccc(S(=O)(=O)N=c3cc[nH]cc3)cc2)CC1 807381948 QCRPDOGCSJUBEJ-UHFFFAOYSA-N 418.479 -0.094 50 20 HBGD CC(C)NC(=O)C(=O)NNS(=O)(=O)N(C)C1CCN(C(=O)OC(C)(C)C)CC1 808071102 MPPRYHQRUMOYPD-UHFFFAOYSA-N 421.520 -0.292 50 20 HBGD CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNC(=O)[C@H]1CCCO1)CC2 815778099 BRIGYDSGBSQLEA-CQSZACIVSA-N 410.452 -0.800 50 20 HBGD Cn1nc(C(=O)NNC(=O)CNS(=O)(=O)c2cccs2)c2ccccc2c1=O 915190949 VHHATXKOEXWTMV-UHFFFAOYSA-N 421.460 -0.266 50 20 HBGD COc1ccc(C(=O)NNC(=O)CN2CCC3(CC2)NC(=O)NC3=O)cc1OC 1320287725 MNTMGPZDNATDBS-UHFFFAOYSA-N 405.411 -0.861 50 20 HBGD N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)CC1 1786696342 VLVNDAGOCBVDGD-RCBQFDQVSA-N 412.450 -0.418 50 20 HBGD O=C1NCCn2nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)[C@H](F)Cl)[C@H]4C3)cc21 1787445788 QCGPJAJFMLOMIB-NUZBWSBOSA-N 413.837 -0.246 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)[C@H]1C[C@@]1(F)Cl 1791366336 AVNZUIRNGKYOQS-AFFGTUGMSA-N 424.665 -0.116 50 20 HBGD CCS(=O)(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1793538980 JMDSTDNLJVKQJV-MUJYYYPQSA-N 408.285 -0.947 50 20 HBGD Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)nc1C 1795732561 VNORRWDJQBEZSF-XEMDLRDOSA-N 423.278 -0.105 50 20 HBGD Cc1nc[nH]c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1796608320 XNITXWRTQHWLSE-DRXBFXEBSA-N 413.438 -0.766 50 20 HBGD CN(C)C(=O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817474886 IQWWUKNLRLKCQU-OAHLLOKOSA-N 413.243 -0.516 50 20 HBGD C[C@H](NC=O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1820875013 FCGMDBPEDWRAGQ-LRDDRELGSA-N 413.243 -0.470 50 20 HBGD O=C([C@H](O)CCl)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)c3ccco3)C2)C1 1830719972 QCAIFNKIRKXGBA-HACGYAERSA-N 402.831 -0.631 50 20 HBGD CCc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)no1 1830732050 PTTOIMZHBIFLJM-YOEHRIQHSA-N 401.847 -0.093 50 20 HBGD CC[C@H](O)C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1833260903 VWVJAPRTXQUKAD-KRWDZBQOSA-N 411.547 -0.298 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3c(C)noc3N)CCO2)C1 1835628627 DCAGAYHNQRXASH-YVEFUNNKSA-N 416.862 -0.111 50 20 HBGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CC[C@H](N)C(N)=O)CCO2)C1 1835736345 RGQVXSALRWTCJY-DEYYWGMASA-N 418.922 -0.557 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1837715996 WALJQWUTRQZUDM-KDOFPFPSSA-N 413.547 -0.570 50 20 HBGD O=C(CSc1nc[nH]n1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012641 KOCLPXMIJUDKBA-UHFFFAOYSA-N 401.257 -0.906 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)[C@@H]2CCc3nc[nH]c3C2)C1 1846549654 XXAYQWGZSOBCRZ-OAHLLOKOSA-N 408.267 -0.288 50 20 HBGD Cc1ccc(OCC(=O)NNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)cc1 727240323 BRPDHCAKKWVHQC-UHFFFAOYSA-N 413.500 -0.719 50 20 HBGD CCC(=O)NNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 731848699 LSAVJVXCSISHQB-LBPRGKRZSA-N 408.484 -0.185 50 20 HBGD Cc1ccc(OCC(=O)NNC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cc1C 742472222 NKZQTLWBQIKREM-DTTOXWODSA-N 401.419 -0.008 50 20 HBGD COc1ccccc1OCC(=O)NNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 746387602 NAOFNQXONRBFKZ-HNNXBMFYSA-N 420.466 -0.598 50 20 HBGD NC(=O)[C@@H]1CC[C@H](CNC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)O1 760204920 WAMFFTLQHKBTIC-SJORKVTESA-N 418.498 -0.438 50 20 HBGD COc1ncnc(N(C)C)c1NC(=O)C(=O)NNC(=O)COCc1ccccc1 764362610 FULZPPNTLBUTHO-UHFFFAOYSA-N 402.411 -0.146 50 20 HBGD CCN(CC)CCOc1ccccc1NC(=O)C(=O)NNC(=O)[C@@H]1COCCO1 764431534 CXKLPZOTJZITQS-INIZCTEOSA-N 408.455 -0.092 50 20 HBGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1 764433339 MLCAFKOVDDPFEO-OAHLLOKOSA-N 404.423 -0.140 50 20 HBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 771997394 LRVJTXDEOWAGSK-GFCCVEGCSA-N 412.468 -0.029 50 20 HBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 778701214 WLWZKJMNDMUWRT-IMIFBBOLSA-N 421.454 -0.351 50 20 HBGD COC(=O)c1scc(C)c1S(=O)(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 785484863 AAVWJRUNSBRBSR-MRVPVSSYSA-N 411.483 -0.477 50 20 HBGD CCOC(=O)c1ccc(F)c(S(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 795291011 PSIIYOOCVKBVBQ-SNVBAGLBSA-N 408.429 -0.253 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCCN2CCOCC2)c1 915880763 YJRCQZYUOVWRKP-UHFFFAOYSA-N 413.500 -0.397 50 20 HBGD COc1ccc(CCC(=O)NNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1 919836265 JHGIPTQTODMBNT-GJZGRUSLSA-N 423.491 -0.189 50 20 HBGD C[C@@H]1CN(c2ccnc(C(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)c2)C[C@@H](C)O1 1116799965 MSSIFERZZBSGIN-JHJVBQTASA-N 411.484 -0.174 50 20 HBGD C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1778969218 GJOYOOHMDOKHPA-DYESRHJHSA-N 416.283 -0.617 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnc(O)[nH]2)C1 1779781280 RPHOKCXQUNWMFX-AUUYWEPGSA-N 422.486 -0.384 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)CCN3CCOC3=O)CCO2)C1 1783876571 YLVFVBCCOBZNEP-SUMWQHHRSA-N 403.863 -0.088 50 20 HBGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1)N1CCN(C)CC1 1784091961 ADCAWJLRAAQVNX-HMDCTGQHSA-N 416.950 -0.798 50 20 HBGD O=C(Cc1ccccc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1795218296 XZSLOJPJQOGQFZ-RMFSNUHRSA-N 408.263 -0.188 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC1CCOCC1 1795459615 HCKVDZQAEAJJRY-CWPLJXCYSA-N 410.515 -0.234 50 20 HBGD CCC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNCP(=O)(O)O 1795519317 NXRGCYOEHAOPDQ-GFQSEFKGSA-N 411.823 -0.292 50 20 HBGD CCCNC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796189802 BZNAUKWSYXNFDA-BCDXTJNWSA-N 415.299 -0.075 50 20 HBGD CCOC(=O)N[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)Br 1800758993 BYTYISQSOPMRJT-JPYZYGQNSA-N 422.276 -0.576 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnc1S)C2 1801009263 WXUKCZQOHWLITP-FVCICTRLSA-N 421.523 -0.054 50 20 HBGD O=C(c1cnn2cccnc12)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731779 PAEOMZMZUIFKLH-KBXCAEBGSA-N 423.857 -0.601 50 20 HBGD CN[C@H](CC(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)C(=O)O 1836716640 HFQJPYGFBSAHSQ-CABCVRRESA-N 419.906 -0.353 50 20 HBGD O=C(c1ccc(F)nc1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837840651 UEKDVJQOABLGFN-SUMWQHHRSA-N 401.822 -0.110 50 20 HBGD C[C@@H](Nc1cnccn1)C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844264430 RSCKRDIXWCXNDU-CYBMUJFWSA-N 424.465 -0.207 50 20 HBGD Cn1ccc(=O)cc1C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844264631 RMOACOBJSFRZAY-UHFFFAOYSA-N 410.434 -0.485 50 20 HBGD O=C(CNC(=O)c1cccc(Br)c1)NNC(=O)[C@H]1CCS(=O)(=O)C1 9931131 XYBWZRNOFJNFNG-JTQLQIEISA-N 418.269 -0.239 50 20 HBGD C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)Cn1ccc(=O)[nH]c1=O 15762822 HGUGBEUFJZMLEV-SECBINFHSA-N 411.212 -0.086 50 20 HBGD CS(=O)(=O)N1CCC[C@@H](NC(=O)NNC(=O)CNC(=O)c2cccs2)C1 726242621 WBNQAKPEGJLQSJ-SNVBAGLBSA-N 403.486 -0.768 50 20 HBGD CC(=O)c1ccc(S(=O)(=O)NCC(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)cc1 728180366 YZEGVJRGZCOAGN-AWEZNQCLSA-N 417.509 -0.340 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 728510248 VFQMFCCQBMRRQR-LURJTMIESA-N 400.822 -0.505 50 20 HBGD O=C(CSc1nnc(O)nc1O)NN=C1CCN(CCN2CCOCC2)CC1 731559085 SVGKPCLUSCIQPK-UHFFFAOYSA-N 411.488 -0.725 50 20 HBGD CN(C)CC(=O)NNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 733359224 IMRBKAQNVNSLAF-GFCCVEGCSA-N 410.452 -0.667 50 20 HBGD COc1ccc(OCC(=O)NNC(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)cc1 735583771 DXKPKYDJWDDLOA-OAHLLOKOSA-N 402.411 -0.057 50 20 HBGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1cc(CC(=O)O)ccc1OC 740812524 NLSCARSJORRSOJ-UHFFFAOYSA-N 401.441 -0.063 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(-n3ccnc3)nn2)c1 750660335 VFRFCGNLQDXYNE-UHFFFAOYSA-N 415.435 -0.013 50 20 HBGD O=C(CNC(=O)c1cccs1)NNC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 751211949 YOBGDIVKRSBPGA-FCIDVOKBSA-N 402.432 -0.568 50 20 HBGD CSCC[C@@H](NC(=O)c1ccccc1)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 758042751 AHZLCMDCXSECBB-WCQYABFASA-N 416.525 -0.377 50 20 HBGD CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNC(=O)c1ccccc1)CC2 763432056 XRNQHDOKQQBEKP-UHFFFAOYSA-N 402.432 -0.055 50 20 HBGD CC[C@H](C)C(=O)NNC(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 764081207 HPJGUTBOWRTJID-XJKSGUPXSA-N 418.450 -0.167 50 20 HBGD COc1cc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c(OC)cc1Cl 764229806 CFYCCYZEYKFRFV-ZETCQYMHSA-N 422.847 -0.619 50 20 HBGD Cc1sc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1[N+](=O)[O-] 765726352 AEOUKOZQJCCFRF-UHFFFAOYSA-N 421.395 -0.827 50 20 HBGD CCOC(=O)[C@@H](CC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(C)=O 816810245 FIFLZJGVGGGKBD-AWEZNQCLSA-N 413.452 -0.144 50 20 HBGD COc1ccccc1NCC(=O)NNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 914832354 WGWQRTNQDPJDLL-OLZOCXBDSA-N 424.479 -0.710 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1c(F)cccc1Br 1116263655 WKSMTIAEWNKHIW-ZCFIWIBFSA-N 418.266 -0.165 50 20 HBGD CNS(=O)(=O)c1ccc(CC(=O)NNc2nccc(N3CCOCC3)n2)cc1 1320167878 WYVPBIZMUBZMAA-UHFFFAOYSA-N 406.468 -0.093 50 20 HBGD C[C@H](C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)N1C[C@H]2C[C@@H]2C1 1778863379 IYGFWYPICXKLKV-LHUKNYEISA-N 421.542 -0.471 50 20 HBGD CC(=O)N(C)CCC(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783933567 QGCBQKUZPJFEQS-LJQANCHMSA-N 411.503 -0.942 50 20 HBGD CCC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@H]3NC(=O)NC3=O)[C@H]2C1 1785149533 MXOZQHAWJRIFAJ-PEDHHIEDSA-N 414.890 -0.028 50 20 HBGD CC(C)(C)OC(=O)N[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792979709 BJNZPMIGVJTJRH-XJBAAKRRSA-N 421.878 -0.981 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)c1ccccc1)C2)c1cccc(B(O)O)c1 1795737453 HVSACLUYZCSEOT-PIKOESSRSA-N 424.262 -0.697 50 20 HBGD COc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)nn1 1796191962 VFMXZXPODYEDQM-MUJYYYPQSA-N 410.239 -0.269 50 20 HBGD CC(=O)NC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798439655 SZHPHIDKMDBQQB-BTTYYORXSA-N 416.482 -0.148 50 20 HBGD O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807367784 MJDKRFALNWTTFQ-UZLBHIALSA-N 421.218 -0.831 50 20 HBGD CCOC(=O)O[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830736066 QXDNHRBRJIPCEZ-PBFPGSCMSA-N 422.862 -0.396 50 20 HBGD O=C(c1cnnc(Cl)c1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1833203764 JBJFTXFVJQFNET-BLLLJJGKSA-N 419.265 -0.200 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)n[nH]3)CCO2)C1 1835858759 JXRQFHILXOETPO-MEDUHNTESA-N 402.835 -0.561 50 20 HBGD CCNC(=S)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](Cl)CC)CCO2 1839148414 XSYJNGARABPBGY-GUYCJALGSA-N 420.963 -0.056 50 20 HBGD C[C@H](NC=O)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1839201717 HIXDRYDXNRLYNM-WDMOLILDSA-N 410.240 -0.732 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(F)CCC3)C2)C1 1840186023 WLFUIJXLSYNCSZ-SFHVURJKSA-N 414.478 -0.292 50 20 HBGD Cn1c(=O)[nH]c(=O)c2[nH]c(CCC(=O)NNC(=O)c3ccc4c(c3)OCO4)nc21 144145261 FLFXQQCIQVFFCJ-UHFFFAOYSA-N 400.351 -0.928 50 20 HBGD O=C(CCN1CCN(c2ccccn2)CC1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 746163587 POEQQEPGGLJSEJ-CQSZACIVSA-N 410.500 -0.889 50 20 HBGD COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NNC(=O)Cc2cc[nH]n2)C1=O 755284921 IOCPQUWPUVXYBN-GOSISDBHSA-N 400.395 -0.425 50 20 HBGD COc1cc(Cl)ccc1C(=O)NNC(=O)CN1CCN(S(C)(=O)=O)CC1 759687615 BVPWJOMPGVTNAL-UHFFFAOYSA-N 404.876 -0.313 50 20 HBGD CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)NNC(=O)[C@H]1COCCO1 761270079 GNJBMEDINVYCDB-GFCCVEGCSA-N 423.469 -0.818 50 20 HBGD Cc1cc(C(=O)NNC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)n[nH]1 763138984 SUIGOSNVOPQYFZ-UHFFFAOYSA-N 408.440 -0.723 50 20 HBGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c2ncccc12 770770805 CGZHCHTUTUXOJY-VIFPVBQESA-N 409.424 -0.733 50 20 HBGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)NNC(=O)CN(C)C 775446354 YYPSBOWYSJLJMG-UHFFFAOYSA-N 415.472 -0.570 50 20 HBGD CC(C)(C)OC(=O)NCC(=O)NNS(=O)(=O)c1ccc(S(C)(=O)=O)nc1 794595838 KXGSTABWJTWZEI-UHFFFAOYSA-N 408.458 -0.681 50 20 HBGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 795161566 PVXRCHRHGZQZGU-BHTHQVBYSA-N 422.463 -0.458 50 20 HBGD CCOc1ccccc1OCC(=O)NNC(=O)CNS(=O)(=O)c1cccnc1 809940269 FCHSOCNWWRYFMC-UHFFFAOYSA-N 408.436 -0.015 50 20 HBGD Cn1nc(SCC(=O)NNC(=S)Nc2ccc(Cl)nc2)c(=O)n(C)c1=O 1115960430 SGJPJFWAISFOGM-UHFFFAOYSA-N 415.888 -0.363 50 20 HBGD COC[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779028273 BGOGBZGLJNLXQZ-YJYMSZOUSA-N 405.455 -0.589 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(CN(C(=O)/C=C/c3cnc[nH]3)CCO2)C1 1783937033 DQTQIQJJSVJXDQ-MEDHRJKHSA-N 404.471 -0.374 50 20 HBGD CSCC[C@@H](O)C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1783974013 QULCFIYFYCKLEU-RDTXWAMCSA-N 416.544 -0.697 50 20 HBGD O=C1NC[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](F)Br)C[C@@H]32)O1 1784580770 IUGMMWYTNPBNTA-QHZLYTNSSA-N 408.224 -0.235 50 20 HBGD C=CC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791291306 SGQFAASTXWTFCR-UGUYLWEFSA-N 423.514 -0.970 50 20 HBGD N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)CCC1 1792139086 KONVWLMECLPHSA-SZMVWBNQSA-N 411.267 -0.346 50 20 HBGD CCc1oncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1794947075 SRMJJSPVZXGSFS-IVWMJMPLSA-N 407.471 -0.187 50 20 HBGD CC(=O)NC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796187898 KHTKRMGJNNURNC-BJWYYQGGSA-N 401.272 -0.467 50 20 HBGD CC(C)CNC(=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1796917146 GPUMHAPLWZUHPG-BTTYYORXSA-N 416.482 -0.291 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC1(F)F 1797158917 DTNFHRYQGIICMI-DJBIQUGXSA-N 409.393 -0.457 50 20 HBGD CCOC(=O)N[C@H](O)C(=O)N1CCC2(CCCN(C(=O)[C@@H](O)CCl)C2)CC1 1805524621 WDDWWQWIWZGQHZ-QWHCGFSZSA-N 405.879 -0.118 50 20 HBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)[nH]n1)[C@H](O)CCl 1814867122 GBCXOWLBJMCWPI-WDEREUQCSA-N 412.834 -0.447 50 20 HBGD O=C1CN(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@H](O)CCl)[nH]n2)C(=O)N1 1815664305 RJZHHVXMQJAKEL-WDEREUQCSA-N 412.834 -0.447 50 20 HBGD O=C(N[C@@H]1CCc2nc(NC(=O)[C@@H]3C=CCN3)sc2C1)c1cccc(B(O)O)c1 1817000013 QPAPYZLTUCGWHJ-HIFRSBDPSA-N 412.280 -0.423 50 20 HBGD C[C@@H](CN)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819795251 LFTJYBJIYQSWSU-VHSXEESVSA-N 417.495 -0.038 50 20 HBGD CNC(=O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)CBr)CCO2 1830533894 UEHNEDBXBORYFF-MLGOLLRUSA-N 420.304 -0.390 50 20 HBGD O=C(NC1CCN(C2CCN(C(=O)CCn3cncn3)CC2)CC1)[C@H](O)CCl 1833313179 YPQRJSMEERKRJP-MRXNPFEDSA-N 412.922 -0.161 50 20 HBGD COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)n(C)n1 1833438920 JVQQVJWPOITODX-SUMWQHHRSA-N 416.862 -0.902 50 20 HBGD O=C(c1ccc2nn[nH]c2c1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839628318 ZGDFGRQXVIUFMU-MAUKXSAKSA-N 423.857 -0.372 50 20 HBGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncnn3C)C2)C1 1840031258 JYWWRKMTTMXEJS-IAQYHMDHSA-N 416.276 -0.332 50 20 HBGD C[C@@H](C(=O)N1CCCC12CN(C(=O)CCC(=O)NN(C)C)C2)n1ccccc1=O 1844367655 PJLCOEGHAQGCCF-HNNXBMFYSA-N 403.483 -0.014 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnc(Cl)nc1 1847177855 MTWCEJZDSXNZDE-GJZGRUSLSA-N 400.631 -0.061 50 20 HBGD Cn1cccc1C(=O)NNC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 726540719 LBJJUJBPHKHCEZ-UHFFFAOYSA-N 408.436 -0.074 50 20 HBGD Cn1nccc1S(=O)(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 727352635 ZKLGAOGDKIQMJY-UHFFFAOYSA-N 413.481 -0.172 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 729276913 OEERQKKHPYPNBC-ZJUUUORDSA-N 402.860 -0.222 50 20 HBGD C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)NNC(=O)C(=O)N1CCCC1 735585082 AHUGCYCWYHQHGS-OAHLLOKOSA-N 403.487 -0.455 50 20 HBGD COC(=O)Cn1cc(S(=O)(=O)NNC(=O)c2cc(Br)c[nH]2)cn1 743252035 XRQLXLORKFHUOO-UHFFFAOYSA-N 406.218 -0.230 50 20 HBGD NC(=O)N1CCC[C@@H](C(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)C1 744621484 YIEOLNPUYKZKRN-CYBMUJFWSA-N 411.484 -0.059 50 20 HBGD CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NNC(=O)[C@H]1Cc2ccccc2O1 764154816 VDUMHKMXVVTNJN-CYBMUJFWSA-N 401.379 -0.314 50 20 HBGD CC(C)Oc1cc(F)ccc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764227978 SVKSNSJXEWSETR-SECBINFHSA-N 404.420 -0.364 50 20 HBGD COc1cc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)nn1C 773391754 OCLDJYFLBHGNJN-UHFFFAOYSA-N 400.439 -0.352 50 20 HBGD CN1CCN(C(=O)NNC(=O)[C@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)CC1 773655958 AENWESHCMHNGDV-CABCVRRESA-N 409.487 -0.043 50 20 HBGD O=C(COC(=O)c1ccccc1-n1cnnn1)NNC(=O)[C@@H]1COc2ccccc2O1 777135040 YFIBPHWHMWZKOG-INIZCTEOSA-N 424.373 -0.194 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NOC[C@@H]2CCOC2)cc1 788327484 WZISTOMVCBBKTR-CYBMUJFWSA-N 400.457 -0.086 50 20 HBGD C[C@](O)(Cn1ccccc1=O)C(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1 802068538 KQUUOFRVQLZBPX-KRWDZBQOSA-N 408.436 -0.144 50 20 HBGD COc1ccc(C(=O)NNC(=O)CN2CCC[C@@H](n3cc(CO)nn3)C2)cc1OC 815142714 YLGQWNICXUQMAC-OAHLLOKOSA-N 418.454 -0.114 50 20 HBGD CNC(=O)c1cc(Oc2cccc(NC(=O)C(=O)NNC(=O)COC)c2)ccn1 815569022 DCIPWYRZMJITBE-UHFFFAOYSA-N 401.379 -0.034 50 20 HBGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)n1cnnn1)C2 1792873038 JAYWNRUAGFYIHM-RXGFPQBGSA-N 415.292 -0.145 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccnc1)C2)c1cccc(B(O)O)c1 1795739014 QAWZBTGNTNQUOF-RMFSNUHRSA-N 423.278 -0.403 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CC(O)C1)C2 1796439725 YXEREFGAHCXETQ-UHWUFHFASA-N 417.466 -0.519 50 20 HBGD C[Si](C)(C)OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNCP(=O)(O)O)C2 1797954856 LYWRJACFQJIUSD-JJLQDPRZSA-N 423.479 -0.848 50 20 HBGD CN[C@H](CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](O)CCl)CC2)C(=O)O 1815072929 MHGNKUGXSNVGCL-SZEHBUNVSA-N 404.876 -0.283 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)cco3)CCO2)C1 1834608694 WCDGFKZPBWFVJE-RDTXWAMCSA-N 414.842 -0.036 50 20 HBGD O=C(c1ncon1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1838321132 PBONUWNSNHHDKN-TVQRCGJNSA-N 407.196 -0.170 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1840030664 RUEHKTIXTZUAOW-ZIBATOQPSA-N 420.260 -0.665 50 20 HBGD O=C(CNC(=O)C(F)(F)F)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1840202675 DYVIFKDUPLFGSK-GWCFXTLKSA-N 419.759 -0.344 50 20 HBGD Cc1ccc(NCC(=O)NNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 104747490 NHAXRSZTGIKTFB-AWEZNQCLSA-N 421.479 -0.280 50 20 HBGD CCn1c(=O)[nH]c(=O)c2c(C(=O)NNC(=O)NCCCOC)cc(C3CC3)nc21 139584289 RYJRGONPCRJDLM-UHFFFAOYSA-N 404.427 -0.037 50 20 HBGD CS(=O)(=O)N1CCCN(C(=O)NNC(=O)CNC(=O)c2cccs2)CC1 728951159 DBCJYBQDGZNLSF-UHFFFAOYSA-N 403.486 -0.814 50 20 HBGD CC(=O)N1CCN(C(=O)CCNC(=O)NNC(=O)COc2ccccc2F)CC1 730821768 RTBSQKNLNCMZJO-UHFFFAOYSA-N 409.418 -0.384 50 20 HBGD CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 758026573 RNQAHQSBIXQATF-UWVGGRQHSA-N 412.534 -0.282 50 20 HBGD COc1ccc(OCC(=O)NNC(=O)NCCNS(=O)(=O)NC(C)C)cc1 759517311 WEWPAKGPIISQRG-UHFFFAOYSA-N 403.461 -0.763 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccnc(Oc2ccccc2)c1 764232918 UCENWJKZIPIGCP-NSHDSACASA-N 421.435 -0.103 50 20 HBGD Cn1cc(S(=O)(=O)NCC(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)cn1 765321656 DZMRBCAIZINBFI-UHFFFAOYSA-N 418.476 -0.849 50 20 HBGD COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NNC(=O)N2CCOCC2)C1=O 771249148 DKNYUMOVPSHQPL-GOSISDBHSA-N 405.411 -0.465 50 20 HBGD COC(=O)N(C)Cc1ccc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)cc1 783998778 HBOXKUFKYGJIHL-UHFFFAOYSA-N 405.411 -0.407 50 20 HBGD O=C1CN(Cc2cccc(NC(=O)C(=O)NNC(=O)c3ccccc3O)c2)CCN1 812979169 BLAJVHJFTAITPX-UHFFFAOYSA-N 411.418 -0.276 50 20 HBGD COC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1 815565911 DXHSYEMIWLRUIR-SECBINFHSA-N 407.358 -0.101 50 20 HBGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)Cn1nc2ccccn2c1=O 885150832 MEVWVKCXPMNMGE-UHFFFAOYSA-N 423.477 -0.144 50 20 HBGD O=C1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)c3ccccc3O)cc2)CCN1 914462445 MMJZFSWODYSTDW-UHFFFAOYSA-N 418.431 -0.413 50 20 HBGD COC(=O)CCOc1ccc(S(=O)(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 917731199 FIOPDFINVMXDQW-NSHDSACASA-N 420.465 -0.627 50 20 HBGD COc1ccc(C(=O)NNC(=O)CN2CCN(CC[S@@](C)=O)CC2)cc1OC 1319384794 KFGWYWKKRZYDEF-MUUNZHRXSA-N 412.512 -0.539 50 20 HBGD Cc1ncncc1C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1779668044 JPCIJSGKWPQSPI-LJQANCHMSA-N 404.471 -0.398 50 20 HBGD Cn1cnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)c1 1786196710 AWBVIIYIUOVLOH-ZVZYQTTQSA-N 412.255 -0.993 50 20 HBGD CC(=O)c1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)n[nH]1 1796190817 OQJCBCQDUWXQBX-MUJYYYPQSA-N 410.239 -0.142 50 20 HBGD C[Si](C)(C)OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)C=CC1=O)C2 1797956554 LOKRQGACVVMPHE-IVWMJMPLSA-N 409.515 -0.648 50 20 HBGD COc1ccccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1798817116 USWMAMSHNOHWPN-CWPLJXCYSA-N 424.262 -0.108 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]1(C)CC1(F)F)C2 1801014121 GYKMFOQLDTYXAJ-DJZPMSPPSA-N 402.442 -0.006 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CNC(N)=O)n[nH]1 1823541729 PSMWYFZMQRDUQD-GFCCVEGCSA-N 408.463 -0.557 50 20 HBGD CN(CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](O)CCl)CC2)C(=O)C(=O)O 1824667176 LWTYYXSTIVDERB-IONNQARKSA-N 418.859 -0.802 50 20 HBGD C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830731139 IDUGYXBXGYTEMK-QWQRMKEZSA-N 404.891 -0.384 50 20 HBGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CS(=O)(=O)CC)CCO2)C1 1831340157 BNHBZHHQFYVYKM-BBRMVZONSA-N 410.920 -0.105 50 20 HBGD O=C(CC1CCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835941519 NBMZZMFDANGHMN-OAQYLSRUSA-N 416.283 -0.373 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCC=CO1)CCO2 1837419180 UVBYUZIKEQQQRH-OXQOHEQNSA-N 424.498 -0.492 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)COCCO)C2)C1 1839154763 XHBFDUKFPOVQIF-HOTGVXAUSA-N 413.298 -0.312 50 20 HBGD Cn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1cccc(OC(F)F)c1)c(=O)n2C 728489140 ZCCBMOGQUSRUPV-UHFFFAOYSA-N 422.348 -0.504 50 20 HBGD COCCCNC(=O)NNC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 731616845 CZVNHZBPLYAPLF-MGPQQGTHSA-N 418.516 -0.537 50 20 HBGD COC(=O)c1cc(Cl)cc(S(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 741648137 WOTWCPULXMWSMW-MRVPVSSYSA-N 410.857 -0.129 50 20 HBGD CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)NNC(=O)COc2ccccc2C#N)C1=O 753020245 HHTLMUYIGYLBBP-ORAYPTAESA-N 414.422 -0.012 50 20 HBGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 760431441 DNFDVDNCHBXMQI-JYILRKAJSA-N 410.427 -0.789 50 20 HBGD CSCCNC(=S)NNC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@@H](C)O 779548910 YCYOHCXTQPLQMQ-YPMHNXCESA-N 420.582 -0.119 50 20 HBGD Cn1ncc2c(O)nc(NNC(=O)[C@@H]3CC=CC[C@@H]3C(=O)N3CCOCC3)nc21 784411118 RQYNRQTWKNUUDI-NEPJUHHUSA-N 401.427 -0.047 50 20 HBGD O=C(COc1ccccc1O)NNC(=O)C(=O)Nc1ccc2c(c1F)CCNC2=O 793024497 FJLHVZQFRCKNPK-UHFFFAOYSA-N 416.365 -0.018 50 20 HBGD NS(=O)(=O)C[C@@H]1CCCN1C(=O)NNC(=O)CNC(=O)OCc1ccccc1 799983480 GDVYPSRIGAVGJJ-ZDUSSCGKSA-N 413.456 -0.594 50 20 HBGD Cn1c(N)c(C=NNC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c(=O)n(C)c1=O 814973817 KGRUOXQGYVVCEK-NSHDSACASA-N 408.459 -0.237 50 20 HBGD CCn1nc(C(=O)NNC(=O)NC[C@H]2CN(C)CCN2C)c2ccccc2c1=O 1318714396 AACMYUFSOZLRSL-ZDUSSCGKSA-N 401.471 -0.394 50 20 HBGD CCOCCC(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779034216 PIPFKPTZWRCETD-LJQANCHMSA-N 405.455 -0.445 50 20 HBGD C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](F)Cl)CCO2 1779181047 ZKRQIRXKUGHDOY-BNLOLNQZSA-N 413.837 -0.041 50 20 HBGD CN1CCC[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)C1 1780997801 MKQKUUSFTPWJDY-UTKZUKDTSA-N 415.299 -0.848 50 20 HBGD CC[C@@H](NC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782210787 LZGVGPATDMYLNB-JXXFODFXSA-N 411.547 -0.129 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)ccc1O)CCO2 1783935543 VRUPBLCXCYSATM-HXUWFJFHSA-N 420.466 -0.086 50 20 HBGD O=C(/C=C/c1cnc[nH]1)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1784304840 AKTIBTOJGFTRML-DPZZJQGRSA-N 410.239 -0.754 50 20 HBGD O=C(CCC(=O)N1CCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1784995565 INZGYPXKPJQRIC-VGWMRTNUSA-N 415.918 -0.032 50 20 HBGD Cc1ocnc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786983855 AZTAFIUSQHOVPQ-XIRDDKMYSA-N 413.239 -0.430 50 20 HBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cocn3)C[C@@H]21 1788610569 HAGSMPLNEYOPKK-PJODQICGSA-N 414.422 -0.420 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc[n+]([O-])cc3)[C@H]2C1 1789100070 AUOFTJLFXOCNBW-ULQDDVLXSA-N 419.482 -0.714 50 20 HBGD CC(=O)Nc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)ccn1 1792978223 LDMYKGRWFVCQCT-FQLMCAECSA-N 410.858 -0.157 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccnc1)C2)c1ccc(B(O)O)cc1 1795734398 GINGOPBVTOVIQT-RMFSNUHRSA-N 423.278 -0.403 50 20 HBGD Cn1cc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)cn1 1796191308 XQMSXPNFYLQGKD-REPLKXPHSA-N 410.283 -0.016 50 20 HBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2ncccn2n1 1796958985 DDIRWIFYVNAYRS-YVECIDJPSA-N 408.846 -0.419 50 20 HBGD CNC(=S)NCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](Cl)COC 1800976653 AOZWXNRJJNSGQV-GFQSEFKGSA-N 406.936 -0.686 50 20 HBGD O=C([C@H](O)CCl)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1830733723 RLWNWMDPZLUKEK-NRUUGDAUSA-N 417.659 -0.267 50 20 HBGD CC(=O)NCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1831687188 KVLWNPSIEIPBCJ-KSSFIOAISA-N 419.906 -0.795 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1839146477 ZNMQMUHIDJGXNB-ZVZYQTTQSA-N 419.906 -0.889 50 20 HBGD CC(=O)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1839883986 LMXOQOJIAQDYTP-INIZCTEOSA-N 420.304 -0.246 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840030801 WXHHCLWXHSNCEY-COPLHBTASA-N 413.696 -0.174 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)N(C)C(C)=O)C2)C1 1840152936 YZOHXOMICIJBHN-YEWWUXTCSA-N 419.906 -0.437 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCNC(=O)C1)CCO2 1840233218 PSPQOLRJLQEQSL-SUNYJGFJSA-N 417.890 -0.777 50 20 HBGD Cn1cc(C(=O)NNC(=O)[C@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)cn1 735446169 AWDODXCEPLTZQA-CXOKCQFOSA-N 410.434 -0.016 50 20 HBGD C[C@H]1CN(CCC(=O)NNC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)C[C@@H](C)O1 743290433 GIMLBUIJHMEYEJ-WHGULVMYSA-N 422.482 -0.814 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 755976387 XSPOFYGCXHGSOJ-QMMMGPOBSA-N 404.470 -0.837 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 758029835 OLWXOYHRTTWKHJ-SNVBAGLBSA-N 418.497 -0.903 50 20 HBGD Cc1cc(O)cc(=O)n1CC(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 759905663 UKLCFJYAGVFBTA-OAHLLOKOSA-N 417.374 -0.607 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@@H]3CCOC3)CC2)cc1 765726585 DRURHXGGWLKUJJ-OAHLLOKOSA-N 410.496 -0.515 50 20 HBGD CON(C)C(=O)[C@H](CCSC)NC(=O)NNC(=O)CNC(=O)c1cccs1 765734119 WTJTUCJUKDCTEJ-JTQLQIEISA-N 417.513 -0.050 50 20 HBGD Cc1cccc(=O)n1C[C@](C)(O)C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 792058258 SQLLJTDVILLTJW-SFHVURJKSA-N 407.448 -0.228 50 20 HBGD Cn1nc(C(=O)NNC(=O)NCCNC(=O)c2cccnc2)c2ccccc2c1=O 916443308 BFGXAVOBAHMJGZ-UHFFFAOYSA-N 409.406 -0.298 50 20 HBGD CN(CC(=O)NNC(=O)c1cccc(Cl)c1)CC(=O)N[C@H]1CCS(=O)(=O)C1 917106929 MKIYHGBZMUOLIU-ZDUSSCGKSA-N 416.887 -0.664 50 20 HBGD Cc1cc(C)n(CC(=O)NNC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 920340502 QOGIUYNDTIHFCF-UHFFFAOYSA-N 424.439 -0.076 50 20 HBGD CCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 921042679 JYYLMEYGKCKATO-UHFFFAOYSA-N 411.484 -0.107 50 20 HBGD NC(=O)NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](F)Br)C1 1780779596 ZMPWJWUDSVZTEQ-OLUVUFQESA-N 409.256 -0.141 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(C(=O)O)ncn3)CCO2)C1 1783872536 AVTXZUZPLQPQLI-GTNSWQLSSA-N 412.830 -0.128 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncc[nH]3)[C@H]2C1 1785783037 UAAHGMDSCQJSMU-CQDKDKBSSA-N 413.438 -0.685 50 20 HBGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCC(=O)N1)C2 1792867709 JVAAAKOIORCHDW-YGEZULPYSA-N 402.289 -0.114 50 20 HBGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@H](N)C(N)=O)C2 1792868343 WKWWIKVKJZDBPP-VXUPGSCNSA-N 419.320 -0.800 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)N1CCOCC1)[C@H](F)Br 1798486915 KJHVLFBTMJGGDH-XJBAAKRRSA-N 408.268 -0.034 50 20 HBGD C[C@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CC(=O)NC1=O)C2 1799274038 PBVOUEWOBSNARD-SKILGCBUSA-N 421.281 -0.636 50 20 HBGD CN1C(=O)CC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2 1799370617 OQGQKJRVDPRJJX-OXIQGZBJSA-N 402.289 -0.018 50 20 HBGD O=C(NC[C@@H]1CCN(C(=O)C2CC(O)C2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807363501 FDGGQAQKHVBOJO-CLPROHDKSA-N 423.278 -0.148 50 20 HBGD CC(C)(C)OC(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1831986838 SHEBXUNCSWKGOT-ACJLOTCBSA-N 420.890 -0.226 50 20 HBGD CC(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1834713883 ZZKGWUKRCIFNMM-DBRLUCFCSA-N 419.438 -0.834 50 20 HBGD CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)no1 1838121747 FVPMBTNPZDLCFV-PBHICJAKSA-N 401.847 -0.093 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)NCC(C)C)C2)C1 1840152874 XHXPOJWLNNWIGN-KDOFPFPSSA-N 419.906 -0.531 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2cn3cccnc3n2)C1 1844040142 LECJYGLKLBOQQL-UHFFFAOYSA-N 405.223 -0.460 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2nc(O)n3c2CCCC3)C1 1844396703 NEJYTNXKLYTWSB-UHFFFAOYSA-N 424.266 -0.264 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2cc(Cl)ncn2)C1 1844572838 ATTQAOGSWGXISQ-UHFFFAOYSA-N 400.631 -0.059 50 20 HBGD O=C(NNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)[C@H]1CCS(=O)(=O)C1 28810605 UBGNGMXQUIGKPK-NSHDSACASA-N 401.466 -0.442 50 20 HBGD O=C(CCNS(=O)(=O)c1ccccc1F)NNC(=O)CNC(=O)c1ccco1 725740016 QHCXZVCTBMDTCM-UHFFFAOYSA-N 412.399 -0.336 50 20 HBGD O=C(NNC(=O)[C@H]1CCCN1C(=O)OCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 727786422 PNWCBFIAEFAGHG-RKDXNWHRSA-N 401.363 -0.268 50 20 HBGD COc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)c3cnn[nH]3)CC2)cc1 729455911 GPBPJEWNBBPEMA-UHFFFAOYSA-N 408.440 -0.325 50 20 HBGD CSCC[C@@H](C(=O)NNC(=O)C(=O)NC(C)C)N1C(=O)[C@H]2CCCC[C@H]2C1=O 746488731 GZIRAEKTMPPQAZ-XQQFMLRXSA-N 412.512 -0.045 50 20 HBGD NC(=O)C1=S=C(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C=C1 749403495 MEKCBWJHYXUEMB-UHFFFAOYSA-N 422.488 -0.635 50 20 HBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)N[C@@H]1CC(=O)N(C2CC2)C1 750655301 NQAFHGXCBBJCBR-LLVKDONJSA-N 408.484 -0.005 50 20 HBGD C[C@H]1CN(CCC(=O)NNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)C[C@@H](C)O1 751425594 KBUQJWIZMMLCRX-BETUJISGSA-N 411.484 -0.869 50 20 HBGD COc1cc(OC)cc(N2C[C@H](C(=O)NNC(=O)C(=O)N3CCCC3)CC2=O)c1 752520521 UFKIUOVPWQOHMF-GFCCVEGCSA-N 404.423 -0.174 50 20 HBGD CCn1cc([C@H]2C[S@@](=O)CCN2C(=O)NNC(=O)CNC(=O)c2ccco2)cn1 753120185 FJNFCCXYDHOFGT-MUWSIPGASA-N 422.467 -0.228 50 20 HBGD CC(=O)c1ccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 755317745 UGTOAFFPGXEXTM-UHFFFAOYSA-N 413.394 -0.511 50 20 HBGD CNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)c2ccccc2O1 764153934 NJFMCJXYRLZRCF-DLBZAZTESA-N 424.413 -0.322 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c(Br)c1 764228233 WEZXSDCXJUTUEL-MRVPVSSYSA-N 421.273 -0.219 50 20 HBGD COc1cccc(-c2nsc(NC(=O)C(=O)NNC(=O)[C@H]3COCCO3)n2)c1 764431354 BSJGUMQREZAQBK-LLVKDONJSA-N 407.408 -0.285 50 20 HBGD Cn1nc(C(=O)NNC(=O)NCC2(N3CCOCC3)CC2)c2ccccc2c1=O 765634536 IYGHVSBBCMHTMO-UHFFFAOYSA-N 400.439 -0.258 50 20 HBGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)CN1CCN(S(C)(=O)=O)CC1 772969594 ZYVBTFXRQIWNDF-LBPRGKRZSA-N 418.903 -0.168 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCCc3cnccn3)nc2)CC1 775456124 XOERAOGZCTZSMD-UHFFFAOYSA-N 420.499 -0.324 50 20 HBGD COC(=O)CNC(=O)NNS(=O)(=O)c1ccc(C(=O)OC)cc1Br 779847015 QHKWWWJWCJWIKH-UHFFFAOYSA-N 424.229 -0.099 50 20 HBGD O=S1(=O)CC[C@H](N(CCCN2CCOCC2)S(=O)(=O)CBr)C1 782401141 APUWGABCJYAYFO-LBPRGKRZSA-N 419.363 -0.120 50 20 HBGD C[C@@]1(NNC(=O)C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)CCS(=O)(=O)C1 783428070 SQXIYNWHXTZCGV-QGZVFWFLSA-N 419.467 -0.189 50 20 HBGD CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NNC(=O)CNC(=O)c1cccs1 787856905 DANDHCVDXHLLPI-UWVGGRQHSA-N 413.456 -0.735 50 20 HBGD CCCCn1ncc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1C(C)C 792266874 DQDVYVAYTPNXFL-NSHDSACASA-N 416.504 -0.170 50 20 HBGD COC(=O)c1cc(Br)c(OC)cc1NC(=O)C(=O)NNC(=O)CO 806980177 KUFWOTBKKBZJJU-UHFFFAOYSA-N 404.173 -0.678 50 20 HBGD CNC(=O)CN1CCC(NC(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])CC1 916518754 JTIPUDWBFMJJTF-UHFFFAOYSA-N 408.415 -0.486 50 20 HBGD CSC[C@@H](C)C(=O)N1CCC(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)CC1 1321356170 DCYGFDYUBTVXDL-MNOVXSKESA-N 408.546 -0.691 50 20 HBGD CC[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](N)CCC(N)=O)CCO2)C1 1783342386 KWTOWLQVHBRJGA-WQGACYEGSA-N 419.320 -0.417 50 20 HBGD Cc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)n1 1786979525 VIVPQMCZDKPGON-QRFRQXIXSA-N 423.278 -0.023 50 20 HBGD CNC(=O)CC(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807363282 CVDYFQDADRVGAL-JXFKEZNVSA-N 424.266 -0.783 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)COCCO)[C@@H]1c1cccnc1 1813074203 WJMBQPBGUIMZHW-OXQOHEQNSA-N 421.498 -0.531 50 20 HBGD C[C@@H](NC=O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1820875016 FCGMDBPEDWRAGQ-MLGOLLRUSA-N 413.243 -0.470 50 20 HBGD Cc1ncoc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1834370850 RJTXXLNXXAJUGT-IBGZPJMESA-N 423.470 -0.574 50 20 HBGD C/C=C(/C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835931941 IBWAHVFVTDDRTR-WIJZHZITSA-N 402.256 -0.597 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccn(C)n3)CCO2)C1 1836065213 SXRMCQOUGJDCPD-QAPCUYQASA-N 414.890 -0.327 50 20 HBGD O=C(c1[nH]nc2ccncc12)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1836447129 GUWIFRKWRNFEPC-RDTXWAMCSA-N 423.857 -0.372 50 20 HBGD O=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCBr)C3)C2)=NN1 1837360375 QKEXZRMOLHELDN-OAHLLOKOSA-N 417.260 -0.896 50 20 HBGD C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840167289 HVDTVMRFRWCEST-OAQYLSRUSA-N 414.267 -0.760 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCn3cncn3)CCO2)C1 1840359523 KOOBGQABOMEXHC-RHSMWYFYSA-N 415.878 -0.622 50 20 HBGD COC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)C1 1841341288 REPWRHNWGBLVIE-JKSUJKDBSA-N 414.267 -0.227 50 20 HBGD CC(C)(C)OC(=O)CC(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1841743304 JOXDIRXMPDCYEW-UHFFFAOYSA-N 402.256 -0.085 50 20 HBGD O=C(c1[nH]nc2ncccc12)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011173 ZCHBYDYQQFJISS-UHFFFAOYSA-N 405.223 -0.232 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CCNC(=O)C2)C1 1846422173 GMYSAAVNJYDCQO-JMKVTYIUSA-N 414.466 -0.150 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)COc1cccnc1 1848127523 PJYBFJFOSSZOEC-IRXDYDNUSA-N 410.434 -0.026 50 20 HBGD Cn1c(=O)n(C)c2cc(S(=O)(=O)NNC(=O)COc3ccccc3O)ccc21 730814568 VLOWDRNLHOUWKO-UHFFFAOYSA-N 406.420 -0.029 50 20 HBGD Cn1ccc(N2CCC[C@H](NC(=O)NNC(=O)CNC(=O)c3cccs3)C2=O)n1 743579299 PWLZGEQGLZXLKG-NSHDSACASA-N 419.467 -0.263 50 20 HBGD COC(=O)/C=C/c1ccc(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1 747613917 YEGDUNZCXLIZMT-OLKPEBQYSA-N 405.454 -0.880 50 20 HBGD O=C(Cc1cn2ccccc2n1)NNC(=O)NCCNS(=O)(=O)Cc1ccon1 750289222 OOMJDCAYNANKIU-UHFFFAOYSA-N 421.439 -0.685 50 20 HBGD CCCCN(C)c1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1 764229575 BEWNGJRDZDIDGH-GFCCVEGCSA-N 413.500 -0.054 50 20 HBGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 764424982 LROKQPAUEAEACB-ZDUSSCGKSA-N 410.814 -0.032 50 20 HBGD COC(=O)CSCCC(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766642221 KWMMXENTFIKMFG-UHFFFAOYSA-N 422.507 -0.112 50 20 HBGD O=C(NNC(=O)c1ccc2c(c1)OCCO2)C1=CN2CCS(=O)(=O)N=C2C=C1 770418844 IRDXYZHMMYRWOL-UHFFFAOYSA-N 404.404 -0.284 50 20 HBGD CN(C)CC(=O)NNC(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 775532018 QOXCKKSTOHSOSB-UHFFFAOYSA-N 403.436 -0.439 50 20 HBGD COC(=O)CNC(=O)NNS(=O)(=O)c1ccc(C(=O)O)c(Br)c1 779845571 QLWBECMZMXCZCK-UHFFFAOYSA-N 410.202 -0.187 50 20 HBGD CC(C)[C@H]1C[C@@H](CC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CCO1 781709303 IHVPHXMJAXTYGQ-QWHCGFSZSA-N 420.470 -0.578 50 20 HBGD CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNC(=O)c1ccc(O)cc1)CC2 782831306 DKRJVRVNFIBHKI-UHFFFAOYSA-N 418.431 -0.349 50 20 HBGD COCCn1ccc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)n1 784327543 VFIIJLXLCOTVLX-HNNXBMFYSA-N 404.379 -0.326 50 20 HBGD CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNc1nc3ccccn3n1)CC2 792395821 VILVVLHGZUIOCL-UHFFFAOYSA-N 415.435 -0.330 50 20 HBGD CC(=O)N1CCC[C@@H](C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)C1 804951931 YWWALTLWIUXTSK-CJNGLKHVSA-N 405.407 -0.225 50 20 HBGD Cn1nc(SCC(=O)NN=Cc2ccccc2-n2cncn2)c(=O)n(C)c1=O 814785352 RCGXMWYMMXVQDD-UHFFFAOYSA-N 400.424 -0.698 50 20 HBGD O=C1COC[C@@H](C[C@H]2CN(C(=O)C(=O)NNC(=O)[C@H]3CCCO3)c3ccccc32)N1 815780507 ZOOGABASRWIMBM-WOSRLPQWSA-N 416.434 -0.652 50 20 HBGD CN(C)S(=O)(=O)c1ccc(O)c(C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)c1 816882206 ZQSXMEMPZCOYHI-SNVBAGLBSA-N 408.440 -0.742 50 20 HBGD O=C(CCCN1C(=O)CNC1=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 920211445 NJRBZJCEVJOTKS-UHFFFAOYSA-N 416.482 -0.322 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCCO1)CCO2 1779030221 KQTUUDQYHULKQI-DNVCBOLYSA-N 403.439 -0.692 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CC[C@@]2(CN(C(=O)CN3CC(=O)NC3=O)CCO2)C1 1781223961 GGYNFUZGDVPYEE-JKSUJKDBSA-N 421.281 -0.396 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2 1782210137 HIKOXCPLPNSPNV-HBUWYVDXSA-N 418.922 -0.527 50 20 HBGD CC[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1783349238 KJZJXLAAEVJWRS-MEBBXXQBSA-N 401.261 -0.134 50 20 HBGD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)ccn1 1786983847 AJRPFIJFUAPNJV-IHPCNDPISA-N 423.278 -0.023 50 20 HBGD Cc1nnc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)o1 1787032920 LAVWBMRLDYLUIN-KKUMJFAQSA-N 422.486 -0.727 50 20 HBGD CC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)n4[nH]nnc4n3)[C@H]2C1 1787270774 SJUXYOHVTYCHMO-KQXIARHKSA-N 423.861 -0.577 50 20 HBGD Cc1c[nH]cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1787598989 AXRSGHHXBRMDPA-SNRMKQJTSA-N 411.267 -0.090 50 20 HBGD CCN(C)[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1790552645 YAMUGLIGWAQDJW-XIVBQZFQSA-N 417.315 -0.700 50 20 HBGD CC(C)(C)OC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792984366 ZCMZKGHDMUBYCL-OPDFLTKYSA-N 405.879 -0.300 50 20 HBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(Cl)Cl)C2 1797754009 JELOSJQBPMZDHC-BZBKMWRSSA-N 416.265 -0.308 50 20 HBGD C[C@@]1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)CC1(F)F 1797754045 JTNACGKTSFMDGL-WZTYKQCMSA-N 423.420 -0.066 50 20 HBGD C[Si](C)(C)OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)N1CCOCC1)C2 1797956981 UPJXEQPEXZERPA-FSDCSDTHSA-N 415.563 -0.922 50 20 HBGD CN(C)CC(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1806454744 LIQUUSIIJAAQCV-FXAWDEMLSA-N 410.283 -0.357 50 20 HBGD O=C(CN(CCO)CCO)NC[C@@H]1CCN(C(=O)[C@@H](F)Cl)[C@H]1c1cccnc1 1812713035 BXBYSBZPUDHXBE-BHYGNILZSA-N 416.881 -0.092 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)COCCO)[C@H]1c1cccnc1 1813074189 WJMBQPBGUIMZHW-JXFKEZNVSA-N 421.498 -0.531 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2CNC(=O)C2)n[nH]1 1821963025 CEUUFGJLJGMRLL-GXTWGEPZSA-N 419.486 -0.089 50 20 HBGD O=C1CC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C(Cl)Cl)C3)C2)CN1 1829960190 QBUDMGLNXOQVGP-BDJLRTHQSA-N 408.282 -0.227 50 20 HBGD Cc1n[nH]cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1838685729 RDJFESXMUDZBBQ-LJQANCHMSA-N 422.486 -0.839 50 20 HBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC2(CCCN2C(=O)CNC(=N)N)C1 1842882420 JKAFULLMPNSIBW-NSHDSACASA-N 416.910 -0.195 50 20 HBGD COc1ccc(C(=O)NCC(=O)NNC(=O)Cn2nc(C)cc2C)cc1[N+](=O)[O-] 27609402 OQYIIHWPNPLPJU-UHFFFAOYSA-N 404.383 -0.006 50 20 HBGD COc1ccc(CC(=O)NNC(=O)NC2CC2)cc1S(=O)(=O)N1CCOCC1 64428851 GXMWIKPYPQPYFE-UHFFFAOYSA-N 412.468 -0.249 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H]2CCCN2S(C)(=O)=O)c1 732959958 SQKJFSCLUYLGJX-ZDUSSCGKSA-N 418.497 -0.878 50 20 HBGD CCn1cnc2c1c(=O)n(CC(=O)NNC=C(C#N)C#N)c(=O)n2Cc1ccccc1 747821877 OANBDXZJJWGEHB-UHFFFAOYSA-N 418.417 -0.020 50 20 HBGD CN1C(=O)c2ccc(S(=O)(=O)NNC(=O)CNC(=O)c3ccco3)cc2C1=O 751282431 LJBQHQZKHBDAGE-UHFFFAOYSA-N 406.376 -0.755 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 756775564 IWAZPSGONRAJBQ-VIFPVBQESA-N 419.485 -0.782 50 20 HBGD CN(N=Cc1c(N)n(C)c(=O)n(C)c1=O)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 758137533 ABJRQHLDGWBBPW-UHFFFAOYSA-N 423.474 -0.395 50 20 HBGD COc1ccc(C(=O)NNC(=O)CN2CCN(c3nc(N)ns3)CC2)cc1OC 759354055 LWCZPKLAANQCCY-UHFFFAOYSA-N 421.483 -0.279 50 20 HBGD COC(=O)c1cc(Cl)cc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 764226951 LHZVEILYYHCYMY-SSDOTTSWSA-N 420.831 -0.850 50 20 HBGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccc(NC(=O)c2ccccc2)nc1 764424257 HACLIFXZGFUYJM-AWEZNQCLSA-N 413.390 -0.165 50 20 HBGD CCc1nc2ccccc2n1CC(=O)NNC(=O)CNS(=O)(=O)CCCOC 770132113 VJERTFFQFGYLPJ-UHFFFAOYSA-N 411.484 -0.298 50 20 HBGD O=C(NNC(=O)[C@@H]1CC(=O)N(c2c(F)cccc2F)C1)N[C@@H]1CCS(=O)(=O)C1 770706442 RADWLYIQCMWAFC-NXEZZACHSA-N 416.406 -0.165 50 20 HBGD COCCCNC(=O)NNC(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@@H](C)O 779503138 INMQATMUFOOPMN-TZMCWYRMSA-N 402.473 -0.610 50 20 HBGD COC(=O)c1cc(C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)on1 781417411 HNFLKCKTTOVFQP-UHFFFAOYSA-N 410.408 -0.149 50 20 HBGD CN(C)N(C(=O)CCNS(=O)(=O)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 792850798 QRFALHSWUIMYQQ-ZDUSSCGKSA-N 407.489 -0.014 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CNS(=O)(=O)c2cn(C)c(C)n2)cc1C 798310206 VCMLXVILMBKPGF-UHFFFAOYSA-N 422.467 -0.590 50 20 HBGD COC(=O)CNC(=O)NNS(=O)(=O)c1cc(Br)cc(C(N)=O)c1 799540383 RKFOXXNJEYJNMX-UHFFFAOYSA-N 409.218 -0.787 50 20 HBGD NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)NNC(=O)c1ccccc1F 914602475 QWMQWJPZMSUGMZ-UHFFFAOYSA-N 408.367 -0.158 50 20 HBGD Cn1c(=O)c2cc(C(=O)NNC(=O)COc3ccccc3F)n(C)c2n(C)c1=O 919689073 VGLHVHVOMAQBDX-UHFFFAOYSA-N 403.370 -0.445 50 20 HBGD CCS(=O)(=O)CCN(C)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 1319747395 SXEHCRICNKCIHA-UHFFFAOYSA-N 405.502 -0.299 50 20 HBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cccnc1I 1320257865 FYFFISHQOTXQJL-ZETCQYMHSA-N 409.205 -0.118 50 20 HBGD Cc1nc2n(n1)C[C@H](NC(=O)NNC(=O)c1csc(N3CCOCC3)n1)CC2 1321452749 YLJOOVRUTYGBAU-LLVKDONJSA-N 406.472 -0.161 50 20 HBGD Cn1cc(S(=O)(=O)N2CCC(NC(=O)NNC(=O)Cc3ccncc3)CC2)cn1 1323485210 GFYLYKMSBZIIOW-UHFFFAOYSA-N 421.483 -0.459 50 20 HBGD O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1779098477 ICKATVVGIXEQSO-LWDMTGPJSA-N 403.863 -0.055 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cncc(O)c3)C2)C1 1783622428 GKOXPCDPPYAKIG-IBGZPJMESA-N 405.455 -0.396 50 20 HBGD CSCC[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1783974008 QULCFIYFYCKLEU-KBXCAEBGSA-N 416.544 -0.697 50 20 HBGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ncccn4n3)C[C@@H]21 1791254316 OALRXOQRVMLMKO-FQUUOJAGSA-N 422.873 -0.029 50 20 HBGD CC(C)(C)OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1793756720 YROJTWGIHWPNGN-FVCICTRLSA-N 419.482 -0.297 50 20 HBGD CC(=O)N(C)[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1796904976 XMZMLIUGTZUYRL-MHEUCROKSA-N 416.482 -0.196 50 20 HBGD CCOC(=O)N[C@@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCC(=O)NN(C)C)C2 1798270373 BKDZDKFCIWSHHP-ZWUHOBOKSA-N 413.475 -0.938 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)c1ccco1)C2 1801009238 UJOYAIQQYOWEDA-JGTCGTHISA-N 408.455 -0.724 50 20 HBGD C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1802112699 ULJGYDKOKDCVCQ-USACIQFYSA-N 423.897 -0.006 50 20 HBGD NC(=O)[C@H](N)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](O)CCl)CC1 1824181805 MNSSEZMWLAMZGS-KFWWJZLASA-N 402.923 -0.201 50 20 HBGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CS(C)(=O)=O)C2)C1 1831647357 UBTNJALOEPHTQS-CZUORRHYSA-N 410.920 -0.105 50 20 HBGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncnn3C)CCO2)C1 1833845554 TYCWPJSYZHZNCO-XHDPSFHLSA-N 416.276 -0.332 50 20 HBGD O=C(Cn1cc(Cl)cn1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1835969515 MYYWHORVOJLFAQ-XJKSGUPXSA-N 421.281 -0.407 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3C[C@H](O)CN3)CC2)CC1 1836361105 AJUUBALXKVNHLB-BBWFWOEESA-N 416.950 -0.465 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1837710335 WNPJLAYOZQXMHN-GUYCJALGSA-N 415.519 -0.597 50 20 HBGD COC[C@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)Cn3cnnn3)CC2)CC1 1837968285 HTAKPWPPAPXRDA-HNNXBMFYSA-N 414.894 -0.075 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2[nH]nc3ccncc23)C1 1843280375 MRUYXMNHKVXQRI-UHFFFAOYSA-N 405.223 -0.232 50 20 HBGD COc1ccc(CN2C[C@H](C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)CC2=O)cc1 726499723 ILAGXFAPDZCKCI-UONOGXRCSA-N 409.464 -0.374 50 20 HBGD CCCOC(=O)c1ccc(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 727796500 AAVCCLKGXKHXGO-GFCCVEGCSA-N 419.481 -0.067 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] 728509899 BLDHCSUUBLMRDY-LURJTMIESA-N 400.822 -0.505 50 20 HBGD CCOC(=O)[C@H]1CCCN(S(=O)(=O)NNC(=O)COc2ccccc2O)C1 730812935 ZXOCOXHLGKDPAL-LBPRGKRZSA-N 401.441 -0.088 50 20 HBGD NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)[C@@H]1COCCO1 744652231 FJNUUEZXWLXMTL-KBPBESRZSA-N 408.411 -0.890 50 20 HBGD COc1cc(OC)cc(C(=O)NNC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)c1 746387558 LVRNBFJQVAVZEA-OAHLLOKOSA-N 420.466 -0.355 50 20 HBGD CC(C)OCCS(=O)(=O)N1CCN(CC(=O)NNC(=O)c2cccs2)CC1 747845600 IAXVNYVPDZKBHT-UHFFFAOYSA-N 418.541 -0.119 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cccc(N2C(=O)CN(C)C2=O)c1 755990819 HCZPVVXOXXSXLE-VIFPVBQESA-N 412.428 -0.825 50 20 HBGD CCN(CC)c1ccnc(NNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)n1 762915391 UTCZKEPRKDNWGB-LBPRGKRZSA-N 423.499 -0.069 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@H]3CCCOC3)CC2)cc1 766635819 GBSLEZKMZJDUGY-INIZCTEOSA-N 424.523 -0.125 50 20 HBGD CS(=O)(=O)[C@H]1CCCCN(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1 767760264 PBJCHAXWAHESAN-AWEZNQCLSA-N 407.456 -0.084 50 20 HBGD COC(=O)Cn1cc(C(C)=NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)nn1 772838713 LOXQLCSIAPOYSL-UHFFFAOYSA-N 414.831 -0.094 50 20 HBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 786360305 NXZHSAPICXUUIP-BQJFBPGXSA-N 409.439 -0.336 50 20 HBGD CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 789170589 HCUUQAXSKVGODJ-GHMZBOCLSA-N 402.473 -0.239 50 20 HBGD CCNC(=O)N(C)NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 790869952 BHWZZOZVXRAVFN-UHFFFAOYSA-N 420.513 -0.129 50 20 HBGD COC(=O)c1csc(C(C)=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)c1 794887900 WLFODIKBSXZTOH-UHFFFAOYSA-N 411.465 -0.040 50 20 HBGD Cn1nnc2c(C(=O)OCC(=O)NNC(=O)[C@@H]3COc4ccccc4O3)ccnc21 801497597 CIVUDLZSINTDOG-ZDUSSCGKSA-N 412.362 -0.493 50 20 HBGD CNC(=O)CCCCC(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 801634814 WEHFXXIBHXYRIH-UHFFFAOYSA-N 403.483 -0.102 50 20 HBGD Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 915686427 XPVUFLJOMBAHFC-GXTWGEPZSA-N 410.431 -0.513 50 20 HBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=S)NCCS(C)(=O)=O 1318533415 FBRYCKQITCIURM-UHFFFAOYSA-N 407.543 -0.558 50 20 HBGD COC(=O)C(=O)NNC(=O)NC1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 1323452924 CJGRRVXXNIFEPB-UHFFFAOYSA-N 408.411 -0.188 50 20 HBGD O=C1NC(=O)[C@H](CC(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](F)Br)C3)C2)N1 1781327222 YSYVSUJKQPWPBQ-BXGCZWRVSA-N 421.223 -0.895 50 20 HBGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC[C@@H](N)C(N)=O)C2 1782170559 QSHTZQKJWZJEPQ-HNSFDTNUSA-N 418.922 -0.653 50 20 HBGD C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1784505353 OLGCCMSVSIQINE-QZWWFDLISA-N 410.515 -0.070 50 20 HBGD COC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1786425105 MWXCPFUXYTUKSN-KKUMJFAQSA-N 412.487 -0.708 50 20 HBGD O=C(CN1CCOCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1786725123 PXDJJGLFVXPCCY-PWNZVWSESA-N 422.295 -0.011 50 20 HBGD NC(=O)[C@H](N)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]2C1 1789922729 OZPHBVPGDHPFLD-XPORZQOISA-N 423.283 -0.751 50 20 HBGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)NC3)C[C@@H]21 1791250455 FUABMVCYLIKYLL-FQKPHLNHSA-N 401.891 -0.254 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCn1cncn1)C2 1798443692 WTQQGLSSDSHYAM-BTTYYORXSA-N 412.454 -0.381 50 20 HBGD CCOC(=O)N[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)Br 1800758991 BYTYISQSOPMRJT-BZNQNGANSA-N 422.276 -0.576 50 20 HBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCN(C)CC1)C2 1800975679 QSTDXXQBNVMTPF-DFGXFYAUSA-N 416.950 -0.533 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCCCC1=O)c1cccc(B(O)O)c1 1802160297 LXMMDMRMPAMEDN-BCDXTJNWSA-N 413.283 -0.369 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)n3ccnn3)C2)C1 1840155398 AQNYAPGNQVAGNE-ZQIUZPCESA-N 415.878 -0.451 50 20 HBGD C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C(Cl)Cl)CCO2)C1 1840188355 FYCFTWKOLJZGQT-BDJLRTHQSA-N 408.282 -0.063 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1=COCCC1)CCO2 1840217722 PKEZTRRTRQRBTP-FQEVSTJZSA-N 424.498 -0.490 50 20 HBGD O=C(c1nc2ccc(F)cn2n1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014959 URBMLOXRWDZCQS-UHFFFAOYSA-N 423.213 -0.321 50 20 HBGD CN1CCC[C@@H](C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)C1 1844264833 MGRYTMWUAPWYBN-CQSZACIVSA-N 400.483 -0.156 50 20 HBGD NS(=O)(=O)c1cnn(CC(=O)NNc2ccc(S(=O)(=O)C(F)F)cc2)c1 728971503 BCIMZZLVDSGFLU-UHFFFAOYSA-N 409.396 -0.330 50 20 HBGD Cc1[nH]c2ccnn2c(=O)c1CC(=O)NNC(=O)c1csc(N2CCOCC2)n1 729258025 XEJQTPVAKINBCS-UHFFFAOYSA-N 417.451 -0.372 50 20 HBGD CC(C)NC(=O)C(=O)NNC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 744447072 VFSKCKDQRIRREO-UHFFFAOYSA-N 421.479 -0.481 50 20 HBGD CNS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)o1 744718130 BHZHKMPDDWPHCZ-UHFFFAOYSA-N 406.376 -0.323 50 20 HBGD CCOC(=O)N1CCN(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCCO3)CC1 748671275 IHGRCZOUFBSUHU-UHFFFAOYSA-N 414.440 -0.289 50 20 HBGD CC[C@@H](NC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1)C(=O)N1CCOCC1 753059574 UVMAGAGMMOYSRZ-CQSZACIVSA-N 402.415 -0.756 50 20 HBGD COc1ccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 765313071 OGIHSNIOMVABGR-UHFFFAOYSA-N 401.383 -0.705 50 20 HBGD CCC(=O)N1CC[C@H](C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)C1 773219912 AHSBHAUPMUHKHP-SWLSCSKDSA-N 405.407 -0.225 50 20 HBGD CCOCC(=O)NNC(=O)C(=O)Nc1cccc(CN2CCN(C(C)=O)CC2)c1 782117465 OTZGCLVPHFLAGA-UHFFFAOYSA-N 405.455 -0.527 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@@H]3CO[C@@H](C)C3)CC2)cc1 784157926 UXQHPHUTFDUFSI-HOTGVXAUSA-N 424.523 -0.126 50 20 HBGD O=C(COC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)NNC(=O)c1cccs1 785657002 WYFJFDAZMIRKGJ-CYBMUJFWSA-N 424.479 -0.767 50 20 HBGD O=C(COC(=O)[C@H]1COCCN1CC(F)F)NNC(=O)c1ccc([N+](=O)[O-])cc1 786946688 LUCVKRLCXLSKKQ-GFCCVEGCSA-N 416.337 -0.135 50 20 HBGD CC(C)CN1C[C@@H]2CN(C(=O)NNC(=O)CNC(=O)c3ccco3)CCN2C1=O 787859992 VPFCEFOIYPNGKI-ZDUSSCGKSA-N 406.443 -0.172 50 20 HBGD NS(=O)(=O)CCN1CCN(C(=O)NNC(=O)c2cccc(OC(F)F)c2)CC1 799916507 LRDPWVDWPJYSMC-UHFFFAOYSA-N 421.426 -0.452 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@@H](NC(N)=O)C(C)(C)C)cc1 800316037 OSJSBCQDAUDJIV-CQSZACIVSA-N 413.500 -0.154 50 20 HBGD CCOC(C)(OCC)C(=O)NNC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F 806567332 GSGKNJXWNBSHMG-SECBINFHSA-N 422.426 -0.072 50 20 HBGD CCOCC(=O)NNC(=O)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 806980278 SAWBAQYGXBQGPD-OLZOCXBDSA-N 404.423 -0.794 50 20 HBGD CCOC(=O)C(=O)c1cc(S(=O)(=O)NNC(=O)C(=O)NC(CC)CC)cn1C 808094274 IGULCGLILWZBEV-UHFFFAOYSA-N 416.456 -0.615 50 20 HBGD O=C(CCn1cnccc1=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 815734598 PIZNURYQYFRHMU-UHFFFAOYSA-N 407.452 -0.202 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCCCO1)CCO2 1779029857 ZNJQARBZYFKPLA-UZLBHIALSA-N 417.466 -0.302 50 20 HBGD O=C(c1cc(=O)nc2cccnn12)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1780058267 UCZLUVNZUBQCIT-FZKQIMNGSA-N 421.841 -0.867 50 20 HBGD O=C(Cc1ccncc1)N1CC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1780987722 DJGWMPXMNGIJEF-OAQYLSRUSA-N 409.251 -0.552 50 20 HBGD Cc1nc(CC(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)no1 1783933031 BIJYPECQMYXEKX-GOSISDBHSA-N 408.459 -0.877 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)CSc3nc[nH]n3)C2)C1 1784395169 ZURVUXRALABHQW-NHYWBVRUSA-N 403.892 -0.020 50 20 HBGD CNCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788610545 FIDWJSIQACKDIQ-JQFCIGGWSA-N 418.498 -0.722 50 20 HBGD O=C1NC(=O)[C@@H](CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H](F)Br)C3)N1 1794210709 WBPGTLWBNHWIKD-WNPHYYBUSA-N 405.224 -0.087 50 20 HBGD O=C(CCBr)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCOCC1)C2 1795112414 GGCAYWRDGIHQNL-YWVIFJGQSA-N 404.305 -0.307 50 20 HBGD Cc1[nH]nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c1F 1795732477 KZTWRMJRTNCOMF-YWVIFJGQSA-N 416.218 -0.946 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)N1CCOCC1 1797803340 INMIAKVJHLFQTN-VBWUIIQKSA-N 424.325 -0.537 50 20 HBGD COC[C@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@](C)(Cl)CCl 1799277176 SUSQEWIDXPPCMD-IQNXINDISA-N 424.325 -0.037 50 20 HBGD C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1799307053 YSFXYTLPKJLAIJ-CCWDJLKJSA-N 424.498 -0.542 50 20 HBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSc1nc[nH]n1)C2 1800981003 KOGNMGCSVXAQRK-NOHGZBONSA-N 403.892 -0.260 50 20 HBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1CNC(=O)C1)CC2 1826089833 PUNVGOJVQMDGJK-QWRGUYRKSA-N 422.511 -0.436 50 20 HBGD CC(C)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1 1830362168 MYELOEMBJMCTJI-QGZVFWFLSA-N 400.863 -0.416 50 20 HBGD O=C(c1cn2ncccc2n1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830728763 YBZXUQLJRWYWCD-KBXCAEBGSA-N 423.857 -0.601 50 20 HBGD CCC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830738728 STZZRYLRCBPQFD-HDMKZQKVSA-N 419.906 -0.653 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCCN3C)CCO2)C1 1832066200 BCOYNEXHXXWBKR-RVKKMQEKSA-N 403.907 -0.209 50 20 HBGD Cn1c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Cl)C3)C2)cccc1=O 1833872163 UDYROHAZKYEIAF-RHSMWYFYSA-N 401.822 -0.010 50 20 HBGD C#CCCC(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834800523 KDKHLNNNLQLVNI-UHFFFAOYSA-N 411.311 -0.035 50 20 HBGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CN(C)C(=O)C(=O)O)CCO2)C1 1839703931 NZHSESMFYAERLQ-SJCJKPOMSA-N 419.862 -0.997 50 20 HBGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSC(=N)N)C2)C1 1840032063 MSJRTATVSIBBFD-QMTHXVAHSA-N 423.333 -0.147 50 20 HBGD C[C@@H](CBr)C(=O)N1CCCC12CN(C(=O)CN(CCO)CCO)C2 1841289036 GOVZXFGJEQLURP-ZDUSSCGKSA-N 406.321 -0.493 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)CC(N)=O 1847859360 IXVRVDGONJVZKT-DNBRFSCVSA-N 402.455 -0.166 50 20 HBGD COCCN1C(=O)/C(=C\NNC(=O)c2nnc(-c3ccccc3)o2)C(=O)NC1=S 139244554 ULUUWQDJEDQTSO-LUAWRHEFSA-N 416.419 -0.255 50 20 HBGD CCc1ccc(C(=O)NNC(=O)Cc2cc[nH]n2)cc1S(=O)(=O)N1CCOCC1 730092840 SAGLWGKTDBEBRE-UHFFFAOYSA-N 421.479 -0.003 50 20 HBGD N#Cc1cccc(C(=O)NNC(=O)CN2CCN(C(=O)C(=O)N3CCCC3)CC2)c1 744386607 IUERMHMSYVVCRD-UHFFFAOYSA-N 412.450 -0.914 50 20 HBGD Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NNC(=O)[C@H]2COCCO2)C1 744648497 CINWQFZCDRGJCI-QWHCGFSZSA-N 416.456 -0.745 50 20 HBGD COC(=O)c1ccsc1N1CC[C@H](NC(=O)NNC(=O)C(=O)NC2CC2)C1=O 746780247 NDVQCKPXDZFZHC-JTQLQIEISA-N 409.424 -0.751 50 20 HBGD O=C(CN1CC(=O)NC1=O)NNc1ccc(S(=O)(=O)Nc2nccs2)cc1 747944988 ZYWWWHIYDSYLNR-UHFFFAOYSA-N 410.437 -0.061 50 20 HBGD CNS(=O)(=O)c1ccc(C)c(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 756526658 MYOAXGCWOMQSDK-JTQLQIEISA-N 404.470 -0.509 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2scnc2C2CC2)n(C)c1=O 757799014 GUJQOEAJGGXHGN-UHFFFAOYSA-N 418.439 -0.380 50 20 HBGD NC(=O)c1ccc(OCC(=O)N2CCN(S(=O)(=O)CBr)CC2)cc1 758528698 XJTRPYORESSVKD-UHFFFAOYSA-N 420.285 -0.009 50 20 HBGD COCCOc1cc(C)ccc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 764232705 SWYVDDDNLSUTAY-NSHDSACASA-N 416.456 -0.956 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)C3=COCCO3)CC2)cc1 765729445 SKSLSJBJIOSEBP-UHFFFAOYSA-N 424.479 -0.663 50 20 HBGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c2ncccc12 770770802 CGZHCHTUTUXOJY-SECBINFHSA-N 409.424 -0.733 50 20 HBGD NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)NNC(=O)NCC(F)(F)F)CC2=O)c1 798313158 BFEHRNVTYJALKY-QMMMGPOBSA-N 423.373 -0.420 50 20 HBGD O=C(CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)Nc1ccc2c(c1)OCO2 802098041 GTXSDRNJODPCPH-FKGLVLAHSA-N 402.363 -0.270 50 20 HBGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)c2ccc3c(c2)NC(=O)CNC3=O)c1 814523761 KHIZVIHOEAIJED-UHFFFAOYSA-N 421.369 -0.142 50 20 HBGD C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)NCCS(N)(=O)=O 916625384 HOBKHWNYZLERMN-MRVPVSSYSA-N 409.262 -0.165 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C[C@@H]2C=CS(=O)(=O)C2)c1 1116200401 PVOCZXWOIDYEQO-NSHDSACASA-N 401.466 -0.354 50 20 HBGD COC[C@@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1779315508 KBNJNVAZEVBFJH-CRAIPNDOSA-N 415.563 -0.181 50 20 HBGD O=C1NC(=O)[C@H](CC(=O)N2CCO[C@]3(CCN(C(=O)[C@H](F)Br)C3)C2)N1 1781327228 YSYVSUJKQPWPBQ-QEVYDEPDSA-N 421.223 -0.895 50 20 HBGD C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)n1cccn1 1784526725 SVIWNMKXWAGCSD-KXBFYZLASA-N 406.487 -0.353 50 20 HBGD CC(C)O[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984239 TXLGYYXQOITSEV-CBVHJVASSA-N 418.299 -0.227 50 20 HBGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@@H](N)C(N)=O 1795638244 YLALZNCKAMQNEV-XJGUIPMBSA-N 419.320 -0.658 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)C(C)C)C2 1796439454 GDEIXQCCBJTYNU-XHPRPZMGSA-N 419.482 -0.273 50 20 HBGD CN[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@](C)(Cl)CCl)C(=O)O 1799275125 OJNJAMRQMXQOAM-JZHJWMIFSA-N 410.298 -0.125 50 20 HBGD CCNC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Br 1799350399 YRUOCKHPOPZEHH-ZIQFBCGOSA-N 423.283 -0.026 50 20 HBGD CCC[C@@H](NC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1804207225 BFJYWNWFZOWEHT-FCGDIQPGSA-N 415.299 -0.077 50 20 HBGD O=C(c1cnn2ncccc12)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830728050 NOWGFEVTOAJOPE-CRAIPNDOSA-N 423.857 -0.601 50 20 HBGD CCc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)no1 1830732046 PTTOIMZHBIFLJM-RHSMWYFYSA-N 401.847 -0.093 50 20 HBGD O=C(CCc1cnc[nH]1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1832805077 LYQDHQJROAEFHZ-WMLDXEAASA-N 400.863 -0.602 50 20 HBGD CC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1835455328 VSDOSRRJPRNFQP-SFHVURJKSA-N 412.198 -0.908 50 20 HBGD O=C(Cc1cscn1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1836038021 WOOCHJOPCDUQLK-BBRMVZONSA-N 403.888 -0.258 50 20 HBGD O=C(c1ccc(Cl)nn1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837832885 LFFGRJNOGKJACW-LRDDRELGSA-N 419.265 -0.200 50 20 HBGD CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)n(C)n1 1838038724 GJZRSJUBGPZUSU-YJBOKZPZSA-N 414.890 -0.348 50 20 HBGD CC(=O)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1839886247 PRIZDWQCFOMZDJ-BLLLJJGKSA-N 420.304 -0.248 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1 1840032621 DUAOHIOORMLYJF-JFILPPLUSA-N 405.289 -0.003 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(=O)oc3)C2)C1 1840151088 VYZQWTPPPVWIDP-KBXCAEBGSA-N 414.842 -0.036 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 1840155559 AMVIMCGGMLRYLR-KCTHJMFYSA-N 402.875 -0.411 50 20 HBGD O=C([C@@H](O)CCl)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCc2nc(O)nc(O)c2C1 1847557249 YOYZMDXEAGBIAD-HYNSBDGHSA-N 410.858 -0.206 50 20 HBGD NC(=O)N1CCC[C@H]1C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 725899054 SSOMVPSOFSJKAR-AWEZNQCLSA-N 409.468 -0.225 50 20 HBGD C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)C2=O 728374698 PMJZYEGQGRCXHV-GDLVEWKHSA-N 400.457 -0.931 50 20 HBGD C[C@@H]1CN(CCC(=O)NNC(=O)CN(C)S(=O)(=O)c2cccnc2)C[C@@H](C)O1 732261697 FHZSXVDZGGSYIC-ZIAGYGMSSA-N 413.500 -0.651 50 20 HBGD O=C(CCNS(=O)(=O)c1ccccc1Cl)NNC(=O)[C@@H]1CCS(=O)(=O)C1 732307995 PRGNCGXMKPTAJE-SNVBAGLBSA-N 423.900 -0.410 50 20 HBGD O=C(NCCN1CCSCC1)NNC(=O)c1csc(N2CCOCC2)n1 732892001 NTTYMQLUGTVJGW-UHFFFAOYSA-N 400.530 -0.028 50 20 HBGD O=C(CNC(=O)c1cccs1)NNC(=O)N[C@H]1CCN(CCN2CCOCC2)C1 734685749 GRZSSTQREICXII-AWEZNQCLSA-N 424.527 -0.785 50 20 HBGD COc1ccccc1C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 763044070 KBCRNTCQSFRHPX-LLVKDONJSA-N 420.447 -0.078 50 20 HBGD COc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)ccc1N1CCCC1=O 764434923 SOCGODGAVQGHOG-AWEZNQCLSA-N 406.395 -0.677 50 20 HBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1n[nH]cc1[N+](=O)[O-] 764751644 DGCKWENDMYVRJW-UHFFFAOYSA-N 401.383 -0.463 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ncoc2-c2ccccc2)n(C)c1=O 766639872 RKMRAUAANPXRAG-UHFFFAOYSA-N 423.389 -0.450 50 20 HBGD COc1cccc(S(C)(=O)=O)c1NNC(=O)CNS(=O)(=O)CCOC(C)C 768629058 NWMKVPRESCDULE-UHFFFAOYSA-N 423.513 -0.114 50 20 HBGD CCOC(=O)c1ccc(F)c(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 795302764 NNDUKBVAEHCYIW-SNVBAGLBSA-N 423.444 -0.318 50 20 HBGD CNC(=O)CCCCC(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 1306648200 HPAQUNXWEKIEMA-UHFFFAOYSA-N 412.516 -0.233 50 20 HBGD Cc1cncc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)c1 1786984621 RVMLTSHYBFDBQB-VDGAXYAQSA-N 423.278 -0.023 50 20 HBGD C[Si](C)(C)OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@@H](N)C(N)=O)C[C@@H]21 1788763864 ASGGMPCABIVKFE-XQLPTFJDSA-N 414.579 -0.590 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)C2)c1ccc(B(O)O)cc1 1795737163 ZELSDJFTWDZUJC-DQQHVZQSSA-N 414.267 -0.863 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccccn1 1795880130 HVTVVDPYONLQDZ-HBCWATKFSA-N 424.461 -0.474 50 20 HBGD Cc1cn(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](F)Cl)c(=O)nc1O 1796370809 MICMQFSSPUOWON-LYIQGSDWSA-N 402.810 -0.619 50 20 HBGD C[C@@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)O1 1797196829 CLPUAZHEGPSNAQ-XIUQWWLSSA-N 417.466 -0.544 50 20 HBGD N=C(N)SCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798439176 LRPSYICYGKDDQA-ZSBIGDGJSA-N 419.511 -0.046 50 20 HBGD Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)o1 1801473125 PZQWNRCUGOIXMU-CWPLJXCYSA-N 412.251 -0.286 50 20 HBGD CC(=O)NCC(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815348450 OXXNBQJRSZFLIW-ZDUSSCGKSA-N 416.268 -0.815 50 20 HBGD CC(=O)NCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCC(=O)NN(C)C)CC2 1825245914 BXZRFALUNFWIRI-LBPRGKRZSA-N 424.527 -0.046 50 20 HBGD COc1ccnc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1 1837950444 HQEQWCZAOUYQIX-MAUKXSAKSA-N 413.858 -0.240 50 20 HBGD C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1)N1CCN(C)CC1 1839105666 ZZSGGXDNPZHIOJ-MPGHIAIKSA-N 420.913 -0.387 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CNC(=O)N(C)C 1847341500 JACOCWVUMUISJM-LCBPUBMQSA-N 417.470 -0.407 50 20 HBGD Cc1ccc(NCC(=O)NNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1 728203186 OGWRVJYMTPLSDH-DZGCQCFKSA-N 408.480 -0.410 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1sccc1Br 728509812 OPLSRWYTNOYNET-RXMQYKEDSA-N 406.305 -0.242 50 20 HBGD NS(=O)(=O)c1ccc(CC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 729629570 NEEHERFXKOSGBP-UHFFFAOYSA-N 401.408 -0.687 50 20 HBGD COc1cc(C(=O)N(C)C)ccc1NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 756868705 NVMIHVJKMYERJG-SECBINFHSA-N 401.445 -0.513 50 20 HBGD Cc1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)ncn1 758043750 QNGWJKNTWYNLQU-UHFFFAOYSA-N 405.436 -0.119 50 20 HBGD O=C1COc2cc(NC(=O)C(=O)NNC(=O)[C@@H]3COc4ccccc4O3)ccc2N1 763571858 PGCNKZZYCWWIBL-HNNXBMFYSA-N 412.358 -0.057 50 20 HBGD CN(C)c1ncc(NC(=O)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)cn1 764204695 RWPDLDBUDDZBHK-UHFFFAOYSA-N 409.447 -0.067 50 20 HBGD CCN1CCN(CC(=O)NNC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)C(=O)C1=O 768279484 POLOSIYLTXCMGG-UHFFFAOYSA-N 402.386 -0.333 50 20 HBGD CCOC(=O)c1ccc(OC)c(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 795314958 QUYPPINSUOOZGN-SECBINFHSA-N 423.469 -0.881 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 799920937 MGKWIDDWZQROQJ-SSDOTTSWSA-N 414.387 -0.176 50 20 HBGD Cc1c(C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)nnn1-c1ccn(C)n1 814405278 CPPWXDODEOOZGS-UHFFFAOYSA-N 403.424 -0.212 50 20 HBGD Cn1ncc(C(=O)NNC(=O)CNC(=O)c2ccco2)c1I 815228222 RRHMINHSRRWGPW-UHFFFAOYSA-N 417.163 -0.191 50 20 HBGD CCOCCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779034213 PIPFKPTZWRCETD-IBGZPJMESA-N 405.455 -0.445 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)CCN3CCN(C)CC3)CCO2)C1 1783875937 KLARPIOPFDRHGN-APWZRJJASA-N 416.950 -0.292 50 20 HBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](F)Cl)CCO2)C1 1784369650 GIMXHIRWDXPVJQ-CPUCHLNUSA-N 415.853 -0.179 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3CC3)[C@H]2C1 1784385457 OADQYFARTMXMIV-WBAXXEDZSA-N 411.462 -0.308 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)[C@@H]1C[C@@]1(F)Cl 1791366461 BZMFQQMHOGRXFO-RWBKLUSOSA-N 424.665 -0.116 50 20 HBGD CC[C@H](NC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1792616938 VVEQYMITAPWMID-LOUJCGABSA-N 416.482 -0.148 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccncc1F 1796725941 TWFSKCZMFUGQGT-IVWMJMPLSA-N 407.446 -0.203 50 20 HBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Cl)C2 1797786296 HWARBHDEIFNEGP-NDKCEZKHSA-N 408.810 -0.395 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(CCO)CCO)[C@@H](F)Br 1801734426 SLIMHIFVPMTJMD-GFQSEFKGSA-N 410.284 -0.398 50 20 HBGD O=C(NC[C@H]1CCN(C(=O)C2CC(O)C2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807361367 WVGXUTCTRAKBCA-OQUMVOOASA-N 423.278 -0.148 50 20 HBGD C[C@@H](O)C(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819801151 ZMVBOTCSFXMEBH-BDAKNGLRSA-N 404.452 -0.252 50 20 HBGD NC(=O)CC[C@H](N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](O)CCl)CC1 1824181756 LMUKVRMUYCPEBZ-KKUMJFAQSA-N 402.923 -0.201 50 20 HBGD C[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830737201 DRRORGIYPRGOPF-WDMOLILDSA-N 413.696 -0.174 50 20 HBGD C[C@H](Cn1ccnc1)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830737294 GSKCCTPDZQWGJB-RKVPGOIHSA-N 414.890 -0.425 50 20 HBGD COC(=O)NCC(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833312763 CHXIRAGIUIEWHP-CQSZACIVSA-N 404.895 -0.486 50 20 HBGD CCc1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)co1 1838131515 HLTSTELHWPCFRI-GUYCJALGSA-N 401.847 -0.093 50 20 HBGD Cc1cnoc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1838401771 RUZLWRCPMXKFNU-IBGZPJMESA-N 423.470 -0.574 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(CO)on3)CCO2)C1 1838805605 PCUHHOGIKOLCQK-DYVFJYSZSA-N 417.846 -0.509 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCO2 1839078447 UCNUDHCUXATVAI-MPGHIAIKSA-N 415.563 -0.983 50 20 HBGD COC(OC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199603 YGIYKSIXKWHNAM-HZMBPMFUSA-N 413.240 -0.248 50 20 HBGD CC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCC(=O)NN(C)C)CCO2 1840183424 DOLQCEWLMXHHSR-IBGZPJMESA-N 412.487 -0.815 50 20 HBGD CCS(=O)(=O)N1CCC(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)CC1 17193249 OTQDAPNVPUHQNP-UHFFFAOYSA-N 421.479 -0.244 50 20 HBGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c(Cl)c1 728509311 BYKWCBUPSGPOSO-ZETCQYMHSA-N 413.861 -0.626 50 20 HBGD O=C(NNC(=S)NCCCN1CCOCC1)C1CCN(c2ncccn2)CC1 728796200 DHOWARPKPRJBCN-UHFFFAOYSA-N 407.544 -0.089 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O 729275367 OCMZANVZDWYTCH-ZJUUUORDSA-N 418.497 -0.904 50 20 HBGD Cn1nc(C(=O)NNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c2ccccc2c1=O 729617772 GXURVBLVWKJXHB-CHWSQXEVSA-N 400.439 -0.259 50 20 HBGD O=C(Cc1cc[nH]n1)NNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 730102652 JWDRGWHMQCQAPF-CQSZACIVSA-N 407.452 -0.129 50 20 HBGD Cc1nc(CN2CCN(CC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)CC2)n[nH]1 735872597 MNCYEZOFASWJDQ-UHFFFAOYSA-N 402.415 -0.400 50 20 HBGD COC(=O)c1cc(C)c(C)c(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 747613218 DXOXYIWHKVHNDK-SNVBAGLBSA-N 407.470 -0.663 50 20 HBGD NC(=O)c1ccc(/C=C\C(=O)N2CCC[C@H]2C(=O)NNC(=O)Cc2cc[nH]n2)cc1 755277211 POEYVKZWYPTYGU-SBSDFTTDSA-N 410.434 -0.097 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCN(c2ccc(Cl)cc2)C1=O 758041161 WSXHCYLTXWRQII-BXKDBHETSA-N 402.860 -0.222 50 20 HBGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cccc(C(N)=O)n1 763682340 MIEBEIVDGKZUQM-UHFFFAOYSA-N 401.379 -0.256 50 20 HBGD CCOc1cc(Cl)ccc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 764229949 GCIBDLMULMHXCG-QMMMGPOBSA-N 406.848 -0.238 50 20 HBGD Cc1coc(-c2cc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)ccc2C)n1 764232178 SCQCIRDOBXICMR-LLVKDONJSA-N 423.451 -0.018 50 20 HBGD CN1CCN(CC(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)CC1 766670250 VHUGJUOETIQCNK-UHFFFAOYSA-N 422.961 -0.148 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@H]3CCO[C@H]3C)CC2)cc1 770788891 ZJEBNFQTSFTZMI-RDJZCZTQSA-N 424.523 -0.126 50 20 HBGD COCC(=O)N(C)CC(=O)NN(C)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 776205220 KYXNWRJFVVQGOT-UHFFFAOYSA-N 401.464 -0.273 50 20 HBGD CSCCNC(=S)NNC(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@@H](C)O 779548772 YCYOHCXTQPLQMQ-DGCLKSJQSA-N 420.582 -0.119 50 20 HBGD COc1ccc(S(=O)(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1C(N)=O 914746288 NRUULKRXJIETMQ-OAHLLOKOSA-N 407.404 -0.056 50 20 HBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)C1CCS(=O)(=O)CC1 1253104408 SDTXXLBBCYITJA-UHFFFAOYSA-N 422.507 -0.583 50 20 HBGD O=C(NNS(=O)(=O)c1ccc(N2CCOC2=O)cc1)[C@H]1CCS(=O)(=O)C1 1322022610 MJGLWCLPQOCRPX-JTQLQIEISA-N 403.438 -0.613 50 20 HBGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)Br)CCO2)C1 1778790818 YTSMUYIRZAPJOX-RWSFTLGLSA-N 422.276 -0.336 50 20 HBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1C[C@H](O)CN1)C2)[C@@H](F)Br 1780773859 OIOSKGPWXURVNX-LVYCXYHQSA-N 422.295 -0.086 50 20 HBGD C[C@@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cnnn1)C2 1781998428 UHLRYZUZZVTPHG-LALPHHSUSA-N 415.292 -0.030 50 20 HBGD COCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1783926027 LYTLVRPJXZNNHS-SZMVWBNQSA-N 404.272 -0.614 50 20 HBGD Cc1nc(O)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)nc1C 1785572441 SJTNERBUXIIYMB-XUXIUFHCSA-N 412.874 -0.008 50 20 HBGD NC(=O)c1nccnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(Cl)Cl)C[C@@H]21 1789093908 CBLMSTNOTAONAF-GUBZILKMSA-N 416.265 -0.028 50 20 HBGD CCNC(=S)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCBr 1795116484 LFWDFTKRTHTRLN-GNXNZQSNSA-N 421.361 -0.155 50 20 HBGD CC[S@](=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796191425 KEFGMYHBUDSPBL-FSFWTGJDSA-N 406.313 -0.223 50 20 HBGD Cc1cc(C(=O)NCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](F)Cl)no1 1796366631 WMRBWZMLMFGOQD-DJBIQUGXSA-N 402.810 -0.163 50 20 HBGD COC[C@@H](Cl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](N)CCC(N)=O)CC2 1825999510 SPXUOUSFXBKYFS-AEJSXWLSSA-N 417.919 -0.098 50 20 HBGD C[C@@H](NC=O)C(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826088397 FUHBQBXJTBTXHQ-MNOVXSKESA-N 410.500 -0.437 50 20 HBGD CC(C)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1830363526 AFAOUTHZYHANKE-SUNYJGFJSA-N 403.907 -0.569 50 20 HBGD COCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1830485086 FDOUCOIACZUJPI-LJQANCHMSA-N 414.503 -0.758 50 20 HBGD O=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1)c1ccco1 1832656560 ZXERWGZDXRMCPC-PXAZEXFGSA-N 400.815 -0.482 50 20 HBGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)Cn3cnnn3)CC2)CC1 1834875888 LVHMYXFIYMYTPT-HNNXBMFYSA-N 413.910 -0.502 50 20 HBGD O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1840043797 UWDLWDFSBBLDBU-JSGCOSHPSA-N 407.192 -0.779 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCS(C)(=O)=O)CCO2)C1 1840550255 LOUKVXZUOXLCCD-CJNGLKHVSA-N 410.920 -0.105 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)CN1CCSCC1)C2 1844263167 BDOOSWNVMHNHDQ-UHFFFAOYSA-N 418.523 -0.449 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)Cc2ccc3ncnn3c2)C1 1845029350 QTKWNIHIFQJTSB-UHFFFAOYSA-N 413.482 -0.152 50 20 HBGD O=C(NNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)[C@@H]1CCS(=O)(=O)C1 28810603 UBGNGMXQUIGKPK-LLVKDONJSA-N 401.466 -0.442 50 20 HBGD CCOc1ccc(C(=O)NNC(=O)[C@H]2CCCN2C(=O)CNC(C)=O)cc1OC 728513123 RWYZHCZJQHQGGZ-CQSZACIVSA-N 406.439 -0.018 50 20 HBGD COc1ccccc1OCC(=O)NNC(=O)NCCC(=O)N1CCN(C(C)=O)CC1 730821069 MGZUAQSPTYGCFV-UHFFFAOYSA-N 421.454 -0.515 50 20 HBGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 734242053 QCIDMCJDQXKAME-IMIFBBOLSA-N 421.454 -0.351 50 20 HBGD Cc1cc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)nc2c1c(=O)n(C)c(=O)n2C 737763456 NITOEKWXUYISAH-UHFFFAOYSA-N 412.362 -0.076 50 20 HBGD CCC(CC)NC(=O)C(=O)NNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 740851527 JMKPRHUGJSFUNF-UHFFFAOYSA-N 423.495 -0.043 50 20 HBGD CC(C)NS(=O)(=O)CCNC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 746971438 BPAINPJNGVRNCP-UHFFFAOYSA-N 410.456 -0.795 50 20 HBGD Cn1cc(C(=O)NNC(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)cn1 756549553 OLAUDAFEBVNCNA-UHFFFAOYSA-N 422.471 -0.637 50 20 HBGD COCCCN(CC(=O)NNC(=O)c1cccc(C#N)c1)[C@@H]1CCS(=O)(=O)C1 756586993 WTHUMHXUARLCTO-MRXNPFEDSA-N 408.480 -0.155 50 20 HBGD CC[C@@]1(C)NC(=O)N(CC(=O)OCC(=O)NNC(=O)Cc2nc(C)cs2)C1=O 760822627 XJPQEAANVPTZPM-MRXNPFEDSA-N 411.440 -0.595 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc3occc3s2)n(C)c1=O 765732778 STDZTROFHRMWTC-UHFFFAOYSA-N 402.392 -0.297 50 20 HBGD COC(=O)c1cc(F)c(C)c(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 769865181 LVTLSGSSXAWWOC-SNVBAGLBSA-N 423.444 -0.400 50 20 HBGD COC(=O)CNC(=O)NN=C(C)c1ccc(S(=O)(=O)NCCC(=O)O)cc1 779823177 LNFZFLBMGOYRJG-UHFFFAOYSA-N 400.413 -0.364 50 20 HBGD COC(=O)Cn1ncc(NC(=O)C(=O)NNC(=O)CCOc2ccccc2)c1C 797002700 QVOQDYCPQNWBHT-UHFFFAOYSA-N 403.395 -0.080 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O 808831720 GAKTZVGIKJNRLX-VIFPVBQESA-N 423.451 -0.217 50 20 HBGD CN1CC(=O)N(CCCC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)C1=O 1326385660 YMUCPKVUKGSUJW-UHFFFAOYSA-N 403.443 -0.485 50 20 HBGD O=C1CN(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H](F)Cl)C2)C(=O)N1 1778023246 ZXGYVBGMQAIORV-CKUKBARFSA-N 404.826 -0.414 50 20 HBGD O=C1NCCCn2nc(C(=O)N3CC[C@@]4(C3)CN(C(=O)[C@H](F)Cl)CCO4)cc21 1778379714 QOUBJAYRHYSLHU-SUMWQHHRSA-N 413.837 -0.006 50 20 HBGD N#Cc1cccc(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1 1780599908 IZOLVWKIWWSZNV-JOCHJYFZSA-N 419.246 -0.005 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCCSC3)C2)C1 1785472788 HKWHYYOZAZIUJL-OXJNMPFZSA-N 418.324 -0.047 50 20 HBGD CN(C)C(=O)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]2C1 1789921195 YLSDEEZSZOPGMU-MRBYEJRBSA-N 423.283 -0.072 50 20 HBGD CC[C@H](NC(N)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796189283 SSNBUJYBVNDBIJ-FZKCQIBNSA-N 402.260 -0.935 50 20 HBGD COC(OC)C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815350212 KQIFNJOOMXTGHP-LBPRGKRZSA-N 419.268 -0.332 50 20 HBGD NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817475231 LTVVQFIEDOBAQX-HNNXBMFYSA-N 413.243 -0.339 50 20 HBGD CC(=O)O[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1)C(C)C 1830731188 IKNSZYJBXBKURE-VKJFTORMSA-N 420.890 -0.370 50 20 HBGD O=C(CNC(=O)c1ccc(Br)o1)NNC(=O)[C@H]1CCS(=O)(=O)C1 9931139 UIADXOBVRNVBAJ-ZETCQYMHSA-N 408.230 -0.646 50 20 HBGD CCCCN1C(=O)c2ccc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc2C1=O 729277174 UDUVBTJHYONCJO-JTQLQIEISA-N 410.452 -0.219 50 20 HBGD CCC(=O)NNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 731848800 NCZHGSAZBPPWRO-LBPRGKRZSA-N 413.456 -0.153 50 20 HBGD CCCC[C@@H](ON=C(C)C)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 758359563 CIFKIQFJNSGTDD-GFCCVEGCSA-N 421.458 -0.448 50 20 HBGD C[C@H](CC(=O)NNC(=O)N1CCOCC1)NS(=O)(=O)c1cccnc1Cl 760475438 VCMRHFJUSAGJLX-SNVBAGLBSA-N 405.864 -0.135 50 20 HBGD Cc1ccc2cc(C(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)[nH]c2c1 766644995 QYSKNKFWWKGHQN-UHFFFAOYSA-N 409.406 -0.315 50 20 HBGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)n1 770108503 AHUKDEPYGKKWGE-ZDUSSCGKSA-N 420.513 -0.351 50 20 HBGD COCCCNC(=O)NNC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](C)O 779503136 INMQATMUFOOPMN-JSGCOSHPSA-N 402.473 -0.610 50 20 HBGD COCCOc1cccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)c1 784003503 XPFABSOATZMLJR-UHFFFAOYSA-N 404.379 -0.179 50 20 HBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O 800055444 KLMKQYRMEYBZCU-WDEREUQCSA-N 407.493 -0.441 50 20 HBGD O=C(NNC(=O)[C@H]1CCCO1)C(=O)Nc1ccc(F)c(-n2nnnc2C2CC2)c1 815779960 DAPLKEYWNNUUDL-CYBMUJFWSA-N 403.374 -0.056 50 20 HBGD O=C1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)c3ccncc3)cc2)CCN1 914457006 HFHGZSRDTTXBIP-UHFFFAOYSA-N 403.420 -0.723 50 20 HBGD O=C(COc1cccc(NC(=O)C2CC2)c1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919886775 USZDRVLAGXNEBW-ZDUSSCGKSA-N 410.452 -0.069 50 20 HBGD Cc1cccc(N2N=C(C(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)CCC2=O)c1 1115886747 FCSKCKQVYAXSFR-LBPRGKRZSA-N 407.452 -0.005 50 20 HBGD O=C(C[C@H]1CCCS(=O)(=O)C1)NNC(=O)c1csc(N2CCOCC2)n1 1117702815 AXTAUKYZLKNPEH-LLVKDONJSA-N 402.498 -0.044 50 20 HBGD CN(C)N(C(=O)Cc1ccc(S(=O)(=O)CCO)cc1)[C@H]1CCS(=O)(=O)C1 1324797480 IBTBZMPBGNDLFZ-AWEZNQCLSA-N 404.510 -0.513 50 20 HBGD CC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCN(C(C)=O)CC3)CCO2)C1 1781219998 WTKHJMHRITVZQF-QFBILLFUSA-N 414.934 -0.002 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)COc3ccc(O)nn3)CCO2)C1 1783882622 PZHFAJXMAXVOEK-SJCJKPOMSA-N 414.846 -0.355 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1n[nH]cc1[N+](=O)[O-] 1796191914 OYEAPBNLUVHIHE-BTTYYORXSA-N 413.199 -0.437 50 20 HBGD C[Si](C)(C)OCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)n2[nH]nnc2n1 1796572808 XXMBFHHOTHTKII-ZSBIGDGJSA-N 419.518 -0.084 50 20 HBGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(C)C(=O)CC1)C2 1800974163 NQNDYOVZZHEPGJ-NWJSVONSSA-N 400.863 -0.562 50 20 HBGD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)cc(O)n1 1801011179 LLFFQASBRNJLFR-CCWDJLKJSA-N 419.482 -0.328 50 20 HBGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1nc[nH]c1[N+](=O)[O-])C2 1802332776 HHOKEJJVCCRJNR-ZSBIGDGJSA-N 407.431 -0.057 50 20 HBGD NC(=O)CC[C@H](N)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1 1807041236 ARTHDACOMSLQTC-RZLSGREXSA-N 411.890 -0.720 50 20 HBGD CC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](Cl)COC)C2)C1 1830334735 RQRSCMXDZMZKBK-HDMKZQKVSA-N 419.906 -0.389 50 20 HBGD Cc1n[nH]c(C)c1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830734033 ZMUJUANUPJRXCS-CRAIPNDOSA-N 414.890 -0.375 50 20 HBGD NC(=O)[C@@H](N)CCC(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836716903 WYYLZGQFZUCFEY-GJZGRUSLSA-N 418.922 -0.823 50 20 HBGD C/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1839814546 UZVCNWJOOGRDHY-PHXNAMCJSA-N 403.439 -0.669 50 20 HBGD O=C([C@@H](O)CCl)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC[C@H](O)CC1)CCO2 1840269124 ONBILFQQUYAKRP-XSWJXKHESA-N 404.891 -0.406 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2cc(C(=O)O)ncn2)C1 1842218115 VWJISSUPCVLASD-UHFFFAOYSA-N 404.427 -0.635 50 20 HBGD CC(=O)Nc1cccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)n1 1843010681 RDKDFPCGSXTEDY-UHFFFAOYSA-N 422.250 -0.149 50 20 HBGD O=C(c1cnc2snnc2c1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011801 VEFKZERTCGFEOB-UHFFFAOYSA-N 423.263 -0.103 50 20 HBGD COc1ccccc1C(=O)N[C@H](CCSC)C(=O)NNC(=O)C(=O)NC1CC1 9889192 PATDAWXVKYHMAV-CYBMUJFWSA-N 408.480 -0.027 50 20 HBGD CCCS(=O)(=O)CC(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 728333878 BUEFVMBPHYUCGA-CYBMUJFWSA-N 400.409 -0.658 50 20 HBGD O=C(COC(=O)Cn1[nH]cc2c(=O)ncnc1-2)NNC(=O)c1cccc(Cl)c1 730659206 RYEHISMIJQISLH-UHFFFAOYSA-N 404.770 -0.271 50 20 HBGD CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)C(=O)NC(C)C)cc1 731059418 XBRGRYAGHBTNTF-UHFFFAOYSA-N 420.513 -0.449 50 20 HBGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)CNc1ccccc1 743293211 LVFFBRTZRUIBQB-LBPRGKRZSA-N 408.484 -0.037 50 20 HBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)[C@@H]2CCc3c[nH]nc3C2)CC1 743418463 GAYBGSCRDVSYCZ-CYBMUJFWSA-N 419.511 -0.011 50 20 HBGD NC(=O)c1ccc(/C=C/C(=O)N2CCC[C@@H]2C(=O)NNC(=O)[C@@H]2COCCO2)cc1 744648904 RAUCJKBDNITEHU-RTWZZBQXSA-N 416.434 -0.648 50 20 HBGD COC(=O)c1cc(C)c(C)c(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1 747608729 KQHDRZUUDHHPTR-LBPRGKRZSA-N 419.481 -0.230 50 20 HBGD Cc1cc(F)c(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1C(=O)O 753774828 OIUBNZMRSNMYBU-MRVPVSSYSA-N 409.417 -0.488 50 20 HBGD COc1ccc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1-n1nnnc1C 756319602 KEPKKGWTVAWFKL-SNVBAGLBSA-N 409.428 -0.433 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)n(C)c1=O 764515423 PHQIBBGAOKNKEA-GARJFASQSA-N 405.484 -0.882 50 20 HBGD COC(=O)c1cnc(C(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)cn1 770548451 FYTLJMXYMQUGSN-UHFFFAOYSA-N 406.424 -0.060 50 20 HBGD CS(=O)(=O)C1(C(=O)N2CCN(S(=O)(=O)CBr)CC2)CCC1 793776075 XHNBRELTGNRDNJ-UHFFFAOYSA-N 403.320 -0.220 50 20 HBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O 800055442 KLMKQYRMEYBZCU-MNOVXSKESA-N 407.493 -0.441 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(C(N)=O)cc1OCC(F)F 810301959 KALSETMCAFVLRK-SSDOTTSWSA-N 423.398 -0.480 50 20 HBGD COc1ccccc1NCC(=O)NNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 914832353 WGWQRTNQDPJDLL-CHWSQXEVSA-N 424.479 -0.710 50 20 HBGD CN(C)CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779371230 VAKDAUNZYIFTGS-OXQOHEQNSA-N 418.498 -0.626 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3nc4ncccn4n3)CCO2)C1 1783874544 IPFPZQMNSWCQOC-PXAZEXFGSA-N 408.846 -0.178 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCCCN3C)[C@H]2C1 1784121895 QABYLNBSORRFHK-XSLAGTTESA-N 423.558 -0.177 50 20 HBGD O=C(/C=C/c1cnccn1)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1784619797 WGAVSFZNJWKDGH-LYSGITKLSA-N 422.250 -0.687 50 20 HBGD C[C@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@H](O)CN3)[C@H]2C1 1789759610 JRVMJBSSWJOFBL-XZBVAUNFSA-N 418.332 -0.280 50 20 HBGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@](C)(O)CC(=O)O)C[C@@H]21 1791257346 BEYOVPQVWAQALT-PCBYGDGMSA-N 420.890 -0.164 50 20 HBGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)NC1 1792582330 AKMNZFBVFLQVAR-XJGUIPMBSA-N 402.289 -0.114 50 20 HBGD CNC(=S)NCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](Cl)COC)C2 1797759755 HQIYBCQGVYYHJE-OPDFLTKYSA-N 406.936 -0.686 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cn2cccnc2n1)c1ccc(B(O)O)cc1 1798042461 FSDKGXNWKYVSQZ-BJWYYQGGSA-N 419.250 -0.025 50 20 HBGD CC(=O)C[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1800936182 BBVUIYHCEHGYEX-GMLZMKKNSA-N 402.256 -0.815 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CNC(=O)C1 1801669921 GKLUEZXBMQEOKB-OVRUWJTLSA-N 414.466 -0.105 50 20 HBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC(=O)O)CC2 1826089820 POWCGUPNKWNZRM-SNVBAGLBSA-N 407.452 -0.484 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3nccn3)C2)C1 1837715125 XUOLFOJYMJOBJM-KRWDZBQOSA-N 411.535 -0.414 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840816533 ZENQBBAXYHLOEV-HXUWFJFHSA-N 421.498 -0.490 50 20 HBGD C[C@H]1CN(CCC(=O)NNC(=O)CCn2nnc3ccccc3c2=O)C[C@@H](C)O1 732261034 AFAMNAOQXZUMLM-OKILXGFUSA-N 402.455 -0.172 50 20 HBGD O=C(NCCN1CCN(C(=O)C2CCCCC2)CC1)NNC(=O)C(=O)N1CCCC1 733652451 ZGTBZFRHPNJSFS-UHFFFAOYSA-N 422.530 -0.336 50 20 HBGD C[C@@H](C(=O)N(C)CC(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)n1cccn1 734239860 XRWNKGSJHIEZKW-LBPRGKRZSA-N 411.463 -0.242 50 20 HBGD CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNC(=O)c3ccc[nH]3)c2)CC1 747663035 VNDWGBUMVTYEKC-UHFFFAOYSA-N 419.463 -0.058 50 20 HBGD COCCO[C@H](C)C(=O)NNC(=O)NCCNS(=O)(=O)c1ccc(C)cc1 748615316 WKNSBJBVXFJTKX-CYBMUJFWSA-N 402.473 -0.345 50 20 HBGD Cc1cc(C)cc(OCC(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)c1 755035621 ACMRCBVAWOALGK-CYBMUJFWSA-N 409.468 -0.070 50 20 HBGD CSCC[C@H](NC(=O)c1ccccc1)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758042752 AHZLCMDCXSECBB-YPMHNXCESA-N 416.525 -0.377 50 20 HBGD CCOc1ccc(OC)cc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764234580 YMLJITYFUDIKTC-SECBINFHSA-N 402.429 -0.883 50 20 HBGD COCCOc1ccc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 764812894 SITNPDIPTVIGFL-UHFFFAOYSA-N 414.422 -0.391 50 20 HBGD COC(=O)[C@H](C)n1cccc1C=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O 774590256 UNLOXIFFKMVDNZ-JTQLQIEISA-N 408.440 -0.743 50 20 HBGD CS(=O)(=O)C1(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)CCC1 793680577 FMLCWNLWLZLEAZ-UHFFFAOYSA-N 422.507 -0.441 50 20 HBGD CCc1nn(C)cc1NC(=O)C(=O)NNC(=O)CNC(=O)OCc1ccccc1 797369163 PQRYPRLUUZQRIV-UHFFFAOYSA-N 402.411 -0.005 50 20 HBGD C=CCN1C(=O)C(=O)N(CC(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)C1=O 802067366 CSHCYTKWAQUEDF-UHFFFAOYSA-N 423.407 -0.780 50 20 HBGD CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1csc(C(=O)O)c1 814877593 RNLIXFRFGLOACB-UHFFFAOYSA-N 404.408 -0.266 50 20 HBGD Cc1cccc(OCC(=O)NNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c1 914829807 WDRKDWBYYBCPNN-KGLIPLIRSA-N 409.464 -0.443 50 20 HBGD C[Si](C)(C)OCC(=O)N1CC[C@]2(CN(C(=O)CC[C@H](N)C(N)=O)CCO2)C1 1779296590 XHEDCEITDSQTEQ-SUMWQHHRSA-N 400.552 -0.739 50 20 HBGD Cc1c[nH]cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1787599618 RBIVMKMUSOUNOC-SNRMKQJTSA-N 411.267 -0.090 50 20 HBGD CCOCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788611266 QSYKBJFGNDMRDB-JQFCIGGWSA-N 419.482 -0.295 50 20 HBGD CC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)N3CCOCC3)[C@H]2C1 1788655558 GZWYFGGNHRLKOS-PQKJENKHSA-N 403.907 -0.366 50 20 HBGD Cc1nnsc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795739198 ZMBSCSZTQOORHG-AGGWBTHJSA-N 416.268 -0.957 50 20 HBGD C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801011693 VTMDVXODGSWHIL-BASYENTBSA-N 410.515 -0.478 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)C(=O)N(C)C)sc2C1 1814633727 QZLVRRFEEUSRGC-JTQLQIEISA-N 410.500 -0.484 50 20 HBGD CN1CCC(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)CC1 1830720084 SHXGCOVXUKOKKS-VQIMIIECSA-N 417.934 -0.226 50 20 HBGD Cn1c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cccc1=O 1830724971 KNRXQAQDYVYNCF-RDTXWAMCSA-N 413.858 -0.945 50 20 HBGD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1)n1cccn1 1830736911 BWRVMGGBQZBYJV-CPUCHLNUSA-N 400.863 -0.500 50 20 HBGD O=C(CC[C@@H]1CCOC1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830738121 LXZBORQWXQYCDJ-RKVPGOIHSA-N 404.891 -0.141 50 20 HBGD CC(=O)NCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1831394322 FCXHMTRXZKPDMR-LJQANCHMSA-N 415.299 -0.264 50 20 HBGD Cc1nn(C)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1831867529 KPRIKIRPXPLFTR-PBHICJAKSA-N 400.863 -0.602 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1839154399 MVPGLSRXKCJEFF-MGBSGCIJSA-N 424.325 -0.598 50 20 HBGD COC(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840037182 WBZFAWZUKMHUSD-IAQYHMDHSA-N 422.276 -0.418 50 20 HBGD C[C@H](NC(N)=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 25400447 RXAADLNGZFDRIE-LBPRGKRZSA-N 419.463 -0.017 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cccc(OC(F)(F)F)c1 728509729 LZLIEAXIKDCIHJ-ZETCQYMHSA-N 405.376 -0.168 50 20 HBGD CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NNC(=O)c1cc(Br)c[nH]1 728513915 ZJLVQKWMUIVOSN-NSHDSACASA-N 400.233 -0.335 50 20 HBGD COCCn1cc(C(=O)OCC(=O)NNC(=O)Cc2nc(C)cs2)ccc1=O 728732815 NPRHRMPHSAWAFE-UHFFFAOYSA-N 408.436 -0.193 50 20 HBGD Cc1cc(C)n(CC(=O)NNC(=O)c2ccc3c(c2)S(=O)(=O)N=C2N=CNN23)n1 731543530 LMXBTSBUXOSZST-UHFFFAOYSA-N 416.423 -0.628 50 20 HBGD C[C@@H]1CN(CCC(=O)NNC(=O)CCn2nnc3ccccc3c2=O)C[C@@H](C)O1 732261035 AFAMNAOQXZUMLM-ZIAGYGMSSA-N 402.455 -0.172 50 20 HBGD CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)c2c[nH]nc2C)cc1 735516648 VPSIBSDTGGZAIJ-UHFFFAOYSA-N 408.440 -0.194 50 20 HBGD COc1ccccc1CC(=O)NNC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 743318229 DRAIQCOJKHICTJ-DTDBQYNISA-N 401.419 -0.062 50 20 HBGD Cn1ccc(N2CCC[C@@H](NC(=O)NNC(=O)CNC(=O)c3cccs3)C2=O)n1 743579284 PWLZGEQGLZXLKG-LLVKDONJSA-N 419.467 -0.263 50 20 HBGD COc1ccc(NC(=S)NNC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cn1 743823711 WGBDAOHTPFVGCG-YIKOMLBNSA-N 419.463 -0.040 50 20 HBGD CC(C)OCCS(=O)(=O)N1CCN(CC(=O)NNC(=O)c2ccccc2)CC1 747844694 GUWYCTNMLXVQSL-UHFFFAOYSA-N 412.512 -0.180 50 20 HBGD CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NNC(=O)CNC(=O)c1ccco1 751202869 JQGIKURLHUQRGB-GFCCVEGCSA-N 400.457 -0.249 50 20 HBGD O=C(CNC(=O)c1cccs1)NNS(=O)(=O)c1ccc(-n2cnnn2)cc1 751282893 RDOLFSAOELFFJV-UHFFFAOYSA-N 407.437 -0.537 50 20 HBGD O=C(NCCNS(=O)(=O)c1ccc(Cl)s1)NNC(=O)C(=O)N1CCCC1 752688350 FXORJQKKBHHOEE-UHFFFAOYSA-N 423.904 -0.367 50 20 HBGD C[C@H](C[S@@](C)=O)NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 753357966 IVWGTESIZROZNB-MZHQLVBMSA-N 418.545 -0.589 50 20 HBGD Cc1cc(Br)ccc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 764229870 CNLICJWYSRDLRS-QMMMGPOBSA-N 421.273 -0.219 50 20 HBGD C[C@H]1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)C(=O)NNC(=O)CO)c1 764421678 QFXBCZZMAXMVKM-NSHDSACASA-N 409.418 -0.283 50 20 HBGD COC(=O)CNC(=O)NNS(=O)(=O)c1ccc(OCCCC(=O)O)c(F)c1 779847134 UPJNHTXBHAYQFW-UHFFFAOYSA-N 407.376 -0.265 50 20 HBGD COc1ccnc(NNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)n1 780336465 HLVVHFUMVHVGOO-YPMHNXCESA-N 411.415 -0.109 50 20 HBGD C[C@@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)[C@@H](C)S(C)(=O)=O 788262699 XWUWRTDCKDGHKL-GHMZBOCLSA-N 405.498 -0.233 50 20 HBGD O=C(CCN/C(O)=C1/N=CC=CC1=O)NNC(=O)CNC(=O)OCc1ccccc1 794065109 SQVXZHXOFMHOBP-ZCXUNETKSA-N 415.406 -0.023 50 20 HBGD COCCN1C(=O)c2ccc(C(=O)NNC(=O)N=c3cc[nH]cc3)cc2S1(=O)=O 802034478 PMQZQSRPYOLHBL-UHFFFAOYSA-N 419.419 -0.239 50 20 HBGD CC[C@H]1CN(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C[C@H](C)S1(=O)=O 804869125 UEUNKRRJLWLFOE-FZMZJTMJSA-N 407.456 -0.086 50 20 HBGD O=C(COc1ccc(Br)cc1)NNC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 1328502078 NIFBTZUKSALLAF-YRGRVCCFSA-N 401.213 -0.612 50 20 HBGD Cn1cnc2c1c(=O)n(CC(=O)NNc1cncc(Br)c1)c(=O)n2C 1335988276 IBVNEEBZGKVKII-UHFFFAOYSA-N 408.216 -0.266 50 20 HBGD C/C(=C/C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1)C(=O)O 1779035305 DMWYBFCVUQAAJK-KEEQEYLASA-N 417.422 -0.841 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)COc3ccc(O)nn3)CCO2)C1 1783882632 PZHFAJXMAXVOEK-YVEFUNNKSA-N 414.846 -0.355 50 20 HBGD CC[C@H](C)[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791288086 WBWATKKIEFSAJP-SIBFUHKCSA-N 412.531 -0.254 50 20 HBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CS(C)(=O)=O 1793371255 FPEOFPDPTPXDIH-HPCHECBXSA-N 410.920 -0.490 50 20 HBGD Cc1ccc(O)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c1 1795735267 ULVOLDHSDNRFJP-CWPLJXCYSA-N 424.262 -0.103 50 20 HBGD COc1nccnc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796190751 HPSBZCSDJOADGH-MUJYYYPQSA-N 410.239 -0.269 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)[C@H]1CCCS1(=O)=O 1796193252 XYGAWKQHCXBZLW-YYIAUSFCSA-N 420.296 -0.805 50 20 HBGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@](C)(O)CC(=O)O)C2 1800763121 OVIZULWZSAHNTK-RGJJHSPJSA-N 421.288 -0.025 50 20 HBGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1)n1ccnc1 1830719562 GEVSYMWPIRHNFJ-CKEIUWERSA-N 400.863 -0.500 50 20 HBGD O=C(CN1CCCC1=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1834623704 LPHYKPUGWPMJTO-MRXNPFEDSA-N 414.934 -0.220 50 20 HBGD CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1839880954 HILMTELGMQJVGA-XHBSWPGZSA-N 420.304 -0.249 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)N(C)C(C)=O)C2)C1 1840152933 YZOHXOMICIJBHN-DHSIGJKJSA-N 419.906 -0.437 50 20 HBGD CS(=O)(=O)N1CCC(C(=O)N2CC3(CCCN3C(=O)[C@H](O)CCl)C2)CC1 1841350952 CEIDQFXMPVNOAE-CYBMUJFWSA-N 407.920 -0.539 50 20 HBGD CC(=O)Nc1cc(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)ccn1 1843013830 SOVMFBWVJHSNIM-UHFFFAOYSA-N 422.250 -0.149 50 20 HBGD Cn1ccc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)n1 727350187 SWKMKRVLGUJQMX-UHFFFAOYSA-N 413.481 -0.172 50 20 HBGD COc1ccc(C(=O)NNC(=O)NCCN2C(=O)CNC2=O)cc1Br 733348408 NHCSBNXJSKVWJQ-UHFFFAOYSA-N 414.216 -0.047 50 20 HBGD N#Cc1ccc(CS(=O)(=O)CC(=O)NNC(=O)CNC(=O)c2ccco2)cc1 751202393 CJSNFSOBPILIIH-UHFFFAOYSA-N 404.404 -0.357 50 20 HBGD COC(=O)CCCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 764450431 PPWOUHFSUGHCKU-UHFFFAOYSA-N 413.452 -0.188 50 20 HBGD CC(=O)CCCCCCC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 764753041 QNHMVFAIIVCPIS-UHFFFAOYSA-N 406.443 -0.489 50 20 HBGD COCCCS(=O)(=O)N1CCN(CC(=O)NNC(=O)c2ccc(C#N)cc2)CC1 770251979 NHZAHXXYOKRHKH-UHFFFAOYSA-N 423.495 -0.697 50 20 HBGD NC(=O)c1cccc(C(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)n1 781995007 PJRBMCCICQUCKD-UHFFFAOYSA-N 405.436 -0.042 50 20 HBGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 783999383 NLRKSMSQUNWLRZ-UHFFFAOYSA-N 421.366 -0.536 50 20 HBGD N#Cc1cccc(C(=O)NNC(=O)CN2CCC[C@@H](N3CCCS3(=O)=O)C2)c1 789374301 KQJBGICYBDSIIZ-MRXNPFEDSA-N 405.480 -0.181 50 20 HBGD CNC(=O)Cn1cc(NC(=O)NNC(=O)CNC(=O)OCc2ccccc2)cn1 797639571 GSLJPJYOSAVXHG-UHFFFAOYSA-N 403.399 -0.292 50 20 HBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1c[nH]nc1[N+](=O)[O-] 801634863 XRXDLYGOVCHYLF-UHFFFAOYSA-N 401.383 -0.463 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@@](C)(O)C3CC3)CC2)cc1 804457708 CBISQHHOSKDANI-IBGZPJMESA-N 424.523 -0.390 50 20 HBGD O=C1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)c3ccccn3)c2)CCN1 906322633 BKIYFBLTJUCVGO-UHFFFAOYSA-N 403.420 -0.723 50 20 HBGD CCn1nc(C(=O)NNC(=O)NC[C@@H]2CCCS2(=O)=O)c2ccccc2c1=O 1117809346 OOZOJKFGMNKSDC-NSHDSACASA-N 407.452 -0.062 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1779033840 FTIXVNYYVODNRD-INIZCTEOSA-N 416.265 -0.068 50 20 HBGD Cn1cccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786979499 QDQHBBNEBRQENI-IEZWGBDMSA-N 411.267 -0.388 50 20 HBGD Cc1ccnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)c1 1786979916 OABKKIXBCNYWNI-QRFRQXIXSA-N 423.278 -0.023 50 20 HBGD CC(=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)[C@H]2C1 1787508780 MRBYPCHGTYGKTD-BIHJWMOISA-N 403.439 -0.311 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cc[nH]n3)[C@H]2C1 1790659130 IYWWCAHEWPGXKJ-BPUTZDHNSA-N 406.487 -0.695 50 20 HBGD C[C@@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(N)=O)[C@H]2C1 1792278179 JDMMAYDTWPGQGX-BJDJZHNGSA-N 405.293 -0.335 50 20 HBGD CC[S@](=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1798288578 YUEUYNUKSKEJBB-FSFWTGJDSA-N 406.313 -0.223 50 20 HBGD C[C@H](C(=O)N1CC[C@H](CNC(=O)[C@H](O)CCl)[C@@H]1c1cccnc1)n1cnnn1 1803146076 KELARJCHGROGPA-NGFQHRJXSA-N 407.862 -0.065 50 20 HBGD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1)n1cccn1 1830736915 BWRVMGGBQZBYJV-KEYYUXOJSA-N 400.863 -0.500 50 20 HBGD Cc1cnn([C@H](C)C(=O)N2CCOC[C@@]3(CN(C(=O)[C@H](O)CCl)CCO3)C2)c1 1830738605 QODBFTBXCCAWFF-RKVPGOIHSA-N 414.890 -0.191 50 20 HBGD O=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1)c1ccccc1 1834702607 ZLSHYJLABSRGBT-BEFAXECRSA-N 410.854 -0.075 50 20 HBGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1835632065 CFSLPRBINUNLBD-KBXCAEBGSA-N 415.922 -0.310 50 20 HBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CNC(=O)C1)CCO2 1839871368 GZTSMEMJXXIOKD-HWWQOWPSSA-N 418.288 -0.638 50 20 HBGD O=C(c1cc2cccnn2n1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011712 JHLXDIMSMTWZDU-UHFFFAOYSA-N 405.223 -0.460 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)Cc1ccc3ncnn3c1)C2 1846385456 IQTYOWLZVSBKIN-UHFFFAOYSA-N 413.482 -0.152 50 20 HBGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)cc1 17196080 AQJOZQSQPKUZIX-UHFFFAOYSA-N 401.404 -0.094 50 20 HBGD COc1ccccc1NCC(=O)NNC(=O)CNS(=O)(=O)c1cn(C)c(C)n1 725880965 OGTOBPFFJIPDTL-UHFFFAOYSA-N 410.456 -0.725 50 20 HBGD O=C(CNC(=O)c1cccs1)NNS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 734807001 FMEQAOWSOASBDQ-UHFFFAOYSA-N 408.461 -0.227 50 20 HBGD Cn1ncc2c(=O)n(CC(=O)OCC(=O)NNC(=O)c3cccc(C#N)c3)cnc21 744630659 BLSMBHNRQOJGND-UHFFFAOYSA-N 409.362 -0.994 50 20 HBGD Cc1ccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1S(=O)(=O)N(C)C 755392467 HCGKEFCNNFLDNA-SNVBAGLBSA-N 421.501 -0.664 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCCN1c1ncnc2sccc12 758037015 XQZMXMHHNMZULN-KOLCDFICSA-N 412.497 -0.255 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)COc2cccc(Cl)c2)n(C)c1=O 765725230 QCKGEMYIMRRLHL-UHFFFAOYSA-N 420.813 -0.687 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@@H]3CCO[C@@H]3C)CC2)cc1 770788888 ZJEBNFQTSFTZMI-NVXWUHKLSA-N 424.523 -0.126 50 20 HBGD CN(CC(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)[C@@H]1CCSC1 772046021 FSNTXGMSOHZMSZ-DOMZBBRYSA-N 409.464 -0.046 50 20 HBGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1cnn(CC(=O)NC2CCCC2)c1 772477898 VJQOBSBNSSYXJL-UHFFFAOYSA-N 413.438 -0.472 50 20 HBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)[C@@H]2CCc3nccn3C2)CC1 788002377 ZJQRKDXFIJLGMM-CQSZACIVSA-N 419.511 -0.080 50 20 HBGD COCCn1nnc2c1CCN(C(=O)NNC(=O)CNC(=O)c1cccs1)C2 814366959 WHXDICCNMJVUBU-UHFFFAOYSA-N 407.456 -0.485 50 20 HBGD O=C(Cn1cnc2ccccc21)NNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 915188412 LLRAUZRHDTVDIE-QWHCGFSZSA-N 419.463 -0.781 50 20 HBGD COc1cccc(C[C@@H](C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)n2nnnc2C)c1 915685539 BQSHSEPSHNAIRV-ZFWWWQNUSA-N 422.467 -0.644 50 20 HBGD CS(=O)(=O)c1ccc(OCCCC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 1115904687 GRDYALCBJBTVDM-GFCCVEGCSA-N 418.493 -0.169 50 20 HBGD CCOC(=O)/C=C/C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783936654 RBNPNZPBDYJEPS-IHHMQQGQSA-N 410.471 -0.691 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@]3(F)Cl)C2)C1 1784065995 MJOHYIZZHYOPGV-JCGIZDLHSA-N 410.638 -0.266 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(O)nc3O)[C@H]2C1 1787432726 YZOSWLUMRPQURL-SYEHKZFSSA-N 414.846 -0.265 50 20 HBGD CC[C@@H](C)[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791288087 WBWATKKIEFSAJP-XZLOLGPPSA-N 412.531 -0.254 50 20 HBGD O=C(CCBr)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)n2[nH]nnc2n1 1796570641 OHNRMAWMHGKINJ-ILWJIGKKSA-N 424.259 -0.151 50 20 HBGD CN1CCN(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCC(=O)NN(C)C)CC1 1802333360 PHUMAUNKPJATBS-BCDXTJNWSA-N 422.574 -0.365 50 20 HBGD CSCC[C@@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1802360588 LLMPNRLAOJNNLA-YYIAUSFCSA-N 406.313 -0.268 50 20 HBGD C[C@@H](CN)C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815339441 FZNWOIZHCWDBOQ-GXFFZTMASA-N 402.285 -0.357 50 20 HBGD NC(=O)CC[C@H](N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](O)CCl)CC1 1826817660 INQDVENFSIWKDM-RRFJBIMHSA-N 402.923 -0.201 50 20 HBGD Cn1cccc1C(=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830738587 QDBQGEOQIBHQGZ-RDTXWAMCSA-N 413.858 -0.736 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)COCCO)C2)C1 1839154764 XHBFDUKFPOVQIF-HZPDHXFCSA-N 413.298 -0.312 50 20 HBGD C[C@H](NC=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839201714 HIXDRYDXNRLYNM-COPLHBTASA-N 410.240 -0.732 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)n2)C1 1843357848 AHJMZOHSAVGEHN-UHFFFAOYSA-N 413.394 -0.983 50 20 HBGD CNc1nsnc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(B(O)O)cc1 1847260394 HSADVNGIHGENGY-STQMWFEESA-N 401.257 -0.611 50 20 HBGD O=C(Cc1cn2c(nc1=O)SCC2)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847565442 RACISBGAIHCTKQ-RWMBFGLXSA-N 412.899 -0.307 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CNC(=O)O1 1847849285 QBFHPJYCOVXYAO-CLWQLUMFSA-N 402.411 -0.569 50 20 HBGD COCCN(C)CCNC(=O)NNC(=O)c1sc(N2CCOCC2)nc1C 727033351 QZEHQXJEYXBXEZ-UHFFFAOYSA-N 400.505 -0.190 50 20 HBGD COc1ccc(C)cc1N1C[C@H](C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)CC1=O 729275311 NAHNJMGWLMRANE-VXGBXAGGSA-N 412.468 -0.558 50 20 HBGD O=C(CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NNC(=O)CNC(=O)c1cccs1 742612075 HWPVDQXFBZGYBB-XEQNPHJVSA-N 420.447 -0.822 50 20 HBGD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 746103497 SQBQRXJVQKBVFE-VHSXEESVSA-N 402.433 -0.591 50 20 HBGD C[C@H](C(=O)NNC(=O)Cc1cn2ccccc2n1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 746548009 BSVXVXIWNBQJGJ-BOFATEMHSA-N 411.418 -0.425 50 20 HBGD CN1C[C@H](NC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1=O 750652535 BZWRMYNFSQKISY-CYBMUJFWSA-N 409.468 -0.354 50 20 HBGD O=C(COC(=O)C[C@@H]1C=CS(=O)(=O)C1)NNC(=O)[C@@H]1COc2ccccc2O1 756832562 VRNFPOHMJNQJNU-FZMZJTMJSA-N 410.404 -0.535 50 20 HBGD CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758026574 RNQAHQSBIXQATF-ZJUUUORDSA-N 412.534 -0.282 50 20 HBGD CC(C)(C)C(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 761064349 XETMQJXRVCQCMK-UHFFFAOYSA-N 412.468 -0.161 50 20 HBGD CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(Cl)cc2)n1 763684820 OKGKRYHAUQZCAD-UHFFFAOYSA-N 422.829 -0.210 50 20 HBGD COC(=O)CCN1CCN(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)[C@H](C)C1 774658275 GMHJRJJOXLLVGM-CYBMUJFWSA-N 416.442 -0.414 50 20 HBGD CC(C)(CNC(=O)NNC(=O)CNC(=O)OCc1ccccc1)NS(C)(=O)=O 792932854 SJMNGGLGAULWIB-UHFFFAOYSA-N 415.472 -0.429 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)cc1 801106691 YHHNLZFLKICICL-AWEZNQCLSA-N 403.420 -0.189 50 20 HBGD Cc1ccc(S(=O)(=O)N2CC[C@H](B(O)O)C2)cc1S(=O)(=O)N1CCOCC1 864230870 FVHNUZJQUXVUFB-ZDUSSCGKSA-N 418.302 -0.747 50 20 HBGD Cc1nc(S(=O)(=O)N2CCC(C(=O)NNC(=O)Cc3ccncc3)CC2)cn1C 1116186045 JMIVODLGNNPPCO-UHFFFAOYSA-N 420.495 -0.086 50 20 HBGD COC(=O)C1(CNC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CCOCC1 1320086803 QMOCCRGAIBMGBE-UHFFFAOYSA-N 420.470 -0.007 50 20 HBGD Cc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c(O)n1 1783934849 IHTOFCYOOTYWIK-FQEVSTJZSA-N 419.482 -0.088 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)C(F)(F)F)C[C@@H]21)[C@H](O)CCl 1784096527 ZNTDMRMPSWORIW-MMWGEVLESA-N 415.796 -0.756 50 20 HBGD Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)on1 1793890425 NZVDRBVWEOVTLQ-HBCWATKFSA-N 407.471 -0.512 50 20 HBGD CCn1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)n1 1794882129 UEQPRAYAUXFEGP-ZSBFGKGUSA-N 406.487 -0.521 50 20 HBGD Cc1ccnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)c1 1796531717 YMERQKXHENJGFR-ZSBFGKGUSA-N 424.461 -0.094 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@H]1CCOC1)C2 1801012171 KAKYBVQIEDAQPE-MFCZKXCZSA-N 410.515 -0.234 50 20 HBGD O=C1NC[C@@H](C(=O)N2CCCC3(CCN(C(=O)c4ccc(B(O)O)cc4)CC3)C2)O1 1806109002 VAKVGOSXJPCISK-INIZCTEOSA-N 415.255 -0.680 50 20 HBGD C[C@@H](CN)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1814741375 HOKHYHFRHCLZCM-GWCFXTLKSA-N 402.285 -0.357 50 20 HBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)CC(N)=O)CCO2 1831615998 OQYXIFRBCITXHH-WQGACYEGSA-N 420.304 -0.262 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@@H]3F)C2)C1 1837460325 BICNYXJSUODIBF-ZUEVXXBESA-N 421.429 -0.887 50 20 HBGD CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)n(C)n1 1838038719 GJZRSJUBGPZUSU-CRAIPNDOSA-N 414.890 -0.348 50 20 HBGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)COCCO)CCO2)C1 1839191742 DTXXRNJOAIRMFH-BBRMVZONSA-N 423.304 -0.517 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC(=O)NC3)C2)C1 1840149691 XUKVHLGBROFKHQ-DEYYWGMASA-N 417.890 -0.777 50 20 HBGD CC(=O)NC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844263543 OUKBQOYNLXJQNQ-UHFFFAOYSA-N 402.455 -0.583 50 20 HBGD O=C(NNC(=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 727786419 PNWCBFIAEFAGHG-BDAKNGLRSA-N 401.363 -0.268 50 20 HBGD COc1ccc(NC(=S)NNC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cn1 743823709 WGBDAOHTPFVGCG-FIXIBIHLSA-N 419.463 -0.040 50 20 HBGD C[C@H](C(=O)NNc1nc2ccccc2c(=O)n1C)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 746257774 GYDZDBIGIGNTNS-NSAPBPOKSA-N 411.418 -0.073 50 20 HBGD CC[C@@H](NC(=O)NNC(=O)COc1ccccc1[N+](=O)[O-])C(=O)N1CCOCC1 753056464 HBOLZRLTPMYLAF-GFCCVEGCSA-N 409.399 -0.059 50 20 HBGD Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NNC(=O)Cc2cc[nH]n2)C1 755281980 LVGPTDDPLUKMMA-GFCCVEGCSA-N 410.456 -0.195 50 20 HBGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)co1 755498400 IDJAMMJSEYUSAH-UHFFFAOYSA-N 401.422 -0.334 50 20 HBGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccc(I)cc1 764424518 IXLMSGLQPHWKMN-SNVBAGLBSA-N 419.175 -0.208 50 20 HBGD COC(=O)c1ccc(N2CCCC2)c(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)c1 764433389 MVQZYYBIPBLKPV-HNNXBMFYSA-N 420.422 -0.425 50 20 HBGD Cc1cccc(C(=O)NNC(=O)CN2CCC(N3CCS(=O)(=O)CC3)CC2)c1 766866283 MLMCUTBAPVUYJL-UHFFFAOYSA-N 408.524 -0.049 50 20 HBGD CSCCNC(=S)NNC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 769768526 CIZDJTRCOCMEMU-UHFFFAOYSA-N 407.521 -0.083 50 20 HBGD CCc1c(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)nnn1Cc1ccc(F)cc1 787886905 SXCICQPIKWGWCK-SNVBAGLBSA-N 412.447 -0.273 50 20 HBGD Cn1cccc1C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 907053873 NNVSPKPTJYDTOJ-UHFFFAOYSA-N 405.436 -0.780 50 20 HBGD Cn1c(=O)c2ccc(C(=O)NNC(=O)Cn3cnc4ccccc43)nc2n(C)c1=O 914222183 WGGICNRDCUVESL-UHFFFAOYSA-N 407.390 -0.557 50 20 HBGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1ccc2c(c1)CCC(=O)N2 915958667 PWOUUFVFSHWPQM-UHFFFAOYSA-N 416.463 -0.004 50 20 HBGD O=C(COC(=O)C(F)(F)F)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1778891457 GFHNZUGDGCXEDO-ZANVPECISA-N 402.753 -0.479 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)NC=O)C2)C1 1781244186 AHNXWGBQNPJRQE-RGWYBSLCSA-N 418.454 -0.915 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1ccccn1)CCO2 1783934015 RYMJYVMRUYYWSE-FQEVSTJZSA-N 403.483 -0.173 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)[C@H]1CCC=CO1 1788580649 GGRGOPSSVXTTOX-KANFNMMFSA-N 414.267 -0.348 50 20 HBGD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)n(C)n1 1791288741 RXFYOLHVUBHRHP-ZOBUZTSGSA-N 420.514 -0.305 50 20 HBGD CO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1791319620 YSZZIMFMZCGHHF-KNPMLCFXSA-N 405.455 -0.687 50 20 HBGD O=C(CC1(O)CCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1791821791 WYCOZFKZVIOTLN-SZMVWBNQSA-N 416.283 -0.735 50 20 HBGD CCc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)n(C)n1 1798168222 QKJGBKVVMPHJSC-HBCWATKFSA-N 420.514 -0.441 50 20 HBGD O=C(c1cncc(F)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830724046 CKSLPDSPJUFLTI-WMLDXEAASA-N 401.822 -0.110 50 20 HBGD O=C(c1ccc2nn[nH]c2c1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839628320 ZGDFGRQXVIUFMU-YJBOKZPZSA-N 423.857 -0.372 50 20 HBGD CC(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Br)CCO2 1840035021 DFVBRTXWNWYHJB-NHYWBVRUSA-N 406.277 -0.638 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])cn1 1848163666 RHFDFKOJFVKNOJ-KBPBESRZSA-N 407.431 -0.634 50 20 HBGD Cc1cc(C)n(CC(=O)NNC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)n1 8300895 KGBGXTSKISRILZ-UHFFFAOYSA-N 410.434 -0.281 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 725740845 ZUSRVXKQSYUCRO-UHFFFAOYSA-N 406.420 -0.089 50 20 HBGD CS(=O)(=O)N1CCN(CCNC(=O)NNC(=O)CCCc2ccccc2)CC1 727844168 FWWPGQCQPRUVEO-UHFFFAOYSA-N 411.528 -0.083 50 20 HBGD CCC(=O)NNC(=O)[C@@H](C)Sc1nnc(SCC(=O)N(CC)CC)n1N 731904713 PNIQPMBBASXDRD-SECBINFHSA-N 403.534 -0.010 50 20 HBGD COC(=O)c1cccc(NC(=O)C(=O)NNC(=O)CN(C)C)c1Br 756155888 XABRQAGMWUDQPH-UHFFFAOYSA-N 401.217 -0.117 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H](C)N1CCN(c2ccc(F)cc2)CC1 758049418 ZNADGSJRSKTCGT-QWHCGFSZSA-N 415.491 -0.579 50 20 HBGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1 764396705 ANLWEBPJZMYZJH-LBPRGKRZSA-N 412.418 -0.200 50 20 HBGD CCOC(=O)c1cnc(NNC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)nc1C 778425140 LWMFEQKEGFUFFT-OXHZDVMGSA-N 403.395 -0.433 50 20 HBGD Cn1c(=O)c2ccc(C(=O)NNC(=O)CCNC(=O)OC(C)(C)C)nc2n(C)c1=O 780973517 BALRYCGVRQMLNZ-UHFFFAOYSA-N 420.426 -0.692 50 20 HBGD CC(=NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1cnnn1C 814877762 YZKJGAXZXXHPMO-UHFFFAOYSA-N 419.511 -0.030 50 20 HBGD COCCN(C)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 816562575 QQJAXTBWHOOCOR-UHFFFAOYSA-N 400.501 -0.004 50 20 HBGD O=C(COc1ccc(F)cc1)NNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 914878899 ROLHDTUCJORNCF-DGCLKSJQSA-N 413.427 -0.613 50 20 HBGD Cc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 919886827 WHWHAPGVNKAHAR-LBPRGKRZSA-N 418.497 -0.819 50 20 HBGD Cc1sc2ncn(CC(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)c(=O)c2c1C 919889377 LQBNFVLKVKLBSM-SNVBAGLBSA-N 413.481 -0.408 50 20 HBGD COCC(=O)NCCC(=O)NNC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 1116080735 GZHPXNISUQRUKT-UHFFFAOYSA-N 401.464 -0.131 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)N1CCN(C)CC1)CCO2 1783879873 BIDPPKUAAXRTAB-GPMSIDNRSA-N 416.950 -0.294 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1ccccc1=O)CCO2 1783933929 NPAFBDZCHGBEAO-FQEVSTJZSA-N 419.482 -0.949 50 20 HBGD CC[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cnnn3)[C@H]2C1 1787094105 JEYCUWGCNRNRMD-CYDGBPFRSA-N 415.292 -0.174 50 20 HBGD CC[C@@H](C)[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791288084 WBWATKKIEFSAJP-CUGJGTHOSA-N 412.531 -0.254 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc[nH]1 1794712302 GJEWKHNLBWKFIO-NNGSTNBRSA-N 413.438 -0.253 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cc2n(n1)CCC2 1797513507 KTHIMMYAUDWIDV-CCWDJLKJSA-N 424.266 -0.974 50 20 HBGD COC[C@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@](C)(Cl)CCl)C2 1797967892 BUYBSWMLLOKODW-IQNXINDISA-N 424.325 -0.037 50 20 HBGD CCCC(=O)N[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1798597847 YYDRJINBWGZXLP-RUGDWHBFSA-N 415.299 -0.077 50 20 HBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COC(=O)C(F)(F)F)C2 1800976909 LEYSWPCGWAPNPR-WYFGTUCQSA-N 416.780 -0.065 50 20 HBGD N=C1NCCN1CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](O)CCl)CC2 1814916244 QBSDXGOPXLQBCW-SCZZXKLOSA-N 400.892 -0.505 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(=O)oc3)CCO2)C1 1834597254 AJKQVHKWMMSRKJ-KBXCAEBGSA-N 414.842 -0.036 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3nccn3)C2)C1 1837715126 XUOLFOJYMJOBJM-QGZVFWFLSA-N 411.535 -0.414 50 20 HBGD C[C@H](O)C(=O)N1CCC(OC2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1838395391 LFCFXUCKBAODHU-ZDUSSCGKSA-N 419.482 -0.322 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCNC3=N)C2)C1 1839144279 UEAWBGFIJIWIPH-DYVFJYSZSA-N 401.895 -0.700 50 20 HBGD CN1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)C1 1839203802 WPUNJHGIGZOZDB-WFASDCNBSA-N 408.268 -0.305 50 20 HBGD O=C(c1cccc(=O)n1O)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840186850 WMYDZUXQGXENNQ-MRXNPFEDSA-N 420.249 -0.041 50 20 HBGD CC[C@@H](NC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)C(Cl)Cl)CCO2)C1 1840187469 CWCKMBZSEOQKBM-BMIGLBTASA-N 411.286 -0.307 50 20 HBGD CC(=O)Nc1cccc(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)n1 1842163450 JWMRAMAJEIVHCA-UHFFFAOYSA-N 422.250 -0.149 50 20 HBGD CCOC(=O)c1cc(S(=O)(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)ccc1F 728503711 XWHFAWJQAXEDGI-VIFPVBQESA-N 408.429 -0.253 50 20 HBGD COC(=O)NCCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 730736987 VHCNXRADRLNZGN-UHFFFAOYSA-N 414.440 -0.785 50 20 HBGD COc1ccc(C(=O)NNC(=O)CN2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1OC 734486471 NLYUCPAOFRNICR-CVEARBPZSA-N 406.483 -0.004 50 20 HBGD CCCCNC(=O)CN1CCN(CC(=O)NNC(=O)c2cccc(C#N)c2)CC1 744385654 RWYAOAWXNAXJKZ-UHFFFAOYSA-N 400.483 -0.147 50 20 HBGD COc1ccccc1-c1cc(C(=O)NNC(=O)Cn2cnc3c(cnn3C)c2=O)n[nH]1 765592384 KMXLUAPOGYEGOB-UHFFFAOYSA-N 422.405 -0.010 50 20 HBGD O=C(CN1CCN(Cc2ccccc2Cl)CC1)NNC(=O)C(=O)NCC(F)F 768070921 KKDMLQXMPWRCQF-UHFFFAOYSA-N 417.844 -0.014 50 20 HBGD CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 770642945 ARRMKMVRAKINNN-LLVKDONJSA-N 419.529 -0.295 50 20 HBGD O=C(NNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1O)N[C@H]1CCS(=O)(=O)C1 780908168 RETFXJXMXBRQRC-AAEUAGOBSA-N 410.452 -0.486 50 20 HBGD O=C(NNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)c1cccc([N+](=O)[O-])c1 914829679 LKXKXSGUIDRMOL-WCQYABFASA-N 410.408 -0.609 50 20 HBGD Cc1cccc2c(=O)n(CCC(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)cnc12 919889843 VKKWKHFFTXJOTR-GFCCVEGCSA-N 407.452 -0.387 50 20 HBGD COC(=O)C(=O)NNC(=O)NC[C@H](c1ccc(OC)c(OC)c1)N1CCOCC1 1319003022 GOFPUXCWNSPZTH-CYBMUJFWSA-N 410.427 -0.420 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3ccc(O)nc3)C2)C1 1780254893 ZRMUDLKICHRHRU-FQEVSTJZSA-N 411.223 -0.776 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)n2[nH]nnc2n1)C(Cl)Cl 1796574788 XRAKKBBMXIPUQP-RNLVFQAGSA-N 400.226 -0.132 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=COCCC1 1801046999 LGJVFKFYGYIJJX-XOIINTDNSA-N 415.450 -0.417 50 20 HBGD CCC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830738730 STZZRYLRCBPQFD-RLFYNMQTSA-N 419.906 -0.653 50 20 HBGD CNC(=O)CC(=O)NC1CCN(C2CCN(C(=O)[C@H](Cl)COC)CC2)CC1 1833440215 SUMWWSYQWLFWBU-OAHLLOKOSA-N 402.923 -0.052 50 20 HBGD O=C(c1cc2n(n1)CCC2)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837088827 QADNMLXFJPMPRD-MAUKXSAKSA-N 412.874 -0.501 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(N)=O)C2)C1 1839155142 KKIRSDRPPCNKTQ-HOTGVXAUSA-N 410.298 -0.055 50 20 HBGD C[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NC=O)CCO2 1839166689 QIVBEEMGPDIDIC-HUBLWGQQSA-N 406.277 -0.639 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3C)C2)C1 1840155304 WXECIMOSFGZPLK-GLJUWKHASA-N 417.890 -0.683 50 20 HBGD COCCN1CC[C@@H](NC(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)C1 736651862 TWENCPARRQQBGV-CYBMUJFWSA-N 412.516 -0.047 50 20 HBGD CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)NNC(=O)c2ccc(C#N)cc2)c1 742448694 HHRUGHBEKDWMKI-UHFFFAOYSA-N 403.420 -0.569 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(Oc2ccccn2)c1 764227930 SNMRCEYIMSBHHH-LLVKDONJSA-N 421.435 -0.103 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(OC(F)(F)F)c1 764231721 PFPLYBJDGDMULA-SSDOTTSWSA-N 412.346 -0.391 50 20 HBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F 772012360 KAHUEKNYIVQYIP-LNSITVRQSA-N 409.414 -0.181 50 20 HBGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1OC 799119903 KUJRFNUVXGUKQZ-SECBINFHSA-N 406.438 -0.774 50 20 HBGD O=C(NNc1ccccc1S(=O)(=O)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1116166640 KLNMLTCTNIQYHC-GFCCVEGCSA-N 403.482 -0.415 50 20 HBGD CCN1CCC(N2CCC(C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)CC2)CC1 1326730786 ZNGREGRADDCVGU-OAHLLOKOSA-N 400.545 -0.235 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)CC3(O)CCC3)CCO2)C1 1779034223 PNCASPHUSVMQKL-FQEVSTJZSA-N 417.466 -0.566 50 20 HBGD NC(=O)CC[C@H](N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21 1786800597 MMSLNPSMQKHHIO-CYDGBPFRSA-N 419.320 -0.656 50 20 HBGD CC(C)NCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1786957947 WEHZCYOGUCTOHS-ULQDDVLXSA-N 411.547 -0.273 50 20 HBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CC(O)C3)C[C@@H]21 1788607941 XYUYMAJUGZXSSO-JIMPKYJGSA-N 417.466 -0.951 50 20 HBGD C[C@H](NC=O)C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809969759 RJLARPDAUWMGSB-HNNXBMFYSA-N 401.272 -0.654 50 20 HBGD CS(=O)(=O)CCC(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833312929 MJKUCDFCBUTFOX-OAHLLOKOSA-N 423.963 -0.408 50 20 HBGD CS(=O)(=O)CC(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1834568796 JTJQFUQFZZKFPO-CQSZACIVSA-N 409.936 -0.798 50 20 HBGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CSC(=N)N)CCO2)C1 1835516700 SYRKLWYRZHMBLP-YGRLFVJLSA-N 423.333 -0.147 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1839236815 MIOTXOJMYMTNKS-CVEARBPZSA-N 420.297 -0.029 50 20 HBGD COc1cccc(CC(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)n1 1841989734 KSMOVRMNJSJIKA-UHFFFAOYSA-N 409.251 -0.170 50 20 HBGD Cn1ncc(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)c1Cl 1843011684 GDPSWNLVWRENNC-UHFFFAOYSA-N 402.647 -0.116 50 20 HBGD CN1CCC(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cnccc2C(=O)NN)CC1 1847305194 ILRPVQREDUVTNK-IRXDYDNUSA-N 400.483 -0.158 50 20 HBGD CC(=O)N[C@@H](CC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1ccc(Cl)cc1 729274985 ITUZSQDPDDEAOQ-RNCFNFMXSA-N 404.876 -0.008 50 20 HBGD CCOC(=O)c1c(C)[nH]c(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)c1C 730569831 AETONTVUHCZWNA-UHFFFAOYSA-N 422.467 -0.157 50 20 HBGD COC(=O)c1cccc(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1C 731177053 BQIVUFYGQGZZQX-JTQLQIEISA-N 405.454 -0.539 50 20 HBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@H]2CCN(C)C2=O)c1 739059385 NJLWQDIZJAZWBN-AWEZNQCLSA-N 411.484 -0.108 50 20 HBGD NC(=O)CS(=O)(=O)c1ccc(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 742469856 JNHJQIGKDLSMHX-OAHLLOKOSA-N 419.415 -0.453 50 20 HBGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)Cc2ccc(S(N)(=O)=O)cc2)c1 744951504 ZNNMMVAKIASCGP-UHFFFAOYSA-N 416.415 -0.247 50 20 HBGD CC(=O)N1CCN(c2ccc(C(=O)NNC(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 745992620 FRXUSRFHHONPHL-UHFFFAOYSA-N 420.426 -0.050 50 20 HBGD O=C(NCCC(=O)N1CCN(c2ccccc2)CC1)NNC(=O)C(=O)NC1CC1 748465709 QQJYLEHMKGJKPT-UHFFFAOYSA-N 402.455 -0.666 50 20 HBGD C[C@@H](CNC(=O)C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1)S(N)(=O)=O 763593276 ANBQFHNRWKBFJC-NSHDSACASA-N 414.484 -0.697 50 20 HBGD CNC(=O)Cn1cc(NC(=O)C(=O)NNC(=O)COc2cc(C)cc(C)c2)cn1 763648026 SGSJRRJFQQKFJB-UHFFFAOYSA-N 402.411 -0.589 50 20 HBGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cccc(-n2cnnn2)c1 763656873 HENDSVFADYWXGD-UHFFFAOYSA-N 411.378 -0.164 50 20 HBGD Cc1c(NC(=O)C(=O)NNC(=O)CN(C)C)cccc1C(=O)N1CCSCC1 764211870 LXXDMFHYHCHNAG-UHFFFAOYSA-N 407.496 -0.168 50 20 HBGD O=C(CO)NNC(=O)C(=O)Nc1ccnn1Cc1ccc(OC(F)(F)F)cc1 764430032 QWEPODVYKDVRFP-UHFFFAOYSA-N 401.301 -0.092 50 20 HBGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)co1 794076718 OGVWYVADVNMYQP-UHFFFAOYSA-N 410.408 -0.125 50 20 HBGD COc1cc(OC)cc(C(=O)NNS(=O)(=O)CCCS(=O)(=O)N(C)C)c1 811678265 USFJNWZKAAOFMK-UHFFFAOYSA-N 409.486 -0.451 50 20 HBGD COC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)[C@H](C)Oc1ccccc1F 815565803 ASXARBPMKQMCSR-VIFPVBQESA-N 407.358 -0.101 50 20 HBGD COc1cccc(/C=C(/C(=O)NNC(=O)[C@H]2CCc3nncn3C2)n2nnnc2C)c1 816878272 NYWMEHIBMDGHGR-CIKBWMHTSA-N 423.437 -0.010 50 20 HBGD C[C@@H]1CN(CCC(=O)NNC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)C[C@@H](C)O1 912924846 TXVQYRRUBRIJPC-SUFLJWRBSA-N 404.467 -0.560 50 20 HBGD CC(C)NC(=O)C(=O)NNC(=O)CSCCOc1ccc(S(N)(=O)=O)cc1 918550525 HNFZZNOGQDPWPO-UHFFFAOYSA-N 418.497 -0.882 50 20 HBGD Cn1c(NNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)nc2ccccc2c1=O 1318560590 MTZQDQWQVUTELA-NWDGAFQWSA-N 419.463 -0.588 50 20 HBGD Cc1n[nH]c(C)c1C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1779399969 IRODPEIJTHBYJO-LJQANCHMSA-N 406.487 -0.157 50 20 HBGD N#Cc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)cc1 1780696407 VHVFNBPHLPPQKB-QFIPXVFZSA-N 419.246 -0.005 50 20 HBGD CC(=O)NCC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784085863 QLQCBOVGBLACQK-AJNGGQMLSA-N 403.907 -0.272 50 20 HBGD Cn1cc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)cn1 1796187050 JFJHRQMFKWEPAI-REPLKXPHSA-N 410.283 -0.016 50 20 HBGD CS(=O)(=O)CC(=O)N1CCCC2(CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1 1809423743 YZKUPWSRAVUZRX-UHFFFAOYSA-N 422.312 -0.744 50 20 HBGD O=C1NC[C@@H](C(=O)N2CCC3(CCCN(C(=O)c4cccc(B(O)O)c4)C3)CC2)O1 1809977886 LOKQFJAVEVNYDX-INIZCTEOSA-N 415.255 -0.680 50 20 HBGD CN1CC(C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)C1 1813608011 MKJVEJPLKGFVJE-XLIONFOSSA-N 422.294 -0.357 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)C1CCCC1)CCO2 1834645602 BVWSPQIZDSUFLN-OAQYLSRUSA-N 416.283 -0.373 50 20 HBGD NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCBr)CCO2 1834825378 YECDKAGWGMGBIB-OAHLLOKOSA-N 406.277 -0.507 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)n3)C2)C1 1839145117 VFDSHWCVBFYSQZ-PIGZYNQJSA-N 414.846 -0.025 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnn3C)C2)C1 1840150600 OCAMBSAXYWYQJC-DYVFJYSZSA-N 400.863 -0.256 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2ccnc(Cl)n2)C1 1844450807 CGEIVGNRXYLYTJ-UHFFFAOYSA-N 400.631 -0.059 50 20 HBGD C[C@@H](Br)C(=O)N1CCCC12CN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2 1846176435 IUFSGSJDHIJKDE-MRVPVSSYSA-N 410.232 -0.587 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1cc3n(n1)CCCO3)C2 1846385038 NLTFXUFYGDMZCA-UHFFFAOYSA-N 404.471 -0.144 50 20 HBGD CSCC[C@H](C(=O)NNC(=O)C(=O)NC1CC1)N1C(=O)c2ccccc2C1=O 9889720 PGXWKROTKAOLRK-CYBMUJFWSA-N 404.448 -0.170 50 20 HBGD CCC1(CC)NC(=O)N(CC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)C1=O 728844675 AQEJGMBZUADWHS-UHFFFAOYSA-N 417.470 -0.049 50 20 HBGD O=C(NC[C@H]1CN2CCC[C@@H]2CO1)NNC(=O)c1csc(N2CCOCC2)n1 729493947 GHFANXKIFIXTRZ-OLZOCXBDSA-N 410.500 -0.213 50 20 HBGD CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1 730077197 NQRYTAUUDBFUCZ-MRXNPFEDSA-N 423.495 -0.303 50 20 HBGD CC1CCC(NS(=O)(=O)CC(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 731618310 YQZLPCXFDOZVOI-MCIGGMRASA-N 410.518 -0.998 50 20 HBGD C[C@H](C(=O)OCC(=O)NNC(=O)c1cccs1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 745442116 VUQLUDZWDDSHGZ-CAWZCGCOSA-N 421.431 -0.397 50 20 HBGD C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1 755047899 ACTKWAOQHGASJE-WDEREUQCSA-N 413.431 -0.159 50 20 HBGD CCNC(=O)N1CCc2ccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc21 756736773 JAKPAOPCJMHGIE-SNVBAGLBSA-N 412.472 -0.131 50 20 HBGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(S(C)(=O)=O)cc2C)n1 763881782 PVXJLIUEUDZANX-UHFFFAOYSA-N 407.452 -0.002 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CSCC(=O)N2CCOCC2)cc1C 798307468 WJCJFEOWWAXVOZ-UHFFFAOYSA-N 408.480 -0.019 50 20 HBGD Cc1ccc(CCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)s1 810592384 MMKLXSBCPRFZKJ-UHFFFAOYSA-N 404.452 -0.416 50 20 HBGD C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NNC(=O)[C@@H]1CCc2nncn2C1 816876180 PVYUDFRSRISGJP-WCQYABFASA-N 417.451 -0.773 50 20 HBGD O=C(Cc1c[nH]c2ccccc12)NNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 912953250 ZBPPNINELYDOSM-KBPBESRZSA-N 418.475 -0.107 50 20 HBGD CC(=O)c1cccc(S(=O)(=O)NCC(=O)NNC(=O)Cn2nc(C)cc2C)c1 913025933 ZAYFOUCSCASQPZ-UHFFFAOYSA-N 407.452 -0.172 50 20 HBGD O=C(CNC(=O)c1ccc(Br)o1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 920212401 ICMKUSHADHFVOZ-ZETCQYMHSA-N 423.245 -0.711 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCCCN1C)CCO2 1783932968 NGDQQOTZYZDPJZ-UZLBHIALSA-N 409.531 -0.326 50 20 HBGD C=CC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2 1797945926 ANLYVEYVNWEIPC-QTCIEIIFSA-N 406.252 -0.043 50 20 HBGD C=CC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2 1797945927 ANLYVEYVNWEIPC-UWHIDBLNSA-N 406.252 -0.043 50 20 HBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccnnc1O 1799071365 LOLSZOZVSOVEPD-ZSBIGDGJSA-N 411.422 -0.254 50 20 HBGD Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)nn1C 1801010723 SGYCDXXSBGCBJE-YVWYUNDQSA-N 420.514 -0.766 50 20 HBGD NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1812629483 ZDOBIABNXKQFSZ-UZLBHIALSA-N 424.266 -0.654 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)[C@@H]2C=CCN2)[C@H]1c1cccnc1 1813071607 USIRUHPJKIKRMN-ZWOKBUDYSA-N 414.510 -0.012 50 20 HBGD C[C@H](NC=O)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827052464 JUSXBKWGQYUEKX-HNAYVOBHSA-N 415.299 -0.266 50 20 HBGD O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830730628 BPVCFFVGARSMNG-LRDDRELGSA-N 416.818 -0.407 50 20 HBGD O=C(CCc1cnc[nH]1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1832805069 LYQDHQJROAEFHZ-PBHICJAKSA-N 400.863 -0.602 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ncccn3)CCO2)C1 1833170613 NGBLEJRNSQHGHN-RDTXWAMCSA-N 412.874 -0.271 50 20 HBGD O=C1CC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)N1 1835124636 KSFJQHWEVLPKTD-NVBFEUDRSA-N 422.251 -0.588 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)CNC(=O)c1ccc(Br)o1 725901948 BUCRHISNQPGCPW-UHFFFAOYSA-N 413.184 -0.058 50 20 HBGD Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NNC(=O)N2CCOCC2)C1 729347673 DZOMQYHHPGZZSI-CYBMUJFWSA-N 414.488 -0.500 50 20 HBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 732082813 NNQPLFOGWCYJQN-RWMBFGLXSA-N 411.484 -0.411 50 20 HBGD CNS(=O)(=O)C1CCN(CC(=O)NNC(=O)c2ccc(OC)c(OC)c2)CC1 732206039 QLBQCGHZLDYEED-UHFFFAOYSA-N 414.484 -0.522 50 20 HBGD CC[C@@]1(C)NC(=O)N(CC(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)C1=O 741828852 HAYICRCZKRXNJN-GOSISDBHSA-N 401.379 -0.417 50 20 HBGD O=C(NNC(=O)[C@H](c1cccc(F)c1)N1CCOCC1)N[C@@H]1CCS(=O)(=O)C1 742055386 MSVPOQWUQJORMA-CABCVRRESA-N 414.459 -0.284 50 20 HBGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)Cn2c(O)nc3ccccc3c2=O)c1 744718492 FYMCEYPKUFBUDO-UHFFFAOYSA-N 421.369 -0.022 50 20 HBGD Cc1nnc2n1C[C@H](C(=O)OCC(=O)NNC(=O)[C@H]1COc3ccccc3O1)CC2 750671411 CAADRHXGFZOYEL-IUODEOHRSA-N 415.406 -0.320 50 20 HBGD CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)NNC(=O)[C@H]2COCCO2)cc1 756788653 BBWDWCAWSZHFOG-SMDDNHRTSA-N 408.411 -0.064 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ncoc1-c1ccc2c(c1)OCCO2 758027728 WVUFQWIWYHJGQJ-VIFPVBQESA-N 410.408 -0.189 50 20 HBGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccn(CC(=O)N(C)C)n2)cc1 763808472 BRBJJRSKZCSAFD-UHFFFAOYSA-N 402.411 -0.555 50 20 HBGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)CN3CCCS3(=O)=O)CC2)cc1 765748297 LPLULZWJEOJASV-UHFFFAOYSA-N 423.539 -0.704 50 20 HBGD O=C(O)c1cc(S(=O)(=O)NNC(=O)[C@H]2CCc3nncn3C2)cc2c1OCCO2 793449016 XDLHDPPSNRIUKA-VIFPVBQESA-N 423.407 -0.680 50 20 HBGD Cc1cnc(Br)c(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 812980492 RYEAPCHSHGZVDJ-ZETCQYMHSA-N 422.261 -0.824 50 20 HBGD COc1cccc(/C=C(\C(=O)NNC(=O)[C@H]2CCc3nncn3C2)n2nnnc2C)c1 816878273 NYWMEHIBMDGHGR-FSEGOYHTSA-N 423.437 -0.010 50 20 HBGD O=C(NNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)c1ccc(Cl)nc1 917252595 PGGOLJOHZAAWSS-GHMZBOCLSA-N 400.844 -0.468 50 20 HBGD CO/C=C(\C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779031665 CQGARVVWFZOEPJ-YFPIXMDGSA-N 403.439 -0.321 50 20 HBGD CNC(=S)NCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2 1779375188 GBEPCPPMBJVLDN-OGHNNQOOSA-N 420.963 -0.416 50 20 HBGD C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1)N1CCN(C)CC1 1781089884 KLBKSBMPMYTVKT-VKJFTORMSA-N 402.923 -0.948 50 20 HBGD O=C(c1c(O)cc(O)cc1O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1781809550 QKMOIGZTRMMWCJ-DYVFJYSZSA-N 400.815 -0.153 50 20 HBGD CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)COC1 1788607835 MSTWOEQOVFXASL-RCBQFDQVSA-N 417.466 -0.685 50 20 HBGD CC(C)[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1793380931 JFELEWSFVIOBJM-YALNPMBYSA-N 406.313 -0.476 50 20 HBGD Cc1nc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnccc2C(=O)NN)C3)no1 1794332306 OWQZTNZKOHPUBO-CLLJXQQHSA-N 413.438 -0.129 50 20 HBGD N[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1ccccn1 1796191158 FQLBWRJZEGWSGX-ZMMAXQRCSA-N 408.267 -0.287 50 20 HBGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)Cn2cnnn2)[nH]n1 1822414248 OGJDWNKGXIGPGA-CYBMUJFWSA-N 418.462 -0.539 50 20 HBGD N=C(N)SCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830722684 GSYVFWAGCMHDNU-NHYWBVRUSA-N 408.908 -0.941 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1836137983 SSSAMSFXBYAALK-HZPDHXFCSA-N 420.297 -0.029 50 20 HBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 15639645 MCLXVVIANKPPHV-NEPJUHHUSA-N 423.447 -0.607 50 20 HBGD Cn1nc(SCC(=O)NN=Cc2cc3ccccc3nc2O)c(=O)n(C)c1=O 730571415 RBUJCLDWIKSNLR-UHFFFAOYSA-N 400.420 -0.025 50 20 HBGD C[C@@H]1CN(S(=O)(=O)N2CCN(CC(=O)NNC(=O)C(C)(C)C)CC2)C[C@@H](C)O1 744387151 LJAHPXKXPRNGDE-ZIAGYGMSSA-N 419.548 -0.849 50 20 HBGD CN(C)CCN1C[C@H](C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)CC1=O 746096755 MAJYSWZZHGQAHA-GFCCVEGCSA-N 400.439 -0.895 50 20 HBGD COc1cccc(-c2cc(NC(=O)C(=O)NNC(=O)[C@H]3COCCO3)n(C)n2)c1 764425349 OVFLHCHRCYAQFD-CQSZACIVSA-N 403.395 -0.403 50 20 HBGD CC[C@@H](N=c1nn[nH]n1-c1ccccc1)C(=O)NNc1nc(O)c2cnn(C)c2n1 770973274 ZHJHXNGHTSTHQZ-GFCCVEGCSA-N 409.414 -0.200 50 20 HBGD COCCn1cc(S(=O)(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)cn1 771605594 AYSLHRNAWFAJPK-UHFFFAOYSA-N 415.859 -0.191 50 20 HBGD CCCNS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)N2CCOCC2)cc1 808084571 ATKZFVPYFUMZAN-UHFFFAOYSA-N 406.486 -0.390 50 20 HBGD COc1cc(Cl)ccc1C(=O)NNC(=O)CNS(=O)(=O)c1cnn(C)c1 915637108 IPYWGBUSBRSJBN-UHFFFAOYSA-N 401.832 -0.178 50 20 HBGD Cn1c(=O)c2cc(C(=O)OCC(=O)NNC(=O)c3ccccc3)n(C)c2n(C)c1=O 920606451 PTIFSZGJNNFGKC-UHFFFAOYSA-N 413.390 -0.806 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3cncs3)CCO2)C1 1779030636 FHJUDGLFWPAGHA-GOSISDBHSA-N 416.463 -0.101 50 20 HBGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1C[C@H](O)CN1)C2 1782178650 MQJXJNBWFHBUCQ-YUYGLALOSA-N 403.907 -0.523 50 20 HBGD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)no1 1786984379 BQSXWTWAOYLVIK-ZVZYQTTQSA-N 413.239 -0.430 50 20 HBGD CC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H]3NC(=O)NC3=O)C[C@@H]21 1789858855 RKLPAVLPCAUTPD-YYHQMBLXSA-N 400.863 -0.418 50 20 HBGD CCC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@H]2C1 1790633035 MJPKGGQDCXGTBB-XUXIUFHCSA-N 417.890 -0.083 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCn3ccnn3)C[C@@H]21 1791293310 TXBQSWDZDWAXAA-JYJNAYRXSA-N 421.502 -0.979 50 20 HBGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cncn1)C2 1792868437 YGUHNVJDAIPDSH-NRWUCQMLSA-N 400.277 -0.101 50 20 HBGD Cc1cccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)n1 1793111996 QEFWRXCBWIGQJB-UPHUGPLXSA-N 423.278 -0.484 50 20 HBGD COc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c1 1795735211 PMKRQHJSMRSKBK-XEMDLRDOSA-N 424.262 -0.108 50 20 HBGD Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c(O)c1 1795736750 FFMUMUYYKSXSCN-CWPLJXCYSA-N 424.262 -0.103 50 20 HBGD C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797748460 DQZQBKVCUJPFRP-FVCICTRLSA-N 419.507 -0.193 50 20 HBGD Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)cc1O 1799468872 HXKZRXROEZTLSP-XEMDLRDOSA-N 424.262 -0.103 50 20 HBGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)CS(C)(=O)=O)C2 1800970253 AGDZTPINAHSMSO-RKQHYHRCSA-N 410.920 -0.490 50 20 HBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCOCC1)C2 1800976021 ZVDBBGBRQAKCBM-IVSAIRAKSA-N 403.907 -0.448 50 20 HBGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCNC(=O)C1 1801070650 HKLLGYLNIPWWCH-GCQYFTOKSA-N 402.289 -0.114 50 20 HBGD NC(=O)[C@H](N)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](O)CCl)CC1 1824181806 MNSSEZMWLAMZGS-QLFBSQMISA-N 402.923 -0.201 50 20 HBGD C[C@@H](NC=O)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827056261 CLWZVRFSERVJGP-DNVCBOLYSA-N 415.299 -0.266 50 20 HBGD COCCOCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1835248766 XPVIGJYBGVQTJK-XJKSGUPXSA-N 423.304 -0.111 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)n[nH]3)CCO2)C1 1835858760 JXRQFHILXOETPO-ZBEGNZNMSA-N 402.835 -0.561 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(O)[nH]3)CCO2)C1 1838071499 QNAQNQOAYTUZQX-BZNIZROVSA-N 402.835 -0.561 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)n1ccnn1)CCO2 1839711392 SWJMIGYENCIZLO-GRDNDAEWSA-N 415.878 -0.451 50 20 HBGD COCCOCC(=O)N1CC2(CCCN2C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C1 1843415747 ISLQVIRDKUCIPX-KGENOOAVSA-N 405.455 -0.013 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2cn3cccnc3n2)C1 1844040088 DFXOQKVVDCTQQE-UHFFFAOYSA-N 405.223 -0.460 50 20 HBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)CN2CCSC2=O)CC1 735117914 IZUPJSZMASFQHY-UHFFFAOYSA-N 414.513 -0.370 50 20 HBGD Cn1c(O)ncc(C(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)c1=O 751584917 FGGZYAJSNPOWMJ-UHFFFAOYSA-N 409.424 -0.736 50 20 HBGD CN(C)c1ccccc1NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 755637529 VHMJFEDMLMDTSI-UHFFFAOYSA-N 414.426 -0.647 50 20 HBGD C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OCC(=O)NNC(=O)c1ccccc1 756755032 MTMJVIFMWLWECS-LLVKDONJSA-N 409.424 -0.909 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cccn(Cc2ccccc2)c1=O 757654272 AIIDMOSDFWUBQK-LBPRGKRZSA-N 407.452 -0.013 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H](c1ccccc1F)N1CCOCC1 758039126 HPSZQCZTDHSVNB-SMDDNHRTSA-N 402.448 -0.716 50 20 HBGD CCOc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1Cl 764226990 LMFISYYREDDFOD-QMMMGPOBSA-N 406.848 -0.238 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F 795313768 IDQIZAQFOPZXBW-YFKPBYRVSA-N 418.812 -0.366 50 20 HBGD CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)=NO1 798929570 WTBDOEWFCVSZQR-NXEZZACHSA-N 419.460 -0.827 50 20 HBGD N#Cc1cccc(S(=O)(=O)NCC(=O)NNc2nccc(N3CCOCC3)n2)c1 810559708 ZQPDDWWAMHFZRA-UHFFFAOYSA-N 417.451 -0.394 50 20 HBGD CC(C)S(=O)(=O)CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 812439309 MWXFJLXLZBCBPQ-UHFFFAOYSA-N 420.513 -0.296 50 20 HBGD Cc1ccc(S(=O)(=O)NCC(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)cc1 912919858 RRUWUQAPWDAHFQ-HUUCEWRRSA-N 412.512 -0.080 50 20 HBGD C[C@H](Cn1cccn1)NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 916464778 XVYXKEZVSSYDEG-CQSZACIVSA-N 422.515 -0.071 50 20 HBGD NC(=O)[C@@H]1CCCN(c2ccc(C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)cc2)C1 1318026413 XSPCUWJHOWXQEG-KGLIPLIRSA-N 408.480 -0.416 50 20 HBGD CS(=O)(=O)CC[C@@H](C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1 1321422180 YQRWKNWTOCZMDY-ZIAGYGMSSA-N 417.509 -0.278 50 20 HBGD C[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CC[C@H](N)C(N)=O)CCO2)C1 1783533475 XFDPXXKZAHMDOO-PGUXBMHVSA-N 405.293 -0.808 50 20 HBGD COC(=O)CSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1784511045 LMOMRPGKBLPATF-CYDGBPFRSA-N 408.904 -0.528 50 20 HBGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)C3)C[C@@H]21 1791063685 PWEMUHLGTYPQAO-VLJOUNFMSA-N 402.289 -0.114 50 20 HBGD CC(C)N(C)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791293364 ZMJTVHBZABBHJM-ULQDDVLXSA-N 411.547 -0.321 50 20 HBGD CC(=O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1793215078 NXFWPWLLRTXSOZ-SCAQPMJSSA-N 402.256 -0.815 50 20 HBGD CC(=O)NC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796189874 KUIIJNYLVQDEPZ-BJWYYQGGSA-N 401.272 -0.467 50 20 HBGD CC(=O)NCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796190178 YCUHFDDOWHZDAL-BCDXTJNWSA-N 415.299 -0.220 50 20 HBGD O=C1NC(=O)[C@H](CC(=O)N2CCC3(CCCN(C(=O)[C@H](O)CCl)C3)CC2)N1 1805517548 JFEIQIIDKHKOMA-NWDGAFQWSA-N 400.863 -0.585 50 20 HBGD O=C(C1CCC(CO)CC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830726189 PAMGJOMPNAHRFY-IADFQQGMSA-N 418.918 -0.159 50 20 HBGD CN(C)C(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1835435867 VTZQQLJRGBAEBX-QMTHXVAHSA-N 410.240 -0.779 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)F)CCO2 1835484623 ALGMUTBWWOBYJA-SFHVURJKSA-N 402.467 -0.436 50 20 HBGD CN(C)C(=O)C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837711337 DXPIZHJWFGQHQI-KRWDZBQOSA-N 401.536 -0.618 50 20 HBGD CCc1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)co1 1838131512 HLTSTELHWPCFRI-DYVFJYSZSA-N 401.847 -0.093 50 20 HBGD CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)nn1C 1838271330 ABTCSWGYANOUMR-YJBOKZPZSA-N 414.890 -0.348 50 20 HBGD O=C([C@@H]1CCCS1(=O)=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1839782350 VKLSSWXYIYVNLL-HUBLWGQQSA-N 412.867 -0.446 50 20 HBGD O=C(CNS(=O)(=O)c1cccc(Br)c1)NNC(=O)C(=O)NC1CC1 726618557 FMMXTVFMSZQBNG-UHFFFAOYSA-N 419.257 -0.847 50 20 HBGD CCC1CCC2(CC1)NC(=O)N(CC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)C2=O 728385310 XGZOHOOVBYCVTG-JKGQDXBKSA-N 414.484 -0.541 50 20 HBGD O=C(NNC(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O)[C@@H]1CCS(=O)(=O)C1 730519000 SYERGRXRMSFJMJ-YPMHNXCESA-N 423.447 -0.607 50 20 HBGD CC(=O)N1CCN(C(=O)CCNC(=O)NNC(=O)c2cccc(N(C)C)c2)CC1 730827170 WTRUOFRVYHPLSV-UHFFFAOYSA-N 404.471 -0.223 50 20 HBGD COCCO[C@H](C)C(=O)NNC(=O)NCc1ccc(C(=O)N2CCN(C)CC2)cc1 748622916 XGZVGWSQFPEEEQ-OAHLLOKOSA-N 421.498 -0.044 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cc(F)cc(N2CCOCC2)c1 756281608 ZTFRDFONLADXGR-SNVBAGLBSA-N 403.436 -0.247 50 20 HBGD O=C(CO)NNC(=O)C(=O)Nc1ccc(CCn2nnc(-c3ccccc3)n2)cc1 764421553 MKKPJYDDXWNZKD-UHFFFAOYSA-N 409.406 -0.339 50 20 HBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1ccc2nnnn2c1 766640617 DRFBATFMVIIJFF-UHFFFAOYSA-N 408.422 -0.657 50 20 HBGD CN(C1CCOCC1)S(=O)(=O)N1CCN(S(=O)(=O)CBr)CC1 767852419 ZYJMONXTCFIEKU-UHFFFAOYSA-N 420.351 -0.358 50 20 HBGD CCCCCCn1cc(S(=O)(=O)NNC(=O)NCC(=O)OC)c(O)nc1=O 779847124 ULGYMACFSBCDJL-UHFFFAOYSA-N 405.433 -0.805 50 20 HBGD Cn1ccc(N2CCC[C@H](NC(=O)NNC(=O)CNC(=O)OC(C)(C)C)C2=O)n1 781419491 JVIDEXMFEHISMU-NSHDSACASA-N 409.447 -0.229 50 20 HBGD CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)NNc2ccc(F)cc2F)cn1 783340209 JURFTWQHEGUTBY-UHFFFAOYSA-N 409.397 -0.079 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCC2([S@](C)=O)CC2)c1 1116911303 QDWNTVGHDDKKPA-VWLOTQADSA-N 402.498 -0.208 50 20 HBGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)Cn2ncn3nccc3c2=O)cc1 1322752179 LHIJYYYJJHDLEW-GFCCVEGCSA-N 400.395 -0.095 50 20 HBGD CC(=O)N(C)[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2 1778098206 DHPZAWQUEINPDS-SCFUHWHPSA-N 403.907 -0.033 50 20 HBGD C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1778970336 YTCHNVXBACXIPI-LAUBAEHRSA-N 416.283 -0.617 50 20 HBGD CN(CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2)C(=O)C(=O)O 1782749527 HQAKYRFHZNUEPO-YGRLFVJLSA-N 424.223 -0.950 50 20 HBGD COc1cccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)n1 1783936854 VTZQGNFXTXBJIA-HXUWFJFHSA-N 419.482 -0.093 50 20 HBGD CC(C)[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786980241 YTFQVWFCXTXMJE-DKIMLUQUSA-N 420.340 -0.086 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cncn3)C[C@@H]21)[C@@H](F)Br 1789922645 NIJQOKHAJFEZLI-MRBYEJRBSA-N 404.240 -0.052 50 20 HBGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCN(C)CC3)C[C@@H]21 1791253915 ITKCCYMPJPDUMW-NXOAAHMSSA-N 416.950 -0.533 50 20 HBGD CCS(=O)(=O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)Br 1800757986 ZOXKVLHAOFLUQO-HNCHTBHHSA-N 411.318 -0.206 50 20 HBGD O=C(Cc1ccc(O)cn1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830738834 VLZVHEQTFQYQTA-QAPCUYQASA-N 413.858 -0.614 50 20 HBGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1836214341 ONLZHISSGLRHBJ-IUODEOHRSA-N 416.276 -0.482 50 20 HBGD CC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837715881 PMKUIOOBVIMMMS-KSSFIOAISA-N 415.563 -0.181 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1nccn1)CCO2 1839236605 IAJCVDXABYULQJ-QGZVFWFLSA-N 411.535 -0.414 50 20 HBGD CC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1 1839857474 UTJHYUPWXXJODA-LRDDRELGSA-N 420.304 -0.390 50 20 HBGD O=C([C@@H](O)CCl)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H](O)CC1)CCO2 1840269125 ONBILFQQUYAKRP-YRBFXIGRSA-N 404.891 -0.406 50 20 HBGD O=C(NCCS(=O)(=O)N1CCOCC1)NNC(=O)c1cccc([N+](=O)[O-])c1 52303487 UFJFBALMMODIMR-UHFFFAOYSA-N 401.401 -0.799 50 20 HBGD COc1ccc(OCC(=O)NNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 732466468 OHRZWQZXUKVMSA-WUKNDPDISA-N 403.395 -0.069 50 20 HBGD C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 755039032 PCIFWLLHWQIRKA-YGRLFVJLSA-N 409.424 -0.926 50 20 HBGD C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 755231971 WDAPBXADFHBEDX-CMPLNLGQSA-N 421.472 -0.247 50 20 HBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 755286939 QTSNUHBPAMOYNH-CQSZACIVSA-N 422.423 -0.139 50 20 HBGD C[C@H]1CN(CCC(=O)NNC(=O)c2ccc(=O)n(-c3cnn(C)c3)c2)C[C@@H](C)O1 761040317 DTLBQNAMDNNQCP-OKILXGFUSA-N 402.455 -0.169 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2cnn(C)c2C)cc1 763736974 NLFUXLWLSQRJJU-UHFFFAOYSA-N 422.467 -0.556 50 20 HBGD CCc1cc(O)nc(-c2cccc(NC(=O)C(=O)NNC(=O)[C@@H]3COCCO3)c2)n1 764425675 QJHOTMXAXBTZJD-AWEZNQCLSA-N 415.406 -0.087 50 20 HBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O 772143164 BSKFSCRMCVRVHT-NSHDSACASA-N 400.432 -0.445 50 20 HBGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)cn1C 784003506 HPSOIJMRVSWDOO-UHFFFAOYSA-N 407.408 -0.611 50 20 HBGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c(OC)c1 785490318 ZQRWYZLIRAJXHD-JTQLQIEISA-N 421.453 -0.839 50 20 HBGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)[C@H]2CCc3nncn3C2)c(OC)c1 793452428 YSPUKPLXLVDBIE-NSHDSACASA-N 409.424 -0.355 50 20 HBGD COc1ccc(C(=O)N2CCC[C@H]2C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1 799101400 ZQRAHTUWIHGSND-FZMZJTMJSA-N 412.468 -0.615 50 20 HBGD CCOC(=O)c1cc(COC)cc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)c1 815593175 DPHYYAKCVJLERQ-UHFFFAOYSA-N 420.422 -0.282 50 20 HBGD CCc1ccccc1OCC(=O)NNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 914830132 YZODABARATWIJG-LSDHHAIUSA-N 423.491 -0.189 50 20 HBGD CSC[C@H](C)C(=O)N1CCC(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)CC1 1321356171 DCYGFDYUBTVXDL-QWRGUYRKSA-N 408.546 -0.691 50 20 HBGD Cn1c(S)nc2cc(C(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)ccc2c1=O 1321947326 BWFOUXMTROJZCZ-VIFPVBQESA-N 411.465 -0.647 50 20 HBGD C[Si](C)(C)OCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1nccnc1C(N)=O)CCO2 1779297958 CWESKIGOASMRSS-GOSISDBHSA-N 421.530 -0.130 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3cnc(O)nc3O)CCO2)C1 1783875103 JZRMCAYXGDLECY-BDJLRTHQSA-N 400.819 -0.415 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1783981776 CREIEDQHDCDJER-YGRLFVJLSA-N 415.796 -0.251 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)COC(=O)C(F)(F)F)C[C@@H]21)[C@H](O)CCl 1784091820 DFYTXAHMSYKXLP-MMWGEVLESA-N 416.780 -0.329 50 20 HBGD Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)no1 1791293069 HZRYANMXDJAEGD-XIRDDKMYSA-N 421.498 -0.122 50 20 HBGD CC[C@@H](NC(N)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796191023 PEPMCVNPLOJGPE-QKPAOTATSA-N 402.260 -0.935 50 20 HBGD CCNC(=S)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)Br)C2 1800186911 VHAUQMALELNCMR-KQXIARHKSA-N 421.361 -0.157 50 20 HBGD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2)n1cccn1 1801388379 PJQHNABZLNMFLY-AFIMGQEJSA-N 406.487 -0.593 50 20 HBGD C[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1802112682 ULJGYDKOKDCVCQ-RDDKANTKSA-N 423.897 -0.006 50 20 HBGD CN1CCN(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Cl)C3)C2)CC1 1835403850 WACLQEZKLHOIJZ-WMZOPIPTSA-N 420.913 -0.385 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](N)CCC(N)=O)CCO2)C1 1835565802 PVFOGMNCWOQQAE-IGCXYCKISA-N 404.895 -0.947 50 20 HBGD O=C(c1ccc2nncn2c1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837011423 BJSPFAZOPQVQIH-KDOFPFPSSA-N 423.857 -0.601 50 20 HBGD Cn1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1Cl 1838305906 SWMNGJVGHQWDIT-WBMJQRKESA-N 421.281 -0.257 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)CNC3=O)C2)C1 1839142288 LLRLDUJJPLBJBP-SJKOYZFVSA-N 416.862 -0.988 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCN(C)CC3)C2)C1 1839145968 SBWUAIBTICJYQC-APWZRJJASA-N 416.950 -0.292 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CCO2 1840609713 QXGLITSLMQSDEB-KCTHJMFYSA-N 402.875 -0.411 50 20 HBGD CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841347682 BSOBREAHSXOQGM-VXGBXAGGSA-N 405.879 -0.325 50 20 HBGD CS(=O)(=O)CCCC(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 731258790 CWQBUAZUTMNPGZ-CYBMUJFWSA-N 400.409 -0.658 50 20 HBGD CN(C)S(=O)(=O)c1ccsc1C(=O)NNC(=O)CNC(=O)c1ccco1 731985442 BEBZOCIBZOWJRB-UHFFFAOYSA-N 400.438 -0.218 50 20 HBGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)[C@@H]1CCCCN1S(C)(=O)=O 734239868 YARZXYRIMFCJRA-NSHDSACASA-N 407.493 -0.344 50 20 HBGD Cn1cc(C(=O)NNC(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cn1 735513761 WHBVDICJYYVVFP-UHFFFAOYSA-N 409.447 -0.557 50 20 HBGD CCCn1nc(C(=O)NNC(=O)Cn2cc(C(=O)OC)nn2)c2ccccc2c1=O 747199857 YXDRYUKCJNCTBM-UHFFFAOYSA-N 413.394 -0.354 50 20 HBGD CCc1nc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)c2ccccn12 755619341 JWAYZHKEZVWEFH-UHFFFAOYSA-N 401.452 -0.069 50 20 HBGD CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NNC(=O)Cc1ccccc1OC 764130906 BGGBVCNNFCALAS-UHFFFAOYSA-N 403.395 -0.066 50 20 HBGD COc1ncc(NC(=O)C(=O)NNC(=O)Cn2ccc3ccccc32)cc1C(N)=O 764242585 IRVUZOJZYSPIOJ-UHFFFAOYSA-N 410.390 -0.070 50 20 HBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)C1CCN(c2ccc3nnnn3n2)CC1 771971636 BQPVZHCMVXKGMS-GFCCVEGCSA-N 418.458 -0.139 50 20 HBGD C[C@H](C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)N1CCSCC1 774991029 ZBLKZKZKKGBRSQ-DOMZBBRYSA-N 409.464 -0.046 50 20 HBGD Cc1cnn([C@@H](C)C(=O)N2CC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1 1784456315 UJUXSVBXOHYNGK-JXFKEZNVSA-N 420.514 -0.045 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccnn3C)[C@H]2C1 1786079612 PCCXPMYFDSYNOG-DZKIICNBSA-N 406.487 -0.614 50 20 HBGD Cc1nccn1CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1790653059 NSUZOQOQZUZLHS-ULQDDVLXSA-N 420.514 -0.456 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCOC3)[C@H]2C1 1791754891 AYHURJLSTAECEM-RMHZUWNSSA-N 417.466 -0.685 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@](C)(O)C(F)(F)F 1793693974 GPTRPBMTQNELCI-YHYOWMERSA-N 424.420 -0.738 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(F)cn1)C2)c1cccc(B(O)O)c1 1795737484 MBFSZKQBOPPGBS-ZSBFGKGUSA-N 413.214 -0.583 50 20 HBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Cl 1796366213 JYGRMUSZEJRPNN-XVIXHAIJSA-N 408.810 -0.395 50 20 HBGD Cc1c[nH]cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1796557659 JXBIJWUKJSSTCU-FVCICTRLSA-N 412.450 -0.161 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCOCC1)C2)[C@@H](F)Br 1799346215 JZCFZMYYPAXLLB-ZMJPVWNMSA-N 408.268 -0.401 50 20 HBGD CCNC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Br 1799350397 YRUOCKHPOPZEHH-RMPHRYRLSA-N 423.283 -0.026 50 20 HBGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H](O)CN1)C2 1800642577 QBANBPPCNAXJSS-ZFSZKFIGSA-N 404.305 -0.528 50 20 HBGD CN(C)C(=O)NCC(=O)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@@H]1c1cccnc1 1802676888 YTYMNOWRJUHBQZ-SQWLQELKSA-N 411.890 -0.042 50 20 HBGD CC(=O)NCC(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813074508 SNTQFWUGEBQLOQ-UZLBHIALSA-N 418.498 -0.404 50 20 HBGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)N(C)C)C2)C1 1830538162 XGDALFSXKCKJLZ-WBMJQRKESA-N 420.304 -0.438 50 20 HBGD CCc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)n[nH]1 1830722457 BWZDPODWVQRWIV-WMLDXEAASA-N 400.863 -0.358 50 20 HBGD O=C(c1cnc2[nH]ncc2c1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1836808828 QIFSTHASIAKOGV-RDTXWAMCSA-N 423.857 -0.372 50 20 HBGD CC(=O)N/C(C)=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839645604 OYBVLSBNCFMUJA-OPUYPNNVSA-N 403.863 -0.918 50 20 HBGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=N)N)C2)C1 1839963862 ZAMNPFUPAZCTKD-IAQYHMDHSA-N 420.308 -0.901 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)cco3)C2)C1 1840150774 QOKLIFHXELDRJA-KSSFIOAISA-N 414.842 -0.036 50 20 HBGD CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 7955888 BPIJGMPXCKDAEB-CJNGLKHVSA-N 411.480 -0.212 50 20 HBGD CCn1c(NNC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)nc2ccccc2c1=O 9857070 RLTYSMPGQUKSFW-UHFFFAOYSA-N 424.421 -0.693 50 20 HBGD O=C(CN1CCC(=O)NC1=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 731956037 HOVMVKVJKMSWRN-UHFFFAOYSA-N 423.451 -0.826 50 20 HBGD C[S@@](=O)CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 745848417 MSALQDRYOULVPS-RUZDIDTESA-N 402.498 -0.206 50 20 HBGD Cn1ncc2c(O)nc(NNC(=O)NCCNS(=O)(=O)c3cccs3)nc21 747437653 MVYPXSAVEBVLGC-UHFFFAOYSA-N 412.457 -0.265 50 20 HBGD COc1ccc(OCC(=O)NNC(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)cc1 753660498 LGKKBTAFPSKNLR-GFCCVEGCSA-N 400.457 -0.314 50 20 HBGD COc1ccc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1NS(C)(=O)=O 756783378 YNYHBNKPMMYCGR-VIFPVBQESA-N 420.469 -0.346 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1c[nH]nc1-c1ccc2c(c1)OCCO2 758050300 ATRIGQLJEAUVOG-SECBINFHSA-N 409.424 -0.453 50 20 HBGD Cc1noc(C)c1S(=O)(=O)NCC(=O)NNC(=O)COc1ccccc1F 768363284 JVLPNYMGYHGHEB-UHFFFAOYSA-N 400.388 -0.065 50 20 HBGD CC(C)[C@@H](C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1)N1CCCS1(=O)=O 773177280 BWNVNHFJMWATHY-INIZCTEOSA-N 422.463 -0.077 50 20 HBGD COCCNS(=O)(=O)c1c[nH]c(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)c1 778440947 MLVGKLORYPFMAD-UHFFFAOYSA-N 419.460 -0.775 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1cc2c(cc1F)NC(=O)CC2 784002568 SHUCOUVQMFHPTM-UHFFFAOYSA-N 417.353 -0.181 50 20 HBGD CCNC(=O)N(C)NC(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 784916503 YUECRKAJBCSNFB-OAHLLOKOSA-N 419.438 -0.668 50 20 HBGD CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)COc1ccccc1C#N 786414884 TWWGNRYTSZZZIJ-UHFFFAOYSA-N 414.378 -0.367 50 20 HBGD CCCN(CC(=O)NNC(=O)c1ccc(OC)c(OC)c1)[C@@H]1CC(=O)N(C)C1=O 801584108 AUQPBGKAVXFMFG-CYBMUJFWSA-N 406.439 -0.066 50 20 HBGD Cc1nc2ccccn2c1C(=O)NNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 914830724 SZOHSZVBGSFBEZ-STQMWFEESA-N 419.463 -0.561 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)no1)C2 1782212151 KBMYGHRNAVEMLJ-AUUYWEPGSA-N 423.470 -0.119 50 20 HBGD COC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)Br)C2)C1 1783533909 LYIUKNHIYYZKLT-PVXIVEMSSA-N 420.304 -0.249 50 20 HBGD C[C@H](Cn1cncn1)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783934647 KDIAFKYVZDHBQI-BEFAXECRSA-N 421.502 -0.883 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)[C@@H]1CC1(F)F 1788129190 IKMYAMUIVBFGBG-TUUVXOQKSA-N 408.210 -0.385 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cccnc3)C[C@@H]21 1791289406 XOCYMAMUKIZJHU-BZSNNMDCSA-N 417.510 -0.023 50 20 HBGD CN[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)Br)C2)C(=O)O 1795647452 OOTLTAQNSWDZKV-JPYZYGQNSA-N 406.277 -0.578 50 20 HBGD Cn1c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)cccc1=O 1796188276 KDCQEHPDCZOCTI-BJWYYQGGSA-N 409.251 -0.369 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CN(C)C1)C2 1796445626 GJZVNIKFMVAZBJ-OEDQRSTHSA-N 416.482 -0.728 50 20 HBGD N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c1 1798693941 IFNPWKKZMVYBLB-JLVBRIDZSA-N 408.223 -0.917 50 20 HBGD CCNC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](Cl)COC 1800977261 WIGCJEXAQMCEGN-QNSTZXKLSA-N 404.895 -0.463 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@@]1(F)Cl)C2 1801012139 HTJDCZJMLPYVGK-MDVSLZIOSA-N 404.870 -0.127 50 20 HBGD O=C(C1CC(O)C1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1830585979 MSXOKSIVHKRCGZ-RJVJFLMVSA-N 409.252 -0.096 50 20 HBGD O=C(Cn1cc(Cl)cn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830723512 OTAKRBQAAYWHJT-CZUORRHYSA-N 421.281 -0.407 50 20 HBGD COC(OC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1831039130 ZGGRVWGDARFKCH-HZMBPMFUSA-N 413.240 -0.248 50 20 HBGD Cn1ncnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1833844625 VMKMVTAMYGBXBL-IINYFYTJSA-N 420.239 -0.424 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)C3(F)CCC3)C2)C1 1835940200 YYGBPHTXVXIZRK-IBGZPJMESA-N 420.246 -0.671 50 20 HBGD Cc1[nH]ccc1C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840184385 JGADNESOKHPZCU-FQEVSTJZSA-N 421.498 -0.234 50 20 HBGD CN1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)CCBr)C3)C2)C1 1840569456 CHTPHFRCMNEVOZ-INIZCTEOSA-N 404.305 -0.211 50 20 HBGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)Cn1[nH]cc2c(=O)ncnc1-2 730512936 RWFSIFMTBJTVFA-UHFFFAOYSA-N 424.465 -0.569 50 20 HBGD CNS(=O)(=O)C1CCN(C(=O)NNC(=O)CNC(=O)c2cccs2)CC1 732245497 XIWKYNNQYBXXFV-UHFFFAOYSA-N 403.486 -0.768 50 20 HBGD CCC(CC)NC(=O)C(=O)NNC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 740852463 BHMJYHODYNJPNH-FQEVSTJZSA-N 415.450 -0.168 50 20 HBGD O=C(COc1ccccc1O)NNC(=O)NCCNS(=O)(=O)c1cccnc1 746325187 BBSCGFFINGHSHK-UHFFFAOYSA-N 409.424 -0.525 50 20 HBGD Cc1cccc(C(=O)NNC(=O)COC(=O)c2cnc3c(c2)c(O)nc(=O)n3C)c1 746908899 MTIQCJBZARASQU-UHFFFAOYSA-N 411.374 -0.039 50 20 HBGD CCOc1ccc(C(=O)N(C)C)cc1NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 756883592 TWGNXJAGPNPHHN-SNVBAGLBSA-N 415.472 -0.123 50 20 HBGD CCOCC(=O)NNC(=O)C(=O)N1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 764317038 IGMJQSMOJRFGOQ-INIZCTEOSA-N 418.450 -0.023 50 20 HBGD C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNc1ccnc(N(C)C)n1 771023230 RHZQACDNJBAHSS-SNVBAGLBSA-N 407.456 -0.548 50 20 HBGD Cc1nc(S(=O)(=O)NCCC(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)cn1C 772072600 UESKOEVLDYCLMV-NSHDSACASA-N 417.488 -0.478 50 20 HBGD COCCCNC(=O)NNS(=O)(=O)c1cc(C(=O)NCC(F)(F)F)n(C)c1 775671674 AVJBBNOMWFJPDB-UHFFFAOYSA-N 415.394 -0.154 50 20 HBGD COc1cc(F)c(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)cc1OC 784004334 LAULYZFMDGAJHX-UHFFFAOYSA-N 408.342 -0.048 50 20 HBGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)[C@@H](C)NC(=O)OC(C)(C)C 811637417 XAFUGXGHTSNUES-SECBINFHSA-N 414.488 -0.024 50 20 HBGD CS(=O)(=O)NCc1ccc(NC(=O)NNC(=O)[C@H]2CCc3nncn3C2)cc1 814640638 MVVCVHHZKBCZKA-LBPRGKRZSA-N 407.456 -0.257 50 20 HBGD O=C1C[C@H](Cc2ccc(NC(=O)NNC(=O)[C@H]3CCc4nncn4C3)cc2)C(=O)N1 814653022 PNELBIUFYWMMFT-STQMWFEESA-N 411.422 -0.101 50 20 HBGD O=C(CN1CCC[C@@H](n2cc(CO)nn2)C1)NNC(=O)c1cccc([N+](=O)[O-])c1 815142747 ZLPGWXRMPWHTRW-OAHLLOKOSA-N 403.399 -0.223 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccno3)CCO2)C1 1779028291 IPUPRDSFFQIJNL-SFHVURJKSA-N 400.395 -0.570 50 20 HBGD CNC(=S)NCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](Cl)COC)CCO2 1779042518 YLLAPKPOCYQXLD-BLLLJJGKSA-N 406.936 -0.446 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]n1 1796028220 MGLNHXFEURULAI-LVNDZITESA-N 414.426 -0.858 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccncc1 1799111808 RAOUXOQDPSBPTC-CWPLJXCYSA-N 403.483 -0.413 50 20 HBGD Cn1ncnc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1816301660 RMVUMSMCLHCSQC-HNNXBMFYSA-N 423.242 -0.162 50 20 HBGD CN(CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](O)CCl)CC2)C(=O)C(=O)O 1824667174 LWTYYXSTIVDERB-CBAPKCEASA-N 418.859 -0.802 50 20 HBGD O=C(c1coc(Cl)n1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830725220 MBURJBRSWSHADZ-ABAIWWIYSA-N 408.238 -0.002 50 20 HBGD CNC(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1831277132 YRBUQYIHGCZXJH-JSGCOSHPSA-N 410.240 -0.731 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NC(C)=O)CCO2 1831477548 HOGKWJUCIZXTID-RDTXWAMCSA-N 419.906 -0.389 50 20 HBGD CC(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1834732859 DCELQFONGADDDX-IBGZPJMESA-N 405.455 -0.589 50 20 HBGD CCOC(=O)/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](Cl)COC)CCO2 1840150619 ONKVMMXZZBQADW-BMCXSGSRSA-N 418.874 -0.184 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCNC(=O)C1)CCO2 1840233217 PSPQOLRJLQEQSL-QWQRMKEZSA-N 417.890 -0.777 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)CCS(C)(=O)=O)C2 1843417294 SAFVLGIPDQZJBZ-DEDYPNTBSA-N 423.495 -0.242 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@H](COC(C)=O)OC(C)=O)C2 1846362936 FZXWEHVDHIXBBP-KGLIPLIRSA-N 404.847 -0.062 50 20 HBGD COCCn1nc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)ccc1=O 21869489 SGPNNPCNUHOYRZ-UHFFFAOYSA-N 423.451 -0.785 50 20 HBGD COC(=O)c1ccc(F)c(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1 146200928 OMPYKMIKBVDLOU-VIFPVBQESA-N 409.417 -0.708 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)c1cnc2c(c1)c(O)nc(=O)n2C1CC1 725741153 MVYZGCQOWJBFFT-UHFFFAOYSA-N 412.362 -0.384 50 20 HBGD COCCNS(=O)(=O)c1c[nH]c(C(=O)NNc2nc3ccccc3c(=O)n2C)c1 746257764 GQFIGJWCIULCGC-UHFFFAOYSA-N 420.451 -0.057 50 20 HBGD CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNC(=O)c1cccn1C)CC2 763993372 OTPWVIRFFWHPSQ-UHFFFAOYSA-N 419.463 -0.326 50 20 HBGD CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNc1nccc(OC)n1)CC2 773730957 PEFKQXLLLSUOJC-UHFFFAOYSA-N 420.451 -0.184 50 20 HBGD COc1ccc(OC)c(C2=NO[C@@H](C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)C2)c1 791476550 GMLIKFIQXXKVEP-MEBBXXQBSA-N 411.436 -0.221 50 20 HBGD COc1cc(C(=O)NN=Cc2c(N(C)C)n(C)c(=O)n(C)c2=O)cc(OC)c1OC 807945116 DAISLNHGZNWLNG-UHFFFAOYSA-N 419.438 -0.060 50 20 HBGD Cc1cc(S(N)(=O)=O)cc(NC(=O)NNC(=O)[C@@H]2CCc3nncn3C2)c1C 814641475 HBAMNAPWLCXLHU-LLVKDONJSA-N 407.456 -0.042 50 20 HBGD O=C(CSc1nnnn1C1CCCC1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919889992 XXLYBPKCBFDQID-VIFPVBQESA-N 403.490 -0.602 50 20 HBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cccnc1I 1320257861 FYFFISHQOTXQJL-SSDOTTSWSA-N 409.205 -0.118 50 20 HBGD O=C(CNC(=O)NNC(=O)C1CCN(c2ncccn2)CC1)NCC(F)(F)F 1338563117 UNCPPYWBHCZLCB-UHFFFAOYSA-N 403.365 -0.298 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)c3nc4ncccn4n3)C2)C1 1777833634 UAMLXLNHLXWLLV-PXAZEXFGSA-N 408.846 -0.178 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(O)nc3)C2)C1 1780259037 VIOSRHNVBKWPQN-LJQANCHMSA-N 405.455 -0.396 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1C=CCN1)C2 1782212144 XTEKVCNGDUMWJK-RZQQEMMASA-N 407.515 -0.599 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)no3)C[C@@H]21 1791290991 GOQKPDDPAOQVPM-OBJOEFQTSA-N 409.443 -0.654 50 20 HBGD CC(C)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(CCO)CCO)C2 1792785594 JWAVWETXWUJSCA-MIFYACCESA-N 405.923 -0.872 50 20 HBGD Cc1cc(NC(=O)CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)no1 1796418454 WLBBKUDVTMXUNT-BUWBCJGYSA-N 414.846 -0.499 50 20 HBGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ncon1)CC2)c1ccc(B(O)O)cc1 1815344077 GMZBSZHLSSMCJV-NSHDSACASA-N 413.224 -0.255 50 20 HBGD O=C(CN1C(=O)CNC1=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](O)CCl)[nH]n1 1815595814 ZQFTWIONKIKWAC-MNOVXSKESA-N 412.834 -0.447 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1835638105 ZPBZBZWRNFDFHS-DYVFJYSZSA-N 401.895 -0.700 50 20 HBGD O=C(CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835929611 YLZICPBXFHEART-HXUWFJFHSA-N 402.256 -0.764 50 20 HBGD O=C(/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1)NC1CC1 1837250897 SVSSSBPZNQJPIH-AAAUKVELSA-N 403.838 -0.188 50 20 HBGD CN(C)CC(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837686601 VXEMNFMZFJMPNP-UHFFFAOYSA-N 417.315 -0.460 50 20 HBGD CN1CCC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)C1 1839062394 AGPWSNDWLNIPLK-MPGHIAIKSA-N 403.907 -0.616 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1839149043 RFNVQQSTJWPBIO-RDTXWAMCSA-N 418.922 -0.167 50 20 HBGD C/C=C(\C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839818852 LAZVNBMYHWMGFX-IAILITGJSA-N 402.256 -0.597 50 20 HBGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cncn3)C2)C1 1840032381 WZZYCXXFKXMKJJ-DOMZBBRYSA-N 416.276 -0.482 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)no3)C2)C1 1840153472 PMILDSHVADLAJZ-ZBEGNZNMSA-N 403.819 -0.296 50 20 HBGD Cc1nnc(CC(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)s1 1843061594 RPOKACXZUYFMJF-UHFFFAOYSA-N 400.269 -0.414 50 20 HBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2cnn3cccnc23)CC1 735117502 VCNDRNCWVZHFPP-UHFFFAOYSA-N 416.467 -0.183 50 20 HBGD O=C(CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)COCc1ccccc1 742694750 NSZWYPUHTQNTLV-DTDBQYNISA-N 401.419 -0.097 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cccc(N2CCCS2(=O)=O)c1 755889771 LNJOYZQJAAYUAQ-SNVBAGLBSA-N 419.485 -0.683 50 20 HBGD CC(C)Oc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1C#N 764225569 AHUZRXXESNEONV-JTQLQIEISA-N 411.440 -0.631 50 20 HBGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cn1 770234127 ZIPJVTASPRTAFA-UHFFFAOYSA-N 419.467 -0.543 50 20 HBGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1OC 802722006 NKGZUBULHZISSP-UHFFFAOYSA-N 421.497 -0.287 50 20 HBGD CN1CCN(C(=O)NNC(=O)CN2C(=O)c3ccccc3N3C(=O)CC[C@]23C)CC1 807380620 KWDIXKZYEVCHQP-HXUWFJFHSA-N 414.466 -0.026 50 20 HBGD Cn1nnc2c1C[C@@H](C(=O)OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)CC2 811346587 WKIZYCADXXHMCS-NSHDSACASA-N 402.367 -0.167 50 20 HBGD O=C1COC[C@H](C[C@@H]2CN(C(=O)C(=O)NNC(=O)[C@H]3CCCO3)c3ccccc32)N1 815780505 ZOOGABASRWIMBM-DVOMOZLQSA-N 416.434 -0.652 50 20 HBGD CC(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 1325692007 PFWBADRGAKNQAI-GFCCVEGCSA-N 403.482 0.000 50 20 HBGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1 1778942448 GSRYZYAZSOCTRF-MEBBXXQBSA-N 401.261 -0.134 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]n1)C2 1796440556 QVFJSWULWDHSME-LVNDZITESA-N 414.426 -0.858 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncc[nH]1)C2 1796441288 UTONQSCMKIYYTF-UDQUNYCESA-N 413.438 -0.253 50 20 HBGD O=C(CN1C(=O)CNC1=O)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@H]1c1cccnc1 1804087562 HCSNIYQPINJNRK-XEZPLFJOSA-N 423.857 -0.761 50 20 HBGD CN[C@H](CC(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1)C(=O)O 1807195229 CAEMBNCSHRFRDN-KNCOVGOOSA-N 412.874 -0.250 50 20 HBGD CNC(=O)CC(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815335645 ITRWPAZYMBHNQG-GFCCVEGCSA-N 416.268 -0.815 50 20 HBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)Cn2ccnn2)[nH]n1)c1cccc(B(O)O)c1 1817474268 BUBNPEWSTWWSIL-INIZCTEOSA-N 423.242 -0.313 50 20 HBGD Cc1noc(N)c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830722627 GLPXJWULPZRSET-ZBEGNZNMSA-N 402.835 -0.765 50 20 HBGD O=C(c1cnccc1F)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830723127 LKRVEWLTDNPZQM-WMLDXEAASA-N 401.822 -0.110 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN(C)C(C)=O)CCO2)C1 1832297936 WPFONZOQTOHRKQ-MAUKXSAKSA-N 419.906 -0.435 50 20 HBGD C[C@@H](CBr)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)CN)CC2)CC1 1835064917 ZVGAAMQOVPALCU-WFASDCNBSA-N 418.380 -0.125 50 20 HBGD O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1838825021 DTVTVLYAGPQVPJ-BLLLJJGKSA-N 416.818 -0.407 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC(=O)NC3)C2)C1 1839141804 SYBPTOGIQRTTNP-DEYYWGMASA-N 401.891 -0.014 50 20 HBGD CC(=O)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1839885653 JHIGEPQGXCWIDF-HIFRSBDPSA-N 424.267 -0.341 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@H]3C3CC3)C2)C1 1840182691 PWRKDLZXTRNEIJ-LLGFUMIMSA-N 422.526 -0.138 50 20 HBGD COCCOCCOCCOCC(=O)N1CCCC12CN(C(=O)[C@@H](O)CCl)C2 1846256018 JRVRFZYCVDYJPB-HNNXBMFYSA-N 422.906 -0.514 50 20 HBGD Cc1nc(S(=O)(=O)NCC(=O)NNC(=O)c2cc(-c3ccccc3)[nH]n2)cn1C 725879869 PHJCOJQDXPSEFK-UHFFFAOYSA-N 417.451 -0.142 50 20 HBGD O=C(Cn1cnc2ccc(Br)cc2c1=O)NNC(=O)C(=O)N1CCCC1 748238877 BAXHMRCCLOODAJ-UHFFFAOYSA-N 422.239 -0.071 50 20 HBGD O=C(NCCC(=O)N1CCN(c2ccccn2)CC1)NNC(=O)C(=O)N1CCCC1 748464570 FNGXBBANVOSOGX-UHFFFAOYSA-N 417.470 -0.927 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2cnn(C(C)(C)C)c2)n(C)c1=O 756796521 XRSRSSKEZUIUKN-UHFFFAOYSA-N 417.430 -0.762 50 20 HBGD COc1ncnc(N(C)C)c1NC(=O)C(=O)NNC(=O)c1ccc2c(c1)OCO2 763548846 UNHCFRNYOGJWNT-UHFFFAOYSA-N 402.367 -0.320 50 20 HBGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)[C@@H]2CCc3nncn3C2)c(OC)c1 793452427 YSPUKPLXLVDBIE-LLVKDONJSA-N 409.424 -0.355 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cc2c(cc1Cl)CCC2=O 800836383 ROQAGRZFPCTRJW-ZETCQYMHSA-N 409.873 -0.284 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(Oc2cccnc2)cc1 808935493 ZAUMXZCTOYJCAY-NSHDSACASA-N 421.435 -0.103 50 20 HBGD O=C(NNC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1)c1ccc(-n2cnnn2)cc1 917925307 IXLSUKXMFFLKII-CQSZACIVSA-N 406.406 -0.133 50 20 HBGD COC(=O)c1cc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)n(-c2ccccc2)n1 1322452758 OQRICZMXLCEEQD-NSHDSACASA-N 406.420 -0.145 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](N)CCC(N)=O)CCO2)C1 1781227594 NECIQJFJGUOOLS-KNXALSJPSA-N 409.314 -0.355 50 20 HBGD CN[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1)C(=O)O 1781331460 QNCZKQQZMWSBTJ-PUYPPJJSSA-N 410.240 -0.431 50 20 HBGD Cc1nocc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1786133974 BMWCNDPVZBRHHL-ZVZYQTTQSA-N 413.239 -0.430 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)c1cn2ncccc2n1 1788015310 CHLUHUXNPRORCL-JURCDPSOSA-N 407.858 -0.078 50 20 HBGD CCN(C)[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791293791 JQBPXKJFHPZIPP-QAETUUGQSA-N 411.547 -0.321 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H]1NC(=O)NC1=O 1793942544 ADBJAUDNLOAMPI-GQNZOVQCSA-N 421.281 -0.590 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(C)(=O)=O 1795360661 LUJNKFZUPAMJAW-IQOUGMIPSA-N 401.312 -0.143 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)c1ccc2c(n1)OCCO2 1796280146 JSABKPUXBSOMCX-NDPMZMCLSA-N 411.842 -0.344 50 20 HBGD CCOC(=O)N[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2 1797586258 QQXMNTOWKJERTC-QPPBUOOMSA-N 422.276 -0.575 50 20 HBGD C[C@@H](Cn1cncn1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1798575758 MAHSYTNDYYFYIJ-RUGDWHBFSA-N 411.271 -0.454 50 20 HBGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](O)CCl)CC2)c1ccc(B(O)O)cc1 1815335495 ATYCMAOCPQLKEO-AAEUAGOBSA-N 423.687 -0.352 50 20 HBGD O=C(CC1CC1)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1835216129 BUUZGNXSRBAIKN-HXUWFJFHSA-N 402.256 -0.764 50 20 HBGD C[C@@H]1C[C@]1(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839086716 FMLPDZRQTDODCE-NQERJWCQSA-N 416.283 -0.518 50 20 HBGD C[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CNC(=O)C1)CCO2 1839871371 GZTSMEMJXXIOKD-OZVIIMIRSA-N 418.288 -0.638 50 20 HBGD Cc1csc(CC(=O)NNC(=O)COC(=O)COc2ccc(C(N)=O)cc2)n1 728731673 VJGLWEWEKTZCLY-UHFFFAOYSA-N 406.420 -0.137 50 20 HBGD CC(C)(CNC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O)NS(C)(=O)=O 731687147 YUIHYDUCWLIYIJ-UHFFFAOYSA-N 410.456 -0.150 50 20 HBGD Cc1csc(CC(=O)NNC(=O)CN2CCc3ccc(S(N)(=O)=O)cc32)n1 744401449 ADJHZPKESOIAGY-UHFFFAOYSA-N 409.493 -0.148 50 20 HBGD CS(=O)(=O)c1nc(C(=O)NNC(=O)CNC(=O)c2ccco2)c2ccccn12 751202332 CAGDCYLVNIROCR-UHFFFAOYSA-N 405.392 -0.478 50 20 HBGD Cc1nn(C)c(C)c1C(=O)C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 753617637 UVKJFQWVQCHNJE-AWEZNQCLSA-N 416.390 -0.250 50 20 HBGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)cc1-n1cnnn1 764168196 OEAJACUBTCUYGS-MRXNPFEDSA-N 423.389 -0.240 50 20 HBGD CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 765071463 YVUPJIGNWALBFK-NEPJUHHUSA-N 420.488 -0.470 50 20 HBGD Cc1nn2c(C=NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)c(C)nc2s1 765583982 NCZWXOVLHGREQY-UHFFFAOYSA-N 415.439 -0.695 50 20 HBGD Cc1cccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)n1 794080054 KLNWGLQPQWVHRG-UHFFFAOYSA-N 417.447 -0.415 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C[C@@H]1COCCN1C(=O)OC(C)(C)C 806787567 JTVBORXQGZNMML-GHMZBOCLSA-N 408.477 -0.903 50 20 HBGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 815691667 XLAQPWYNGSINCI-QMMMGPOBSA-N 408.321 -0.052 50 20 HBGD O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)c1cncn1-c1ccccc1 1116132391 GAVWXZOXTSPCGI-JHNDHUHGSA-N 409.402 -0.204 50 20 HBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)Cc1nc2ncccn2n1 1317925119 MIEZOSXJHMVTDR-UHFFFAOYSA-N 402.440 -0.270 50 20 HBGD O=C(COC(=O)C(F)(F)F)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1778891454 GFHNZUGDGCXEDO-RNCFNFMXSA-N 402.753 -0.479 50 20 HBGD C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1778969222 GJOYOOHMDOKHPA-UTKZUKDTSA-N 416.283 -0.617 50 20 HBGD CN(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)CCl)[C@H]2C1)C(=O)C(=O)O 1783852579 CJMHXVASWQYCJR-AVGNSLFASA-N 417.890 -0.226 50 20 HBGD C[C@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21 1783965202 ATJNYQKEZVYTQW-VOAKCMCISA-N 415.292 -0.316 50 20 HBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnco3)C[C@@H]21 1788611727 WCQGXXCYFPQULC-CQDKDKBSSA-N 414.422 -0.420 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCn3cncn3)[C@H]2C1 1791523149 UZNBSHAOZSFTIL-JYJNAYRXSA-N 421.502 -0.979 50 20 HBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn(C)nc1OC 1794582901 RQYCDCMCRYBWHE-ZMJPVWNMSA-N 400.863 -0.114 50 20 HBGD CC(C)O[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795740303 PUFNUWBXDJNGPD-SCNOPHJPSA-N 404.272 -0.617 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)[C@@H]1CCCS1(=O)=O 1796193251 XYGAWKQHCXBZLW-YVSFHVDLSA-N 420.296 -0.805 50 20 HBGD COCCn1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](Cl)COC)C3)n1 1796599717 SGSRFJIOMYWMMY-HLPPOEQASA-N 414.890 -0.014 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnn2cccnc12)c1ccc(B(O)O)cc1 1798018234 JLTGFNJACYILEY-BJWYYQGGSA-N 419.250 -0.025 50 20 HBGD C[C@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@@H](N)C(N)=O)C2 1799274816 IGDMBLPXYGEFQM-QIJJUMSOSA-N 409.314 -0.595 50 20 HBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)Cc1cscn1)C2 1800975129 JPSGQDIOBRWBHG-HZZBMVKVSA-N 416.931 -0.144 50 20 HBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCS1(=O)=O)C2 1800979588 QCUMUGKNVWDGGP-NDKCEZKHSA-N 408.904 -0.593 50 20 HBGD C[C@](O)(CC(=O)O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2 1801004422 DMFHAAZWTNHXIX-OXUXUCFPSA-N 421.288 -0.023 50 20 HBGD CN1CCN(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Cl)C3)C2)CC1 1835403846 WACLQEZKLHOIJZ-FUHWJXTLSA-N 420.913 -0.385 50 20 HBGD CCOC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1837206751 PVNBPGZHTFHIHI-UEKVPHQBSA-N 411.814 -0.958 50 20 HBGD O=C(c1cc(Cl)ncn1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1838254897 YUSJOPCFFJODFQ-WBMJQRKESA-N 419.265 -0.200 50 20 HBGD C/C=C/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCC(=O)NN(C)C)CCO2 1840185540 RVQBJIJQCCXDCX-YTNPLVHFSA-N 408.499 -0.052 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2ccc3ncnn3c2)C1 1844139386 VRVHLPYCQPFPIK-UHFFFAOYSA-N 405.223 -0.460 50 20 HBGD CC(=O)c1cc(C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)n[nH]1 1844263750 PVPORPDJGZIMEY-UHFFFAOYSA-N 411.422 -0.258 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)NC[C@]1(N2CCOCC2)CCSC1 726235996 AVHDMYMTCNCSTD-QGZVFWFLSA-N 411.484 -0.452 50 20 HBGD CC(=O)N1CCN(c2ccccc2CNC(=O)NNC(=O)C(=O)N2CCCC2)CC1 726273175 YFWKLCIETOUGSC-UHFFFAOYSA-N 416.482 -0.192 50 20 HBGD CCN(CC)CC(=O)N1CCN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1 728930417 QWQNXGPLCKICMQ-UHFFFAOYSA-N 420.470 -0.158 50 20 HBGD C[C@@H]1CN(CC(=O)NNC(=O)C(C)(C)C)CCN1CC(=O)NNC(=O)C(C)(C)C 744387173 MFSIVNJNADXZEL-CYBMUJFWSA-N 412.535 -0.621 50 20 HBGD CN(C)S(=O)(=O)c1c[nH]c(C(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)c1 744718530 HCQJIKDRUQTDNM-UHFFFAOYSA-N 419.419 -0.245 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C[C@H]1CSCCN1C(=O)OC(C)(C)C 758043617 IQWCDQZYHNHEBO-QWRGUYRKSA-N 424.545 -0.186 50 20 HBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)n[nH]1 763118441 DOIBDJHIFPQIRV-JHJVBQTASA-N 411.484 -0.411 50 20 HBGD CN(C)c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1Cl 763999281 UZSUDDOQAKXUDI-VIFPVBQESA-N 402.860 -0.073 50 20 HBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2)c1cc(O)nc(O)n1 1778014909 HEFBOKVNBSJKPV-XWCIJXRUSA-N 414.846 -0.385 50 20 HBGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCNC3=N)[C@H]2C1 1786844968 BKCIDCXBYQOSTE-CYDGBPFRSA-N 416.320 -0.411 50 20 HBGD C[C@H](NC(=O)c1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792984220 ZRSCDTQGXNBIHD-RDDKANTKSA-N 423.897 -0.006 50 20 HBGD COc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c1 1795739706 DKJXMPCYMICXPU-XEMDLRDOSA-N 424.262 -0.108 50 20 HBGD COC[C@@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)n2[nH]cnc2n1 1796186741 XVNGCYPEFCHNJE-WRWGMCAJSA-N 408.846 -0.077 50 20 HBGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(O)nc1O 1796347748 RRDDYKALCSQPGG-CKEKPRIKSA-N 415.244 -0.126 50 20 HBGD Cc1nc(N)sc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801012880 ABRMWOZLGNANIT-JJLQDPRZSA-N 424.527 -0.390 50 20 HBGD O=C(CN1C(=O)C=CC1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2 1801119704 KWMGRDJUCSGHPI-WAYYCVMKSA-N 418.219 -0.809 50 20 HBGD C[C@H](CN)C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807012717 YDLUSEHTUSFTGC-LSBZLQRGSA-N 410.283 -0.324 50 20 HBGD CCS(=O)(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1831345113 FXTKETOEASDHNR-CQSZACIVSA-N 417.311 -0.319 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CNC(=O)O3)CCO2)C1 1831573237 ACDBKLBYBFMEBZ-UVBJJODRSA-N 424.281 -0.213 50 20 HBGD CS(=O)(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1835260778 AHXKMOYKUBCLKO-ZDUSSCGKSA-N 403.284 -0.709 50 20 HBGD C/C=C(\C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939918 NVBOJGIVAZKTRS-IAILITGJSA-N 402.256 -0.597 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H]3C3CC3)C2)C1 1840182689 PWRKDLZXTRNEIJ-CSODHUTKSA-N 422.526 -0.138 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)CCC(=O)N1CCCC1)C2 1846384132 IKRHEJGKKJSBLO-UHFFFAOYSA-N 407.515 -0.035 50 20 HBGD Cc1ccc(NCC(=O)NNC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)cc1 728204562 WUMZZSAMBMPLQJ-UHFFFAOYSA-N 408.484 -0.035 50 20 HBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)[C@@H](C)C#N)c(=O)n2Cc1ccccc1 733890620 HDFKRVNQXWICKZ-ZDUSSCGKSA-N 423.433 -0.265 50 20 HBGD C[C@H](C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 746090690 LSIZTDJYOGEXHD-LXOGICJWSA-N 402.363 -0.093 50 20 HBGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 760440508 ZIEWLMQQIZSMOW-FIXIBIHLSA-N 424.454 -0.399 50 20 HBGD CO[C@@]1(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CCOC1 764811678 VGOMUQRBVAYWSJ-MRXNPFEDSA-N 400.457 -0.314 50 20 HBGD Cn1c(=O)c2ccc(C(=O)NNC(=O)CSc3ccccc3O)nc2n(C)c1=O 765249576 UOGCDHZQYZZDLQ-UHFFFAOYSA-N 415.431 -0.109 50 20 HBGD Cn1nc(-c2cc(F)cc(F)c2)cc1NC(=O)C(=O)NNC(=O)[C@@H]1COCCO1 773555053 VRWPCSXSRXWYDF-ZDUSSCGKSA-N 409.349 -0.133 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)COC(F)F)CC2)cc1 802762489 IHTCHDLWPIKDGU-UHFFFAOYSA-N 420.438 -0.312 50 20 HBGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)N1CCN(c2ccccc2)CC1 812493060 VKSGMXRFVOPWSA-UHFFFAOYSA-N 415.475 -0.026 50 20 HBGD COc1cc(OCC(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-] 921030226 LWOVWXNENWNRSW-SECBINFHSA-N 402.385 -0.500 50 20 HBGD O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NNC(=O)c1nnc(O)c2ccccc12 934900408 BEYYHTKVLYSJSU-NBLIUIFLSA-N 407.386 -0.097 50 20 HBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc(F)c1F 1319060937 PUDHEAFRCUROJG-SSDOTTSWSA-N 412.392 -0.504 50 20 HBGD Cn1cccc1C(=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1322757359 MWDLEKYUBYZMQW-UHFFFAOYSA-N 420.447 -0.310 50 20 HBGD Cc1nc(C(=O)NNC(=O)N2CCN(C)CC2)nn1-c1n[nH]c(C(F)(F)F)n1 1327205450 MYAKVDZTNUSSCH-UHFFFAOYSA-N 402.341 -0.686 50 20 HBGD CCOC(=O)N[C@@H](O)C(=O)N1CC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1778785957 POMPPTAKPGJMSC-YOEHRIQHSA-N 417.535 -0.268 50 20 HBGD N=C(N)NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](F)Br)C1 1780771580 MEWUHXQMTVQFLU-OLUVUFQESA-N 408.272 -0.326 50 20 HBGD CC(C)(C)OC(=O)NCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1783395452 PVEMTGXJMXZBSL-SJCJKPOMSA-N 405.879 -0.059 50 20 HBGD CN[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)Br)C2)C1)C(=O)O 1783531931 AHQIJHZMJWWJNX-RWSFTLGLSA-N 406.277 -0.338 50 20 HBGD Cc1nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)co1 1786054261 GMTYNNILWKIEDW-ZVZYQTTQSA-N 413.239 -0.430 50 20 HBGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCN(C)CC3)C[C@@H]21 1791253924 ITKCCYMPJPDUMW-QAETUUGQSA-N 416.950 -0.533 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3c(c1)CCNCC3)C2)[C@H](O)CCl 1792983168 BMCANWFXEFIAQJ-CYGHRXIMSA-N 422.913 -0.427 50 20 HBGD Cn1c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)cccc1=O 1796190837 RBTGBTWVQISGLV-BJWYYQGGSA-N 409.251 -0.369 50 20 HBGD COCCn1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)n1 1796593533 UFVHZDMXQDKECA-NEBZKDRISA-N 400.863 -0.668 50 20 HBGD C[Si](C)(C)OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccnc1C(N)=O)C2 1797957276 DMOOQNLAAABEJZ-DABQJJPHSA-N 421.530 -0.370 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CNC(=O)C1)C2 1798443017 MXXWBGLXDVAUHH-RVMXOQNASA-N 400.439 -0.927 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c[nH]c(=O)cn1)C2)[C@@H](F)Br 1799348362 HFROMHLIVHELMO-IWXIMVSXSA-N 403.208 -0.336 50 20 HBGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)n1)C2 1800756714 CYJBHFFBEUPNJP-UOKLYIGXSA-N 415.244 -0.126 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CSc1nc[nH]n1 1802868098 RDAOYEUDVCZCLY-CLLJXQQHSA-N 409.516 -0.092 50 20 HBGD O=C(C[C@@H]1NC(=O)NC1=O)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@@H]1c1cccnc1 1804341229 IMGYTIIWUFLCKR-RMRHIDDWSA-N 423.857 -0.715 50 20 HBGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@H](O)CCl)CC2)c1ccc(B(O)O)cc1 1815335496 ATYCMAOCPQLKEO-DGCLKSJQSA-N 423.687 -0.352 50 20 HBGD C[C@@H](NC=O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817472377 GGLXXKAEJHUCBG-WBMJQRKESA-N 413.243 -0.470 50 20 HBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1CNC(=O)C1)CC2 1826089831 PUNVGOJVQMDGJK-MNOVXSKESA-N 422.511 -0.436 50 20 HBGD CN1CCC(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)CC1 1829996367 OUQJGVXWNDQLCR-APWZRJJASA-N 417.934 -0.226 50 20 HBGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830726097 ULPHLYURVRIYFC-SMDDNHRTSA-N 413.696 -0.173 50 20 HBGD O=C(C1CCC(CO)CC1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830726187 PAMGJOMPNAHRFY-GETDIDHLSA-N 418.918 -0.159 50 20 HBGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1)n1cccn1 1830736913 BWRVMGGBQZBYJV-JKIFEVAISA-N 400.863 -0.500 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCOCC3)CCO2)C1 1835397599 UHHICTBMNCRIKF-YJBOKZPZSA-N 419.906 -0.971 50 20 HBGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)N(C)C)CCO2)C1 1835426998 QJIHDYLOAQKGRF-MLGOLLRUSA-N 420.304 -0.438 50 20 HBGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](N)CCC(N)=O)CCO2)C1 1835565800 PVFOGMNCWOQQAE-DCGLDWPTSA-N 404.895 -0.947 50 20 HBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1837367149 PXJBHPXIMQNKBQ-BONVTDFDSA-N 417.260 -0.898 50 20 HBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CNC(=O)C1)CCO2 1839871370 GZTSMEMJXXIOKD-MQIPJXDCSA-N 418.288 -0.638 50 20 HBGD O=C(CNC(=O)NCc1ccc(Cl)cc1)NNC(=O)[C@H]1CCS(=O)(=O)C1 727367773 ZWFAGTFKRNOKEH-NSHDSACASA-N 402.860 -0.279 50 20 HBGD CN(CC(=O)NNC(=O)C1CCN(c2ncccn2)CC1)c1ncnc2[nH]cnc12 728889832 GEJSKADJBGGXBH-UHFFFAOYSA-N 410.442 -0.357 50 20 HBGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)CN1C(=O)NC2(CCCC2)C1=O 734240892 WGFITFOLHXURKY-UHFFFAOYSA-N 412.447 -0.294 50 20 HBGD Cn1c(NNC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)nc2ccccc2c1=O 742672573 MNIHTKYCJQFIST-XOUADPBQSA-N 411.418 -0.071 50 20 HBGD CC(C)[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)NNC(=O)CO 753443237 VYKKVOWYWMJKBK-LBPRGKRZSA-N 408.274 -0.108 50 20 HBGD C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNC(=O)Cn1ccc2ccccc21 755329332 UAFUPTGNSIQKIT-LBPRGKRZSA-N 404.452 -0.111 50 20 HBGD CN(c1ccccc1NC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)S(C)(=O)=O 757660714 IFNSQTNMWDEOKU-SNVBAGLBSA-N 404.470 -0.330 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 764226352 HXRAKERVANALNJ-SSDOTTSWSA-N 421.357 -0.399 50 20 HBGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1ccc(=O)n(-c2ccccc2F)n1 766227298 QCYJIDSUDNPFMI-UHFFFAOYSA-N 410.365 -0.042 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1 801109582 UTMRQKOILWJSAX-GXTWGEPZSA-N 422.463 -0.883 50 20 HBGD COC(=O)COCC(=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 807093029 HMFFRJQVQCCMKH-UHFFFAOYSA-N 412.874 -0.205 50 20 HBGD CCn1nc(C(=O)NN=Cc2nc3c(c(O)nc(=O)n3C)n2C)c2ccccc2c1=O 920365793 HCMJATBKVMYLCH-UHFFFAOYSA-N 422.405 -0.134 50 20 HBGD CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)O1 1320618077 MOSCOCUNSDCFMW-RISCZKNCSA-N 416.438 -0.487 50 20 HBGD Cc1nc2n(n1)C[C@@H](NC(=O)NNC(=O)c1csc(N3CCOCC3)n1)CC2 1321452752 YLJOOVRUTYGBAU-NSHDSACASA-N 406.472 -0.161 50 20 HBGD COCC1(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)CC1 1779029504 SXBSZZGHMRQDHX-FQEVSTJZSA-N 417.466 -0.445 50 20 HBGD C[Si](C)(C)OCC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1C(=O)CNC1=O)CCO2 1779294385 PUAQECOPDZSVIO-QGZVFWFLSA-N 412.519 -0.780 50 20 HBGD CN(CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](F)Cl)C2)C(=O)C(=O)O 1781541766 NWNAXSITKANXLR-NSODJVPESA-N 407.826 -0.422 50 20 HBGD CN(C)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782210725 FIPGIGNLJRDTKI-OXQOHEQNSA-N 411.547 -0.175 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)C3=NN(C)C(=O)CC3)CCO2)C1 1783870348 AZDOECSEQFWPTG-YVEFUNNKSA-N 400.863 -0.322 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(Cl)nn1)CCO2 1783934503 HTJMBSTYNIXAHP-SFHVURJKSA-N 424.889 -0.054 50 20 HBGD CNC(=S)NCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784092646 OQIRMKINYOTJPM-RVMXOQNASA-N 406.936 -0.950 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccn3)C[C@@H]21)c1cccc(B(O)O)c1 1786984704 ZNHSKAFEUQLQDT-ZVZYQTTQSA-N 410.239 -0.937 50 20 HBGD CC(C)[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788607810 KEBUFMYDEGHTIO-OSMBCOQSSA-N 419.482 -0.705 50 20 HBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Cl)C[C@@H]21 1788610136 FPUKVUIQPXEWKH-HBEIAFGSSA-N 413.837 -0.187 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nccn3C)C[C@@H]21 1791288729 QSVDUYLQHFINIF-KKUMJFAQSA-N 406.487 -0.614 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(CCO)CCO)C[C@@H]21)C(Cl)Cl 1791296577 ZCHCXSJEINECMI-AVGNSLFASA-N 412.314 -0.944 50 20 HBGD O=C(C[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1793767501 WOTDUUUGEJVMAU-WQDJSCAQSA-N 416.283 -0.471 50 20 HBGD Nc1n[nH]c(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCBr)n1 1795115972 YAWZHOXEEOXRNQ-WDAIWFPHSA-N 415.292 -0.306 50 20 HBGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)n1 1796358575 YWQGDHJJLMRMKO-KZFFXBSXSA-N 415.244 -0.126 50 20 HBGD CN1CCC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)CC1 1801009223 SNWSDAYTBLKBRT-HGKCTWBKSA-N 409.531 -0.709 50 20 HBGD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@@H]1c1cccnc1)n1cnnn1 1813469737 KHPNMRUKXSFITD-FAAHXZRKSA-N 407.862 -0.065 50 20 HBGD C[C@H](NC=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1822888911 OANJDLJTKKPNLJ-GWCFXTLKSA-N 416.268 -0.817 50 20 HBGD O=C(c1cncc(F)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830724044 CKSLPDSPJUFLTI-RHSMWYFYSA-N 401.822 -0.110 50 20 HBGD CN1CCCC[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1830752083 NMNJSHFZCQRKQY-RVKKMQEKSA-N 403.907 -0.473 50 20 HBGD CN1N=C(C(=O)N2CCO[C@]3(COCCN(C(=O)C(Cl)Cl)C3)C2)CCC1=O 1832379738 BOCHEXPWXWSXMB-MRXNPFEDSA-N 421.281 -0.145 50 20 HBGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)nn1C 1834115152 JWVNNOQSRZFZDZ-YOEHRIQHSA-N 400.863 -0.602 50 20 HBGD Cn1ncnc1C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837712496 VRRJVWSTDBZQND-KRWDZBQOSA-N 411.535 -0.263 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)CCN1CCOC1=O)C2 1844264303 DYUZKPVOFGFVPB-UHFFFAOYSA-N 416.438 -0.656 50 20 HBGD C[C@H](Nc1cnccn1)C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1844279076 IMNHONMKYKHIMN-ZDUSSCGKSA-N 424.465 -0.207 50 20 HBGD O=C(COC(=O)CN1CCCCCC1=O)NNC(=O)[C@@H]1COc2ccccc2O1 5538702 OYAUGQCYFFQJLR-HNNXBMFYSA-N 405.407 -0.080 50 20 HBGD NC(=O)c1cccnc1N1CCN(CC(=O)NNC(=O)c2ccc(F)cc2)CC1 726597286 FNAQIEUEOSMQNM-UHFFFAOYSA-N 400.414 -0.097 50 20 HBGD O=C(NNc1ccc(-n2cccn2)nn1)N[C@@H]1CCN(CCN2CCOCC2)C1 734686098 KNOPNDMWJGUACZ-OAHLLOKOSA-N 401.475 -0.305 50 20 HBGD O=C(NNS(=O)(=O)c1cnn(-c2ccccc2F)c1)[C@@H]1CCS(=O)(=O)C1 742026845 HPLSJXUTGFJAKZ-SNVBAGLBSA-N 402.429 -0.244 50 20 HBGD O=C(NCCNS(=O)(=O)c1cccnc1)NNc1ccc(-n2cccn2)nn1 746325506 FHBDAMTXTNKXFE-UHFFFAOYSA-N 403.428 -0.338 50 20 HBGD Cc1csc(CC(=O)NNC(=O)CN2CCN([C@@H](C)C(=O)N3CCCC3)CC2)n1 756045414 FFQBYBKPDVMHPZ-HNNXBMFYSA-N 422.555 -0.230 50 20 HBGD CCc1ccc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1S(N)(=O)=O 756525424 OQUQVBYQBKNWIE-SNVBAGLBSA-N 404.470 -0.516 50 20 HBGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)CCNS(=O)(=O)c1cccnc1 760442324 ILVUYJBTIAOGDU-UHFFFAOYSA-N 415.472 -0.188 50 20 HBGD CCS(=O)(=O)NCC(=O)NNC(=O)c1cc(-c2ccc(OC)c(OC)c2)[nH]n1 763153156 XUUWJANMWRMEBX-UHFFFAOYSA-N 411.440 -0.206 50 20 HBGD CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)C2CC2)cc1 763564189 XHMAOFQASBIVIZ-KGENOOAVSA-N 407.452 -0.005 50 20 HBGD CON(C)C(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cn2nc(C)cc2C)cc1 763892217 BRVMMYGNKWCWSJ-UHFFFAOYSA-N 402.411 -0.081 50 20 HBGD O=C(CSc1ccccc1O)NNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 764046755 AUFFDMQQTGVAPU-AWEZNQCLSA-N 422.507 -0.188 50 20 HBGD NC(=O)[C@@H]1CCCN1C1CCN(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 767459079 XBVIVEKALITJSV-INIZCTEOSA-N 418.454 -0.230 50 20 HBGD Cc1cc(C)cc(CCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 771650642 UNAZAQROTJTNNL-UHFFFAOYSA-N 412.450 -0.169 50 20 HBGD COCc1noc(CN2CCN(CC(=O)NNC(=O)c3ccc(F)cc3)CC2)n1 781958751 OOXKLCXVUBOSGG-UHFFFAOYSA-N 406.418 -0.066 50 20 HBGD CCNC(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)c1 784005027 XCONFDBNCMIRKR-UHFFFAOYSA-N 415.406 -0.146 50 20 HBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)[C@@H]2CCC[C@H](C(N)=O)C2)CC1 788000645 IIDNXWVNPSTYPA-UONOGXRCSA-N 424.527 -0.248 50 20 HBGD CC(=O)N[C@](C)(C(=O)NNC(=O)C(=O)N1CCCC1)c1ccc(S(C)(=O)=O)cc1 797717706 YLKHDONXNRKUCK-SFHVURJKSA-N 424.479 -0.789 50 20 HBGD CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)=NO1 798847471 ZWYNKGAYNNAONA-NXEZZACHSA-N 404.445 -0.762 50 20 HBGD Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)NNC(=O)N=c1cc[nH]cc1 802030081 WPQDBACOUCRKKD-UHFFFAOYSA-N 407.398 -0.466 50 20 HBGD COc1cc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc(OC)c1C 815568974 AUPHAQYSXZELJB-SECBINFHSA-N 402.429 -0.964 50 20 HBGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)CNS(=O)(=O)c2cccs2)c1 915197361 UPVNNKODJQAIMB-UHFFFAOYSA-N 417.490 -0.109 50 20 HBGD CCn1nc(C(=O)NNC(=O)C2(S(C)(=O)=O)CCOCC2)c2ccccc2c1=O 1117735752 NGZXJXRONZQWPC-UHFFFAOYSA-N 422.463 -0.229 50 20 HBGD COCC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)CC1 1786983334 NSCLEMNNWHSTLA-SZMVWBNQSA-N 416.283 -0.614 50 20 HBGD CCN(C)[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1790551118 CDDDEFNFBCNZDR-XIVBQZFQSA-N 417.315 -0.700 50 20 HBGD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)n1ccnc1 1793141234 LCGVTNVADYTZIY-SCNOPHJPSA-N 412.255 -0.973 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccsc1 1794637514 MNAMYOYXRSJKQM-SCAQPMJSSA-N 400.265 -0.055 50 20 HBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCC=CO1)C2 1797751833 UAKHIRAXQLUMCW-DLTLXFJOSA-N 415.450 -0.419 50 20 HBGD CN(C)C(=O)C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354580 JWELDHAOJYOOGD-LBPRGKRZSA-N 416.268 -0.863 50 20 HBGD CC(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1830023681 XAOSHLIPVNJGBI-LJQANCHMSA-N 414.503 -0.759 50 20 HBGD O=C(COc1cccnc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830726985 ZCJMYTVNYROPJK-CRAIPNDOSA-N 413.858 -0.484 50 20 HBGD CSCC[C@H](O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830738638 RGLYWULMQFEWDL-XEZPLFJOSA-N 410.920 -0.844 50 20 HBGD O=C([C@@H](O)CCl)N1CCOC[C@]2(C1)CN(C(=O)C(F)(F)C(F)F)CCO2 1832183187 LBLQHZUUVLIMQG-ZANVPECISA-N 406.760 -0.057 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837708877 RCASOAZHTUIZDY-XJKSGUPXSA-N 408.955 -0.106 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNS(=O)(=O)c2ccnn2C)cc1 727350518 OYTOHZSNPOLNAO-UHFFFAOYSA-N 401.470 -0.641 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cc(Br)ccc1F 728509775 MWXOHUHNSJGOBJ-ZCFIWIBFSA-N 418.266 -0.165 50 20 HBGD Cc1cc(C)n(CC(=O)NNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)n1 731763459 GGFKXBCGEVVKGM-UHFFFAOYSA-N 402.367 -0.019 50 20 HBGD Cn1c(NNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)nc2ccccc2c1=O 733261784 MKSUGUOZCXSQAU-UHFFFAOYSA-N 424.421 -0.786 50 20 HBGD CC(C)(C)OC(=O)N(CC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)C[C@H]1CCCO1 741893712 DGLVDSUCKRSJCX-QWHCGFSZSA-N 419.500 -0.015 50 20 HBGD O=C(CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NNC(=O)COc1ccccc1F 742470505 GXLKYPZCABFXEU-BQGCOEIASA-N 405.382 -0.096 50 20 HBGD Cc1nc(S(=O)(=O)NCCC(=O)NNC(=O)c2ccc3c(c2)OCCO3)cn1C 750664893 NCGZYUOIGMCDRS-UHFFFAOYSA-N 423.451 -0.371 50 20 HBGD COc1cc(C)ccc1NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 756183265 ZXPBQZMGGKCTTD-UHFFFAOYSA-N 415.410 -0.396 50 20 HBGD COC(=O)c1ccc(NNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)nc1 759738138 NCELLPTULHCZFD-UHFFFAOYSA-N 401.383 -0.851 50 20 HBGD CC(C)Oc1ccc(F)cc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764231067 MEZFDHKOQQNKQY-SECBINFHSA-N 404.420 -0.364 50 20 HBGD CC(=O)N[C@H](C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1)C(C)C 765736800 AXFNQAVLCQKGSE-SFHVURJKSA-N 403.483 -0.248 50 20 HBGD C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 780946056 BWODAGWWHLCMSN-CYBMUJFWSA-N 402.459 -0.206 50 20 HBGD O=C(COC(=O)CCN1C(=O)CCC1=O)NNC(=O)[C@H]1COc2ccccc2O1 791746894 ATHIZDPJAWZZFJ-CYBMUJFWSA-N 405.363 -0.944 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F 795313765 IDQIZAQFOPZXBW-RXMQYKEDSA-N 418.812 -0.366 50 20 HBGD O=C(CNS(=O)(=O)c1cccc(F)c1)NNc1nccc(N2CCOCC2)n1 810559391 TVYNRUMUWMSKBH-UHFFFAOYSA-N 410.431 -0.126 50 20 HBGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)c2ccc3c(c2)NC(=O)CNC3=O)cc1 814523679 NCGJARTWAHTDSS-UHFFFAOYSA-N 421.369 -0.142 50 20 HBGD Nc1nc(C(=O)NNC(=O)c2cc(-c3ccccc3)[nH]n2)nc(N2CCOCC2)n1 816829718 BRNGKZGDJKWUHE-UHFFFAOYSA-N 409.410 -0.245 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)CN3CCN(C)CC3)C2)C1 1778264256 SZHIEFHULCGJPJ-YJBOKZPZSA-N 402.923 -0.683 50 20 HBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)[C@H]1C[C@@H]1F 1781635186 PDSUGVVYMAMEGQ-MIALQEHNSA-N 404.247 -0.148 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cn[nH]c3)C[C@@H]21 1791288092 XCPOINGDFKFWNG-ULQDDVLXSA-N 420.514 -0.305 50 20 HBGD Cc1ccn(C)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795740252 KNWYJCWQMZTUKW-ALXJQNPVSA-N 411.267 -0.470 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCCO1 1800728441 RNUHVUPVHCPBGD-VZAMPYOESA-N 403.439 -0.933 50 20 HBGD Cc1ccc(C(=O)NCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)cc1 1802114871 GJXRAIBGSXKLMN-KYHPRHEASA-N 423.897 -0.086 50 20 HBGD O=C(c1cnccc1F)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830723130 LKRVEWLTDNPZQM-YOEHRIQHSA-N 401.822 -0.110 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CNC(=O)O3)CCO2)C1 1831573235 ACDBKLBYBFMEBZ-KNXALSJPSA-N 424.281 -0.213 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn(C)c3)CCO2)C1 1834176345 LPMYMFAINPEYRA-YOEHRIQHSA-N 400.863 -0.256 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cncn1)CCO2 1836136488 ZTKHJRWGHBJSID-QGZVFWFLSA-N 411.535 -0.414 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 1837712116 FKNYDHGLFYPQTI-RDTXWAMCSA-N 413.547 -0.427 50 20 HBGD O=C(c1ccn(C(F)F)n1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1838030990 VBKWXQDKSVPPGT-LRDDRELGSA-N 422.816 -0.052 50 20 HBGD NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1839864570 BNLIMXCRYLYFJY-OCCSQVGLSA-N 410.240 -0.601 50 20 HBGD CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1839876406 OWPQIUYQWWJUHJ-WBMJQRKESA-N 420.304 -0.248 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnsn3)C2)C1 1840150006 CUSNIZWTZLERQJ-XHDPSFHLSA-N 404.876 -0.138 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)NCC(C)C)C2)C1 1840152876 XHXPOJWLNNWIGN-RDTXWAMCSA-N 419.906 -0.531 50 20 HBGD O=C(NNc1nc(-c2cccnc2)no1)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 728075068 TYFPFEMQBLZAAE-CQSZACIVSA-N 401.427 -0.245 50 20 HBGD CCc1sc(C(=O)NNC(=O)COC(=O)Cn2ncn3nccc3c2=O)cc1C 736825719 OOACYIOWAHEIQF-UHFFFAOYSA-N 418.435 -0.172 50 20 HBGD O=C(COCc1ccccc1)NNC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 738449191 APZCNIMULSFZJO-UHFFFAOYSA-N 410.394 -0.146 50 20 HBGD CS(=O)(=O)NCCNC(=S)NNC(=O)c1cc(Br)ccc1O 743012749 GNAQVBKBDWQYCG-UHFFFAOYSA-N 411.303 -0.187 50 20 HBGD Cn1c(=O)c2cc(C(=O)NNC(=O)Cc3cn4ccccc4n3)n(C)c2n(C)c1=O 746638091 XRXNVSKZDCPKEM-UHFFFAOYSA-N 409.406 -0.773 50 20 HBGD CCOCC(=O)NNC(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O 757630306 VEVDHBUHPXAEDP-UHFFFAOYSA-N 406.399 -0.631 50 20 HBGD C[C@H](C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1ccc(S(=O)(=O)N(C)C)cc1 758036894 WKXTYALNASSVHB-WDEREUQCSA-N 420.513 -0.875 50 20 HBGD NS(=O)(=O)c1ccc(CCC(=O)NNC(=O)CNC(=O)c2cccnc2)cc1 763815574 XTJGOTRNTKZDOU-UHFFFAOYSA-N 405.436 -0.761 50 20 HBGD N#Cc1ccc(CS(=O)(=O)CC(=O)NNC(=O)CNC(=O)c2cccnc2)cc1 763824314 NEMZNEBNUXEKED-UHFFFAOYSA-N 415.431 -0.555 50 20 HBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)N1C[C@@H]2CCCN2c2ccccc21 764001820 FOPKPUGJUFBQHE-OLZOCXBDSA-N 406.464 -0.416 50 20 HBGD CCN1CCN(c2ccc(NC(=O)C(=O)NNC(=O)[C@H]3COCCO3)c(C)c2)CC1 764425744 SAKASWBUZPTMIM-QGZVFWFLSA-N 419.482 -0.362 50 20 HBGD CCNS(=O)(=O)[C@H]1CCN(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1 770753193 FCBXILVNVGAEKA-ZDUSSCGKSA-N 408.444 -0.970 50 20 HBGD CC1C[C@@H](C(=O)NNC(=O)c2cnn(C)c2)[C@H](C(=O)NNC(=O)c2cnn(C)c2)C1 775861432 WNYRUXVBRCAJLP-ZIAGYGMSSA-N 416.442 -0.962 50 20 HBGD CC[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCO2)C1 1783344065 YFQGOQQYFVISDZ-OZVIIMIRSA-N 419.320 -0.417 50 20 HBGD CCc1[nH]nc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1F 1783936886 WSQQFCXPRVCZFJ-LJQANCHMSA-N 424.477 -0.072 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3C[C@@]3(F)Cl)C[C@@H]21)c1cccc(B(O)O)c1 1786986629 SDURTZWOWWOVNS-AFFGTUGMSA-N 424.665 -0.116 50 20 HBGD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)n[nH]1 1797752952 NQXJVFXEFBJAMA-DRXBFXEBSA-N 413.438 -0.766 50 20 HBGD C[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1802112698 ULJGYDKOKDCVCQ-RKOFLFEYSA-N 423.897 -0.006 50 20 HBGD CC(=O)C(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1806248283 MWXOJTXPOOTNPM-PBHICJAKSA-N 410.434 -0.011 50 20 HBGD CCS(=O)(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1831337463 AOEBVVAXQBZTFT-OCCSQVGLSA-N 400.856 -0.588 50 20 HBGD O=C(Cc1ccc(F)cn1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1836027686 NXFOKHVAQYGBHH-CRAIPNDOSA-N 415.849 -0.181 50 20 HBGD CCOc1ccc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1OC 254508617 SPALKWIMTSKNEW-UHFFFAOYSA-N 414.422 -0.009 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] 728510046 DJSPWBIGYRPVMO-LURJTMIESA-N 400.822 -0.505 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CNC(=O)Cc1cccc2ccccc12 729274688 ADUDXLLGWRUNCO-GFCCVEGCSA-N 406.464 -0.416 50 20 HBGD NC(=O)CNS(=O)(=O)c1ccc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)o1 741143949 BSOUQQVKDJRNBG-UHFFFAOYSA-N 414.827 -0.300 50 20 HBGD CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NNC(=O)CO 753443782 ADROWSPJYJXNIZ-OAHLLOKOSA-N 401.441 -0.710 50 20 HBGD COCCO[C@H](C)C(=O)NNC(=O)NC1CCN(S(=O)(=O)C(C)(C)C)CC1 755897836 ZNKWVCCHXSVIDQ-GFCCVEGCSA-N 408.521 -0.039 50 20 HBGD Cc1n[nH]c(C)c1[C@H](C)CC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 764753057 QVLMJQIQYQPYFO-SECBINFHSA-N 416.442 -0.885 50 20 HBGD Cc1cc(NC(=O)C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)no1 766636070 IYTIOGVZXIXSEU-UHFFFAOYSA-N 414.422 -0.473 50 20 HBGD N#Cc1ncn(CC(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)n1 769302458 OPBMZZGLKFRXLQ-UHFFFAOYSA-N 416.873 -0.232 50 20 HBGD C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)NNC(=O)C(=O)NC1CC1 770956526 VJYDRVWQDDESOR-QMMMGPOBSA-N 422.385 -0.202 50 20 HBGD COCCO[C@@H](C)C(=O)NNC(=O)NCCN(C)S(=O)(=O)c1cccs1 772626406 RURYCXJYIQODEM-NSHDSACASA-N 408.502 -0.250 50 20 HBGD CC(C)Oc1ccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1C(N)=O 797677797 YDJQAFNEUXTFGV-SECBINFHSA-N 401.445 -0.337 50 20 HBGD CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)NNC(=O)COc1ccc(C#N)cc1 800747098 FCELPYUYRNBLHG-ZFWWWQNUSA-N 409.468 -0.015 50 20 HBGD CCS(=O)(=O)N1CCN(CC(=O)NNC(=O)Cc2nc(C)cs2)[C@H](C)C1 805773211 SUBXSNGHZVPXSX-GFCCVEGCSA-N 403.530 -0.503 50 20 HBGD COc1cc(Cl)c(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1C 808935030 GHJDFKNIJLHSCR-MRVPVSSYSA-N 406.848 -0.319 50 20 HBGD C[C@@H]1CN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)C[C@@H](C)S1(=O)=O 811850741 DITFKLOLWHQFGL-GHMZBOCLSA-N 417.513 -0.159 50 20 HBGD COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](B(O)O)C2)cc1 864233626 JIRBKCXMTDCZLA-OAHLLOKOSA-N 414.289 -0.341 50 20 HBGD CNS(=O)(=O)[C@@H]1CCN(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)C1 1116349821 NWKMTXOPSOOLCW-CYBMUJFWSA-N 411.488 -0.943 50 20 HBGD CN(C)N(C(=O)c1ccc(CCNS(C)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 1317728538 LYFBRJPBCWWIMH-HNNXBMFYSA-N 403.526 -0.116 50 20 HBGD CN1CCC[C@H](C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)C1 1780996940 HVOUEPOCYNWXOZ-LAUBAEHRSA-N 415.299 -0.848 50 20 HBGD CC[C@H](C)[C@@H](N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1786816475 HNYOQTOGZAOFJC-LEYVVWKUSA-N 417.315 -0.667 50 20 HBGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1)n1cccn1 1791293211 OEZABQDIBPGUNK-QZWWFDLISA-N 420.514 -0.203 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccco1)C2)c1ccc(B(O)O)cc1 1795732837 MMUJQVNKCSLPRQ-XMYGOJHDSA-N 410.235 -0.124 50 20 HBGD COCCOCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1795783997 KTANKPZIHNYJET-BTTYYORXSA-N 405.455 -0.400 50 20 HBGD C[C@H](Nc1cnccn1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796191536 UZPWUXXCINPHBM-RUGDWHBFSA-N 423.282 -0.091 50 20 HBGD COCCOCC(=O)N1CCCC2(CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1 1809415552 IHIUEFAIPCIBCL-UHFFFAOYSA-N 418.299 -0.126 50 20 HBGD CC(=O)NCCC(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809974620 XJFLJCURDHNDNE-UHFFFAOYSA-N 415.299 -0.263 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830064847 UTISYCLXONFOJU-IBGZPJMESA-N 409.487 -0.634 50 20 HBGD O=C([C@H](O)CCl)N1CCO[C@]2(COCCN(C(=O)[C@H](O)c3ccco3)C2)C1 1830719975 QCAIFNKIRKXGBA-SUYBPPKGSA-N 402.831 -0.631 50 20 HBGD CNc1nsnc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830720382 YNSCFOJZAYOJIW-MEBBXXQBSA-N 419.891 -0.751 50 20 HBGD CN(C)c1ncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)o1 1830725267 MNRPQQQYJRQOPE-YVEFUNNKSA-N 416.862 -0.590 50 20 HBGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1839865446 BKOLOMXDUCMACE-BLLLJJGKSA-N 420.304 -0.118 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3csnn3)C2)C1 1840150163 GUJPNICDUAOMRO-ABAIWWIYSA-N 404.876 -0.138 50 20 HBGD COCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCC(=O)NN(C)C)CCO2 1840183004 YWQTVNJYCZRQHV-IBGZPJMESA-N 414.503 -0.758 50 20 HBGD C[C@@H](CBr)C(=O)N1CC2(CCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)C1 1843233801 DNQYTUIMQONSFI-VIFPVBQESA-N 424.259 -0.339 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1cnc(O)nc1O)C2 1844264148 MBCOFYSMRKHXTD-UHFFFAOYSA-N 413.394 -0.983 50 20 HBGD Cc1nc2ccccn2c1C(=O)NNC(=O)CNS(=O)(=O)c1cn(C)c(C)n1 725880233 ZMXDCFSDEVXYRQ-UHFFFAOYSA-N 405.440 -0.576 50 20 HBGD C=CCNC(=S)NNC(=O)Cn1cnc2c(c(Br)nn2C)c1=O 727176168 MORVCJAVKJOHEG-UHFFFAOYSA-N 400.262 -0.426 50 20 HBGD CS(=O)(=O)CCNC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 727942882 GAQNLYYUDVIFHP-UHFFFAOYSA-N 418.497 -0.540 50 20 HBGD CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cnn(C)c2)cc1 735445960 LRXUNDCCUPMMTA-UHFFFAOYSA-N 408.440 -0.540 50 20 HBGD COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNC(=O)N3CCOCC3)C2=O)cc1 745991921 LEWJTDBKNILFKZ-GOSISDBHSA-N 405.411 -0.465 50 20 HBGD CCOC(=O)N1CCN(S(=O)(=O)NNC(=O)COCc2ccccc2)CC1 755972033 FSLTYTSMWNWNLN-UHFFFAOYSA-N 400.457 -0.157 50 20 HBGD C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NNC(=O)C(=O)Nc2ccccn2)C1=O 758823751 UNQNBERVTPOLTI-IBGZPJMESA-N 410.390 -0.365 50 20 HBGD CCCNC(=O)CCC(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766635884 IFFQNQJHMBCSEI-UHFFFAOYSA-N 403.483 -0.102 50 20 HBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c(C)cc1F 793392292 HOUCDDGZUUWPHW-MRVPVSSYSA-N 411.433 -0.832 50 20 HBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c(C)cc1F 793392294 HOUCDDGZUUWPHW-QMMMGPOBSA-N 411.433 -0.832 50 20 HBGD CO[C@H](C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1)c1cnn(C)c1 799100083 LHILJBOKVHWULM-HNNXBMFYSA-N 423.499 -0.418 50 20 HBGD CNS(=O)(=O)N1CCC(C(=O)OCC(=O)NNC(=O)c2cccs2)CC1 803938509 SLUKIRVCWZDYSD-UHFFFAOYSA-N 404.470 -0.772 50 20 HBGD CN1CCN(C(=O)NNC(=O)[C@@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)CC1 807380676 ZVJSPPZUIFCNGX-AWEZNQCLSA-N 403.439 -0.201 50 20 HBGD Cn1nnc2c1C[C@H](C(=O)OCC(=O)NNC(=O)[C@H]1COc3ccccc3O1)CC2 811342084 HZTILASLIUEIKX-BDJLRTHQSA-N 415.406 -0.549 50 20 HBGD Cc1c(NC(=O)C(=O)NNC(=O)CN(C)C)nnn1CCOc1ccc(F)cc1 815568959 ADXLRDKRLXWYKN-UHFFFAOYSA-N 407.406 -0.548 50 20 HBGD COCCN1C[C@H](C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)CC1=O 914590643 PTLDAJIOLWOTNR-IUODEOHRSA-N 421.406 -0.988 50 20 HBGD O=C(COC(=O)[C@]12CCC(=O)N1CCS2)NNC(=O)c1cccc([N+](=O)[O-])c1 916532018 AAFRGQHENRFWND-MRXNPFEDSA-N 408.392 -0.036 50 20 HBGD CSCC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)NN 916665500 AZDLSYZOBPUESO-AWEZNQCLSA-N 416.525 -0.451 50 20 HBGD C[C@H](C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(S(C)(=O)=O)cc1 1319164176 NZGJZHJTGSLXCW-JQWIXIFHSA-N 403.482 -0.289 50 20 HBGD O=C(CO[C@H]1CCOC1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1319358997 CFUHMTDPWVPQPP-AWEZNQCLSA-N 413.452 -0.726 50 20 HBGD Cn1cnnc1SCc1ccc(C(=O)NNS(=O)(=O)c2cnnn2C)cc1 1321825815 QUIRGWUTRSJDCQ-UHFFFAOYSA-N 408.469 -0.141 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1783879874 ZBKNGCRFNJFDLH-CXAGYDPISA-N 404.895 -0.557 50 20 HBGD CCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783933289 GKEJBCFJFQIVNO-KUHUBIRLSA-N 411.503 -0.896 50 20 HBGD CCC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H]3NC(=O)NC3=O)C[C@@H]21 1784616383 SFTKVQJQSSLEKY-YHQUGGNUSA-N 414.890 -0.028 50 20 HBGD CS(=O)(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1784747578 ZOMUGRWHGKCWHV-WCQYABFASA-N 415.281 -0.059 50 20 HBGD CC(C)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(CCO)CCO)[C@H]2C1 1790906579 CYBUKLDPSWDLCK-JYJNAYRXSA-N 419.950 -0.482 50 20 HBGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NNC(=O)C3)C[C@@H]21 1791055675 DEAVOARHMYGGRL-GMOBBJLQSA-N 401.261 -0.375 50 20 HBGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)n(C)n3)C[C@@H]21 1791252083 BKSMQFCVCUYWBW-MNXVOIDGSA-N 400.863 -0.027 50 20 HBGD CC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl)C(C)(C)C 1792975334 QPPDJCNTZRVGSK-AIEDFZFUSA-N 403.907 -0.274 50 20 HBGD CC(=O)N1CCN(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H](O)CCl)CC1 1793111628 TVQKZRKWFVRAGH-FZKCQIBNSA-N 400.907 -0.612 50 20 HBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)CNC(C)=O 1793474360 VSQKJBTURIICGU-LXTVHRRPSA-N 403.907 -0.008 50 20 HBGD C[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2)N1C[C@@H]2C[C@H]2C1 1798317850 JNWXWRKBMXINBH-LTAPWVTPSA-N 411.311 -0.042 50 20 HBGD COC(=O)C12CC(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@@H](O)CCl)C4)(C1)C2 1800702184 BMYSOGBUBGCMAM-PCTZJPQOSA-N 400.859 -0.481 50 20 HBGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)CNC(C)=O)C2 1800970367 CRTWOLYSEONFHF-LXTVHRRPSA-N 403.907 -0.008 50 20 HBGD CNC(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1831279541 KXZCXEZOOUGFAX-NHYWBVRUSA-N 406.277 -0.638 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnn3C)CCO2)C1 1834238742 HFJXUMHOULEPSJ-DYVFJYSZSA-N 400.863 -0.256 50 20 HBGD O=C(c1ccn(C(F)F)n1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1838030994 VBKWXQDKSVPPGT-WBMJQRKESA-N 422.816 -0.052 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c[nH]c(=O)cn1)CCO2 1838638673 MXMYABNFRCOMOJ-SFHVURJKSA-N 424.530 -0.309 50 20 HBGD C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1840179423 MIXSFRIJTJBXBZ-IMJJTQAJSA-N 410.826 -0.407 50 20 HBGD O=C(CCCn1ccnc1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840383573 UJPZYRPLOIFZRF-QAPCUYQASA-N 414.890 -0.281 50 20 HBGD Cc1nccn1[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840488839 AYMZJUGHEMQQFO-SIIHOXLZSA-N 414.890 -0.191 50 20 HBGD COCCOc1ccc(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1C 728509483 GEMCWOMKGMBJGH-LLVKDONJSA-N 409.486 -0.733 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc(Br)c2c(c1)OCCO2 729277183 UOFCADSFRLWVFD-ZETCQYMHSA-N 422.257 -0.081 50 20 HBGD COCCN(CC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)OC(C)(C)C 733951831 QEDVQNCJVSRTIV-NSHDSACASA-N 408.477 -0.613 50 20 HBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)CCc2cnn(C)c2)CC1 735117279 FCOWUOCDSWFBCW-UHFFFAOYSA-N 407.500 -0.173 50 20 HBGD CN1CC[C@H](NC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1=O 739063351 CWDZNXCEPLBBAD-AWEZNQCLSA-N 409.468 -0.354 50 20 HBGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 746385674 IRMMYNWCTNSORS-LSDHHAIUSA-N 422.457 -0.079 50 20 HBGD CN(C)c1cccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)c1 746387506 KUEIAPHNHOKDIV-MRXNPFEDSA-N 403.483 -0.306 50 20 HBGD C[C@H](C(=O)NNC(=O)Cc1cn2ccccc2n1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 746548016 BSVXVXIWNBQJGJ-GTOWQFAVSA-N 411.418 -0.425 50 20 HBGD Cn1c(CC(=O)NNC(=O)NCCS(=O)(=O)N2CCOCC2)nc2ccccc21 748111381 LVHYLFIIQZHXAX-UHFFFAOYSA-N 424.483 -0.892 50 20 HBGD C[C@@H](C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(C)C 750606351 KAELNTMWRHURJD-AWEZNQCLSA-N 412.512 -0.262 50 20 HBGD COCCOCCS(=O)(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 754744814 MSXRAXFJEIFPAY-UHFFFAOYSA-N 415.877 -0.785 50 20 HBGD Cc1nnnn1-c1cc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)ccc1F 756335136 CGNWTTNUMZYAPT-ZETCQYMHSA-N 400.396 -0.800 50 20 HBGD Cc1ccc(SCC(=O)NNC(=O)CN2CCN(S(C)(=O)=O)CC2)cc1 759693319 VMNIQTPRLWVLOD-UHFFFAOYSA-N 400.526 -0.188 50 20 HBGD CN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NNC(=O)CC3CC3)cc2)CC1 764142126 LOPWKYNSIZPPRO-UHFFFAOYSA-N 401.467 -0.111 50 20 HBGD NC(=O)N[C@H](CO)C(=O)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 765469563 PGNATRAHEBNKDP-CQSZACIVSA-N 409.406 -0.276 50 20 HBGD O=C(NNS(=O)(=O)c1cc2nc(O)[nH]c2cc1Br)[C@H]1COCCO1 768504532 MMHFXZULQVLLGR-SECBINFHSA-N 421.229 -0.244 50 20 HBGD CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cn1 769729231 SWMKPFHMWVVPRN-AWEZNQCLSA-N 406.420 -0.067 50 20 HBGD C[C@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)C[C@@H](C)O1 782410479 BUSXNXKGNIOGIL-PHIMTYICSA-N 420.351 -0.360 50 20 HBGD Cc1oc(C(C)C)nc1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 802763620 YGOZIBQDDOPYON-UHFFFAOYSA-N 403.399 -0.685 50 20 HBGD COc1cc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc(OC)c1C 815568975 AUPHAQYSXZELJB-VIFPVBQESA-N 402.429 -0.964 50 20 HBGD CCOc1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H](B(O)O)C2)cc1OCC 864234846 XEZADGDWZBRNRT-GFCCVEGCSA-N 400.262 -0.162 50 20 HBGD C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1778970338 YTCHNVXBACXIPI-UTKZUKDTSA-N 416.283 -0.617 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](COC)NC(C)=O)C2)C1 1779316002 ASDOFLGOOASDAD-VBQJREDUSA-N 405.879 -0.779 50 20 HBGD C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1)n1cccn1 1783938473 ZJZFJZVFHNWWMO-BEFAXECRSA-N 406.487 -0.353 50 20 HBGD CCC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@@H]21 1784616120 GMNCVGWYHDSBRE-FQUUOJAGSA-N 414.890 -0.075 50 20 HBGD O=C(/C=C/c1cnccn1)N1CC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1784619798 WGAVSFZNJWKDGH-YAQIIAKESA-N 422.250 -0.687 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)/C=C/c3cnccn3)C2)C1 1784626023 JBVPHXPGIOJKHZ-GECPCNCSSA-N 416.482 -0.307 50 20 HBGD NC(=O)c1ncccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1785515502 VHFWPBZTHCKVRK-PYJNHQTQSA-N 410.858 -0.627 50 20 HBGD CCc1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)co1 1798225060 NGVUJESKJAREOK-IVWMJMPLSA-N 407.471 -0.187 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1813072750 FAZVMCJRCPWDFJ-FOIQADDNSA-N 415.450 -0.452 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)COCCO)[C@H]1c1cccnc1 1813074206 WJMBQPBGUIMZHW-UZLBHIALSA-N 421.498 -0.531 50 20 HBGD O=C(N[C@H]1CCc2nc(NC(=O)[C@H]3C[C@@H](O)C3)sc2C1)c1ccc(B(O)O)cc1 1818658299 HUYSQSZDCZIDSD-FPMFFAJLSA-N 415.280 -0.180 50 20 HBGD CC(C)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1835480310 NGDGCBBOPFGTCO-LJQANCHMSA-N 408.235 -0.816 50 20 HBGD O=C1NCc2cc(C(=O)N3CCCC34CN(C(=O)c3cccc(B(O)O)c3)C4)ccc21 1844133019 VVIFOKBYWOVGAD-UHFFFAOYSA-N 419.246 -0.259 50 20 HBGD CC(=O)N(C)CCC(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844263606 WDLSILULLKYMPR-UHFFFAOYSA-N 402.455 -0.630 50 20 HBGD CS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)o1 733588049 LSGZMHRJOILXER-ZDUSSCGKSA-N 424.387 -0.173 50 20 HBGD O=C(NNS(=O)(=O)c1ccc2c(c1)C(=O)NCC2)c1ccc(-n2cnnn2)cc1 734807095 UGQIWYJJPAPCTL-UHFFFAOYSA-N 413.419 -0.429 50 20 HBGD COc1ncc(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)cn1 735118929 ZQXYYNFUXIHVQG-UHFFFAOYSA-N 407.456 -0.427 50 20 HBGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1cc(CNC(C)=O)ccc1OC 740812455 JSCVGIPKEJLCJM-UHFFFAOYSA-N 414.484 -0.054 50 20 HBGD CC(=O)N1CCN(c2ccc(C(=O)NNC(=O)[C@H]3COCCO3)cc2[N+](=O)[O-])CC1 744643552 PXJKZCVOBCRNOL-MRXNPFEDSA-N 421.410 -0.560 50 20 HBGD O=C(NNC(=O)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1)C(=O)N1CCCC1 748240533 GOYOOXJOCBHTMH-ZIAGYGMSSA-N 408.455 -0.262 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CCNS(=O)(=O)/C=C\c1ccccc1 758036829 VYMHEFFKPUFHTD-UCQJPZFISA-N 418.497 -0.948 50 20 HBGD COC(=O)c1cn([C@@H]2CCCN(CC(=O)NNC(=O)Cc3nc(C)cs3)C2)nn1 762624323 QFKRCPPXKOTCRX-GFCCVEGCSA-N 421.483 -0.143 50 20 HBGD Cn1c(=O)n(C)c2cc(NC(=O)C(=O)NNC(=O)[C@@H]3Cc4ccccc4O3)ccc21 764167017 HJLRJLOPASWRGE-INIZCTEOSA-N 409.402 -0.033 50 20 HBGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1 764433475 NPYISDQSPPUSLJ-JGFSIVIASA-N 409.342 -0.185 50 20 HBGD COc1cc2c(cc1OC)CN(C(=O)CCC(=O)NNC(=O)C(=O)NC1CC1)CC2 764607701 LHPGISFPKUMALS-UHFFFAOYSA-N 418.450 -0.205 50 20 HBGD COCCCC(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 765733893 SIVWAUDFBBGFKL-UHFFFAOYSA-N 412.512 -0.125 50 20 HBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 784916671 AOXWJLXCWFZQPX-UHFFFAOYSA-N 406.443 -0.412 50 20 HBGD COC(=O)Cn1ncc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)c1C 797003119 WUSYWEZMMBHYNL-AWEZNQCLSA-N 401.379 -0.546 50 20 HBGD CCc1c(C(=O)NNc2ccc(-n3ccnc3)nn2)cnc2c1c(=O)n(C)c(=O)n2C 804953520 SVWXBUWUTPKBHS-UHFFFAOYSA-N 421.421 -0.073 50 20 HBGD Cc1cc(C(=O)NCC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)no1 1779121035 WSOUFBZZMNXLNQ-CXAGYDPISA-N 414.846 -0.858 50 20 HBGD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)n[nH]1 1786981046 MVNYELFVBQKBPZ-ZVZYQTTQSA-N 412.255 -0.695 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C[C@@H]21)[C@@H](F)Cl 1787445368 CXRBLYYVESFLCX-LKAMGYQZSA-N 412.809 -0.455 50 20 HBGD CC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(CCO)CCO)[C@H]2C1 1790910844 JSWVTBPOKONSET-JONQDZQNSA-N 405.923 -0.730 50 20 HBGD C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21)n1cnnn1 1791688097 YRZKRBVSTGWZCS-UHFZAUJKSA-N 419.255 -0.096 50 20 HBGD C[C@H](NC(=O)c1cnccn1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)CCl 1793111762 WEFOXGNSBMRRLX-AIUMHDJVSA-N 409.874 -0.167 50 20 HBGD CN[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@](C)(Cl)CCl)C2)C(=O)O 1795645388 KODFQPIRRCWMKK-QIJJUMSOSA-N 410.298 -0.125 50 20 HBGD C[C@H](CN)C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807011855 QZGWHMKDZGLUFG-LSBZLQRGSA-N 410.283 -0.324 50 20 HBGD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1)n1cnnn1 1813469744 KHPNMRUKXSFITD-UQOMUDLDSA-N 407.862 -0.065 50 20 HBGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)C3CC(O)C3)C2)C1 1834818662 AYSPYCHESIDOSL-SEEARECTSA-N 405.289 -0.001 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2cccn3c(O)nnc23)C1 1843316520 URPFPWSHIMPIBV-UHFFFAOYSA-N 421.222 -0.755 50 20 HBGD Cn1cccc1C(=O)NNC(=O)c1cncc(C(=O)NNC(=O)c2cccn2C)c1 728202895 CFJNJFUCTICKNV-UHFFFAOYSA-N 409.406 -0.092 50 20 HBGD NC(=O)[C@H]1CCCN(CCCNC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)C1 729506156 NULJQZWTKULKEZ-BBRMVZONSA-N 405.455 -0.256 50 20 HBGD O=C(CCNC(=O)N1CCc2ccccc2C1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 732259394 QVJBTYJQMYPZFG-OAHLLOKOSA-N 408.480 -0.274 50 20 HBGD COc1ccccc1NCC(=O)NNC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 754415857 GMGVRJBPWVDWHV-UHFFFAOYSA-N 420.447 -0.173 50 20 HBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1coc(S(N)(=O)=O)c1 757628568 JJBIBPLIOKYAOZ-UHFFFAOYSA-N 415.453 -0.397 50 20 HBGD CN(NC(=O)c1nc(O)nc(O)c1N)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 758781982 JUGZIJPLLPFUFF-UHFFFAOYSA-N 411.419 -0.281 50 20 HBGD CS(=O)(=O)N1CCN(CC(=O)NNC(=O)c2cc(-c3ccccc3)[nH]n2)CC1 762931989 MDTIEBCHWVRMAY-UHFFFAOYSA-N 406.468 -0.585 50 20 HBGD COCC(=O)NNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C 764299705 LBRQTFDCQPINNC-UHFFFAOYSA-N 412.468 -0.098 50 20 HBGD O=C(CCC(=O)N1CCN(c2ccccc2)CC1)NNC(=O)[C@H]1CCS(=O)(=O)C1 764614087 FUJLQOLYHLZKIH-HNNXBMFYSA-N 422.507 -0.303 50 20 HBGD Cc1ccccc1C1(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 766646339 ZOTPMGYRGASWFY-UHFFFAOYSA-N 410.434 -0.379 50 20 HBGD COCCCS(=O)(=O)N1CCN(CC(=O)NNC(=O)c2ccc(C)cc2)CC1 770253100 SARQOECNZJFIGF-UHFFFAOYSA-N 412.512 -0.260 50 20 HBGD Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1cnn(C)c1C 793350344 LKLDSTDQODFZAE-UHFFFAOYSA-N 400.486 -0.047 50 20 HBGD Cc1nc2ccccn2c1C(=O)NNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 914830721 SZOHSZVBGSFBEZ-CHWSQXEVSA-N 419.463 -0.561 50 20 HBGD Nc1n[nH]c(CCC(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)n1 1778855202 QGPRYFICHNBGJZ-FZMZJTMJSA-N 419.255 -0.160 50 20 HBGD CNCCCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779031824 ZIOZOVIBTHMCAA-IBGZPJMESA-N 404.471 -0.872 50 20 HBGD C[Si](C)(C)OCC(=O)N1CC[C@]2(C1)CN(C(=O)C[C@@H]1NC(=O)NC1=O)CCO2 1779293935 HUXWOUWBRQURMG-SJCJKPOMSA-N 412.519 -0.734 50 20 HBGD C[Si](C)(C)OCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](N)CCC(N)=O)CCO2 1779296631 XRUOJUYCSLEXDI-SUMWQHHRSA-N 400.552 -0.739 50 20 HBGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1 1782746170 YLOLRSRZEMRYTC-SJCJKPOMSA-N 403.863 -0.233 50 20 HBGD O=C(CN1C(=O)C=CC1=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1784119338 WZHVFHPHSZZINN-DZGCQCFKSA-N 418.219 -0.568 50 20 HBGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1)n1cccc1 1795736876 OWHMNGHSZSGUAJ-VYCZESIESA-N 411.267 -0.368 50 20 HBGD O=C(CN1C(=O)C=CC1=O)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@H]1c1cccnc1 1813174179 BBGPSFVXSCRPTN-DEYYWGMASA-N 420.853 -0.388 50 20 HBGD O=C(c1cnn2ccncc12)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830728076 OOZXTXCTHYOFRB-QAPCUYQASA-N 423.857 -0.601 50 20 HBGD COCC(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835736950 MRFNOYLQPFHWPR-UHFFFAOYSA-N 418.498 -0.483 50 20 HBGD NS(=O)(=O)c1cnn(CC(=O)NNC(=O)c2ccc(Br)s2)c1 109711601 FRGYVTITGYRQGU-UHFFFAOYSA-N 408.259 -0.184 50 20 HBGD CCS(=O)(=O)NC1CCN(C(=O)NNC(=O)CNC(=O)c2ccco2)CC1 725870568 KQTJMQYLPZCXBE-UHFFFAOYSA-N 401.445 -0.846 50 20 HBGD O=C(COC(=O)CCn1ccccc1=O)NNC(=O)[C@H]1COc2ccccc2O1 728326643 CQTNPUYHFSRPCY-OAHLLOKOSA-N 401.375 -0.231 50 20 HBGD Cc1cc(C(=O)O)cc(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1F 749142543 PEKBGCSGCQSZHT-VIFPVBQESA-N 409.417 -0.488 50 20 HBGD Cc1nc(S(=O)(=O)NCCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cn1C 750661050 XWBVDODQSNUDFP-UHFFFAOYSA-N 410.412 -0.234 50 20 HBGD CSc1cc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)ccn1 757811618 XINKXTGOYYROSJ-UHFFFAOYSA-N 418.439 -0.597 50 20 HBGD NS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)COCc2ccccc2)c1 764366358 KQDAAQHBHRPGPE-UHFFFAOYSA-N 406.420 -0.363 50 20 HBGD COC(=O)c1coc(C(C)=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 766452238 DGPDFVBLHRHGBE-UHFFFAOYSA-N 402.367 -0.646 50 20 HBGD CC(C)Nc1ccc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cn1 768290302 GNPDBJICNLZDPG-UHFFFAOYSA-N 414.426 -0.890 50 20 HBGD CN1CCN(C(=O)NNC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)CC1 773672759 JCUMGYSRXDCABI-IBGZPJMESA-N 400.439 -0.632 50 20 HBGD COC(=O)c1cc(F)c(F)cc1NC(=O)C(=O)NN[C@@]1(C)CCS(=O)(=O)C1 783425115 BBJASPOKGSYDDM-HNNXBMFYSA-N 405.379 -0.112 50 20 HBGD O=C1CN(S(=O)(=O)c2cccc(NC(=O)C(=O)NNc3ccccc3)c2)CCN1 784769851 PJPIBEHVRNKSOZ-UHFFFAOYSA-N 417.447 -0.111 50 20 HBGD O=C(N=c1cc[nH]cc1)NNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 802024453 FMIJGAKKXFETNL-QLFBSQMISA-N 423.495 -0.234 50 20 HBGD Cn1[nH]cc2c(=NC(=O)C(=O)NNC(=O)COc3ccccc3[N+](=O)[O-])ccnc1-2 806974654 QJHSVOSGHCDGNO-UHFFFAOYSA-N 413.350 -0.585 50 20 HBGD NS(=O)(=O)c1cc(C(=O)NNC(=O)Cn2nc3ccccn3c2=O)ccc1Cl 892679760 IUFYRTWKGKVXJM-UHFFFAOYSA-N 424.826 -0.742 50 20 HBGD O=C1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)c3ccccn3)cc2)CCN1 914457436 YLVDETLZDOFVPY-UHFFFAOYSA-N 403.420 -0.723 50 20 HBGD Cc1oncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786979483 OSXXWZKBQJZULM-WBAXXEDZSA-N 413.239 -0.430 50 20 HBGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)CCC(N)=O)C[C@@H]21 1791057471 DKDQPBPFJSNYJT-VLJOUNFMSA-N 419.320 -0.658 50 20 HBGD O=C(NCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl)c1ccc[nH]1 1792975283 MUKWMDUZYHUCEO-FAXLKDOZSA-N 412.874 -0.676 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[C@H](O)c1ccccc1 1795385606 ZWPOUIUNBUHARR-PIKOESSRSA-N 424.262 -0.697 50 20 HBGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H](NC)C(=O)O 1795647507 PLEBMJCKGSLCSN-XJGUIPMBSA-N 420.304 -0.188 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCCC1)C2 1801014346 MTSCQZCJSOKAPX-CWPLJXCYSA-N 409.531 -0.565 50 20 HBGD CC(=O)NCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1821944482 RWOKKLVPOGAGFD-INIZCTEOSA-N 413.243 -0.469 50 20 HBGD O=C(CN1C(=O)C=CC1=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](O)CCl)CC2 1826313366 TXSTUOYOEPKTLW-WPRPVWTQSA-N 412.855 -0.420 50 20 HBGD Cc1onc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1C 1830726320 QBAGEJNXBLZMCI-GUYCJALGSA-N 401.847 -0.039 50 20 HBGD CC(C)N1CCC[C@H]1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830738792 SZRQKTGBHVSACE-BXWFABGCSA-N 417.934 -0.085 50 20 HBGD O=C1C[C@H](C(=O)N2CCC(N3CCC(NC(=O)[C@@H](O)CCl)CC3)CC2)CN1 1833312232 LUCRDAADWOEPLK-WFASDCNBSA-N 400.907 -0.706 50 20 HBGD CCn1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cc1C 1838146638 WOAFWKQSRHSIDP-CRAIPNDOSA-N 414.890 -0.119 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnsn3)C2)C1 1840150004 CUSNIZWTZLERQJ-IAQYHMDHSA-N 404.876 -0.138 50 20 HBGD O=C([C@@H](O)CCl)N1CC2(CCCN2C(=O)[C@H]2CCc3nc(O)nc(O)c3C2)C1 1842056945 VVIDQUAOMAPCHN-GWCFXTLKSA-N 410.858 -0.204 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1ccc3nncn3c1)C2 1844264490 YFVIZIDAXNGERH-UHFFFAOYSA-N 420.433 -0.141 50 20 HBGD C[C@H](CC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1 729339851 BXVRQLABKJTYAD-ZYHUDNBSSA-N 421.472 -0.105 50 20 HBGD C[C@@H](C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)N1CCN(c2ccc(F)cc2)CC1 732259622 SNCTWUNFMKIKOL-UONOGXRCSA-N 412.487 -0.082 50 20 HBGD COc1cc(C=NNC(=O)C(=O)NC2CC2)ccc1OCC(=O)N1CCOCC1 744824356 XOWZNBDAKYJACR-UHFFFAOYSA-N 404.423 -0.339 50 20 HBGD CNS(=O)(=O)[C@H]1CCN(CC(=O)NNC(=O)c2cc(Cl)ccc2OC)C1 750191195 NGIOASODNQLHKU-NSHDSACASA-N 404.876 -0.267 50 20 HBGD O=C(N=c1cc[nH]cc1I)NNC(=O)[C@@H]1CCS(=O)(=O)C1 760033416 GZQDJENJXNDQHK-SSDOTTSWSA-N 424.220 -0.305 50 20 HBGD COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)NNC(=O)CC3CC3)cc2)CC1 764141987 JLSCVKLUWVPJPA-UHFFFAOYSA-N 417.466 -0.132 50 20 HBGD CS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)cn1 764166997 GXGRUNPUQPHHSN-ZDUSSCGKSA-N 404.404 -0.425 50 20 HBGD CCOC(=O)c1c(C)csc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 764234806 ZWDUXZLYVYYBCU-QMMMGPOBSA-N 420.469 -0.743 50 20 HBGD Cc1cc(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc([N+](=O)[O-])c1F 768274201 NZDFCHSTDCLBBJ-QMMMGPOBSA-N 410.405 -0.278 50 20 HBGD Cn1cc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C(C)(C)C)n1 769584767 IWWHLXMEXILUQW-UHFFFAOYSA-N 400.443 -0.385 50 20 HBGD CNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)c1C 784003684 LTKSMWXYMGHAAD-UHFFFAOYSA-N 417.447 -0.068 50 20 HBGD CCOC(=O)c1ccc(OC)c(S(=O)(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 795291617 ZFLHLLYERPOCIN-NSHDSACASA-N 420.465 -0.384 50 20 HBGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1ccc2c(c1)CC(=O)N2 915958547 JUPURMDZZZIRLC-UHFFFAOYSA-N 402.436 -0.394 50 20 HBGD Cc1nnc(NNC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)nc1O 916988395 GUVJSPWQPMJLSS-UHFFFAOYSA-N 410.412 -0.531 50 20 HBGD C[C@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cnnn1)C2 1781998429 UHLRYZUZZVTPHG-YWPYICTPSA-N 415.292 -0.030 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)N1CCN(C)CC1)CCO2 1783879875 BIDPPKUAAXRTAB-JTDSTZFVSA-N 416.950 -0.294 50 20 HBGD CC(=O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1784333888 XOUVFCGUTAIIBG-SZMVWBNQSA-N 416.283 -0.425 50 20 HBGD CC(C)O[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786980969 HLJVAFMRESAYPI-CBVHJVASSA-N 418.299 -0.227 50 20 HBGD COCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788610826 WWQLZYZKIMTAMS-RCBQFDQVSA-N 405.455 -0.685 50 20 HBGD C[C@](Cl)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@H](N)C(N)=O)C[C@@H]21 1789866395 QPAYARQDXHLIAA-SMXCXOSKSA-N 423.341 -0.205 50 20 HBGD CC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@H]2C1 1790635130 CMIBSDMPYGQODS-CYDGBPFRSA-N 403.863 -0.474 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)C(C)(C)C)C[C@@H]21 1791288004 MSEAVDZNJHDSOL-XSWJXKHESA-N 412.531 -0.254 50 20 HBGD C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21)n1cnnn1 1791688095 YRZKRBVSTGWZCS-HTFCKZLJSA-N 419.255 -0.096 50 20 HBGD O=C1Cc2cc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@H](O)CCl)ccc2N1 1792981797 WCJVXAGXVYUYPY-IARIHHJXSA-N 407.854 -0.016 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@H]3C=CS[C@@H]31)C2)c1ccc(B(O)O)cc1 1795736744 IRWLNPJCHSZTNT-OPICCCTDSA-N 414.292 -0.555 50 20 HBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)Cc1cccnc1 1796398750 KCFZMFUXZPGQFR-BPKGMFCQSA-N 410.902 -0.205 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccncc1O 1798025568 KPNHPJYKCWQOEF-IVWMJMPLSA-N 405.455 -0.637 50 20 HBGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1830543876 GWKAOXRTLACGMZ-BLLLJJGKSA-N 417.256 -0.438 50 20 HBGD O=C(CN1CCSCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830720007 QRAHQEGFVHBBSG-YOEHRIQHSA-N 421.947 -0.909 50 20 HBGD CN1N=C(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Cl)C3)C2)CCC1=O 1832374904 COFSIPJLTDFDSU-BBRMVZONSA-N 404.826 -0.415 50 20 HBGD C[C@H](Cn1cccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1833191804 VKSNXEDHSLUPAD-RKVPGOIHSA-N 414.890 -0.425 50 20 HBGD C[C@H](NC=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1839163283 JRCOENZTKLZZLR-VBNZEHGJSA-N 410.298 -0.186 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2cnc(OCF)cn2)C1 1842243782 ABHFMJUJOKSDBD-UHFFFAOYSA-N 414.202 -0.407 50 20 HBGD CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847559684 JTMJNQWMOLNDTN-CYDGBPFRSA-N 405.879 -0.327 50 20 HBGD CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 728022200 MRMREGYSJWFKNR-QJJZASRKSA-N 404.514 -0.238 50 20 HBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNC(=O)c2cnn[nH]2)c1 729541289 JYDJHLFURGAFPC-UHFFFAOYSA-N 423.455 -0.974 50 20 HBGD C[C@]1(NNC(=O)NCCOc2ccc(S(C)(=O)=O)cc2)CCS(=O)(=O)C1 730067319 XAEGWJRSFPODDE-HNNXBMFYSA-N 405.498 -0.150 50 20 HBGD CC(=O)N1CCN(C(=O)CCNC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CC1 730827857 NSZVJKUMVWMNII-INIZCTEOSA-N 419.438 -0.762 50 20 HBGD C[C@@H]1CN(CCC(=O)NNC(=O)c2ccc(S(=O)(=O)N(C)C)o2)C[C@@H](C)O1 732261560 NHXKLJVJCWOESO-VXGBXAGGSA-N 402.473 -0.210 50 20 HBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc2c(c1)CCN2C(=O)CNC(C)=O 740851709 RPYRDQJFYQJSCX-UHFFFAOYSA-N 417.466 -0.222 50 20 HBGD COCC(=O)N(C)CC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 758075385 GLRNRHYLWHEHAF-UHFFFAOYSA-N 412.468 -0.663 50 20 HBGD Cn1nc(C(=O)NNC(=O)c2ccc(S(N)(=O)=O)nc2)c2ccccc2c1=O 763258474 IKZSGMJSROOBBF-UHFFFAOYSA-N 402.392 -0.949 50 20 HBGD CC(C)COc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cn1 764230448 ILBGEFKJDASPNS-JTQLQIEISA-N 401.445 -0.860 50 20 HBGD CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)C(=O)NNC(=O)CO 764428248 DNBACXXRDKGQBY-UHFFFAOYSA-N 416.456 -0.806 50 20 HBGD CC(C)Oc1cncc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 766636786 OXNDZIQKCVNQSG-UHFFFAOYSA-N 415.410 -0.923 50 20 HBGD CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)O1 774658147 GFIRMUYVCAJMBJ-KBPBESRZSA-N 402.415 -0.758 50 20 HBGD CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NNC(=O)CO)n2C 777781657 FWAMIUHNUPFJIR-UHFFFAOYSA-N 411.484 -0.324 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)c(OCCN(C)C)c1 784000278 UQLQPTZDEKMIDI-UHFFFAOYSA-N 405.455 -0.356 50 20 HBGD COC(=O)CCOc1ccc(S(=O)(=O)NNC(=O)[C@@H]2CCc3nncn3C2)cc1 793450880 PARHVWPQIYBDFK-GFCCVEGCSA-N 423.451 -0.208 50 20 HBGD COc1ccc(C(=O)NNC(=O)CN(C)[C@@H]2CCN(S(C)(=O)=O)C2)cc1OC 794788031 WXLQGSANBYWMEL-CYBMUJFWSA-N 414.484 -0.570 50 20 HBGD CC(=O)N1CCN(C(=O)CCNC(=O)NNc2ccc(-n3ccnc3)nn2)CC1 805087054 LAGCITQIHGOPFH-UHFFFAOYSA-N 401.431 -0.631 50 20 HBGD CNC(=O)COc1cccc(CNC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 918096281 QLYCRDKTRWIVDB-UHFFFAOYSA-N 424.421 -0.069 50 20 HBGD COC(=O)C1(NCC(=O)NNC(=O)c2ccccc2Cl)CCS(=O)(=O)CC1 1116928506 PHSJTAAUDXEWMH-UHFFFAOYSA-N 417.871 -0.189 50 20 HBGD COC(=O)C(=O)NNC(=O)NCCCN(C1CC1)S(=O)(=O)c1cccc(F)c1 1319515156 HDBICEYLKKDPBN-UHFFFAOYSA-N 416.431 -0.128 50 20 HBGD CCOC(=O)N[C@@H](O)C(=O)N1CC[C@]2(CN(C(=O)CCBr)CCO2)C1 1778781574 GBPVNVRUZUCFGV-WFASDCNBSA-N 422.276 -0.334 50 20 HBGD CCOC(=O)N[C@@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)CO[Si](C)(C)C)C2)C1 1779296798 FVEOSSJYIWFCIV-WMLDXEAASA-N 417.535 -0.268 50 20 HBGD COC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781331092 DCOOQXORSKEMDB-YWPYICTPSA-N 424.267 -0.342 50 20 HBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)[C@@H]1CCCO1 1781971075 QPQSMIPGYAZCNR-WAOWUJCRSA-N 416.283 -0.327 50 20 HBGD Cc1ncc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)[nH]1 1784715783 WTOZSRPDKHZLPA-ZVZYQTTQSA-N 412.255 -0.695 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCCCN1C 1793003952 WYAAQVOWPUFJHA-YYAJDYIMSA-N 409.531 -0.567 50 20 HBGD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1)n1ccnc1 1795737658 GYNGRSVRWFKQEM-SCNOPHJPSA-N 412.255 -0.973 50 20 HBGD C[C@H](Br)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)n2[nH]nnc2n1 1796574376 PHEFOYDVINYKNB-QEYWKRMJSA-N 424.259 -0.152 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCCC3)CCO2)C1 1829880297 WHPKIEQRDIXHOS-CRAIPNDOSA-N 403.907 -0.208 50 20 HBGD CCn1nccc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1834410857 AQRFMIIZRCNNBW-RHSMWYFYSA-N 400.863 -0.427 50 20 HBGD O=C(c1cc2ncccn2n1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1836866247 BTECKPUUVPSFBH-KSSFIOAISA-N 423.857 -0.601 50 20 HBGD O=C(c1cc2n(n1)CCC2)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837088829 QADNMLXFJPMPRD-QAPCUYQASA-N 412.874 -0.501 50 20 HBGD CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)nn1C 1838271328 ABTCSWGYANOUMR-MAUKXSAKSA-N 414.890 -0.348 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 1839148941 OHAXWLZGKXAKJO-GLJUWKHASA-N 401.891 -0.014 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(O)[nH]3)C2)C1 1840153088 CIZQOILOJSURST-ZBEGNZNMSA-N 402.835 -0.561 50 20 HBGD Cc1cnc2c(C(=O)N3CC4(CCCN4C(=O)c4ccc(B(O)O)cc4)C3)cnn2c1 1843011438 DBBJPRYNXZHSAQ-UHFFFAOYSA-N 419.250 -0.152 50 20 HBGD O=C(NCC(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1)c1ccco1 1843013593 ZNMUIPNYFFPQDF-UHFFFAOYSA-N 411.223 -0.794 50 20 HBGD Cn1cc(S(N)(=O)=O)cc1C(=O)NNC(=O)c1csc(N2CCOCC2)n1 21438910 SKSMMHIQPUKHRO-UHFFFAOYSA-N 414.469 -0.960 50 20 HBGD C[C@@H](NC(=S)NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1cccs1 726451151 YDLHTYNQWKQBCF-MRVPVSSYSA-N 414.538 -0.111 50 20 HBGD CNS(=O)(=O)c1ccc(C(C)=NNC(=O)CSc2nnc(O)nc2O)cc1 730558341 JUUWPKWLYCIXLE-UHFFFAOYSA-N 412.453 -0.177 50 20 HBGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NNC(=O)c1ccc2c(c1)OCO2 742033282 MKHVXNLNRWGYPR-SNVBAGLBSA-N 423.451 -0.106 50 20 HBGD O=C(NNC(=O)[C@H](c1ccccc1F)N1CCOCC1)N[C@H]1CCS(=O)(=O)C1 742578207 XSZIMQUYXMUNDZ-WFASDCNBSA-N 414.459 -0.284 50 20 HBGD NC(=O)CS(=O)(=O)c1ccc(C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)cc1 742599132 DPHAYWXXVMPHDH-OAHLLOKOSA-N 403.416 -0.290 50 20 HBGD CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NNC(=O)[C@H]1COCCO1 744643461 VNTMACSVUQVLMP-GXSJLCMTSA-N 416.412 -0.398 50 20 HBGD O=C(COC(=O)C[C@H]1C=CS(=O)(=O)C1)NNC(=O)[C@@H]1COc2ccccc2O1 756832564 VRNFPOHMJNQJNU-RISCZKNCSA-N 410.404 -0.535 50 20 HBGD COc1ccc(CN2C[C@H](C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)CC2=O)cc1 758054219 OAAVEQKMNVBSNI-WCQYABFASA-N 412.468 -0.871 50 20 HBGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)n(-c2ccccc2C)n1 764232373 STSBAAPEOVHROZ-LBPRGKRZSA-N 422.467 -0.487 50 20 HBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1 764326912 QUEWVFOJTYJCLD-UHFFFAOYSA-N 408.480 -0.073 50 20 HBGD CCn1nnnc1-c1cccc(NC(=O)C(=O)NNC(=O)[C@@H](C)OCCOC)c1 764397752 BSILCBNAAXDRDS-LLVKDONJSA-N 405.415 -0.503 50 20 HBGD Cc1cc(NC(=O)C(=O)NNC(=O)CO)n([C@H]2CCN(Cc3ccccc3)C2)n1 764428212 CYKVUKMKJCMHFE-HNNXBMFYSA-N 400.439 -0.283 50 20 HBGD COc1cccc([C@H](C)C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 765732487 VTQSOYVHPHZWQD-NSHDSACASA-N 414.422 -0.607 50 20 HBGD CCO[C@@H](C)C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 766636738 TZDFXEMIMISVPT-HNNXBMFYSA-N 412.512 -0.126 50 20 HBGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)c2ccc(S(N)(=O)=O)cc2F)c1 769858416 CDOYJGHJOOLWIA-UHFFFAOYSA-N 420.378 -0.037 50 20 HBGD CS(=O)(=O)N1CCC[C@H]1C(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772897728 LJNUIUIGYSKGML-LBPRGKRZSA-N 402.860 -0.472 50 20 HBGD COc1ccc(NC(=O)NNC(=O)CN(C)C)cc1S(=O)(=O)N1CCOCC1 775446021 SOXFTJGQIKMGBL-UHFFFAOYSA-N 415.472 -0.570 50 20 HBGD O=C(Cc1cn2ccccc2n1)NNC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F 785068084 SQTXBJXYMNCEOS-UHFFFAOYSA-N 423.368 -0.222 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H](NC(=O)OC(C)(C)C)C(F)(F)F 810345854 SXSQSTXJVXDVEY-BQBZGAKWSA-N 406.383 -0.473 50 20 HBGD O=C1C[C@@H](Cc2ccc(NC(=O)NNC(=O)[C@H]3CCc4nncn4C3)cc2)C(=O)N1 814653021 PNELBIUFYWMMFT-QWHCGFSZSA-N 411.422 -0.101 50 20 HBGD O=C(NNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)c1cc(Cl)ccc1O 914831369 XNARTMVCIGSDQW-KOLCDFICSA-N 415.855 -0.158 50 20 HBGD CCNC(=O)N[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2 1779315389 MKZXWTWQNZFQAV-UHQDVWGKSA-N 418.922 -0.192 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)NC=O)C2)C1 1781244184 AHNXWGBQNPJRQE-PZPQDCAKSA-N 418.454 -0.915 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3cncc(O)c3)C2)C1 1783618777 XJIISWJPCKSEET-FQEVSTJZSA-N 411.223 -0.776 50 20 HBGD CC(C)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@H](N)C(N)=O)C[C@@H]21 1783850356 GEBHGMRTJZBWRD-XUXIUFHCSA-N 402.923 -0.176 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)c1cnn2ccncc12 1788031970 CTNBQUXKFOQUSJ-YUDUHTQSSA-N 407.858 -0.078 50 20 HBGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1791251418 FVDPPYVEZQNXLJ-HJWJTTGWSA-N 424.690 -0.787 50 20 HBGD CCOC(=O)N[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)CCl)C2 1797583065 MOHIETDFDGRAHM-OPDFLTKYSA-N 405.879 -0.095 50 20 HBGD CNC(=O)CC(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1803476553 NKSVQHGAUMUSNG-OXQOHEQNSA-N 424.266 -0.783 50 20 HBGD O=C(c1nc2ccccn2n1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830723930 UWMDSRZWQSRUHN-FZKQIMNGSA-N 423.857 -0.601 50 20 HBGD Cc1noc(C)c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830724854 ISQUVSGUFLMQSJ-DYVFJYSZSA-N 401.847 -0.039 50 20 HBGD CC[C@H](O)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1833257018 XFBLQHVBRMIESL-IBGZPJMESA-N 417.315 -0.678 50 20 HBGD O=C(c1cccc(F)n1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837902046 CPGBHZWFPQIJIC-SUMWQHHRSA-N 401.822 -0.110 50 20 HBGD CC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)Br)CCO2)C1 1840035654 YXCNAJFNGXIGIK-XHBSWPGZSA-N 420.304 -0.249 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cncnc3)C2)C1 1840151214 XTMOEBLOSUSKSL-YJBOKZPZSA-N 412.874 -0.271 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=S)NCCc2cccs2)n(C)c1=O 11419253 VAQUMAXDKKQNJP-UHFFFAOYSA-N 421.508 -0.767 50 20 HBGD C[C@@H](CC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1 729339845 BXVRQLABKJTYAD-CMPLNLGQSA-N 421.472 -0.105 50 20 HBGD CN(CCCC(=O)NNC(=O)C(=O)N1CCCC1)C1=NS(=O)(=O)c2ccccc21 742059326 KFJYKSKKXGVNIB-UHFFFAOYSA-N 421.479 -0.383 50 20 HBGD COCCCNC(=O)NNC(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1 746167711 XKGBNUVCELPYGV-UHFFFAOYSA-N 421.501 -0.971 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccccc1CN1C(=O)CCC1=O 756220775 KHIFVIOMIKFWRH-JTQLQIEISA-N 411.440 -0.574 50 20 HBGD CCOc1cc(C(=O)N(C)C)ccc1NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 756869489 WQSVVBJLVCDQTH-SNVBAGLBSA-N 415.472 -0.123 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1csc(CNC(=O)OC(C)(C)C)n1 758047251 KJSZMJHAHDYFKO-MRVPVSSYSA-N 421.501 -0.134 50 20 HBGD CCC(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 763441292 IUWVXIVLXXDMMG-TXEJJXNPSA-N 412.468 -0.020 50 20 HBGD CC(C)CC(=O)NNC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 763889068 VVNMPIVLYYPEDB-STQMWFEESA-N 408.459 -0.349 50 20 HBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 764210785 HVWARAFVNQDCQL-KGENOOAVSA-N 424.483 -0.853 50 20 HBGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccccc1CN1CCOCC1 764399775 LSMZPCPXSWWBNK-AWEZNQCLSA-N 408.455 -0.344 50 20 HBGD C=CCOCC(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 766636174 LQWOSSBTYZOSKP-UHFFFAOYSA-N 410.496 -0.349 50 20 HBGD O=C(NNc1ncccn1)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 773724208 MJASDFLZMBUCNF-HNNXBMFYSA-N 412.406 -0.427 50 20 HBGD CCOC(=O)c1ccc(C)c(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 788749066 REKUZSIBILUUKX-JTQLQIEISA-N 407.470 -0.581 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)cc1 801108180 HVADZOHMZLMJOM-UHFFFAOYSA-N 412.406 -0.716 50 20 HBGD COc1cc(C(=O)NNC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)cc(OC)c1OC 816814279 MTPLBMHLLUYGSP-JTQLQIEISA-N 416.456 -0.611 50 20 HBGD CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@@H]1CCc2nncn2C1 816873051 WXRJJPAEUMVNSJ-PWSUYJOCSA-N 410.431 -0.556 50 20 HBGD O=C(CCCNC(=O)c1ccc(F)cc1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919889239 WLOJNLHPNCHVOQ-ZDUSSCGKSA-N 400.432 -0.147 50 20 HBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN(CCO)CCO)C2)[C@@H](F)Cl 1778030875 ZNGXBEWGSPSBRW-FRFSOERESA-N 409.886 -0.679 50 20 HBGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)[C@H](Cl)COC)CCO2)C1 1778789228 APNCOWKSGFHHGK-XHBSWPGZSA-N 407.851 -0.865 50 20 HBGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1 1782746169 YLOLRSRZEMRYTC-PXAZEXFGSA-N 403.863 -0.233 50 20 HBGD Cc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)o1 1784659290 BIGAHFGPEADCFP-OAQYLSRUSA-N 412.251 -0.046 50 20 HBGD COC[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786980054 DCOVJGCTEJYPIX-KCMWZYNZSA-N 404.272 -0.758 50 20 HBGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@](C)(O)CC(=O)O)C[C@@H]21 1791257344 BEYOVPQVWAQALT-BXTPVMGZSA-N 420.890 -0.164 50 20 HBGD COc1ccnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)c1OC 1792978535 GAAQEXCKUDPJCS-GFQSEFKGSA-N 413.858 -0.098 50 20 HBGD CC(C)(C)OC(=O)N[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792979704 BJNZPMIGVJTJRH-CYRBOEJBSA-N 421.878 -0.981 50 20 HBGD COC[C@@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(=O)n3[nH]cnc3n1)C2 1802277751 XRYTXXLOGAYRFP-WRWGMCAJSA-N 408.846 -0.077 50 20 HBGD COC(OC)C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809967344 DTHIZMZBDRDLFI-UHFFFAOYSA-N 404.272 -0.170 50 20 HBGD NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1812629479 ZDOBIABNXKQFSZ-OXJNMPFZSA-N 424.266 -0.654 50 20 HBGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](O)CCl)CC2)c1cccc(B(O)O)c1 1815350604 ZSNLRHXNKNKGBQ-YPMHNXCESA-N 423.687 -0.352 50 20 HBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2C=CCN2)[nH]n1)c1ccc(B(O)O)cc1 1817471151 BHUOGBFKICADBR-RDJZCZTQSA-N 409.255 -0.077 50 20 HBGD CC(C)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1830363525 AFAOUTHZYHANKE-DEYYWGMASA-N 403.907 -0.569 50 20 HBGD CC[C@H](NC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1835052505 BNZSMUWVKJFJCJ-LSDHHAIUSA-N 417.938 -0.395 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CS(C)(=O)=O)CCO2 1835257105 UXXLDUDZJHVYRX-MRXNPFEDSA-N 422.576 -0.661 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCOCC3)CCO2)C1 1835397596 UHHICTBMNCRIKF-CRAIPNDOSA-N 419.906 -0.971 50 20 HBGD CCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839852785 KODWJMOFWJHHKJ-NRFANRHFSA-N 418.299 -0.127 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C3(F)CC3)C2)C1 1840185982 VEYXWVZCSAQSOY-QGZVFWFLSA-N 400.451 -0.682 50 20 HBGD CC/C=C(\C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840629793 LEMZNRMJHQLQPU-WHMRNBQXSA-N 416.283 -0.207 50 20 HBGD CCn1nc(C(=O)NNC(=O)Cn2cnc3c(cnn3C)c2=O)c2ccccc2c1=O 14346579 BHYSJMOFAVLRAR-UHFFFAOYSA-N 422.405 -0.679 50 20 HBGD CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 728461258 VGFWSSAVJURQIS-DOMZBBRYSA-N 422.463 -0.234 50 20 HBGD COc1ccc(CCC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c(OC)c1OC 729276263 AHFAAFHZIPBHTB-SNVBAGLBSA-N 403.457 -0.270 50 20 HBGD CC[C@]1(C)NC(=O)N(CC(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)C1=O 744460067 PHVBWNZDVPKQIP-SFHVURJKSA-N 401.379 -0.417 50 20 HBGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)n1 751680404 SUJISLLEZCPVPR-JTQLQIEISA-N 406.424 -0.539 50 20 HBGD C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 755039029 PCIFWLLHWQIRKA-QMTHXVAHSA-N 409.424 -0.926 50 20 HBGD NC(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)[C@@H]1COCCO1 760166164 FJNUUEZXWLXMTL-KGLIPLIRSA-N 408.411 -0.890 50 20 HBGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 760440230 SXBPEJKOJJVCIC-UOVKNHIHSA-N 406.439 -0.144 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccnc1Oc1ccccc1 764228550 YCVQLIKVGCIJTE-NSHDSACASA-N 421.435 -0.103 50 20 HBGD O=C(NCC1(N2CCOCC2)CC1)NNC(=O)c1csc(N2CCOCC2)n1 764758020 QGUFKLOINXRWNJ-UHFFFAOYSA-N 410.500 -0.212 50 20 HBGD O=C(COC(=O)[C@@H]1CCCCS1(=O)=O)NNC(=O)[C@H]1COc2ccccc2O1 772417184 URGSMBSAVQIFAO-KGLIPLIRSA-N 412.420 -0.516 50 20 HBGD Cc1cc(Br)cc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 777144667 XRYHJVAJDXKIFO-MRVPVSSYSA-N 421.273 -0.219 50 20 HBGD Cn1nccc1[C@H]1CCCC(=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1 790294608 VCLHLWHQBYCYHV-LBPRGKRZSA-N 412.454 -0.003 50 20 HBGD COC(=O)c1c(C)csc1NC(=O)C(=O)NNC(=O)CNC(=O)c1ccco1 807003943 CJVNOMJRSUVREQ-UHFFFAOYSA-N 408.392 -0.048 50 20 HBGD Cn1c(=O)c2ccc(C(=O)NNC(=O)[C@H]3COc4ccccc4O3)nc2n(C)c1=O 914084233 ZHJIOQQPEPZZQR-CQSZACIVSA-N 411.374 -0.767 50 20 HBGD CC1(C)C(=O)Nc2ccc(S(=O)(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)cc21 1332162331 UYHACBAULVCJRF-VIFPVBQESA-N 401.466 -0.340 50 20 HBGD Cc1nc[nH]c1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779029853 ANLBOUCFIKLSQS-LJQANCHMSA-N 413.438 -0.526 50 20 HBGD O=C(CN1C(=O)CNC1=O)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781325232 AVROFBATXHRACD-BXUZGUMPSA-N 421.223 -0.941 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCCS3)C2)C1 1784792485 XVVNAMWAQFBDGZ-LPHOPBHVSA-N 404.297 -0.295 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Cl)C[C@@H]21)c1cc(=O)n2[nH]cnc2n1 1786976369 AXSDIVGZCLXNMH-LKAMGYQZSA-N 412.809 -0.455 50 20 HBGD CN(C)C(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2 1792625579 MTZOOIFTLCHGQO-GNXNZQSNSA-N 405.293 -0.368 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccc(F)cn1 1794919101 FTRQTIVZUIAHOT-ZSBFGKGUSA-N 413.214 -0.583 50 20 HBGD CC(C)(C)OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795737272 NNCYRTYSLVABHC-JLVBRIDZSA-N 404.272 -0.615 50 20 HBGD COC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797748308 PUBMKCAAUVMPJC-JJLQDPRZSA-N 405.455 -0.687 50 20 HBGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CSc1nc[nH]n1)C2 1802340044 ZDFAORTUPAFKSO-CLLJXQQHSA-N 409.516 -0.092 50 20 HBGD O=C(CC(F)(F)C(=O)O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830727911 KMDBRQOSUXZXEM-IINYFYTJSA-N 414.789 -0.848 50 20 HBGD O=C(NC1CCN(C2CCN(C(=O)[C@H]3C[C@H]3F)CC2)CC1)c1cccc(B(O)O)c1 1834801023 HBFBIACWFGNUAA-RBUKOAKNSA-N 417.290 -0.090 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1837715338 LJAOGKNUSZPGBR-SFHVURJKSA-N 424.530 -0.309 50 20 HBGD O=C(c1cc2cccnn2n1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1838421826 HIAOKQYECATFSK-CRAIPNDOSA-N 423.857 -0.601 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(C)=O)C2)C1 1840155404 AVNNRSXQHGKSRQ-RHSMWYFYSA-N 405.879 -0.777 50 20 HBGD C[Si](C)(C)OCC(=O)N1CC2(CCCN2C(=O)CN2CCS(=O)(=O)CC2)C1 1841894241 DEBISXFXRVBHIS-UHFFFAOYSA-N 417.604 -0.228 50 20 HBGD Cc1nc(N)sc1C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010972 AXIRZVUCQSGBRO-UHFFFAOYSA-N 400.269 -0.156 50 20 HBGD CC(C)n1cnc(C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)n1 1843536336 DHYMQFMGCKDZPA-UHFFFAOYSA-N 412.454 -0.012 50 20 HBGD NS(=O)(=O)c1ccc(CC(=O)NNC(=O)CNC(=O)c2cccs2)s1 725740541 FLZCJHJUQXJMBU-UHFFFAOYSA-N 402.479 -0.423 50 20 HBGD C[C@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)N1CCN(C)CC1 725878725 OOYPFGQONXBWLO-OAHLLOKOSA-N 423.539 -0.132 50 20 HBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@@H]1CCCN1C(=O)OCC(F)(F)F 727786421 PNWCBFIAEFAGHG-IUCAKERBSA-N 401.363 -0.268 50 20 HBGD C[C@H](NC(=S)NNC(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21)C1CC1 751620650 XMSWFHXGMNGUPO-QMMMGPOBSA-N 413.481 -0.464 50 20 HBGD NS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(F)cc2)cc1 756163889 KTNOQZUBEVTQMG-UHFFFAOYSA-N 410.383 -0.362 50 20 HBGD CSc1cccc(N2C[C@@H](C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)CC2=O)c1 758035946 OPPREARLCYUXBI-MNOVXSKESA-N 414.509 -0.154 50 20 HBGD N#Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)cc1 763682199 SKDFHCBGZLYDIH-UHFFFAOYSA-N 406.362 -0.301 50 20 HBGD CCc1ccc(NC(=O)C(=O)NNC(=O)Cn2nc(C)cc2C)cc1S(N)(=O)=O 763885472 MKWGWQAUSPVYIA-UHFFFAOYSA-N 422.467 -0.504 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCCN2C(=O)CCC2=O)c1 915635869 SXJICXKAKVRQCU-UHFFFAOYSA-N 410.452 -0.373 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ncccn4n3)C[C@@H]21)[C@@H](O)CCl 1784090407 DUQAPFAAHRTOMU-CYDGBPFRSA-N 408.846 -0.683 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccn4c(O)nnc34)C[C@@H]21)[C@H](O)CCl 1784090886 PZBCQESBMGLURK-DEQVHRJGSA-N 423.857 -0.372 50 20 HBGD CN[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21)C(=O)O 1786897551 LYFZGAXITYISDS-XGZQDADWSA-N 424.267 -0.281 50 20 HBGD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]2C1)n1cnnn1 1789927037 OFXFNQMGLVAAJT-UHFZAUJKSA-N 419.255 -0.096 50 20 HBGD CCOC(=O)/C=C/C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1795467526 KUKVDQJBSYUZOE-RFVJJRFUSA-N 400.240 -0.263 50 20 HBGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801012643 DLEGERUACDTTCO-MCYUEQNJSA-N 419.320 -0.268 50 20 HBGD COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)nn1C 1838832406 YJOMDCTVSPCCQO-GUYCJALGSA-N 416.862 -0.902 50 20 HBGD O=C(CCNS(=O)(=O)c1ccccc1F)NNC(=O)[C@@H]1CCS(=O)(=O)C1 728371086 ZTJJGNSPXOPLCQ-SNVBAGLBSA-N 407.445 -0.924 50 20 HBGD COC(=O)CSCCNC(=O)NNC(=O)c1csc(N2CCOCC2)n1 729855415 AETGJZULMQOPPM-UHFFFAOYSA-N 403.486 -0.170 50 20 HBGD CCN1CCC[C@H]1CN1C[C@@H](C(=O)NNC(=O)CNC(=O)c2cccs2)CC1=O 733146196 ZVJHHDUBGIPHFW-KBPBESRZSA-N 421.523 -0.042 50 20 HBGD C[C@@H](C(=O)NNC(=O)COc1ccccc1O)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 746235333 TVLGUWAANNVKFM-LRZXTXFSSA-N 403.391 -0.531 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2cccc(F)c2F)n(C)c1=O 756254583 VEAGEXCMMFHRBG-UHFFFAOYSA-N 407.337 -0.435 50 20 HBGD C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O 763850881 BNCNELCPMZVKFB-NEPJUHHUSA-N 422.463 -0.452 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@@H]2C[C@]23CCc2ccccc23)n(C)c1=O 765727770 MXSCZQGTDRBUMP-QKKBWIMNSA-N 422.445 -0.515 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cocn3)CC2)cc1 766635623 BELJSKUZVYJXEP-UHFFFAOYSA-N 407.452 -0.249 50 20 HBGD CC[C@H](C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1c(C)noc1C 766646202 XMMIJKHPDYIJRL-NSHDSACASA-N 417.426 -0.620 50 20 HBGD C[C@@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)NNC(=O)c2cnn[nH]2)C1=O 771320310 BZHNLNIZRYFKPG-HNNXBMFYSA-N 409.765 -0.175 50 20 HBGD CCn1nc(C(=O)NNC(=O)CCC[C@@]2(C)NC(=O)NC2=O)c2ccccc2c1=O 772705400 FYZXAMAOOFUMEW-LJQANCHMSA-N 414.422 -0.054 50 20 HBGD COc1ccc(C(=O)N2CCC[C@@H]2C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 798362785 KUTLTBLJCSRLBC-DZGCQCFKSA-N 409.464 -0.118 50 20 HBGD CC(C)(C)n1ncc2c(O)nc(NNC(=O)NC3CC(NS(C)(=O)=O)C3)nc21 802418672 HKBQVEXSEUICRI-UHFFFAOYSA-N 412.476 -0.007 50 20 HBGD CNS(=O)(=O)c1ccc(CC(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)cc1 1320166477 KRGWSIIDSJTHKH-KBPBESRZSA-N 412.512 -0.216 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1779097249 PATKVDZBGFNCDL-XOKHGSTOSA-N 424.325 -0.297 50 20 HBGD O=C(c1nc2ccc(F)cn2n1)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1782566330 XRWHIOXXMOZOMI-SJKOYZFVSA-N 411.821 -0.088 50 20 HBGD CN(CC(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2)C(=O)C(=O)O 1782744741 FEYFRTNAXVLDAZ-QGZVFWFLSA-N 403.863 -0.376 50 20 HBGD COC[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786983517 RAUPKPZNAPBNCH-KCMWZYNZSA-N 404.272 -0.758 50 20 HBGD CN(CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(Cl)Cl)C[C@@H]21)C(=O)C(=O)O 1790637185 PLQKLVXWGAJDCA-GUBZILKMSA-N 410.254 -0.687 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCCS1(=O)=O)c1ccc(B(O)O)cc1 1801514998 LUIWTIJUZFKDCO-YVSFHVDLSA-N 420.296 -0.805 50 20 HBGD CN1CC(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)C1 1813608041 NJNAQSUPUOMLFK-FXAWDEMLSA-N 422.294 -0.357 50 20 HBGD CC(=O)c1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)n[nH]1 1830726534 ZCEAXJHRIPYDRV-PBHICJAKSA-N 414.846 -0.718 50 20 HBGD Cn1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CO[Si](C)(C)C)C3)C2)n1 1833881338 QTEXNUIJRFCJCR-QGZVFWFLSA-N 411.535 -0.263 50 20 HBGD CC(C)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CCC(=O)N3)CCO2)C1 1835301888 HGLMKSDYNLCAGS-ACJLOTCBSA-N 401.891 -0.014 50 20 HBGD CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)CC1 1835935610 VOSOAQGFYNYZDY-HXUWFJFHSA-N 402.256 -0.764 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cncn3)C2)C1 1839152130 ORCOYOUGGNZBQP-HZPDHXFCSA-N 420.297 -0.029 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)no3)C2)C1 1840153469 PMILDSHVADLAJZ-BDJLRTHQSA-N 403.819 -0.296 50 20 HBGD C[C@H](CBr)C(=O)N1CC2(CCCN2C(=O)CN(C)C(=O)C(=O)O)C1 1845808498 AKWLFEDLLHRSTN-SNVBAGLBSA-N 404.261 -0.236 50 20 HBGD CS(=O)(=O)Nc1ccc(CNC(=O)NNC(=O)CNC(=O)c2ccco2)cc1 725870430 HUKWMGYMHUWRMY-UHFFFAOYSA-N 409.424 -0.089 50 20 HBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CN2CC(=O)NC2=O)c1 732257958 BNNLFNZGNMPASP-UHFFFAOYSA-N 411.440 -0.970 50 20 HBGD COc1ccccc1-n1cc(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cn1 743257946 SBJUMOFJBHRNRD-SNVBAGLBSA-N 417.469 -0.872 50 20 HBGD CCN(CC)c1ccnc(NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)n1 762906375 HVWUKWJKDVTUMC-UHFFFAOYSA-N 401.431 -0.787 50 20 HBGD CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)NNC(=O)CN(C)C)c1 764211864 LTZKOBXMZSGEKO-LBPRGKRZSA-N 413.500 -0.448 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)COCc2ccccc2)cc1S(N)(=O)=O 764365848 FDNDGPLTVWUZFP-UHFFFAOYSA-N 420.447 -0.055 50 20 HBGD CC(C)N1CCN(c2cccc(NC(=O)C(=O)NNC(=O)[C@@H]3COCCO3)c2)CC1 764426598 VJRRVXKUSRBRJQ-KRWDZBQOSA-N 419.482 -0.282 50 20 HBGD Cc1cccc(OCCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 765724982 MYBMGSZUIFFROC-UHFFFAOYSA-N 414.422 -0.641 50 20 HBGD COCCO[C@H](C)C(=O)NNC(=O)NCCN(C)S(=O)(=O)c1ccc(F)cc1 798118171 IYKCJRZHERDIGX-GFCCVEGCSA-N 420.463 -0.172 50 20 HBGD CCOC(C)(OCC)C(=O)NNC(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 811399826 QSPLYLYVBRPYJU-UHFFFAOYSA-N 413.456 -0.222 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)Cn2nnc3c2CCCC3)c1 816810409 LAQIMUPTCHLJGD-UHFFFAOYSA-N 406.468 -0.132 50 20 HBGD Cc1cc(=O)c(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)nn1-c1ccccc1 1115889576 ZWTCESQKYLFENJ-GFCCVEGCSA-N 405.436 -0.328 50 20 HBGD CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1CC[C@@H](B(O)O)C1)n2C 1351730304 WALMNZIPSJJYEI-GFCCVEGCSA-N 408.289 -0.169 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(Cl)nn3)C2)C1 1779432343 CTNADPXRNFUQGP-GOSISDBHSA-N 424.889 -0.054 50 20 HBGD CCc1cc(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)no1 1779695122 ZXPZIMOYHXQYAT-FQEVSTJZSA-N 413.239 -0.326 50 20 HBGD C[C@H](Cn1ccnc1)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783937046 DXFUUULVFOWWKR-UZLBHIALSA-N 420.514 -0.278 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc4ncnn4c3)C[C@@H]21)[C@H](O)CCl 1784092670 LUZHZIFCYVDLFX-JONQDZQNSA-N 421.885 -0.149 50 20 HBGD Cc1cc(NC(=O)CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)no1 1792978121 DMDLAGVUMAKEJH-AZKPJATDSA-N 414.846 -0.499 50 20 HBGD Cc1ncsc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795737535 SGNDIUIVDSRKJF-MIFYACCESA-N 415.280 -0.352 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC1(F)F 1797158920 DTNFHRYQGIICMI-RDBQEKCUSA-N 409.393 -0.457 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cnn2c1CCC2 1799964260 WZCMICDMAFHIRQ-CCWDJLKJSA-N 424.266 -0.974 50 20 HBGD CCOC(=O)C1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)CC1 1800368112 KVBZQWIDSDTISN-XOIINTDNSA-N 424.498 -0.708 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2 1801013370 RBVAYXFLZJERLA-DRXBFXEBSA-N 419.320 -0.266 50 20 HBGD O=C(N[C@H]1CCc2nc(NC(=O)[C@@H]3C=CCN3)sc2C1)c1ccc(B(O)O)cc1 1817000439 YQOJDKSIKSHGKV-ZFWWWQNUSA-N 412.280 -0.423 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)N(C)C)C2)C1 1839141321 DXNMHYZYWHLWBV-DYVFJYSZSA-N 404.895 -0.269 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1nccn1)CCO2 1839236591 IAJCVDXABYULQJ-KRWDZBQOSA-N 411.535 -0.414 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(C)=O)CCO2)C1 1839886129 JYVUETMQIPSUQW-WMLDXEAASA-N 405.879 -0.777 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]nnc3C)C2)C1 1840151632 IWLBDMDLNKCVNC-WBMJQRKESA-N 401.851 -0.563 50 20 HBGD COc1ccc(OCCCS(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 727353877 ZVXJPWWXWBXNRD-GFCCVEGCSA-N 406.482 -0.151 50 20 HBGD COc1ccc(C)cc1N1C[C@@H](C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)CC1=O 729275309 NAHNJMGWLMRANE-RYUDHWBXSA-N 412.468 -0.558 50 20 HBGD COc1ccc(C(=O)NNC(=O)NNC(=O)CNC(=O)c2ccco2)c(OC)c1 730025449 MHLQCFZZBGYACT-UHFFFAOYSA-N 405.367 -0.298 50 20 HBGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)CNS(=O)(=O)c2cccs2)cc1 744704814 DARRSNIKBQRVQG-UHFFFAOYSA-N 422.444 -0.098 50 20 HBGD C[C@]1(C2CCN(CC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)CC2)NC(=O)NC1=O 752301629 QXIGNAATCQZCLR-GOSISDBHSA-N 418.410 -0.334 50 20 HBGD COC(=O)COc1c(C)cc(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1C 752514364 ITRRSTUMCUEEAC-ZDUSSCGKSA-N 413.452 -0.014 50 20 HBGD Cc1cc(C)n(CC(=O)NNC(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)n1 756835504 NKCSXRGDMWZUFL-UHFFFAOYSA-N 404.431 -0.592 50 20 HBGD Cc1cc(F)cc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 757733212 RGKCPEDBRDXTRI-UHFFFAOYSA-N 403.374 -0.266 50 20 HBGD CN1C(=O)c2ccc(NC(=O)C(=O)NNC(=O)[C@@H]3COc4ccccc4O3)cc2C1=O 763570878 JNQVOQUKKFRBMV-HNNXBMFYSA-N 424.369 -0.162 50 20 HBGD C[C@H](CNC(=O)C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1)S(N)(=O)=O 763593274 ANBQFHNRWKBFJC-LLVKDONJSA-N 414.484 -0.697 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccccc1Br 764231019 LNDWWEITPFIECT-SSDOTTSWSA-N 407.246 -0.527 50 20 HBGD O=C(Cn1ccc2ccccc21)NNC(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 764239076 DITPVHGQADVGDH-UHFFFAOYSA-N 423.433 -0.098 50 20 HBGD O=C(NNC(=O)[C@H]1CC(=O)N(c2c(F)cccc2F)C1)N[C@H]1CCS(=O)(=O)C1 770706443 RADWLYIQCMWAFC-UWVGGRQHSA-N 416.406 -0.165 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O 784263510 PFXVRSTYJKGOLB-AWEZNQCLSA-N 414.422 -0.074 50 20 HBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)C=CC1=O)C2)[C@H](F)Cl 1778029273 INMSRBWDAOTRIE-XQAQDONZSA-N 401.822 -0.040 50 20 HBGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1781042386 WYJHMXLGCMFWGG-WFGGJUAMSA-N 404.305 -0.430 50 20 HBGD CCC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)CCC(N)=O)C[C@@H]21 1784615719 PTHZVBNWLSRUQT-YTFOTSKYSA-N 402.923 -0.034 50 20 HBGD N#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1786704577 YUUCVTIQEQDDNY-RCBQFDQVSA-N 400.439 -0.418 50 20 HBGD CCn1nccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791288589 IUIGOHYZXIYZPN-ZOBUZTSGSA-N 420.514 -0.131 50 20 HBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSCC(=O)OC 1793365243 RDUTZBCRNUYHHS-OXIQGZBJSA-N 408.904 -0.264 50 20 HBGD Cc1noc(C)c1CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1793886931 JEEHJBKYLYXUKV-YVWYUNDQSA-N 421.498 -0.203 50 20 HBGD O=C(CCBr)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCOC1=O)C2 1795113275 TUMKOWACJXXUHE-GNXNZQSNSA-N 404.261 -0.187 50 20 HBGD C[C@H](NC(=O)c1cnccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Cl 1796366680 YQOCOXAQAASRSU-ZCURGHERSA-N 413.837 -0.281 50 20 HBGD O=C(CN1C(=O)C=CC1=O)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1 1813174194 BBGPSFVXSCRPTN-SUNYJGFJSA-N 420.853 -0.388 50 20 HBGD CN1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)C1 1822999508 NYSNJSFMSVEWSP-KRWDZBQOSA-N 411.271 -0.043 50 20 HBGD NC(=O)CC[C@H](N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](O)CCl)CC1 1826817658 INQDVENFSIWKDM-KKUMJFAQSA-N 402.923 -0.201 50 20 HBGD COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)n(C)n1 1830724288 DYIGUWVPPDWHEX-GUYCJALGSA-N 416.862 -0.902 50 20 HBGD Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)n(C)n1 1830725713 RIUDSYQCKCCPGJ-RHSMWYFYSA-N 400.863 -0.602 50 20 HBGD O=C([C@H](F)Br)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839198455 DTJKPVNOLQTRKF-OUJBWJOFSA-N 417.659 -0.267 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)CC(F)(F)F)C2)C1 1840183825 BZCJMZGYKCFIDE-MRXNPFEDSA-N 424.420 -0.232 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)n1)C2 1844264137 JEJVRJDPWRWLEV-UHFFFAOYSA-N 413.394 -0.983 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1cnn3ccncc13)C2 1844264326 GLERIOLKKRVFMY-UHFFFAOYSA-N 420.433 -0.141 50 20 HBGD COc1cc(CNC(=O)NNC(=O)CNC(=O)c2ccco2)ccc1OCCO 725871351 ASEDLKKNTVMAFS-UHFFFAOYSA-N 406.395 -0.080 50 20 HBGD C[C@H](C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1)N1C(=O)CCC1=O 728327441 LBJWQMATTGQHEX-ZWNOBZJWSA-N 405.363 -0.946 50 20 HBGD O=C(CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)NNC(=O)C1CC1 733193155 FWEFWEBMJIJCNX-UHFFFAOYSA-N 411.440 -0.542 50 20 HBGD CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)o1 734240183 KSDMEFVWRVZOQY-UHFFFAOYSA-N 419.460 -0.001 50 20 HBGD Cc1cccc(N2CCN(S(=O)(=O)CC(=O)NNC(=O)c3cnn(C)c3)CC2)c1 735445849 CJTXRDGAZAXHEB-UHFFFAOYSA-N 420.495 -0.358 50 20 HBGD COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CCN(C(C)(C)C(N)=O)CC1 746489242 DBXMTZAMLFYFLQ-UHFFFAOYSA-N 411.890 -0.009 50 20 HBGD NC(=O)CS(=O)(=O)c1ccc(C(=O)NNC(=O)Cc2cn3ccccc3n2)cc1 746636541 COSOBNSUORNOJZ-UHFFFAOYSA-N 415.431 -0.403 50 20 HBGD Cn1nc(C(=O)NNC(=O)c2cccc(CS(N)(=O)=O)c2)c2ccccc2c1=O 749399000 DAIAQZZWVUXZFJ-UHFFFAOYSA-N 415.431 -0.203 50 20 HBGD CS(=O)(=O)N1CC[C@H](CNC(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])C1 753668921 IFUAHWUJBPMVEZ-LLVKDONJSA-N 415.428 -0.415 50 20 HBGD COc1cccc(C(=O)NNC(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)c1O 756836897 YNGZSKZSJGMELO-UHFFFAOYSA-N 418.410 -0.077 50 20 HBGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)N1C[C@@H](C(=O)OC)Oc2ccccc21 764401361 VTPKOLKVXYITMV-FZMZJTMJSA-N 409.395 -0.848 50 20 HBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)Cn1cccn1 765863356 OUPQHNVWAHBXGY-UHFFFAOYSA-N 421.479 -0.316 50 20 HBGD CC(=O)N1CC[C@@](C)(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)C1 766641576 HJHRIBSVGPUQPY-OAQYLSRUSA-N 415.494 -0.150 50 20 HBGD COCCn1ccc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)n1 784327547 VFIIJLXLCOTVLX-OAHLLOKOSA-N 404.379 -0.326 50 20 HBGD C[C@@H](Cc1ccccc1)NC(=S)NNC(=O)CSc1nn(C)c(=O)n(C)c1=O 786062328 RWDDWNDNQJGEKM-NSHDSACASA-N 422.536 -0.302 50 20 HBGD NC(=O)c1cc(Cl)cc(S(=O)(=O)NNC(=O)CNC(=O)c2ccco2)c1 799122210 URYJKEVDSCTFQO-UHFFFAOYSA-N 400.800 -0.229 50 20 HBGD CC(=O)N1CCCc2cc(S(=O)(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)ccc21 1317808432 APGAQGWSTUHGSX-CYBMUJFWSA-N 415.493 -0.270 50 20 HBGD Cn1nc(SCC(=O)NN=C2CCC[C@@H](S(C)(=O)=O)C2)c(=O)n(C)c1=O 1320980424 COOXFMZNVTXXFI-SNVBAGLBSA-N 403.486 -0.970 50 20 HBGD O=C(NNC(=O)C1(S(=O)(=O)c2ccccc2)CC1)N[C@H]1CCS(=O)(=O)C1 1322599373 DTFPDADSLWILEB-NSHDSACASA-N 401.466 -0.490 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CNC(=O)C2)C1 1781780156 QLMYTQAMSULWRA-HNSFDTNUSA-N 401.891 -0.110 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCCC3)[C@H]2C1 1783591120 SGKRFHYASVQZRK-ULQDDVLXSA-N 409.531 -0.565 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)COc3cccnn3)C2)C1 1784460316 KIHRYZRTKRAMRS-IBGZPJMESA-N 420.470 -0.942 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)[C@@H]1C[C@]1(F)Cl 1791366340 AVNZUIRNGKYOQS-DOQDNZIXSA-N 424.665 -0.116 50 20 HBGD CS(=O)(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796190657 VMDWXRCYRUPWHL-MUJYYYPQSA-N 408.285 -0.947 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)nc3cccnn13)C2)[C@H](F)Cl 1796366260 OUZYZQJTLPDCPD-OWLDWWDNSA-N 409.805 -0.173 50 20 HBGD CC(=O)N1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](F)Cl)C3)CC1 1797306519 JMNINHASFSPYDF-XRGAULLZSA-N 404.870 -0.726 50 20 HBGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSCC(=O)OC)C2 1800971287 ULXWGCOFXHKHOC-NWJSVONSSA-N 408.904 -0.264 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[C@H]1C[C@@]1(F)Cl 1801091599 UQLSEKHFNUKYGR-BXPDPKNNSA-N 410.638 -0.506 50 20 HBGD CN(CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](F)Br)C2)C(=O)C(=O)O 1801330461 GZLDQTYZIQCBPK-DKIAZLNASA-N 408.224 -0.142 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCC2(CCCN(C(=O)c3cc(O)n[nH]3)C2)CC1 1809904122 DXFBOBFECLFDSE-UHFFFAOYSA-N 412.255 -0.046 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)CNC(N)=O)[C@@H]1c1cccnc1 1814229813 DPPWGBCOURCHCG-KSSFIOAISA-N 419.486 -0.871 50 20 HBGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)C(=O)N(C)C)[nH]n1 1822413025 MXRBLOZXKBBGGR-CYBMUJFWSA-N 407.475 -0.137 50 20 HBGD O=C(Cc1ccc(F)cn1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830723574 PXXXJQBOOYDHMU-YJBOKZPZSA-N 415.849 -0.181 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CC(F)(F)F)CCO2 1835338801 VQOHFGMAHAABFV-MRXNPFEDSA-N 424.420 -0.232 50 20 HBGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839966961 VHGDRNXNQGSTGV-BLLLJJGKSA-N 417.256 -0.296 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccncc3)C2)C1 1840183673 SUKGCQPWDGSBHM-HXUWFJFHSA-N 419.482 -0.475 50 20 HBGD COc1ccc(NCC(=O)NNC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)cc1 105922610 DVSMTPPAVNBRCD-UHFFFAOYSA-N 412.406 -0.486 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)CN1C(=O)c2ccccc2S1(=O)=O 725741441 RDPOMDYVRUHYLL-UHFFFAOYSA-N 406.376 -0.999 50 20 HBGD CC(=O)N1CCN(C(=O)CCNC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 737064635 JCIUJYOHDNBSMH-UHFFFAOYSA-N 406.399 -0.380 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H](c1ccccc1F)N1CCOCC1 758039125 HPSZQCZTDHSVNB-RISCZKNCSA-N 402.448 -0.716 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CO[C@H]1CCCN(C(=O)OC(C)(C)C)C1 758048233 QZGPHRSOPGBGHI-NEPJUHHUSA-N 422.504 -0.512 50 20 HBGD CN(C)CCn1ccc(NC(=O)C(=O)NNC(=O)CN2CCCc3ccccc32)n1 763737077 WYDMYLKDQKJJTK-UHFFFAOYSA-N 413.482 -0.017 50 20 HBGD C[C@H]1CCc2sc(C(=O)NNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)cc2C1 763942896 PPMMARMZZSDDLC-IUCAKERBSA-N 402.498 -0.573 50 20 HBGD O=C(NNC(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1ccc(-n2cnnn2)cc1 764005610 CLEYQHDEGZKQJR-UHFFFAOYSA-N 409.362 -0.167 50 20 HBGD COc1ccc2cc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)ccc2n1 764227412 NWZBLNGMSSRNTM-SECBINFHSA-N 409.424 -0.733 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CNS(=O)(=O)CCOC(C)C)cc1 801106305 UCZFSOPTNZDVCX-UHFFFAOYSA-N 400.457 -0.575 50 20 HBGD COc1ccc(NC(=O)NNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 802054146 LAGLDCLYABXVDS-UHFFFAOYSA-N 415.410 -0.315 50 20 HBGD CN1CCN(C(=O)NNC(=O)CCC(=O)N2CCN(c3ccccn3)CC2)CC1 807383198 OKNKSQJMVJTTFB-UHFFFAOYSA-N 403.487 -0.501 50 20 HBGD COC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)CSc1ccccc1O 815571076 UBMPXJOASGWVQI-UHFFFAOYSA-N 407.408 -0.210 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)Cn2cc(Br)c(O)nc2=O)cc1 837302504 YAXHFRRADFPUCK-UHFFFAOYSA-N 424.211 -0.194 50 20 HBGD C[C@@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1 1782754615 VRLRUUNWCOGMNH-MEBBXXQBSA-N 420.260 -0.857 50 20 HBGD CN[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCBr)[C@H]2C1)C(=O)O 1786405755 AZLGZADABDDHNA-RVMXOQNASA-N 420.304 -0.186 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCOCC3)[C@H]2C1 1786726554 KRYDGQOSBZPBIQ-VGWMRTNUSA-N 403.907 -0.448 50 20 HBGD CN1N=C(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)CCC1=O 1794038034 ZRQMBQWXYCRXTE-MUJYYYPQSA-N 412.255 -0.774 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1801013421 VNXQKEFBEUTLGV-JLVBRIDZSA-N 422.530 -0.769 50 20 HBGD C[C@H](O)C(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810304350 CWKWATLLPPYAGX-DXCKQFNASA-N 412.450 -0.220 50 20 HBGD CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1 1830723888 STAHXRBFZCLVCL-KBXCAEBGSA-N 416.906 -0.676 50 20 HBGD COc1ncccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830725444 ONQRIQKOJUWIPO-KBXCAEBGSA-N 413.858 -0.240 50 20 HBGD CCc1[nH]nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1F 1833732736 DZGDKJNSSAFBTO-YVEFUNNKSA-N 418.853 -0.219 50 20 HBGD COc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)n1 1833761458 JNCYAYVQRQFAOJ-RDTXWAMCSA-N 413.858 -0.240 50 20 HBGD COC(OC)C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837708419 GDPDGDQGFGCPJH-QGZVFWFLSA-N 404.536 -0.087 50 20 HBGD CCCC(=O)N[C@H](C)C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1844360477 IQMCDHUPPVWKIN-CYBMUJFWSA-N 416.482 -0.193 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 729275751 RJXGPDYFNDGVKI-DTWKUNHWSA-N 404.395 -0.597 50 20 HBGD CN(C)S(=O)(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 742027003 ZBRGLSLGSSYLNJ-UHFFFAOYSA-N 420.513 -0.933 50 20 HBGD C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NNC(=O)c2cccc(C)c2)C1=O 744918999 QHFHMSRAXMBFEU-UHFFFAOYSA-N 402.363 -0.724 50 20 HBGD Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758048698 UMQGQGURFIWLHY-GFCCVEGCSA-N 410.500 -0.089 50 20 HBGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)[C@@H](C)NS(C)(=O)=O 758490821 CSQYAYSPPIUKRC-MRVPVSSYSA-N 407.832 -0.410 50 20 HBGD CCOC(=O)Cn1cccc(NC(=O)C(=O)NNC(=O)Cc2ccccc2F)c1=O 764314009 QHGJMHUZGAHRRU-UHFFFAOYSA-N 418.381 -0.121 50 20 HBGD NS(=O)(=O)c1cnn(CC(=O)NNc2c(F)cc(C(=O)NC3CC3)cc2F)c1 764334156 GQSIBBOLZQQHFR-UHFFFAOYSA-N 414.394 -0.156 50 20 HBGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2nnc(O)c3ccccc23)cn1 770208952 QFGMAGKTDYGNPS-UHFFFAOYSA-N 402.392 -0.287 50 20 HBGD CCOC(=O)CON=C(C(=O)NNC(=O)Cc1cn2ccccc2n1)c1cc[nH]n1 772342135 WRFJUVYKEZERIJ-UHFFFAOYSA-N 413.394 -0.269 50 20 HBGD Cc1ccn(C[C@](C)(O)C(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)c(=O)c1 790688870 ZSVWNBULRSNDSX-FQEVSTJZSA-N 412.402 -0.216 50 20 HBGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccc(F)cc1OC1CCOCC1 806980185 KZTBUVYUYSSUHZ-HNNXBMFYSA-N 411.386 -0.115 50 20 HBGD COCCOCc1ccc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)cc1 807960275 DHDODJIAEZOSKJ-UHFFFAOYSA-N 421.479 -0.116 50 20 HBGD C[C@@]1(NNC(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)CCS(=O)(=O)C1 1318768128 QCUADEQDZSXDIU-CYBMUJFWSA-N 418.488 -0.368 50 20 HBGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1 1782746172 YLOLRSRZEMRYTC-SJKOYZFVSA-N 403.863 -0.233 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1ccc(F)cn1)CCO2 1783934107 YESKVVODDJQQGH-FQEVSTJZSA-N 421.473 -0.034 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(=O)cco1)CCO2 1783936966 YVXWLDOTIBYKOC-IBGZPJMESA-N 406.439 -0.544 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cncnc3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979468 LQCDSBFKBGKKCK-WBAXXEDZSA-N 410.239 -0.937 50 20 HBGD CCC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CNC1=O)C2 1793445288 BOKHHIWGKNRZQQ-OXIQGZBJSA-N 400.863 -0.465 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1coc(Cl)n1 1794397675 UNSKFJVNSGVLGW-QHBPRCKVSA-N 413.862 -0.096 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(F)cn1 1794922896 OPMVFDZRFSJKRN-IVWMJMPLSA-N 407.446 -0.203 50 20 HBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1ccco1 1795848547 NFJADBXUKKYLMN-OQMKEHIESA-N 413.858 -0.147 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nc[nH]c1[N+](=O)[O-] 1796853125 LCTFTQYRXLSOCZ-ZSBIGDGJSA-N 407.431 -0.057 50 20 HBGD O=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](F)Br)C3)CCN1 1801069061 FCDMAAQJUWBSAE-DQYMBCKPSA-N 406.252 -0.207 50 20 HBGD O=C(C1CCC(O)CC1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830737840 JBKDLYDZRAPILT-HNFMNYKYSA-N 404.891 -0.406 50 20 HBGD CCOC(=O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830738034 KQACTNBQOSYMBI-FZKQIMNGSA-N 420.890 -0.368 50 20 HBGD N#CCC(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835737003 QEHJQPJDNVOGQL-UHFFFAOYSA-N 413.482 -0.216 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3ccco3)C2)C1 1835929609 YILTXPPLUKWUBX-HXUWFJFHSA-N 414.223 -0.657 50 20 HBGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(O)[nH]3)CCO2)C1 1838071727 VDKGEUBRFCNMRK-MEBBXXQBSA-N 417.260 -0.031 50 20 HBGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1839237867 IGZRETJDSLPFKI-DOMZBBRYSA-N 416.276 -0.482 50 20 HBGD Cc1ocnc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185462 MLNQDQQKZUKZOO-LJQANCHMSA-N 423.470 -0.574 50 20 HBGD C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1)n1cnnn1 1840480557 WQAZFWALTBEUMZ-IINYFYTJSA-N 407.258 -0.506 50 20 HBGD O=C(COc1ccc(O)cc1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010345 GMGAETOCVJOCPM-UHFFFAOYSA-N 410.235 -0.032 50 20 HBGD O=C(NCCn1cncn1)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 726710368 WPFRJMYMSRQIFT-UHFFFAOYSA-N 407.456 -0.293 50 20 HBGD NC(=O)c1ccc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)nc1 728340177 HOMBIQKEWNGXQY-CQSZACIVSA-N 400.347 -0.675 50 20 HBGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)CN2C(=O)NC3(CCCC3)C2=O)c1 744564910 HMYLKJJEGLIRCZ-UHFFFAOYSA-N 413.390 -0.273 50 20 HBGD O=C(NNS(=O)(=O)c1ccc(-n2cnnn2)cc1)c1ccc(-n2cnnn2)cc1 747407918 YYJNKZJXCPSMPO-UHFFFAOYSA-N 412.395 -0.739 50 20 HBGD Cc1cc(S(N)(=O)=O)cc(C(=O)NNC(=O)CNC(=O)c2cccnc2)c1C 752627180 ZQQPRHSHGGMKJI-UHFFFAOYSA-N 405.436 -0.463 50 20 HBGD CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NC(=O)NNC(=O)c2ccc[nH]2)C1=O 757629494 QEGUNXIVYIDDHY-UHFFFAOYSA-N 413.394 -0.026 50 20 HBGD C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)Cc1ccccn1 763041644 GLQAKCMZVFCISE-LLVKDONJSA-N 405.436 -0.763 50 20 HBGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)CNC(=O)c2cccnc2)ccc1OC 763819524 CMYQWRSEYMAEKP-UHFFFAOYSA-N 421.435 -0.811 50 20 HBGD CN(C)c1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1Cl 763999279 UZSUDDOQAKXUDI-SECBINFHSA-N 402.860 -0.073 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc2c(c1)OC(C)(C)O2 764233309 USYICKGUUMIWSY-MRVPVSSYSA-N 400.413 -0.783 50 20 HBGD CCN1CCN(CC(=O)NNc2c(F)cc(C(=O)NC3CC3)cc2F)C(=O)C1=O 764334825 YKIXAJCIZFWUIM-UHFFFAOYSA-N 409.393 -0.009 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CSc2ccccc2O)n(C)c1=O 765250422 SDDWFYAUKKHEPT-UHFFFAOYSA-N 418.435 -0.921 50 20 HBGD NS(=O)(=O)c1ccc(C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)nc1 770552073 GXTQXKXLMYGTAR-UHFFFAOYSA-N 411.465 -0.073 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CNC(=O)c1ccc(Br)cc1 771735284 LUDZDDVKENSXBM-MRVPVSSYSA-N 421.273 -0.736 50 20 HBGD COCCN(CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 779896158 JOIXXZZJPLGRLH-AWEZNQCLSA-N 414.440 -0.509 50 20 HBGD Cn1cc([C@H]2C[S@](=O)CCN2CC(=O)NNC(=O)c2cccc(C#N)c2)cn1 805751928 SRHJSXPYFJWEHM-WVDZOPJMSA-N 400.464 -0.142 50 20 HBGD O=C(CNC(=O)c1cccs1)NNC(=O)CNS(=O)(=O)c1cccc(F)c1 810309338 UDCLYKRTOVYDHX-UHFFFAOYSA-N 414.440 -0.257 50 20 HBGD N#Cc1ccc(S(=O)(=O)NCC(=O)NNC(=O)CNC(=O)c2cccs2)cc1 810309392 WICMAURRINXEKJ-UHFFFAOYSA-N 421.460 -0.525 50 20 HBGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)CN(C)S(=O)(=O)N(C)C)cc1 816817770 JYLIVEZOXRABJQ-LBPRGKRZSA-N 402.473 -0.262 50 20 HBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)[C@@H]1CCOC1 921146242 PIALUHXMLDCITI-OAHLLOKOSA-N 411.480 -0.176 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCN(C(C)=O)CC3)C2)C1 1778353927 DJPDOXDILQNXOD-QFBILLFUSA-N 414.934 -0.002 50 20 HBGD CCc1cc(C(=O)N2CC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)nn1C 1779832475 KESQVUPILYVSGT-HXUWFJFHSA-N 420.514 -0.201 50 20 HBGD O=C(CN(CCO)CCO)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](F)Cl)C2 1781837160 AGKWPGUHMGGEQZ-UKPHBRMFSA-N 409.886 -0.679 50 20 HBGD CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1786857513 PQUIAKTUCYAZEI-AJNGGQMLSA-N 400.907 -0.152 50 20 HBGD CCS(=O)(=O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2 1793319233 MFZFGAIYRFYITL-QCMRWSPLSA-N 415.281 -0.299 50 20 HBGD CN[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCBr)C(=O)O 1795112485 GSVSDJAEILMGIQ-MIJXAVMKSA-N 406.277 -0.576 50 20 HBGD CNc1nsnc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796185658 DLEAUAUGARCEFU-BTTYYORXSA-N 415.284 -0.175 50 20 HBGD CNC(=O)CC(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815350321 QHAIEOFHDGIZIW-GFCCVEGCSA-N 416.268 -0.815 50 20 HBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2nc[nH]n2)[nH]n1)c1ccc(B(O)O)cc1 1817471534 RGFKAHPNRBUZKB-CQSZACIVSA-N 409.215 -0.173 50 20 HBGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)CS(C)(=O)=O)CC2)CC1 1834572863 ZVQPTFORCKBCLH-HNNXBMFYSA-N 423.963 -0.144 50 20 HBGD CC(C)(C)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1834781495 HTNHEPKFEYWWPD-OAQYLSRUSA-N 418.299 -0.127 50 20 HBGD Cc1nc(N)sc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1835800535 FHJIATMBVKTKCU-MEDUHNTESA-N 418.903 -0.297 50 20 HBGD CS(=O)(=O)CC(=O)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836716907 XCPOMVARRMWZRY-CQSZACIVSA-N 410.920 -0.371 50 20 HBGD COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)nn1 1838346559 WFACZPQBFYYBJZ-CXAGYDPISA-N 414.846 -0.845 50 20 HBGD NC(=O)c1ccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)cc1 1843012844 VXANANOYCUBBBS-UHFFFAOYSA-N 407.235 -0.404 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1ccccc1C(N)=O)C2 1846385812 ZIVVGXBDKDSGLH-UHFFFAOYSA-N 401.467 -0.025 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(=O)n1O 1848347565 UDSHYJKRJSZIPN-KBPBESRZSA-N 412.406 -0.787 50 20 HBGD CC(C)c1ccc(C(=O)O)cc1S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 728509617 JDIWUOCYXCAJOB-SECBINFHSA-N 407.470 -0.245 50 20 HBGD Cc1ccc(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1S(N)(=O)=O 731853965 OOFJYNFLARYMAB-UHFFFAOYSA-N 401.408 -0.307 50 20 HBGD CN1CCN([C@H](CNC(=O)NNC(=O)C(=O)N2CCCC2)c2cccs2)CC1 748447374 QGPGXHVKWWCBKL-CQSZACIVSA-N 408.528 -0.011 50 20 HBGD O=C(CO)NNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 753441163 ZKCNUKJAXGCXMI-JTQLQIEISA-N 420.285 -0.011 50 20 HBGD CC[C@H](N=c1nn[nH]n1-c1ccccc1)C(=O)NNC(=O)C(=O)Nc1ccccn1 758831410 BEFRTOBNCSUSRO-ZDUSSCGKSA-N 409.410 -0.544 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cc(Cl)c(F)c(C(=O)O)c1 767738606 PBFABUPGAPEPOM-RXMQYKEDSA-N 417.824 -0.576 50 20 HBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cnc2c(c1CC)c(=O)n(C)c(=O)n2C 772211069 FCTIDFSRCKESHJ-VIFPVBQESA-N 405.411 -0.703 50 20 HBGD COc1ccc(OC)c(C2=NO[C@H](C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)C2)c1 791476547 GMLIKFIQXXKVEP-BONVTDFDSA-N 411.436 -0.221 50 20 HBGD CN(C)S(=O)(=O)c1ccc(NNC(=O)CSCC(=O)N2CCOCC2)cc1 812730982 HXFZDSHZOGZXIZ-UHFFFAOYSA-N 416.525 -0.028 50 20 HBGD O=C(c1cc(I)ccc1-n1cnnn1)N1CC[C@H](B(O)O)C1 864231118 JDMLMUAERBIZFZ-QMMMGPOBSA-N 412.984 -0.044 50 20 HBGD CCS(=O)(=O)C[C@@H](C)NC(=O)NNC(=O)c1csc(N2CCOCC2)n1 1116063163 BYYPMVBYBZCWJN-SNVBAGLBSA-N 405.502 -0.253 50 20 HBGD CC(C)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21 1783846582 ZBGOZHQTKAHDRP-AVGNSLFASA-N 414.890 -0.217 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCSCC3)C[C@@H]21)[C@@H](O)CCl 1784084442 RKIADUGSACFKLL-AJNGGQMLSA-N 405.948 -0.385 50 20 HBGD CCCC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784091599 YLGVPKLBYVTZAN-QTVXIADOSA-N 403.907 -0.129 50 20 HBGD CC[C@@H](C)[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1784545919 RMGRQHGGBLMEQP-CRWDZZMISA-N 418.299 -0.633 50 20 HBGD CC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1786433562 XIRRDULYUSKKPN-SZMVWBNQSA-N 402.256 -0.671 50 20 HBGD CC(C)(C#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788607711 AGWSCDGPBBJVHW-RCBQFDQVSA-N 414.466 -0.172 50 20 HBGD Cc1cn(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](F)Cl)C[C@@H]32)c(=O)nc1O 1792131214 HWXLNNDSFOUIBU-MNXVOIDGSA-N 416.837 -0.229 50 20 HBGD Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)cn1 1794656109 KDMCSMIIPYOIBQ-HGKCTWBKSA-N 403.483 -0.034 50 20 HBGD COC[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797748672 QVIOBLGJWSPSAY-NFFDBFGFSA-N 405.455 -0.829 50 20 HBGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1cccnc1)C2 1800973826 HXPIYWCULHRTHI-JYYAWHABSA-N 424.885 -0.345 50 20 HBGD CC[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1803000172 IMJQKLWZWPTHEH-YTQUADARSA-N 411.267 -0.148 50 20 HBGD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1)[C@H](O)CCl 1803135681 FOSGHFPPEHDRJM-WOSRLPQWSA-N 423.857 -0.761 50 20 HBGD O=C(Cc1ccc(F)cn1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830723572 PXXXJQBOOYDHMU-QAPCUYQASA-N 415.849 -0.181 50 20 HBGD O=C(c1ccc(F)nc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731416 LJLSVCHEZFPMMS-DYVFJYSZSA-N 401.822 -0.110 50 20 HBGD O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731692 NXPKLKGAGHVAMQ-TZPTYAJZSA-N 416.906 -0.486 50 20 HBGD COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cn1 1831943435 OLNXJPRHGZKNPZ-KSSFIOAISA-N 413.858 -0.240 50 20 HBGD CC[C@@H](NC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)C(Cl)Cl)CCO2)C1 1840187471 CWCKMBZSEOQKBM-MEBBXXQBSA-N 411.286 -0.307 50 20 HBGD C[C@@H](CBr)C(=O)N1CC2(CCCN2C(=O)C[C@H]2NC(=O)NC2=O)C1 1841957923 MSOBYQPJATVZBX-VHSXEESVSA-N 401.261 -0.181 50 20 HBGD N[C@@H](Cc1cscn1)C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1843328998 VUFYTFGDFXSTKV-INIZCTEOSA-N 414.296 -0.790 50 20 HBGD CC(C)NC(=O)C(=O)NNC(=O)CNS(=O)(=O)c1cccc(Br)c1 726613072 AJLREYQGQCQNEZ-UHFFFAOYSA-N 421.273 -0.601 50 20 HBGD O=C(COCC(=O)NNC(=O)[C@H]1COc2ccccc2O1)NCc1cccnc1 727752855 KVMAEOFXCMHZTM-MRXNPFEDSA-N 400.391 -0.298 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=S)Nc1cccc(S(=O)(=O)N(C)C)c1 728448877 DMQVWFDHLBBSRM-VIFPVBQESA-N 423.542 -0.808 50 20 HBGD CCN(C1CCN(CC(=O)NNC(=O)Cc2nc(C)cs2)CC1)S(C)(=O)=O 731356216 VFTYZPBQTZQWAG-UHFFFAOYSA-N 417.557 -0.113 50 20 HBGD CN1CCN(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CC1 732258007 DMOANEHWYMCXDI-UHFFFAOYSA-N 409.512 -0.521 50 20 HBGD CCS(=O)(=O)C[C@@H](C)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 733660850 XPVYPKQGCHFRAU-LLVKDONJSA-N 420.513 -0.296 50 20 HBGD O=C(NNC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O)C(=O)N1CCCC1 748247200 LRJLNVPAPAANMH-ZDUSSCGKSA-N 414.418 -0.155 50 20 HBGD C[C@H]1CN(CC(=O)NNC(=O)c2cccc(C#N)c2)CCN1c1nccn2cnnc12 749449617 OTHBWZRBZMWXAV-AWEZNQCLSA-N 419.449 -0.032 50 20 HBGD COCCN(C)S(=O)(=O)[C@H]1CCCN([C@@H](C)C(=O)NNC(=O)CC(C)C)C1 753785161 ISHNNWONUVSRNN-GJZGRUSLSA-N 406.549 -0.059 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H](c1ccccc1F)N1CCOCC1 758039124 HPSZQCZTDHSVNB-FZMZJTMJSA-N 402.448 -0.716 50 20 HBGD CCCn1nc(C(=O)NNC(=O)CN2CCN(C)C(=O)C2)c2ccccc2c1=O 763234828 YLQATTUNKMNFBD-UHFFFAOYSA-N 400.439 -0.659 50 20 HBGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccn(CC(=O)N(C)C)n2)cc1C 763664835 JCGMQLSJVPYFAK-UHFFFAOYSA-N 416.438 -0.247 50 20 HBGD Cc1nccc(-c2cccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c2)n1 764234808 ZWEBVCLVWVUJLQ-JTQLQIEISA-N 420.451 -0.524 50 20 HBGD CCCC(O)(CCC)CC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 766639119 NCLBWPWKKZSUGW-UHFFFAOYSA-N 408.459 -0.698 50 20 HBGD COc1cccc(S(C)(=O)=O)c1NNC(=O)[C@H]1CCCN1C(=O)CNC(C)=O 768635407 BCJNWMHBTWMGHA-GFCCVEGCSA-N 412.468 -0.331 50 20 HBGD C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NNC(=O)CN1CCCC1=O)C2=O 789856409 GCHFBHNTGVQMPP-CWTRNNRKSA-N 407.471 -0.107 50 20 HBGD CN(C(=O)N1CCN(S(=O)(=O)CBr)CC1)[C@@H]1CCS(=O)(=O)C1 790260286 FRXUFBNIWHAVOU-SNVBAGLBSA-N 418.335 -0.475 50 20 HBGD COC(=O)c1ccc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)[nH]1 796343608 DBLVRRLRIRPPPD-CQSZACIVSA-N 403.347 -0.055 50 20 HBGD CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NC(=O)NNC(=O)[C@@H]2COCCO2)s1 805165694 RDTIUPDRPJLFRY-BBBLOLIVSA-N 400.461 -0.191 50 20 HBGD CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@H]1CCc2nncn2C1 816873049 WXRJJPAEUMVNSJ-CMPLNLGQSA-N 410.431 -0.556 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CC[C@@]2(CN(C(=O)CN3CC(=O)NC3=O)CCO2)C1 1781223960 GGYNFUZGDVPYEE-HZPDHXFCSA-N 421.281 -0.396 50 20 HBGD COC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1783617317 HNVOCBDFMXVCQZ-XIRDDKMYSA-N 404.272 -0.615 50 20 HBGD O=C(O)c1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)ncn1 1784086107 FGKCYGPMLGWKMQ-ZNIXKSQXSA-N 412.830 -0.632 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccns1 1785813656 QQOBKPDQIBEIMW-BPUTZDHNSA-N 415.280 -0.270 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Cl)C[C@@H]21)c1cc2n(n1)CCNC2=O 1786258765 AMKNUMBULKYXBN-TXFQPVFDSA-N 413.837 -0.246 50 20 HBGD COC[C@@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)CCl 1792784005 JATQRYAJMBFOSB-LXTVHRRPSA-N 403.907 -0.008 50 20 HBGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cnnn1 1795861019 QZUNNSXAYNDKST-NOHGZBONSA-N 401.265 -0.564 50 20 HBGD O=C(O)CSCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796190440 XVZNYUYOYMOBAX-QDMKHBRRSA-N 406.269 -0.564 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)N1CCOCC1 1797803322 INMIAKVJHLFQTN-KIRIIANNSA-N 424.325 -0.537 50 20 HBGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)C1CC(O)C1 1803042750 DWNLKDMLCWHABN-KTLDDFEXSA-N 423.278 -0.148 50 20 HBGD O=C1CC[C@@H](C(=O)N2CCCC3(CCN(C(=O)c4ccc(B(O)O)cc4)CC3)C2)N1 1809308965 AQGTYNVQUVIUAK-KRWDZBQOSA-N 413.283 -0.510 50 20 HBGD N=C1NCCN1CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](O)CCl)CC2 1814916240 QBSDXGOPXLQBCW-PSASIEDQSA-N 400.892 -0.505 50 20 HBGD CC(C)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](N)CCC(N)=O)CCO2)C1 1835557725 OXSRCGKWZFHLGZ-SCLBCKFNSA-N 418.922 -0.699 50 20 HBGD COC(OC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839199610 YGIYKSIXKWHNAM-YGRLFVJLSA-N 413.240 -0.248 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C(=O)OC)CC1)CCO2 1839898707 OKYDTESTIRRMJM-SUMWQHHRSA-N 418.874 -0.350 50 20 HBGD O=C(c1cnc(O)nc1O)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840187785 WTWRSKDJQZPMFF-HNNXBMFYSA-N 421.237 -0.239 50 20 HBGD COc1ccc([C@H](O)C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)cc1 1841182318 ABNZZPRVMQDJDG-IBGZPJMESA-N 424.262 -0.074 50 20 HBGD CCOc1cnc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cccc(B(O)O)c2)cn1 1848334653 CSQJRNHUAOONGN-IRXDYDNUSA-N 410.239 -0.316 50 20 HBGD COc1cccc(C(=O)NNC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1O 743316979 MPJCHAPULUDRFQ-FIXIBIHLSA-N 403.391 -0.286 50 20 HBGD Cc1nnc2n1C[C@@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)CC2 750714046 IFSSRSOLLIZROM-ZDUSSCGKSA-N 406.468 -0.140 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1C 758034586 HMYOXEJSNORHOU-LBPRGKRZSA-N 420.513 -0.991 50 20 HBGD CNC(=O)Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 763569834 CKKHOJRQNWMRQR-INIZCTEOSA-N 412.402 -0.099 50 20 HBGD CC(C)C(=O)NNC(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 763832734 PXWDLOSKVMBTMU-OAHLLOKOSA-N 404.423 -0.557 50 20 HBGD CNC(=O)Cn1cc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2cccc(C)c2C)cn1 763848815 JJZWYEHWNFFTGW-ZDUSSCGKSA-N 416.438 -0.201 50 20 HBGD C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NNC(=O)C3CCCC3)cn2)C[C@H](C)O1 764070528 LYRGYGPNISJVIG-STQMWFEESA-N 420.470 -0.205 50 20 HBGD Cc1cc(C)n([C@@H](C)CC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)n1 766645375 SZRKFZQUORXNNP-LBPRGKRZSA-N 416.442 -0.954 50 20 HBGD COCCCS(=O)(=O)NCC(=O)NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 770194882 FMHUIISLPQZMER-UHFFFAOYSA-N 413.431 -0.067 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CNC(=O)c2cccc(O)c2)c1 771603839 PKKQEFACDNNQIM-UHFFFAOYSA-N 420.447 -0.167 50 20 HBGD CCOc1cc(C(=O)NNC(=O)CNS(=O)(=O)NC)cc(OCC)c1OCC 774329417 ODQSAVZKRUSLIW-UHFFFAOYSA-N 418.472 -0.303 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 784390711 BIKPKQCNPQNMLN-KBPBESRZSA-N 404.423 -0.402 50 20 HBGD CC[C@]1(C)Oc2ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc2O1 785991116 PKSDQJCUIZCCJT-XXFAHNHDSA-N 414.440 -0.392 50 20 HBGD NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NNC(=O)N=c2cc[nH]cc2)c1 802031511 GOAIYABUYPKXKO-UHFFFAOYSA-N 420.451 -0.546 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)NC[C@@H](N1CCOCC1)C(F)(F)F 805043364 ITFUFSZEQIYRPR-LLVKDONJSA-N 407.349 -0.397 50 20 HBGD CSCC[C@H](NC(=O)c1ccco1)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1317732112 FBNPLJKEPWEFLK-MNOVXSKESA-N 403.482 -0.287 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779020201 IYODYWTUIDCQAN-DOAWATSRSA-N 422.530 -0.339 50 20 HBGD Cc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)n1 1785966860 ZFJBEDRUWPGXEH-QRFRQXIXSA-N 423.278 -0.023 50 20 HBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN 1795523474 MLFVCMPVTZVSKM-OPDFLTKYSA-N 404.895 -0.333 50 20 HBGD O=C(CN1CCSCC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796185622 CCAUEQXLBDGEPD-BCDXTJNWSA-N 417.340 -0.333 50 20 HBGD C[C@@H](Nc1cnccn1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796191535 UZPWUXXCINPHBM-NKGKWGDASA-N 423.282 -0.091 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC(F)(F)C(=O)O)c1ccc(B(O)O)cc1 1796790611 QTDCQBZGCHXWAW-BTTYYORXSA-N 410.182 -0.272 50 20 HBGD O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1812878003 CKPGCFCYYODJBI-OXJNMPFZSA-N 421.218 -0.831 50 20 HBGD N=C1NCCN1CC(=O)NC1CCN(C2CCN(C(=O)[C@H](F)Cl)CC2)CC1 1834704537 OZWIGJSWMFMSCS-HNNXBMFYSA-N 402.902 -0.068 50 20 HBGD CC(=O)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798092 ZGDFDDSXCOMWGD-UHFFFAOYSA-N 401.272 -0.859 50 20 HBGD O=C1NC(=O)[C@H](CC(=O)N2CCC(N3CCC(NC(=O)[C@H](F)Cl)CC3)CC2)N1 1835078553 LYPRIDFLPTYNLH-JSGCOSHPSA-N 417.869 -0.310 50 20 HBGD O=C(Cn1ccnn1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839199579 QJKFEVSKHRGPSV-OCCSQVGLSA-N 420.239 -0.575 50 20 HBGD O=C1C[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)CN1 1839873484 XTOJYONFKYGSED-NVBFEUDRSA-N 422.251 -0.731 50 20 HBGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(C)=O)C2)C1 1839966810 QLLZFRLXAHTSSY-CJNGLKHVSA-N 420.304 -0.248 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)C(=O)NC3CC3)CC2)cc1 17805935 YGPCOISDUBEBIF-UHFFFAOYSA-N 408.480 -0.178 50 20 HBGD CCn1nc(C(=O)NNC(=O)c2cc(S(N)(=O)=O)cn2C)c2ccccc2c1=O 29122493 AGUZHRMRTNNOMS-UHFFFAOYSA-N 418.435 -0.523 50 20 HBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNC(=O)NC2CC2)c1 64427789 WJRBQTHZSIWGEK-UHFFFAOYSA-N 411.484 -0.060 50 20 HBGD COCCN(C)S(=O)(=O)[C@@H]1CCCN([C@@H](C)C(=O)NNC(=O)CC(C)C)C1 753785169 ISHNNWONUVSRNN-LSDHHAIUSA-N 406.549 -0.059 50 20 HBGD Cc1cc(S(N)(=O)=O)cc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1C 756632833 CULVNHLKMALPAW-SNVBAGLBSA-N 404.470 -0.462 50 20 HBGD COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NNC(=O)c2c[nH]nc2C)C1=O 771467363 DORRKPOLCMCPBQ-GOSISDBHSA-N 400.395 -0.045 50 20 HBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C 772315745 LPGUGTMKOZNECF-VXGBXAGGSA-N 414.459 -0.009 50 20 HBGD CC(=O)N[C@@](C)(C(=O)NNC(=O)C(=O)N1CCCC1)c1ccc(S(C)(=O)=O)cc1 797717705 YLKHDONXNRKUCK-GOSISDBHSA-N 424.479 -0.789 50 20 HBGD COc1ccccc1OCC(=O)NNC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 920424857 MGBIXSRUPZBTNE-UHFFFAOYSA-N 415.406 -0.576 50 20 HBGD Cc1ccc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)cc1S(=O)(=O)NCC#N 1326112609 SDARHUGXNYOUPJ-AWEZNQCLSA-N 414.509 -0.097 50 20 HBGD CC(=O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779028925 KZOMFWDJROIHAJ-HXUWFJFHSA-N 417.466 -0.256 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1779097248 PATKVDZBGFNCDL-RRQGHBQHSA-N 424.325 -0.297 50 20 HBGD COC[C@H](NC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)CCBr)CCO2)C1 1779315485 DEDCVZURYDAOIQ-BBRMVZONSA-N 420.304 -0.248 50 20 HBGD Cc1ncncc1C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1779666522 NKJRPTCVUGCTCL-HXUWFJFHSA-N 410.239 -0.778 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)CN)[C@H]2C1 1786783943 WJKGQLBLJTWRKE-UWFWABCNSA-N 418.498 -0.305 50 20 HBGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)CS(C)(=O)=O)C[C@@H]21 1791249702 OSLCKHPATHLBJW-QTVXIADOSA-N 424.947 -0.099 50 20 HBGD O=C(CC(F)(F)C(=O)O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796189208 LFBCLFGSZFNSEH-BTTYYORXSA-N 410.182 -0.272 50 20 HBGD CN1CCC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)C1 1799120128 DAVPPIFAHASYED-GGXPGOJBSA-N 409.531 -0.709 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(O)nc1O)C2)[C@H](F)Br 1799347566 PWWYWYCKLBXHME-MBLNEYKQSA-N 419.207 -0.219 50 20 HBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccc(O)nn1 1800208653 WGBPFRRHNQKFIA-AZKPJATDSA-N 414.846 -0.596 50 20 HBGD COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1800954732 XQWLNTXNOYDJPX-GTDBDLECSA-N 414.886 -0.069 50 20 HBGD O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807367778 MJDKRFALNWTTFQ-OXJNMPFZSA-N 421.218 -0.831 50 20 HBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)[C@@H](O)CCl)[nH]n1)c1cccc(B(O)O)c1 1817473792 AFRDJBQXKZYZPO-CABCVRRESA-N 420.662 -0.005 50 20 HBGD COc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)nn1 1830730723 CHGRRNGFOBURHV-CXAGYDPISA-N 414.846 -0.845 50 20 HBGD O=C1NC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)O1 1831573729 RDMLMUNQYZENIL-RBZYPMLTSA-N 424.223 -0.758 50 20 HBGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)N(C)C)CCO2)C1 1835436279 SNDIVLXSYLJASF-IAQYHMDHSA-N 406.277 -0.686 50 20 HBGD CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)CCC1 1835925991 GRWFZHJWLVWXIM-NRFANRHFSA-N 416.283 -0.373 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)[C@@H]2CC[C@@H]3CCC(=O)N3C2)C1 1845075776 KVFFNRVXMATHDS-HZPDHXFCSA-N 419.526 -0.036 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNS(=O)(=O)c2cn(C)c(C)n2)cc1 727112335 CYAJPBQXLKSGSA-UHFFFAOYSA-N 415.497 -0.333 50 20 HBGD CCOc1ccc(S(=O)(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1C(=O)O 727720624 SOOXAFOVJUQKIB-VIFPVBQESA-N 406.438 -0.472 50 20 HBGD CN(C)N(C(=O)CCNS(=O)(=O)c1ccccc1F)[C@H]1CCS(=O)(=O)C1 728175528 WHZAEGGUBRQAEA-LBPRGKRZSA-N 407.489 -0.014 50 20 HBGD C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)NNC(=O)C(=O)NC3CC3)n(C)c2)C1 730207460 QFDOAEXXQMCPSA-NSHDSACASA-N 411.484 -0.515 50 20 HBGD O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)c1cnn(-c2ccccc2)c1 742670714 AAQOFKUPYYBNIH-JHNDHUHGSA-N 409.402 -0.204 50 20 HBGD CNS(=O)(=O)c1cc(C(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)c(C)o1 751739722 HVIURCYYXUUKTB-UHFFFAOYSA-N 420.403 -0.014 50 20 HBGD COCCCNC(=O)NNC(=O)CCNS(=O)(=O)c1ccc(C(C)=O)cc1 756812207 LDBGQEVNIYMAGJ-UHFFFAOYSA-N 400.457 -0.076 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(Cl)c(N2CCNC2=O)c1 758040054 NILIXVRPUVGQRI-QMMMGPOBSA-N 403.848 -0.432 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cccc2c1CCN2S(C)(=O)=O 758300977 RNYDYIOLNAVHMH-SECBINFHSA-N 419.485 -0.901 50 20 HBGD CC1(C)C(=O)N(C[C@](C)(O)C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c2ccccc21 760079343 KVLQYSBTXQXVDX-BLVKFPJESA-N 423.491 -0.356 50 20 HBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1cccc(CS(=O)(=O)NC(C)(C)C)c1 764213590 ZYNQFVIPUWFDBE-UHFFFAOYSA-N 413.500 -0.448 50 20 HBGD Cn1ncc([N+](=O)[O-])c1C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 767089574 UHEXZNAOIPEUSU-UHFFFAOYSA-N 415.410 -0.453 50 20 HBGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(Br)nc1OC 789585845 IQOCDTXKHHZRSE-QMMMGPOBSA-N 419.232 -0.010 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)cc1C 798309599 IXPCZEYZOZFKTQ-UHFFFAOYSA-N 424.417 -0.351 50 20 HBGD Cn1ncc2c(O)nc(NNC(=O)NC[C@H](N3CCOCC3)C(F)(F)F)nc21 807539281 BGAWGPMEKRSDMY-VIFPVBQESA-N 404.353 -0.042 50 20 HBGD COc1ccc(C(=O)NNC(=O)COC(=O)C2CCS(=O)(=O)CC2)cc1OC 1328050252 FIGWHWLTRHQAQL-UHFFFAOYSA-N 414.436 -0.167 50 20 HBGD CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1781855277 YQMAMSMGUASTOG-PSTGCABASA-N 421.878 -0.741 50 20 HBGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)C2 1782170472 MTTYUUWORTZHKP-KYZVSKTDSA-N 418.922 -0.653 50 20 HBGD CNC(=S)NCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](Cl)COC)C2)C1 1783877153 GQJRKWMFWGDPEV-BLLLJJGKSA-N 406.936 -0.446 50 20 HBGD CCOCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1784695010 KADMWGKTYVXBMU-IBGZPJMESA-N 405.455 -0.445 50 20 HBGD Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)cn1 1785940484 NMWFWFXVMLHCHT-IHPCNDPISA-N 423.278 -0.023 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3ccncc3=O)[C@H]2C1 1790584306 KHFVSHKLYWCLMC-AJNGGQMLSA-N 412.874 -0.523 50 20 HBGD C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21)n1cccn1 1791643327 KOKQCPNDNQEEQZ-QAETUUGQSA-N 420.514 -0.203 50 20 HBGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCNC1=N 1795577937 ZGJQHIJASDMJLN-FMSGJZPZSA-N 416.320 -0.553 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1cc(O)nc(O)c1 1796190954 IFQAUVKAKGCRLD-MUJYYYPQSA-N 411.223 -0.262 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CC(F)(F)C1)C2 1801008886 GUDYUTUFEYTVJS-YWVIFJGQSA-N 402.442 -0.006 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(O)nc1)C2 1801011922 USZCOHDHYPUGAQ-ZSBFGKGUSA-N 405.455 -0.637 50 20 HBGD CC(=O)NCC(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807368062 XBYYEKVWGYQRNN-XLIONFOSSA-N 424.266 -0.783 50 20 HBGD N=C(N)SCC(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1835509347 LNBOWIKONKYXPD-AWEZNQCLSA-N 423.333 -0.146 50 20 HBGD Nc1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)s1 1835839729 DJRSETYJAGFSIP-BONVTDFDSA-N 404.876 -0.605 50 20 HBGD O=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)=NN1 1837363918 QPRMJYQUGXKHQB-RISCZKNCSA-N 421.223 -0.991 50 20 HBGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccncc3=O)CCO2)C1 1839664538 IQYBFMLKTZBUTI-KBXCAEBGSA-N 412.874 -0.283 50 20 HBGD O=C(Cn1ccncc1=O)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840189967 VUJTXLZUMNTRDP-INIZCTEOSA-N 419.265 -0.497 50 20 HBGD O=C(NNC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)c1cnn[nH]1 729455968 JLRBZAYYGMGAEK-UHFFFAOYSA-N 403.424 -0.573 50 20 HBGD CCOc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2cnn[nH]2)cc1OCC 729456412 JRKBEKUAPNIPLM-UHFFFAOYSA-N 412.428 -0.658 50 20 HBGD CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 736072734 RHBAYAFMDHYJCB-AGIUHOORSA-N 403.505 -0.276 50 20 HBGD O=C(CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NNC(=O)c1cnn(-c2ccccc2)c1 742670722 AAQOFKUPYYBNIH-MUIFIZLQSA-N 409.402 -0.204 50 20 HBGD O=C(CNC(=O)c1cccs1)NNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 751208255 BCLMRDXDLFCKTB-UHFFFAOYSA-N 409.449 -0.877 50 20 HBGD CS(=O)(=O)CCOc1cccc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 756298524 XZRDNQYTEURLRS-LLVKDONJSA-N 419.481 -0.303 50 20 HBGD CCS(=O)(=O)NCC(=O)NNC(=O)CN1CCN(Cc2ccc(C)cc2)CC1 759606890 BGEGGRWQHUPORZ-UHFFFAOYSA-N 411.528 -0.801 50 20 HBGD CC(C)c1cc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc(O)n1 775543056 RGEVOIINMSFNIR-UHFFFAOYSA-N 415.410 -0.881 50 20 HBGD CO[C@@H]1CCC[C@@H](CC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1 793674023 JIIWNURZHQKWTN-VXGBXAGGSA-N 406.443 -0.824 50 20 HBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1cccc(C#N)c1 795328456 WDBYOYQAUUXXSU-GFCCVEGCSA-N 410.452 -0.038 50 20 HBGD COCC(=O)NNC(=O)C(=O)Nc1ccc([N+](=O)[O-])c(I)c1 815569118 IDAXFTDHONMUKP-UHFFFAOYSA-N 422.135 -0.068 50 20 HBGD CC(=O)N1CCN(CC(=O)N2CC[C@]3(C2)CN(C(=O)C(Cl)Cl)CCO3)CC1 1778357749 CFOAHGSULVYEHS-KRWDZBQOSA-N 421.325 -0.216 50 20 HBGD COc1ccnc(C(=O)N2CC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1 1779539740 GDWIZWATRNNIMT-FQEVSTJZSA-N 419.482 -0.093 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CNC(=O)C2)C1 1781779931 ISZMFUOCHGZPSH-BXTJHSDWSA-N 423.514 -0.991 50 20 HBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)[C@H]1CCOC1 1782690485 JSGKEGMZACVBBK-YRISNDGFSA-N 416.283 -0.470 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)[C@@H]3[C@@H]4C=CS[C@@H]34)C2)C1 1782734844 DINVGCGXFLTRGX-XLSPSMHOSA-N 414.292 -0.315 50 20 HBGD COC(=O)C12CC(C(=O)N3CC[C@@]4(CN(C(=O)[C@H](O)CCl)CCO4)C3)(C1)C2 1783440843 HJANLZPWURBMJI-YBPHZDCCSA-N 400.859 -0.241 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)n3cnnn3)C2)C1 1784604382 WRASWEGVAUDANR-WDMOLILDSA-N 401.265 -0.153 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795600606 ALFRJYJUZMXQGH-JLVBRIDZSA-N 422.530 -0.769 50 20 HBGD CC(C)O[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795734616 UUDPXEKERHQORB-NYCLONFESA-N 404.272 -0.617 50 20 HBGD CC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCN(C(C)=O)CC1 1797306522 WLQGEBOHEWQPGL-DFGXFYAUSA-N 414.934 -0.243 50 20 HBGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)n1cnnn1)C2 1800643990 BPSONDACEIJVOM-WJTVCTBASA-N 415.292 -0.003 50 20 HBGD O=C(CC[C@@H]1CCOC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1801577862 RGNZJAOEMVDKCI-DFYYWFRZSA-N 416.283 -0.614 50 20 HBGD Cn1ncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1Cl 1830732601 UHLNCYFZLHRAKD-LRDDRELGSA-N 421.281 -0.257 50 20 HBGD CN1CCCC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1830765295 NMNJSHFZCQRKQY-HDMKZQKVSA-N 403.907 -0.473 50 20 HBGD O=C1NC(=O)[C@H](CC(=O)N2CCC(N3CCC(NC(=O)[C@@H](F)Cl)CC3)CC2)N1 1835078552 LYPRIDFLPTYNLH-GXTWGEPZSA-N 417.869 -0.310 50 20 HBGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)N(C)C)CCO2)C1 1835436281 SNDIVLXSYLJASF-XHDPSFHLSA-N 406.277 -0.686 50 20 HBGD N=C(N)SCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1835644063 QZDHRDJHMUAAEN-NHYWBVRUSA-N 408.908 -0.941 50 20 HBGD C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835940150 WNWCJYCFFIDAOM-NRFANRHFSA-N 414.267 -0.760 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]nnc3C)C2)C1 1840151630 IWLBDMDLNKCVNC-LRDDRELGSA-N 401.851 -0.563 50 20 HBGD CC[C@H](Br)C(=O)N1CC2(CCCN2C(=O)CN(CCO)CCO)C1 1846034782 FLIOVVKWOPEQCU-ZDUSSCGKSA-N 406.321 -0.350 50 20 HBGD C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NNC(=O)c2cccc(Cl)c2)C1=O 726043350 VKIFMHHWOFJWPR-UHFFFAOYSA-N 422.781 -0.379 50 20 HBGD NC(=O)C1(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 731600343 HGWFNTJXECTSLZ-UHFFFAOYSA-N 424.479 -0.947 50 20 HBGD Cn1c(NNC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)nc2ccccc2c1=O 733260758 QFNJYKARATULGA-AWEZNQCLSA-N 414.466 -0.443 50 20 HBGD COc1cc(C=NNC(=O)C(=O)NC(C)C)ccc1OCC(=O)N1CCOCC1 744812223 HHZCKZDDMMTUTQ-UHFFFAOYSA-N 406.439 -0.093 50 20 HBGD CC(C)OCCS(=O)(=O)NCC(=O)NNC(=O)c1cc(Br)c[nH]1 747906082 LEYQPWUNDHKIKB-UHFFFAOYSA-N 411.278 -0.117 50 20 HBGD Cn1nnc2cc(C(=O)OCC(=O)NNC(=O)[C@H]3COc4ccccc4O3)cnc21 754898478 DOURKWKSZJLNCK-CQSZACIVSA-N 412.362 -0.493 50 20 HBGD C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)NNC(=O)CNC(=O)c2ccco2)CC1 755140262 UBTGAVNECPNJKD-CQSZACIVSA-N 420.470 -0.621 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)Nc2nccn(C)c2=O)cc1 757905053 CTIJWADCPQODGT-UHFFFAOYSA-N 408.440 -0.438 50 20 HBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 772186590 GADCDTIRERJBKL-QWRGUYRKSA-N 403.461 -0.788 50 20 HBGD C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)C(=O)NCC(=O)N(C)C 782701259 BBZRMEIETJSICL-SECBINFHSA-N 415.244 -0.432 50 20 HBGD O=C(COC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)c1cccs1 786355936 MXWLBCVLFQSIRX-IDMWTJEOSA-N 421.431 -0.395 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cc2c(cc1Cl)CCC2=O 800836379 ROQAGRZFPCTRJW-SSDOTTSWSA-N 409.873 -0.284 50 20 HBGD C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NNc1ccc(-n2ccnc2)nn1 804954135 KWLODWOUPHNUJX-KRWDZBQOSA-N 414.426 -0.279 50 20 HBGD CC(C)CS(=O)(=O)CC(=O)OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 919333390 GPXBXKDCTWCZFW-UHFFFAOYSA-N 401.397 -0.030 50 20 HBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1sccc1S(=O)(=O)C(F)F 1318330031 YUJQTJBJHGWKLM-LURJTMIESA-N 402.422 -0.060 50 20 HBGD O=C(NNS(=O)(=O)c1ccc(N2CCOC2=O)cc1)[C@@H]1CCS(=O)(=O)C1 1322022611 MJGLWCLPQOCRPX-SNVBAGLBSA-N 403.438 -0.613 50 20 HBGD CCS(=O)(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2cnn(C)c2)cc1F 1341420761 WUERRMZHRALKFY-UHFFFAOYSA-N 405.433 -0.056 50 20 HBGD N#CC1(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)CCC1 1779035312 FINRNWCQFHTUJZ-FQEVSTJZSA-N 412.450 -0.178 50 20 HBGD O=C([C@H](O)N1CCOCC1)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781331145 DSERMEPQRCNUDZ-CORIIIEPSA-N 424.267 -0.843 50 20 HBGD O=C(c1c[nH]c(=O)cn1)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781334187 MUCJEFWAAXKEBG-SMDDNHRTSA-N 403.208 -0.096 50 20 HBGD CC(=O)NCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2 1781767000 NEEDNJBFNODQHQ-DNVCBOLYSA-N 411.503 -0.991 50 20 HBGD CC(C)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@@H]21 1783845678 BPOKWTAUPLZCAI-CYDGBPFRSA-N 414.890 -0.171 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(=O)ccn1C)CCO2 1783935409 QZOTXCCDLKPHJN-FQEVSTJZSA-N 419.482 -0.798 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1ccncc1)CCO2 1783935579 VYTKYFGFCHBAFO-FQEVSTJZSA-N 403.483 -0.173 50 20 HBGD CC[C@H](C)[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1784558454 YGCGBBKJCWHJOF-GMHRPJKWSA-N 412.531 -0.254 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccn(C)n3)[C@H]2C1 1787049078 FIPLMIJBMZILIK-XIRDDKMYSA-N 420.514 -0.685 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)[C@H]1CCCOC1 1792210978 KPGJDLAGHPOBPK-CAMMJAKZSA-N 416.283 -0.614 50 20 HBGD CCC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)CNC1=O 1793760175 KQQQLHBFZMDSTC-NWJSVONSSA-N 400.863 -0.465 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H]1CCCCO1)C2)c1ccc(B(O)O)cc1 1795732721 CTGBYCHREKHBHY-YNVMFWSZSA-N 416.283 -0.471 50 20 HBGD CNC(=O)CC(=O)N1CCCC2(CCN(C(=O)c3cnccc3C(=O)NN)CC2)C1 1805924299 YLOQFKWTSOMMCJ-UHFFFAOYSA-N 416.482 -0.334 50 20 HBGD O=C(CN1CCOCC1)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](O)CCl)CC2 1814558329 QBQDOXMTZXXVBF-PWSUYJOCSA-N 402.904 -0.013 50 20 HBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C(=O)N(C)C)CC2 1826085069 BWCFXLYYRIIKOS-JTQLQIEISA-N 410.500 -0.484 50 20 HBGD Cn1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1=O 1830727047 ZTFSZRFFBSZATE-KSSFIOAISA-N 413.858 -0.945 50 20 HBGD Cn1ccc(=O)cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731693 MEFXSBBGUWEISZ-CRAIPNDOSA-N 413.858 -0.945 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncnn3C)CCO2)C1 1833846447 MWYVFFXZUIDNGR-WBMJQRKESA-N 401.851 -0.861 50 20 HBGD CC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837457270 ZOIBYZUFTFEYDE-HXUWFJFHSA-N 419.482 -0.199 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1837712113 FKNYDHGLFYPQTI-KBXCAEBGSA-N 413.547 -0.427 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccncc3=O)C2)C1 1839148288 SVVQYQXELFNFKK-KBXCAEBGSA-N 412.874 -0.283 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 1839148943 OHAXWLZGKXAKJO-SUNYJGFJSA-N 401.891 -0.014 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCn3cncn3)CCO2)C1 1840359525 KOOBGQABOMEXHC-YOEHRIQHSA-N 415.878 -0.622 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NC2CCN(CC#N)CC2)cc1 730674874 QQYDJQNYEKDAEV-UHFFFAOYSA-N 422.511 -0.066 50 20 HBGD Cn1cc(C(=O)NNC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cn1 735445438 VGUAUZRJLZDCOH-UHFFFAOYSA-N 411.415 -0.345 50 20 HBGD O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)CNC(=O)c1cccs1 742612071 HWPVDQXFBZGYBB-RPVFDAQASA-N 420.447 -0.822 50 20 HBGD Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 748641309 JJNWMLDLCVVIMY-JTQLQIEISA-N 406.442 -0.109 50 20 HBGD CCOc1ccc(S(=O)(=O)N[C@@H](CCSC)C(=O)NNC(=O)CO)cc1 753438679 HMWOLMYJKZZCIX-ZDUSSCGKSA-N 405.498 -0.375 50 20 HBGD CC(C)[C@@H](C(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1)N1CCCS1(=O)=O 757715779 QQLAFJNGTUOGDY-LZWOXQAQSA-N 404.533 -0.307 50 20 HBGD COc1cc(C)nc(NNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)n1 763058619 PZHQDPMSAYKYIL-JTQLQIEISA-N 408.440 -0.297 50 20 HBGD CCC(=O)NNC(=O)C(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1 763441539 WSFVWHNAVFHXDD-UHFFFAOYSA-N 401.423 -0.004 50 20 HBGD NC(=O)c1n[nH]c2ccc(NC(=O)C(=O)NNC(=O)[C@H]3Cc4ccccc4O3)cc12 764162618 DCOOGLOLDRMUNI-CQSZACIVSA-N 408.374 -0.249 50 20 HBGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NNC(=O)C(C)(C)O)o1 768259276 IXTVLTNBGMTOPL-SNVBAGLBSA-N 417.440 -0.472 50 20 HBGD COc1cc(O)c(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1OC 768368016 VPAZRSPGNCAGLW-UHFFFAOYSA-N 416.394 -0.693 50 20 HBGD CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)C2=O 768925310 LWWUCHRZFHMYLM-APPDUMDISA-N 414.484 -0.541 50 20 HBGD CC(C)(C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)N1C(=O)c2ccccc2C1=O 771267413 UUJVHWDDVKNZLF-SNVBAGLBSA-N 408.436 -0.421 50 20 HBGD CC(C)[C@@H](C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12)N1CCCS1(=O)=O 772630143 KPEHDCHMNDKEFR-HNNXBMFYSA-N 421.479 -0.245 50 20 HBGD N#C/C(=C/c1ccc(O)cc1)C(=O)OCC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 778129938 MNXSQSLYOKOMKU-FFXRNRBCSA-N 407.404 -0.145 50 20 HBGD Cn1c(=O)nc(O)c2cc(S(=O)(=O)NNC(=O)NCc3ccccc3)cnc21 786727813 LSKPVDGATGEESI-UHFFFAOYSA-N 404.408 -0.273 50 20 HBGD COc1cc(Cl)c(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1OC 790339904 ORWGBODDTACTIT-ZETCQYMHSA-N 415.877 -0.396 50 20 HBGD O=C(CCN/C(O)=C1\N=CC=CC1=O)NNC(=O)CNC(=O)OCc1ccccc1 794065107 SQVXZHXOFMHOBP-ISLYRVAYSA-N 415.406 -0.023 50 20 HBGD CN(C)C(=O)Cn1cc(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)nn1 794069590 JBDFRNRSFFWMHF-UHFFFAOYSA-N 403.399 -0.946 50 20 HBGD CNS(=O)(=O)c1ccc(C(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)cn1 812729332 JSTXMRWSZGXLHH-UHFFFAOYSA-N 413.481 -0.003 50 20 HBGD CS(=O)(=O)C1(CNC(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1 1339583734 NXXVOPKNFDPUKK-UHFFFAOYSA-N 403.486 -0.499 50 20 HBGD Cc1ccc(C(=O)N2CC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c(O)n1 1780275486 MTBFQQMEGKIQOF-FQEVSTJZSA-N 419.482 -0.088 50 20 HBGD O=C1CN(CC(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](F)Br)C3)C2)C(=O)N1 1781327163 XULDPRHLNWHUEM-RISCZKNCSA-N 421.223 -0.941 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(CN(C(=O)CCc3cnn(C)c3)CCO2)C1 1783933972 PPFNDHYTWRHCKZ-HXUWFJFHSA-N 420.514 -0.444 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1784117653 BXKHQNJYFHEWNX-SJORKVTESA-N 418.277 -0.022 50 20 HBGD CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Cl)C[C@@H]21 1784440825 UVWCHEINRIMSBV-MOLYVOAJSA-N 413.899 -0.172 50 20 HBGD Cc1cccnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1784708103 YEQBMXMTIMGUMA-WDSOQIARSA-N 423.278 -0.023 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cncn3C)[C@H]2C1 1786131238 HQAWJPWMNUGYLY-DZKIICNBSA-N 406.487 -0.614 50 20 HBGD CN[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)Br)C[C@@H]21)C(=O)O 1786898175 GBBMNYAXZXXPHW-MOLYVOAJSA-N 420.304 -0.188 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCO3)C[C@@H]21)c1cccc(B(O)O)c1 1786986618 RGBPOOUEVLINSO-DKIMLUQUSA-N 402.256 -0.861 50 20 HBGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCOCC1 1795443010 SWYFTHNCPHDZBV-XPCVCDNBSA-N 404.305 -0.308 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCOCC1)C2)[C@H](F)Br 1799346399 QBCDRGTUMDJQNM-NEBZKDRISA-N 422.295 -0.011 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@]1(F)Cl)C2 1801012140 HTJDCZJMLPYVGK-MUTWKMIISA-N 404.870 -0.127 50 20 HBGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C(=O)N(C)C)[nH]n1 1822413027 MXRBLOZXKBBGGR-ZDUSSCGKSA-N 407.475 -0.137 50 20 HBGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1)N1C[C@H]2C[C@@H]2C1 1837279095 NIYOOMHEEFRCKE-DINLJIAVSA-N 415.918 -0.617 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1 1837715294 HUUNUROYUSMHMO-QGZVFWFLSA-N 412.519 -0.830 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1C)CCO2 1839216299 MLNYONMQEKWQLU-SUNYJGFJSA-N 417.890 -0.683 50 20 HBGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(=O)NC)C2)C1 1839962541 JMNAREWVRZWXCK-BLLLJJGKSA-N 420.304 -0.248 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)/C=C\C(=O)NC2CC2)C1 1844177657 UUKDSSDJDYXCHQ-PLNGDYQASA-N 412.450 -0.663 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)[C@@H]1CCC(=O)NC1)C2 1844263198 DOIFLZKIFZDKNJ-GFCCVEGCSA-N 400.439 -0.972 50 20 HBGD CC(=O)Nc1cncc(C(=O)NNC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)c1 746306361 CLMAFASNPKKKER-INIZCTEOSA-N 409.406 -0.079 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cccc3cccnc23)n(C)c1=O 747427388 PNCZQFWCYQRRHS-UHFFFAOYSA-N 407.390 -0.557 50 20 HBGD C[C@]1(CCC(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)CCC(=O)N1 751520787 PWJKDYNPNUODPW-AUUYWEPGSA-N 405.407 -0.034 50 20 HBGD Cc1ccn(C)c(=O)c1NC(=O)C(=O)NNC(=O)COc1ccccc1[N+](=O)[O-] 763804367 MEVQQRPHHZBSAF-UHFFFAOYSA-N 403.351 -0.233 50 20 HBGD CNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)c2cccc(C#N)c2)c2ccccc2O1 764237560 JAJIYNTZYBKWOZ-MRXNPFEDSA-N 407.386 -0.141 50 20 HBGD COCC(=O)NNC(=O)C(=O)N1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 764298994 AALCYWJSIZTGCQ-HNNXBMFYSA-N 404.423 -0.413 50 20 HBGD NC(=O)[C@H]1CC(C(=O)NNC(=O)CNC(=O)c2cccnc2)=NN1c1ccccc1 764344761 IYUMWRGDNXWQFM-OAHLLOKOSA-N 409.406 -0.921 50 20 HBGD CCNC(=O)N1CCc2ccc(NC(=O)C(=O)NNC(=O)[C@H](C)OCCOC)cc21 764398271 RBPBISDGOUUBTI-LBPRGKRZSA-N 421.454 -0.084 50 20 HBGD COc1cc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc(O)c1O 764817960 MMDMRVWWBULZFJ-UHFFFAOYSA-N 402.367 -0.996 50 20 HBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 772049423 VAYSOYZXUNXEAJ-JTQLQIEISA-N 418.497 -0.145 50 20 HBGD C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)C(=O)NCC(=O)N(C)C 782701260 BBZRMEIETJSICL-VIFPVBQESA-N 415.244 -0.432 50 20 HBGD NS(=O)(=O)c1cc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)cs1 788874252 IKXJLTZDSBAQKB-UHFFFAOYSA-N 417.494 -0.237 50 20 HBGD CC[C@@H]1CCc2nc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)sc2C1 789735492 QFNKKUFDUNZABF-RKDXNWHRSA-N 417.513 -0.318 50 20 HBGD Cc1nc(O)c(Br)cc1C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 795527733 RFAOLXZSOLQSSG-SSDOTTSWSA-N 407.246 -0.011 50 20 HBGD COc1coc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1=O 798673464 LOVUWWWGEWRVKQ-OAHLLOKOSA-N 404.331 -0.207 50 20 HBGD COCc1nc(Cl)cc(NNC(=O)CNS(=O)(=O)c2cn(C)c(C)n2)n1 807237090 KQMBJOXPLGEEAF-UHFFFAOYSA-N 403.852 -0.260 50 20 HBGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)CN(C)S(C)(=O)=O 914923489 KNHFBRQOHVIYLC-UHFFFAOYSA-N 407.832 -0.456 50 20 HBGD O=C(CNC(=O)c1ccc(C(F)(F)F)cc1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 920212511 MCFLSSJBUGHKNE-NSHDSACASA-N 422.385 -0.047 50 20 HBGD CC(C)N1C(=O)c2ccc(C(=O)NNC(=O)CN3CCCC3=O)cc2S1(=O)=O 920433650 XKIZKKZEXCZZPY-UHFFFAOYSA-N 408.436 -0.377 50 20 HBGD COC[C@H](NC(C)=O)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1779317141 BSFMMRZOHRLOJQ-SLEUVZQESA-N 424.267 -0.342 50 20 HBGD CC[C@H](NC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)Br 1800757073 HODSVTWAIQOFTG-SVNGYHJRSA-N 405.293 -0.194 50 20 HBGD CN1CC(C(=O)N[C@@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)C1 1815347569 DYAXRTGQTLKMFS-CQSZACIVSA-N 414.296 -0.390 50 20 HBGD O=C(c1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835931648 VTBLVWAZVOEURI-QFIPXVFZSA-N 424.262 -0.250 50 20 HBGD O=C(CC1CCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835941518 NBMZZMFDANGHMN-NRFANRHFSA-N 416.283 -0.373 50 20 HBGD Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)n[nH]1 1840185023 FIFTTYTWTRWSET-IBGZPJMESA-N 422.486 -0.839 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)C[C@H](N)c1cccnc1)C2 1844263863 CSSAOGKIXIDWHT-KRWDZBQOSA-N 423.477 -0.013 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1csc(N)n1)C2 1844264000 SUFMFBSPFHQWPG-UHFFFAOYSA-N 401.452 -0.145 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2cnn3c2OCCC3)C1 1845612590 VEVJHJDYCJCCGH-UHFFFAOYSA-N 410.239 -0.524 50 20 HBGD C[C@H](C(=O)NC1CC1)N1CCN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1 28750435 IRGZJSMPZMFQFF-CYBMUJFWSA-N 418.454 -0.360 50 20 HBGD CN(C)C(=O)CN1CCC(NC(=O)NNC(=O)CNC(=O)c2cccs2)CC1 731762019 WFSMCQPSEXYOME-UHFFFAOYSA-N 410.500 -0.639 50 20 HBGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 742478066 MOZCYXSDIDCSPS-YUHPLZMDSA-N 405.382 -0.097 50 20 HBGD NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)[C@H]1COCCO1 744652232 FJNUUEZXWLXMTL-UONOGXRCSA-N 408.411 -0.890 50 20 HBGD CC(C)NC(=O)C(=O)NNC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1 746819106 NSFYHXGWCBGBGB-OAHLLOKOSA-N 401.423 -0.866 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCc2ccc(C(N)=O)o2)cc1 753014758 BUFBKFSYYFBEGI-UHFFFAOYSA-N 423.451 -0.162 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2cnc(C)nc2)cc1 763739103 ZNPMLRURCRZCCH-UHFFFAOYSA-N 420.451 -0.500 50 20 HBGD CC(C)CC(=O)NNC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@H](C)C2)c1 763889066 VVNMPIVLYYPEDB-BETUJISGSA-N 408.459 -0.349 50 20 HBGD CCCCNS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)COCC)c1 764325324 JNPYBGSOYJUZBP-UHFFFAOYSA-N 400.457 -0.113 50 20 HBGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1 764426132 TWSXPAHBMJENRN-GFCCVEGCSA-N 422.419 -0.617 50 20 HBGD CCn1nc(C)c(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1Cl 766639429 QGVMJBOCBMGTCQ-UHFFFAOYSA-N 422.833 -0.927 50 20 HBGD COc1c(F)cc(S(=O)(=O)NNC(=O)[C@H]2CCc3nncn3C2)cc1[N+](=O)[O-] 793448403 RUSNCEWTJCYLKK-QMMMGPOBSA-N 414.375 -0.094 50 20 HBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@H]1CCc2nnn(C)c2C1 809980069 HLKMFGAKLHMNIC-NSHDSACASA-N 405.484 -0.017 50 20 HBGD COc1ccnc(NNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)n1 914763633 ZHROXYVPFOZMDJ-UHFFFAOYSA-N 406.424 -0.637 50 20 HBGD CC(C)CN1C(=O)/C(=C/NNC(=O)c2ccc(-n3cnnn3)cc2)C(=O)NC1=S 920980091 WOEDJICAVJNVPN-NTUHNPAUSA-N 414.451 -0.320 50 20 HBGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)NC1CCOCC1 1317913169 HPGMVCGRPBDRNM-UHFFFAOYSA-N 412.468 -0.170 50 20 HBGD Cn1cccc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779029376 WRTQULKZMMIBIX-FQEVSTJZSA-N 412.450 -0.219 50 20 HBGD O=C1NC(=O)[C@H](CC(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](F)Br)C3)C2)N1 1781327224 YSYVSUJKQPWPBQ-HNXYLICVSA-N 421.223 -0.895 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)[C@H]3C[C@]3(F)Cl)C2)C1 1784065990 MJOHYIZZHYOPGV-FHLIZLRMSA-N 410.638 -0.266 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)C(F)(F)Cl)C2)C1 1784175792 XEPFDQQQRUBVEZ-OAHLLOKOSA-N 417.800 -0.040 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cnccn3)[C@H]2C1 1784250033 YDBLPVKBRXKXNO-XIRDDKMYSA-N 418.498 -0.628 50 20 HBGD Cc1cn(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](F)Cl)CCO3)c(=O)nc1O 1785351531 SXCUNOXAKOXJTM-BLLLJJGKSA-N 402.810 -0.378 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC(C)(C)O)C2 1796440910 DQJKFOORUZKIAZ-MGRLTOJPSA-N 419.482 -0.129 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnoc1 1796527212 NYKKPXRCKRHFBS-JJLQDPRZSA-N 400.395 -0.810 50 20 HBGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCC(=O)NC1)C2 1800754182 HZALQEWSWSDMQU-GHMOJZLGSA-N 402.289 -0.114 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(O)n1)C2 1801009611 RVSKDFYLCGFOHZ-IVWMJMPLSA-N 405.455 -0.637 50 20 HBGD CC[S@@](=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801011337 HMKONYJRNNBYAU-RAHIHUTESA-N 416.544 -0.892 50 20 HBGD CC(=O)NCC(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1812624687 OMGBIIYOMAFTIP-JXFKEZNVSA-N 418.498 -0.404 50 20 HBGD CN1CC(C(=O)NC[C@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)C1 1813608012 MKJVEJPLKGFVJE-YLJYHZDGSA-N 422.294 -0.357 50 20 HBGD CC(=O)N[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826089727 MLEURFVTJVBUCY-ZYHUDNBSSA-N 424.527 -0.047 50 20 HBGD O=C(CCN1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830722466 CBEHZLRQDGVWKZ-VQIMIIECSA-N 417.934 -0.082 50 20 HBGD CN(C)c1ncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)o1 1830725260 MNRPQQQYJRQOPE-PXAZEXFGSA-N 416.862 -0.590 50 20 HBGD O=C(c1cnnc(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830726507 YZBMPDDYLOXPRZ-BLLLJJGKSA-N 419.265 -0.200 50 20 HBGD O=C(c1cnnc(Cl)c1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1833203768 JBJFTXFVJQFNET-LRDDRELGSA-N 419.265 -0.200 50 20 HBGD CC[C@H](NC(N)=O)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833310738 QRXMXHJTFXGFFU-LSDHHAIUSA-N 417.938 -0.395 50 20 HBGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)n[nH]3)C2)C1 1834822331 HWZWOEMRQXEKSS-HNNXBMFYSA-N 417.260 -0.030 50 20 HBGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncon3)CCO2)C1 1838319507 VSMAAJVNJUNVAF-QMTHXVAHSA-N 403.233 -0.077 50 20 HBGD C/C=C(\C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1839820014 CILCIYDJVSTFNZ-ZESSIIENSA-N 417.466 -0.279 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1cncn1)CCO2 1840421494 UOEHBSWDCQEUQU-KEYYUXOJSA-N 415.878 -0.451 50 20 HBGD C[C@H](CBr)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CC(=O)NC1=O 1847495150 ZFVXMSLUUAINDA-VWYCJHECSA-N 401.261 -0.229 50 20 HBGD CNS(=O)(=O)c1ccc(CNC(=O)NNC(=O)CNC(=O)c2ccco2)s1 726087635 KGRZHGATMKTYDZ-UHFFFAOYSA-N 415.453 -0.490 50 20 HBGD C[C@H]1CN(C(=O)Cn2cc(NC(=O)NNC(=O)c3cnccn3)cn2)C[C@H](C)O1 756836564 BOSBGHYZXOWUFE-RYUDHWBXSA-N 402.415 -0.225 50 20 HBGD CCS(=O)(=O)N1CCC(CNC(=O)NNC(=O)Cn2nc(C)cc2C)CC1 758741027 BRHYZVCDNYIWMC-UHFFFAOYSA-N 400.505 -0.108 50 20 HBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 764326018 DGKZDBSLENRNJG-MRXNPFEDSA-N 419.482 -0.025 50 20 HBGD COC(=O)C1(NCC(=O)NNC(=O)c2cccc(Cl)c2)CCS(=O)(=O)CC1 770176114 ILGZXYYTTDNXFX-UHFFFAOYSA-N 417.871 -0.189 50 20 HBGD COCc1noc(CN2CCN(C(=O)NNC(=O)CNC(=O)c3ccco3)CC2)n1 780977228 JJWXLSFEETUTJA-UHFFFAOYSA-N 421.414 -0.903 50 20 HBGD CN(C(=O)N1CCN(S(=O)(=O)CBr)CC1)[C@H]1CCS(=O)(=O)C1 790260284 FRXUFBNIWHAVOU-JTQLQIEISA-N 418.335 -0.475 50 20 HBGD CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)NNC(=O)CNC(=O)c1cccs1 799911507 FRWDLHKHVTVKRE-MNOVXSKESA-N 417.513 -0.474 50 20 HBGD CC[C@@H]1CN(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C[C@@H](C)S1(=O)=O 804869123 UEUNKRRJLWLFOE-BXUZGUMPSA-N 407.456 -0.086 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(F)c(N2CCCNC2=O)c1 806807003 SRJAQHAIRRYDLZ-VIFPVBQESA-N 416.435 -0.164 50 20 HBGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)cc1 816817905 MZAKFPNYUWZVRM-OLZOCXBDSA-N 414.484 -0.085 50 20 HBGD CN(C)N(C(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1)[C@H]1CCS(=O)(=O)C1 913126063 GDVZLKFQFIDDDU-ZFWWWQNUSA-N 411.459 -0.262 50 20 HBGD CO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CCO2)C1 1783987243 LQZULCUTAHSKFR-HFPPPRFQSA-N 405.455 -0.015 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4cccnc34)C[C@@H]21)[C@H](O)CCl 1784093037 PDPIELQGRBHGIA-MHEUCROKSA-N 407.858 -0.078 50 20 HBGD N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnccc4C(=O)NN)[C@H]3C2)CC1 1788610501 CIYUVCLJLSYYDZ-RCBQFDQVSA-N 412.450 -0.418 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C(Cl)Cl)C[C@@H]21)[C@@H](O)N1CCOCC1 1788655733 PEZNPRPQYLGIIU-CENBSLRLSA-N 410.298 -0.580 50 20 HBGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)N(C)C)C2 1792867049 UHHMRFRZRITZTN-FMSGJZPZSA-N 419.320 -0.122 50 20 HBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)C(=O)c1ccccc1 1793227654 DBZMMPBOATUOBY-KYHPRHEASA-N 423.897 -0.052 50 20 HBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801012280 SFGAUDXPVVXOLS-OQMKEHIESA-N 404.895 -0.797 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2nc[nH]n2)[C@@H]1c1cccnc1 1813069913 BPBJYCIELTYBNF-WMLDXEAASA-N 414.470 -0.108 50 20 HBGD O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1825664579 KXHCMZDLHALZNM-GFCCVEGCSA-N 413.220 -0.863 50 20 HBGD O=C(CCc1cnccn1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830739088 YKSQJQBQXJRANA-QAPCUYQASA-N 412.874 -0.535 50 20 HBGD Cn1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1=O 1831881463 RCJGNFHTOPWMDN-KBXCAEBGSA-N 413.858 -0.945 50 20 HBGD Cn1ncnc1C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834819613 WTBIYWGWHIMJDH-HNNXBMFYSA-N 416.276 -0.330 50 20 HBGD CC(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Br)CCO2 1840035022 DFVBRTXWNWYHJB-XHDPSFHLSA-N 406.277 -0.638 50 20 HBGD C[C@H](C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1)n1ccccc1=O 1843014239 OKQHOFYHUNCOTG-OAHLLOKOSA-N 409.251 -0.394 50 20 HBGD C[C@H](Nc1cnccn1)C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1844278409 VAQWVRLNJLPVKQ-AWEZNQCLSA-N 409.255 -0.526 50 20 HBGD COCCNS(=O)(=O)c1ccc(C(=O)NNC(=O)CNC(=O)c2ccco2)cc1 725741410 QPNQKKDIAXFFJC-UHFFFAOYSA-N 424.435 -0.605 50 20 HBGD C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C)C2=O 728178430 ARZCYRRBRSINGP-XNJGSVPQSA-N 400.501 -0.021 50 20 HBGD CCS(=O)(=O)N1CCC[C@H](C(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)C1 732259499 FVEJKAXCYHEXFL-KKUMJFAQSA-N 404.533 -0.305 50 20 HBGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)N[C@@H]1CCN(CC(F)(F)F)C1=O 732573475 RWUVJALHGGWCBM-LLVKDONJSA-N 412.332 -0.231 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 746096495 HQLCLTWBLBEJMA-LLVKDONJSA-N 421.479 -0.178 50 20 HBGD CCCNS(=O)(=O)c1ccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1 756775576 JHWTXTBZWJUXBJ-JTQLQIEISA-N 421.501 -0.535 50 20 HBGD O=C(COC(=O)C[C@@H]1C=CS(=O)(=O)C1)NNC(=O)[C@H]1COc2ccccc2O1 756832567 VRNFPOHMJNQJNU-SMDDNHRTSA-N 410.404 -0.535 50 20 HBGD CCOC(=O)C(C)(C)n1cc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cn1 757719491 AFMVTQVCQDEOAZ-VIFPVBQESA-N 404.449 -0.728 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1 758032027 ZCOHKIRYMHEHSH-MRVPVSSYSA-N 420.373 -0.015 50 20 HBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)c1cncnc1 760455425 RHGYZLGQVUYOQZ-UHFFFAOYSA-N 419.463 -0.109 50 20 HBGD CCN(CC)CCOc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)cc1 764431733 FLOHASHXEYWLAP-MRXNPFEDSA-N 408.455 -0.092 50 20 HBGD O=C(CC(=O)OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)NCC(F)(F)F 764573818 JWBIUHPHULSUJM-UHFFFAOYSA-N 406.273 -0.032 50 20 HBGD COc1nc(N(C)C)sc1C=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O 767300437 JLAVMHCUZRIORC-UHFFFAOYSA-N 413.485 -0.748 50 20 HBGD COC(=O)Cn1cc(C(C)=NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)nn1 772836872 JPVWVOSZTBOAPM-UHFFFAOYSA-N 422.467 -0.080 50 20 HBGD Cc1cc(S(=O)(=O)NNC(=O)[C@H]2CCc3nncn3C2)ccc1OCC(=O)O 793451344 RIWLVHUWVRQQAO-NSHDSACASA-N 409.424 -0.378 50 20 HBGD O=C(CN1CCN(C(=O)C(=O)N2CCCC2)CC1)NNC(=O)c1ccccc1Cl 917130401 IJWJBLZFPNKGMO-UHFFFAOYSA-N 421.885 -0.132 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccncn3)CCO2)C1 1779030184 IIIXCWYYNTUXTH-IBGZPJMESA-N 411.422 -0.768 50 20 HBGD CC[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1783961568 ZDSVQEGZFSHCLT-KSYCFECVSA-N 405.455 -0.951 50 20 HBGD CN1CCC[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786983743 YNYUUFPRLAECFE-WNHJNPCNSA-N 415.299 -0.946 50 20 HBGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)O1 1793421064 HIDRIQKRHIKOPA-OSUNSFLBSA-N 404.261 -0.142 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cnc[nH]1 1794010680 WHVRRJYNMUYRSQ-HBCWATKFSA-N 406.487 -0.695 50 20 HBGD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)cnc1C 1794260044 DGMVMXAYXNGOKB-OPVJXMOQSA-N 423.278 -0.105 50 20 HBGD COc1nccnc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1794683039 JMDPKCIOYRXUGT-MUJYYYPQSA-N 410.239 -0.269 50 20 HBGD COC1(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)CCC1 1795740922 PWVFECWBYIRYLJ-HGKCTWBKSA-N 416.283 -0.471 50 20 HBGD Cc1nc(C)c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)o1 1830732960 ZCNFRRPFCNNVDD-CXAGYDPISA-N 401.847 -0.039 50 20 HBGD CC(=O)N[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833312271 OGXJMSHALQOUHC-LRDDRELGSA-N 402.923 -0.318 50 20 HBGD O=C(c1nc2ccccn2n1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1836392417 MVJYIPLHISEBNL-ACJLOTCBSA-N 423.857 -0.601 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)no3)CCO2)C1 1838111469 WVNCMQDKGPJMAA-MEDUHNTESA-N 403.819 -0.296 50 20 HBGD CN1C(=O)CC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1839216337 OPQOXUSNBGRTGH-ZBEGNZNMSA-N 408.282 -0.133 50 20 HBGD CCCn1c(=O)n(CCC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c2ccccc21 729275101 KYRBZLHXMBXLEY-LBPRGKRZSA-N 411.484 -0.312 50 20 HBGD COC(=O)N(C)CCCC(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 729777533 ASHHEFNLQZWTLL-AWEZNQCLSA-N 409.395 -0.005 50 20 HBGD C[C@H]1CN(CCC(=O)NNC(=O)c2ccc(S(=O)(=O)N(C)C)o2)C[C@H](C)O1 732261555 NHXKLJVJCWOESO-RYUDHWBXSA-N 402.473 -0.210 50 20 HBGD COCCN1C(=O)/C(=C\NNC(=O)c2cnn(-c3ccccc3)c2)C(=O)NC1=S 733369222 FEMZHPXFMBRSFY-UVTDQMKNSA-N 414.447 -0.120 50 20 HBGD COc1ccc(CCC(=O)NNC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 746396130 BPPKRPOPOOKROT-QGZVFWFLSA-N 418.494 -0.044 50 20 HBGD O=C(CCc1ccccc1)NNC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1 764192836 PGEQMZFITKHCIG-UHFFFAOYSA-N 414.466 -0.066 50 20 HBGD CCCCOc1cccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 764225946 CZQSMZIQNMHXNE-LLVKDONJSA-N 400.457 -0.111 50 20 HBGD Cn1nc(SCC(=O)NN=Cc2cncc(Br)c2)c(=O)n(C)c1=O 767360209 KQLCTSGWQKQROH-UHFFFAOYSA-N 413.257 -0.121 50 20 HBGD CCC1(CC)NC(=O)N(CC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1=O 913155933 GUQXWEOZFSSJHJ-UHFFFAOYSA-N 400.399 -0.466 50 20 HBGD C[C@@H](CNC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12)CN1CCN(C)CC1 1319244461 OMHNQHRDTJGWPU-AWEZNQCLSA-N 415.498 -0.239 50 20 HBGD CCN1CCC(N2CCC(C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)CC2)CC1 1326730781 ZNGREGRADDCVGU-HNNXBMFYSA-N 400.545 -0.235 50 20 HBGD CS(=O)(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@H](B(O)O)C1 1329292316 IINXUWNIIKYBQR-JSGCOSHPSA-N 416.692 -0.052 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)CN3CCN(C(C)=O)CC3)C2)C1 1778353926 DJPDOXDILQNXOD-LPHOPBHVSA-N 414.934 -0.002 50 20 HBGD CN[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)CO[Si](C)(C)C)C2)C1)C(=O)O 1779296517 UIOLBFMODUAGAD-SUMWQHHRSA-N 401.536 -0.270 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1783875383 MHZQEUHPWHRQRG-CRAIPNDOSA-N 410.663 -0.936 50 20 HBGD Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)cn1 1801009419 HFRRSGKFOSDNNI-HGKCTWBKSA-N 403.483 -0.034 50 20 HBGD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)n1cccc1 1801254762 ONALTQBNAJUUQZ-RMRDIRSESA-N 411.267 -0.368 50 20 HBGD COC(OC)C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809977550 IVPJFRIJGYFADI-UHFFFAOYSA-N 404.272 -0.170 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)[C@H]3CNC(=O)C3)sc2C1 1825207962 CEZYIJUREBTTMD-GHMZBOCLSA-N 422.511 -0.436 50 20 HBGD O=C(c1cc2cn[nH]c2cn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731605 MVZNVSQCVKHSKA-CRAIPNDOSA-N 423.857 -0.372 50 20 HBGD CC[C@@H](NC(N)=O)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833310734 QRXMXHJTFXGFFU-CABCVRRESA-N 417.938 -0.395 50 20 HBGD Cn1nncc1C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834819688 YKOJWWKAOQYZBT-HNNXBMFYSA-N 416.276 -0.330 50 20 HBGD Cn1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)n1 1836055392 JJAQRZFTXJYTNP-PBHICJAKSA-N 400.863 -0.981 50 20 HBGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 1840032406 XZVXFFUHOHVZFD-HSMVNMDESA-N 418.288 -0.495 50 20 HBGD CC[C@H](Br)C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CNC2=O)C1 1841848626 DWTJKDMUMFWQJA-JTQLQIEISA-N 401.261 -0.085 50 20 HBGD O=C([C@H](F)Br)N1CC2(CCCN2C(=O)CNCP(=O)(O)O)C1 1842874805 SEPHMDVQNSVKIG-VIFPVBQESA-N 402.157 -0.395 50 20 HBGD CC(C)c1ccc(C(=O)O)cc1S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 728509619 JDIWUOCYXCAJOB-VIFPVBQESA-N 407.470 -0.245 50 20 HBGD Cc1cc(NC(=O)CN2CCN(C(=O)NNC(=O)Cc3cccnc3)CC2)no1 728957086 IRQJCTFZDPKSJW-UHFFFAOYSA-N 401.427 -0.082 50 20 HBGD CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)NNC(=O)Cc1ccccn1 733040766 JRZVRVXUAXSOJU-UHFFFAOYSA-N 421.479 -0.233 50 20 HBGD CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1 740903742 UDVCFXADKFBSKT-OCCSQVGLSA-N 407.456 -0.038 50 20 HBGD CS(=O)(=O)N1CCN(CCNC(=O)NNC(=O)COc2ccc(F)cc2)CC1 749351554 DTWOSPQGRUKNLW-UHFFFAOYSA-N 417.463 -0.888 50 20 HBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cn(-c2ccc(C(F)(F)F)cn2)nn1 751063793 SAOHWWKXOPHSGC-QMMMGPOBSA-N 418.357 -0.123 50 20 HBGD COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NNC(=O)Cc2cc[nH]n2)C1=O 755284922 IOCPQUWPUVXYBN-SFHVURJKSA-N 400.395 -0.425 50 20 HBGD CC(C)c1cnc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)s1 755392756 MEDODFZJCUCPCX-UHFFFAOYSA-N 420.455 -0.134 50 20 HBGD NC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 763572393 RCBMLJFSSAUZGJ-HNNXBMFYSA-N 414.374 -0.523 50 20 HBGD CCOC(=O)Cn1cccc(NC(=O)C(=O)NNC(=O)Cc2ccc(F)cc2)c1=O 763918707 KSCFETPLKVVIBL-UHFFFAOYSA-N 418.381 -0.121 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc(F)c(F)c2F)n(C)c1=O 766635928 JTQUTTHXFKJERU-UHFFFAOYSA-N 410.312 -0.688 50 20 HBGD C[C@H]1CN(C(=O)NNC(=O)CNC(=O)c2cccs2)CCN1S(C)(=O)=O 776318944 GYRJHKZQSHQHOV-JTQLQIEISA-N 403.486 -0.816 50 20 HBGD Cn1c(=O)c2cc(C(=O)NNC(=O)CCNC(=O)OC(C)(C)C)cnc2n(C)c1=O 780974103 PBUNTFMHGFUMRH-UHFFFAOYSA-N 420.426 -0.692 50 20 HBGD COCCO[C@@H]1COCC[C@@H]1NC(=O)NNC(=O)C1CCN(c2ncccn2)CC1 1116663032 SVIREFOXVPESIO-JKSUJKDBSA-N 422.486 -0.156 50 20 HBGD COc1ccc(C(=O)NNC(=O)CN2CCN(CC[S@](C)=O)CC2)cc1OC 1319384796 KFGWYWKKRZYDEF-NDEPHWFRSA-N 412.512 -0.539 50 20 HBGD O=C(CSc1nnc(N2CCOCC2)n1C[C@H]1CCCO1)NNC(=O)C1CC1 1329668947 CTGGZBWKWSCLFK-CYBMUJFWSA-N 410.500 -0.057 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)C(F)(F)Cl)CCO2 1779034288 QIDLEQYEHBGOFX-OAHLLOKOSA-N 417.800 -0.040 50 20 HBGD C[C@H](CBr)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1783156408 OCIJLNWCESXCLV-BFQNTYOBSA-N 402.289 -0.017 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCOC3=O)[C@H]2C1 1784282628 GIMRWYMSGFMZAN-XUXIUFHCSA-N 403.863 -0.328 50 20 HBGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cnnn3)[C@H]2C1 1787093964 AYKJXQVPJPJJDT-RHYQMDGZSA-N 401.265 -0.564 50 20 HBGD Cc1ocnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1789029195 CNHVJSFWFXZWAL-XIRDDKMYSA-N 413.239 -0.430 50 20 HBGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]2C1)n1cnnn1 1789927034 OFXFNQMGLVAAJT-DGORSVRFSA-N 419.255 -0.096 50 20 HBGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ncccn4n3)C[C@@H]21 1791254317 OALRXOQRVMLMKO-XUXIUFHCSA-N 422.873 -0.029 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C(=O)O)ncn1 1794680371 JJUMQQOFDNESFR-CLLJXQQHSA-N 418.454 -0.200 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccs1)C2)c1ccc(B(O)O)cc1 1795732490 MAQSBVWYJMLKIN-AGGWBTHJSA-N 401.253 -0.660 50 20 HBGD CC(C)O[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1797861180 WNPGHNVUXLAOAL-NYCLONFESA-N 404.272 -0.617 50 20 HBGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801012646 DLEGERUACDTTCO-OHTBPHCPSA-N 419.320 -0.268 50 20 HBGD Cn1ncnc1C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809967736 JCGXWSDQKMYNIE-UHFFFAOYSA-N 411.271 -0.347 50 20 HBGD CN(C)C(=O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827050811 GNHPYYAVISRTSG-SFHVURJKSA-N 415.299 -0.312 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1 1839147923 HEVVLHLLBJXYNS-YVEFUNNKSA-N 419.862 -0.997 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cnnn3)C2)C1 1839152159 PMSRBRVAEPYLEC-LSDHHAIUSA-N 421.285 -0.634 50 20 HBGD O=C(c1ccnc2c1OCO2)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014188 IUKKWJXLGSAHHV-UHFFFAOYSA-N 409.207 -0.379 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)[C@@H]1CCC(=O)N1)C2 1843415763 JVAJBGNXMKGZOX-OFJBCHTGSA-N 400.439 -0.398 50 20 HBGD O=C1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)Cc3cccnc3)c2)CCN1 728850924 GVURBHFFVFZSLC-UHFFFAOYSA-N 417.447 -0.794 50 20 HBGD COCCNS(=O)(=O)c1c[nH]c(C(=O)NNC(=O)Cc2cn3ccccc3n2)c1 746636888 ICONOPQZXMGLHL-UHFFFAOYSA-N 420.451 -0.409 50 20 HBGD O=C(O)CNC(=O)c1ccc(S(=O)(=O)NNC(=O)[C@H]2Cc3ccccc3O2)cc1 748214200 HKFYDQBWSCYDHV-OAHLLOKOSA-N 419.415 -0.186 50 20 HBGD Cc1ccc(C)c(OCC(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)c1 755036567 VWBKHAXQUBGWKU-ZDUSSCGKSA-N 409.468 -0.070 50 20 HBGD COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccccc2)cc1 763426583 ZJQBFHAWAHFLSC-UHFFFAOYSA-N 412.402 -0.082 50 20 HBGD CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)CO)cc1 764429659 VBLVBSSOQMDLGT-UHFFFAOYSA-N 420.447 -0.020 50 20 HBGD CCc1ccc([C@@H](C)C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 765730990 QIMBDDLNUSXHKG-GFCCVEGCSA-N 412.450 -0.053 50 20 HBGD CNC(=O)c1ccc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cn1 766653770 SZQAKBNBFNLZBN-UHFFFAOYSA-N 424.461 -0.340 50 20 HBGD CCOC(=O)c1ccc(C)c(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 788749071 REKUZSIBILUUKX-SNVBAGLBSA-N 407.470 -0.581 50 20 HBGD COc1cc(C(=O)NNC(=O)NC2CC(NS(C)(=O)=O)C2)cc(OC)c1OC 800983706 SDBPFCPJWVTNMR-UHFFFAOYSA-N 416.456 -0.263 50 20 HBGD CC(=O)Nc1ccc(O)c(C(C)=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)c1 915958711 RSCAFKYPDZXCLC-UHFFFAOYSA-N 420.451 -0.225 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3cocn3)CCO2)C1 1779030882 JPNPVTQMQGNGCP-GOSISDBHSA-N 400.395 -0.570 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3ncccc3F)C2)C1 1779811789 ZLHMOKJUUKAKKV-HXUWFJFHSA-N 413.214 -0.342 50 20 HBGD Nc1n[nH]c(CCC(=O)N2CCO[C@]3(CCN(C(=O)[C@H](F)Br)C3)C2)n1 1781332097 TWOJUTPTLAIRRZ-SMDDNHRTSA-N 419.255 -0.160 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCOC1)C2 1782214386 PLVLWVKNBOHEHN-JXXFODFXSA-N 410.515 -0.090 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3cc[nH]n3)C2)C1 1782792396 RMRKVHRXGBUQIT-LJQANCHMSA-N 413.438 -0.906 50 20 HBGD COCCOCCOCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792982579 JJNDYFSCZOWPBT-IVSAIRAKSA-N 422.906 -0.755 50 20 HBGD O=C(CNC(=O)c1cccs1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1794115219 LCOAYJAEYOKWLG-OXIQGZBJSA-N 415.899 -0.333 50 20 HBGD CC(C)(C)[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797748631 NSUFLOQHGUAIIB-NOXHYTERSA-N 419.482 -0.705 50 20 HBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)C=CC2=O)[nH]n1)[C@@H](O)CCl 1814877859 MPZQKZFPNHOWPN-NEPJUHHUSA-N 409.830 -0.074 50 20 HBGD Cn1cnc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)n1 1816320027 TWFQCVJTIQJYJN-OAHLLOKOSA-N 423.242 -0.162 50 20 HBGD C[C@H](NC=O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817476832 DNVNFHYEQODYIP-LRDDRELGSA-N 413.243 -0.470 50 20 HBGD NC(=O)c1nccnc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](O)CCl)CC2 1821033568 XUSPPGOLMCCHHN-CBAPKCEASA-N 424.870 -0.143 50 20 HBGD Cc1cccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)n1 1830911930 AQMNITGUVTZNJQ-QFBILLFUSA-N 411.886 -0.011 50 20 HBGD NC(=O)[C@@H](N)CCC(=O)NC1CCN(C2CCN(C(=O)[C@H](F)Cl)CC2)CC1 1834733706 ZFIANXBJSACHKZ-ZFWWWQNUSA-N 405.902 -0.315 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cccn3)CCO2)C1 1836174046 LKNSPEDOYZFCJX-PBHICJAKSA-N 400.863 -0.407 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@H]1F)CCO2 1839099849 WNVSKPOBKOKWFZ-IYOUNJFTSA-N 400.451 -0.826 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1840154168 NTKTVGKMNWODSI-YVEFUNNKSA-N 414.846 -0.906 50 20 HBGD Nc1n[nH]c(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(Cl)Cl)CCO3)n1 1840188498 MVMAQVZOIPCELB-OAHLLOKOSA-N 421.285 -0.420 50 20 HBGD O=C(COc1ccc(O)cc1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843012933 UIUPOLHHXFXUCU-UHFFFAOYSA-N 410.235 -0.032 50 20 HBGD CC(C)(C)n1cc(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)nn1 1843014423 IRUBICVPAGKKHS-UHFFFAOYSA-N 411.271 -0.156 50 20 HBGD COC(=O)c1ccc(Cl)cc1S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 728510328 HAFRXTIOQBTYPZ-ZETCQYMHSA-N 413.861 -0.626 50 20 HBGD NS(=O)(=O)c1ccc(CCNC(=O)NNC(=O)COc2ccccc2O)cc1 730903163 JYKBNFLNPDDGKK-UHFFFAOYSA-N 408.436 -0.009 50 20 HBGD O=C(COC(=O)CNC(=O)c1ccccn1)NNC(=O)c1ccc([N+](=O)[O-])cc1 740337570 LAOQSIFXAQXOCX-UHFFFAOYSA-N 401.335 -0.276 50 20 HBGD COc1ccccc1NCC(=O)NNC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 743294018 PGCWSVWTSHGZBP-KFZJALRRSA-N 402.407 -0.583 50 20 HBGD CC(=O)N[C@@H](CC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1ccc(F)cc1F 758038383 DILCCQIJNADGNI-SDBXPKJASA-N 406.411 -0.383 50 20 HBGD Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)C(=O)Nc2ccccn2)cc1 758833940 NEOCEKDDORNFOT-LBPRGKRZSA-N 405.436 -0.157 50 20 HBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 764204439 NYLDQZHHPIWTST-UHFFFAOYSA-N 411.484 -0.491 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc2c(c1)nc(C1CC1)n2C 764228251 WNGHVLZVEAKLSK-VIFPVBQESA-N 422.467 -0.526 50 20 HBGD Cc1cccc2cc(C(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)oc12 765732963 YWGZLRSYNKUHJL-UHFFFAOYSA-N 410.390 -0.050 50 20 HBGD Cc1ncc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C(C)C)n1 766644915 QRIHMIKXFGUXEN-UHFFFAOYSA-N 414.426 -0.883 50 20 HBGD COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NNc2ccc(C(N)=O)nn2)C1=O 771617403 UDXDARYYPHUTEP-SFHVURJKSA-N 413.394 -0.506 50 20 HBGD CN(C)CC(=O)NNC(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1 775601803 YGEONRNTPTXBFX-UHFFFAOYSA-N 405.503 -0.389 50 20 HBGD O=C(CN1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)NNC(=O)c1ccccc1 779622203 IOMGITGBHABHBK-MRXNPFEDSA-N 410.496 -0.426 50 20 HBGD Cc1ccccc1C(=O)NNC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 786103676 QTUFLNDLMVJIQP-UHFFFAOYSA-N 401.427 -0.688 50 20 HBGD CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)=NO1 798929571 WTBDOEWFCVSZQR-UWVGGRQHSA-N 419.460 -0.827 50 20 HBGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1cnnn1-c1ccccc1 807960422 GQPJXTZGHKOIMI-UHFFFAOYSA-N 414.451 -0.308 50 20 HBGD CN(C)S(=O)(=O)CCNC(=O)NNc1nc(O)c2cnn(C(C)(C)C)c2n1 812693178 SMLNTNAZHZHCKD-UHFFFAOYSA-N 400.465 -0.196 50 20 HBGD Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)NNC(=O)[C@H]1CCCO1 815779664 PZCWTSRNUYMTQY-CABCVRRESA-N 404.423 -0.131 50 20 HBGD CN(C)N(C(=O)c1cc(S(=O)(=O)N(C)C)ccc1O)[C@H]1CCS(=O)(=O)C1 1117717709 UYJMESDDKAZLDL-NSHDSACASA-N 405.498 -0.252 50 20 HBGD CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)NNC(=O)CN1CCCC1=O 1262182812 BTDWBZPFNGIMQG-UHFFFAOYSA-N 407.452 -0.649 50 20 HBGD Cn1ccnc(NNC(=O)[C@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)c1=O 1331750266 VOVPSTGWBHJBHZ-CQSZACIVSA-N 411.422 -0.227 50 20 HBGD CSCCNC(=S)NNC(=O)c1ccc(S(=O)(=O)NC[C@@H](C)O)cc1 1335808101 ILPKGPYFNHQIPX-SNVBAGLBSA-N 406.555 -0.182 50 20 HBGD O=C1NCc2cc(C(=O)N3CC[C@@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)ccc21 1778722303 SZKARPQJTJEQEU-DNVCBOLYSA-N 407.854 -0.027 50 20 HBGD CC(C)NCCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779031157 MPAYTABINVAAQU-FQEVSTJZSA-N 418.498 -0.483 50 20 HBGD C[Si](C)(C)OCC(=O)N1CC[C@]2(C1)CN(C(=O)c1nccnc1C(N)=O)CCO2 1779297966 CWESKIGOASMRSS-SFHVURJKSA-N 421.530 -0.130 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@](C)(O)C(F)(F)F)CCO2 1783933183 DAAZNUIRQQCUMD-CVEARBPZSA-N 424.420 -0.497 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](N)c1ccccn1)CCO2 1783933937 ODNHCNCHEVAMMC-QUCCMNQESA-N 418.498 -0.716 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)COc3cccnn3)C2)C1 1784460317 KIHRYZRTKRAMRS-LJQANCHMSA-N 420.470 -0.942 50 20 HBGD NC(=O)[C@@H](N)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1786891551 ZFJXEFAGLLWKCD-CCJOIDDDSA-N 423.283 -0.751 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(N)s3)C[C@@H]21 1791289307 SIVQXRAYGDGPNL-AVGNSLFASA-N 424.527 -0.308 50 20 HBGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCOCC1)C2 1792868346 WLIBVTNGCNKHER-AYDFFVQHSA-N 418.332 -0.061 50 20 HBGD CC(C)(C)OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1793754663 LUZMPURGYQTDPJ-JLVBRIDZSA-N 404.272 -0.615 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)c1ccccc1)C2)c1ccc(B(O)O)cc1 1795734710 MHTGGNQEZLPFQQ-HNJRGHQBSA-N 424.262 -0.697 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2)[C@@H](F)Cl 1796369795 FFDUUXMYLJFAPT-IWXIMVSXSA-N 409.892 -0.029 50 20 HBGD CC(C)(C)OC(=O)N[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1799679616 GHWFRYANEXVJGF-OJROKELRSA-N 421.878 -0.981 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)COCCO)CC1 1830375812 MFOPTQNBODWVIC-KRWDZBQOSA-N 412.531 -0.012 50 20 HBGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CS(C)(=O)=O)C2)C1 1831647353 UBTNJALOEPHTQS-BBRMVZONSA-N 410.920 -0.105 50 20 HBGD COc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)n1 1833761453 JNCYAYVQRQFAOJ-KDOFPFPSSA-N 413.858 -0.240 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccnc1)CCO2 1834009914 OFWAAGLFNLEBQP-FQEVSTJZSA-N 419.482 -0.475 50 20 HBGD CC[C@H](NC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)C(Cl)Cl)CCO2)C1 1840187470 CWCKMBZSEOQKBM-BONVTDFDSA-N 411.286 -0.307 50 20 HBGD CSCC[C@H](O)C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1846395212 SLQOCKUNBQENMN-AWEZNQCLSA-N 407.496 -0.384 50 20 HBGD CC(=O)Nc1cccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cccc(B(O)O)c2)n1 1848306277 XFXCNSQIKFZJBG-ROUUACIJSA-N 422.250 -0.151 50 20 HBGD COc1cc(C=NNC(=O)[C@H](C)NS(C)(=O)=O)cc(Cl)c1OCC(N)=O 728434249 KVURNANGJPMYMA-QMMMGPOBSA-N 406.848 -0.400 50 20 HBGD CNC(=O)Cn1nc(NC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cc1C 757824010 VYVLHHPYNKOZRI-UHFFFAOYSA-N 412.410 -0.349 50 20 HBGD COCC(=O)N(C)CC(=O)OCC(=O)NNC(=O)c1cc(Cl)ccc1OC 758800976 PQTLUIHNGUZJCO-UHFFFAOYSA-N 401.803 -0.242 50 20 HBGD O=C(NC1CC1)N[C@H]1CCN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)C1 760654784 FMNIZWMFYDYMBY-LBPRGKRZSA-N 423.499 -0.130 50 20 HBGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 763871551 HMEATUPUZLWEMB-LLVKDONJSA-N 420.401 -0.336 50 20 HBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(N2CCN(CC(=O)OC)CC2)cc1 784915430 NNXBJOYYLDQBIK-UHFFFAOYSA-N 420.470 -0.387 50 20 HBGD CC(=NNC(=O)C[C@@H](C(=O)NN=C(C)c1cc[nH]n1)N1CCOCC1)c1cc[nH]n1 814855433 MFEICEVWEMUVEW-INIZCTEOSA-N 415.458 -0.396 50 20 HBGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)c1cc(S(N)(=O)=O)cnc1C 815276433 XGAIXVXNFZSOCJ-UHFFFAOYSA-N 420.447 -0.107 50 20 HBGD CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)cc1 815779185 VDMGJFDXFAUFER-CQSZACIVSA-N 412.468 -0.020 50 20 HBGD C[C@H]1CN(CCC(=O)NNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 912919104 JLNMCZCMQHBJQC-BETUJISGSA-N 407.427 -0.029 50 20 HBGD Cc1cc(C)cc(OCC(=O)NNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c1 914878847 PVXXYJZEEKBRTP-LSDHHAIUSA-N 423.491 -0.135 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@](C)(O)C(F)(F)F)CCO2 1783933186 DAAZNUIRQQCUMD-JKSUJKDBSA-N 424.420 -0.497 50 20 HBGD CC1CCN(CC(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)CC1 1783933814 ZKSDHYAALHUBKW-NRFANRHFSA-N 423.558 -0.079 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)N3CCCC3)C[C@@H]21)[C@@H](O)CCl 1784085730 OJQLLVROYDPKNA-VGWMRTNUSA-N 415.918 -0.032 50 20 HBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(O)O)C2 1793879843 PPBLKJAXISGQBQ-USZNOCQGSA-N 421.878 -0.981 50 20 HBGD Nc1ncc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)s1 1796138193 VFGLQTLHBCXPBE-BTTYYORXSA-N 400.269 -0.029 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)[C@@H]1CCCS1(=O)=O 1796190333 PFMJAXFWNUGEDT-YVSFHVDLSA-N 420.296 -0.805 50 20 HBGD C[Si](C)(C)OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)n1 1796356045 FRTRRZMXTJRQAC-QHBPRCKVSA-N 410.503 -0.058 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN(C)C)C2 1796439996 ATXFOJADBHRVIX-RBZXCYDUSA-N 418.498 -0.338 50 20 HBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCCO1)C2 1797748004 CKRXSAOGUGSCBP-DLTLXFJOSA-N 417.466 -0.543 50 20 HBGD CC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)CC)C2 1799263649 RRFAFTGESVSJJE-PEBLQZBPSA-N 409.936 -0.079 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccncc1=O)C2)[C@H](F)Br 1799347004 JWJGUFCYUVDQOM-DJBIQUGXSA-N 417.235 -0.477 50 20 HBGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)N(C)C)C2 1800753865 AGRIDFFCFUAKNI-HNCHTBHHSA-N 405.293 -0.369 50 20 HBGD C[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2)n1ccnn1 1801338174 NWCFPAIUVJHQIX-FQUUOJAGSA-N 412.454 -0.210 50 20 HBGD Cn1ncnc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817473048 AXAGPRILOBYCRW-HNNXBMFYSA-N 423.242 -0.162 50 20 HBGD CN1CCCC[C@@H]1C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830720010 QRNSIUUWULGPKE-IIDMSEBBSA-N 403.907 -0.473 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccccn1)CCO2 1833989388 CEYJPASVTJNPKB-HXUWFJFHSA-N 419.482 -0.475 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccn(C)n3)CCO2)C1 1834250075 VHZARKCVALXEKB-CXAGYDPISA-N 400.863 -0.256 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CC[C@@H](N)C(N)=O)C2)C1 1839143860 JSXPRHLVCWVKQR-AHIWAGSCSA-N 404.895 -0.947 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3nnc(C)o3)C2)C1 1840151798 NSCFDTHZBXDQQM-SUMWQHHRSA-N 416.862 -0.369 50 20 HBGD CN[C@@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2)C(=O)O 1840188264 ZNUHJATUFDXDPL-BONVTDFDSA-N 412.270 -0.691 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cnn(C)c3)CCO2)C1 1840466793 XXFDSYJPZNHDJE-MAUKXSAKSA-N 414.890 -0.327 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2ccc(Cl)nn2)C1 1844426520 WAXKPSWTYFVOPK-UHFFFAOYSA-N 400.631 -0.059 50 20 HBGD CCOC(=O)C1(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)CC1 1845895954 SMMMEICRNOICNU-UHFFFAOYSA-N 400.240 -0.473 50 20 HBGD CN1N=C(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CCC1=O 16202591 FTPHLVPXALVKKA-UHFFFAOYSA-N 423.451 -0.923 50 20 HBGD COc1ccc(NCC(=O)NNC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)cc1 725880424 FUERFLJUECPCNB-UHFFFAOYSA-N 424.483 -0.335 50 20 HBGD CCN1C(=O)C(=CNNC(=O)CNC(=O)c2cccs2)C(=O)N(CC)C1=S 725905188 YEOQTYMQPYPAKP-UHFFFAOYSA-N 409.493 -0.022 50 20 HBGD NC(=O)c1ccccc1N1CC[C@@H](NC(=O)NNC(=O)CNC(=O)c2ccco2)C1 732572346 BUCNWQBMRJUUAR-GFCCVEGCSA-N 414.422 -0.282 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)Nc2cccc(C(N)=O)n2)cc1 757738184 KYLTUALBDUSVME-UHFFFAOYSA-N 420.451 -0.038 50 20 HBGD CS(=O)(=O)N1CCN(CC(=O)NNC(=O)c2cc(Br)c[nH]2)CC1 759637862 WZQZTCGHQMOWKD-UHFFFAOYSA-N 408.278 -0.885 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NN=C3CCN(C)C3=O)CC2)cc1 761828844 QYTUIWWLABVZRY-UHFFFAOYSA-N 407.496 -0.364 50 20 HBGD CN(C)CC(=O)NNC(=O)C(=O)N1C[C@@H](CC(=O)N(C)C)c2cc(Cl)ccc21 764203928 MMHOYFSZKZJGMS-LLVKDONJSA-N 409.874 -0.043 50 20 HBGD CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)NNC(=O)CN(C)C)c1 764211855 LTZKOBXMZSGEKO-GFCCVEGCSA-N 413.500 -0.448 50 20 HBGD COc1cc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c(OC)cc1Cl 764229804 CFYCCYZEYKFRFV-SSDOTTSWSA-N 422.847 -0.619 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 770424628 RTYQUNUHQNOBIE-TZMCWYRMSA-N 412.468 -0.270 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc(F)c(O)c(Cl)c2)n(C)c1=O 772382867 BOLFPWSRTMTAAI-UHFFFAOYSA-N 424.776 -0.607 50 20 HBGD CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NNC(=O)C(C)(C)O)n2C 787946691 HCTNFCWCEQIVRZ-UHFFFAOYSA-N 411.484 -0.326 50 20 HBGD CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NNC(=O)CNC(=O)OCc1ccccc1 794069505 IGQVETUXLAMEDP-OAHLLOKOSA-N 419.438 -0.813 50 20 HBGD COc1cc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c(C)c(OC)c1 800623860 YZNKAFXLZRGRAF-SECBINFHSA-N 402.429 -0.964 50 20 HBGD CCc1oc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)cc1C(=O)OC 800809843 HNEJOQONEBWAGO-UHFFFAOYSA-N 409.424 -0.337 50 20 HBGD CCN(CC)S(=O)(=O)CC(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1 802066946 FHQYGHYHBQIVLJ-UHFFFAOYSA-N 406.486 -0.086 50 20 HBGD N#Cc1ccc(S(=O)(=O)NCC(=O)NNC(=O)Cc2cn3ccccc3n2)cc1 810464530 AZBNGHCHNLPXPZ-UHFFFAOYSA-N 412.431 -0.126 50 20 HBGD C=C[C@](C)(O)CC(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 810593370 ZGQITEZOWNMWOD-IBGZPJMESA-N 424.523 -0.224 50 20 HBGD Cc1cc(C)nc(NNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)n1 911436289 MILOFDULKOGCEG-UHFFFAOYSA-N 404.452 -0.029 50 20 HBGD O=C(CN1CCN(C(=O)[C@H]2CCCO2)CC1)NNC(=O)c1ccc([N+](=O)[O-])cc1 916147956 TWPVRIPRKSWZLG-OAHLLOKOSA-N 405.411 -0.321 50 20 HBGD CCS(=O)(=O)c1ccc(F)c(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1 1330314648 NNMACKGFVTWRDE-VIFPVBQESA-N 407.445 -0.250 50 20 HBGD O=C(Cc1ccccc1O)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1783235512 QNWBPVYQPRZLNX-QFIPXVFZSA-N 424.262 -0.242 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(CN(C(=O)/C=C/c3cnc[nH]3)CCO2)C1 1783937031 DQTQIQJJSVJXDQ-JUGMSXHOSA-N 404.471 -0.374 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)C(F)(F)Cl)C2)C1 1784172874 CTBIXGUIWJPLCK-OAHLLOKOSA-N 402.590 -0.359 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)[C@@H]1CCC=CO1 1788580661 GGRGOPSSVXTTOX-WNHJNPCNSA-N 414.267 -0.348 50 20 HBGD Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)nc1C 1794485598 DMCBAYHGRSRYKX-XEMDLRDOSA-N 423.278 -0.105 50 20 HBGD CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Cl 1796366877 JYFRXBGXHJRFNZ-FBUUZDRASA-N 409.842 -0.047 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nc2ncccn2n1)c1cccc(B(O)O)c1 1797476631 WQCKFFRNSHAXBG-MUJYYYPQSA-N 420.238 -0.630 50 20 HBGD CS(=O)(=O)N1CCC(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H](O)CCl)C3)CC1 1797705313 PMSDVEGCSGXLBA-XGUBFFRZSA-N 421.947 -0.104 50 20 HBGD CC(=O)C[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1800940632 OONFLMDLERRSCE-DPYKFYPSSA-N 417.466 -0.497 50 20 HBGD CCOC(=O)C1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)CC1 1801485774 BQXKZIRTQXEVAZ-BJWYYQGGSA-N 414.267 -0.039 50 20 HBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)C=CC2=O)[nH]n1)[C@H](O)CCl 1814877862 MPZQKZFPNHOWPN-VXGBXAGGSA-N 409.830 -0.074 50 20 HBGD Cn1ncnc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1816301733 VYEVNVNAAIFFSO-OAHLLOKOSA-N 423.242 -0.162 50 20 HBGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CNC(=O)C2)[nH]n1 1822416833 QPYANQCIASYAMD-JSGCOSHPSA-N 419.486 -0.089 50 20 HBGD C[C@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2)n1cnnn1 1830370256 NMNKBBNEKWIKEP-DYVFJYSZSA-N 414.894 -0.045 50 20 HBGD CC1CCN(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)CC1 1831098780 PIRKKXYSFLCQAG-VQIMIIECSA-N 417.934 -0.226 50 20 HBGD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1832795973 IXKUDTORNCBKHA-DZGCQCFKSA-N 419.797 -0.218 50 20 HBGD C/C=C(/C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837460380 FCAYDQXOZYNRAF-KCLYGTHZSA-N 417.466 -0.279 50 20 HBGD COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)nn1C 1838832408 YJOMDCTVSPCCQO-SUMWQHHRSA-N 416.862 -0.902 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1839151621 YBWWTCLFOXWLHJ-JCURWCKSSA-N 422.309 -0.042 50 20 HBGD Cc1n[nH]c(C)c1CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839238398 LFYKMWBZLJTCSO-MAUKXSAKSA-N 414.890 -0.375 50 20 HBGD NC(=O)CS(=O)(=O)c1ccc(C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)cc1 742599130 DPHAYWXXVMPHDH-HNNXBMFYSA-N 403.416 -0.290 50 20 HBGD CCN(CC)S(=O)(=O)N1CCN(CC(=O)NNC(=O)c2cccc(C#N)c2)CC1 744385413 JDBZQFDPWXTPDL-UHFFFAOYSA-N 422.511 -0.477 50 20 HBGD CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)N2CCOCC2)cc1 746177111 DLUMPQICALBLGZ-UHFFFAOYSA-N 414.440 -0.785 50 20 HBGD NS(=O)(=O)c1cc(C(=O)NNC(=O)N2CCOCC2)sc1Br 746519114 DGKZYJJOSHYYGX-UHFFFAOYSA-N 413.275 -0.155 50 20 HBGD O=C(NNC(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl)C(=O)NC1CC1 748692852 BBENVHVZVQGRRQ-UHFFFAOYSA-N 400.844 -0.226 50 20 HBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 778440476 HFAMBSVZZDGSEX-ZDUSSCGKSA-N 404.427 -0.221 50 20 HBGD O=C(COC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)NNC(=O)c1ccccc1 785657833 NZJQCFDEKYWEOK-MRXNPFEDSA-N 418.450 -0.829 50 20 HBGD NC(=O)N1CCC[C@@H](C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)C1 805296764 FQLNFTRAGONYHI-BXUZGUMPSA-N 406.395 -0.692 50 20 HBGD NS(=O)(=O)c1cccc(S(=O)(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 817938846 ULKSIPRYFRYHJJ-CQSZACIVSA-N 413.433 -0.517 50 20 HBGD C[C@H](C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1 919886459 RRCKDNRJXBBQDB-MWLCHTKSSA-N 407.445 -0.495 50 20 HBGD C[C@H]1CN(c2ccnc(C(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)c2)C[C@@H](C)O1 1116799964 MSSIFERZZBSGIN-FRRDWIJNSA-N 411.484 -0.174 50 20 HBGD CO/C=C(\C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779031661 CQGARVVWFZOEPJ-QHSLDKKCSA-N 403.439 -0.321 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CCO2 1779034033 JFWCEANWZQEGNC-NARAOEGZSA-N 415.450 -0.979 50 20 HBGD Cc1n[nH]c(C)c1C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783935164 OLVPFDDDMLNUCU-LJQANCHMSA-N 406.487 -0.157 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)C(=O)c1cccn1C)CCO2 1783937350 GODMERVHNCZWDA-HXUWFJFHSA-N 419.482 -0.589 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(O)n3)[C@H]2C1 1786047607 HIAWFJUFUREJTQ-DZKIICNBSA-N 419.482 -0.247 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(O)cc3)C[C@@H]21)c1ccc(B(O)O)cc1 1786981712 HXWFPIMQVBDAMV-VDGAXYAQSA-N 424.262 -0.021 50 20 HBGD CC(C)(C)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984329 DSPCZAXAQUZEPU-SZMVWBNQSA-N 417.315 -0.652 50 20 HBGD CC[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 1789865391 SKIQPCXJPIFVDZ-RVMXOQNASA-N 403.863 -0.474 50 20 HBGD CC[C@H](C)[C@@H](N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791289162 MBKOAOYNIOVEGP-SIBFUHKCSA-N 411.547 -0.288 50 20 HBGD CC(=O)N(C)[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796191007 NWKFZQSTZXZSQT-BIMQEMHKSA-N 401.272 -0.515 50 20 HBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnoc1)C2 1797750957 WTZLARQGJVBMNX-JJLQDPRZSA-N 400.395 -0.810 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)CNC(N)=O)sc2C1 1828328914 LUGNWCQRXXGLOB-SECBINFHSA-N 411.488 -0.904 50 20 HBGD C[C@H](CC(N)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1831609650 QTXCTKLIZBXRSX-KDOFPFPSSA-N 415.563 -0.194 50 20 HBGD O=C(C[C@H]1NC(=O)NC1=O)NC1CCN(C2CCN(C(=O)[C@@H](F)Cl)CC2)CC1 1833761241 PXCRESYTLHPZMP-TZMCWYRMSA-N 417.869 -0.310 50 20 HBGD COc1ncccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1834125598 VLJMTGGGTQNAOQ-KSSFIOAISA-N 413.858 -0.240 50 20 HBGD O=C(c1ccc(CO)o1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837964322 CHIPJJPAFJADBW-DYVFJYSZSA-N 402.831 -0.558 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(=S)NC)C2)C1 1839145528 LBWFINGGNLBYOP-GUYCJALGSA-N 420.963 -0.056 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)cco3)C2)C1 1840150776 QOKLIFHXELDRJA-RDTXWAMCSA-N 414.842 -0.036 50 20 HBGD C[C@@H](CBr)C(=O)N1CC2(CCCN2C(=O)CN(C)C(=O)C(=O)O)C1 1845808497 AKWLFEDLLHRSTN-JTQLQIEISA-N 404.261 -0.236 50 20 HBGD COc1ccc([C@]2(C)NC(=O)N(CC(=O)NNC(=O)c3cnn(C)c3)C2=O)cc1 735443996 NJTFIRHOWRYGSG-SFHVURJKSA-N 400.395 -0.343 50 20 HBGD CCn1nc(C(=O)NNC(=O)CN2C(=O)NC(=O)C2(C)C)c2ccccc2c1=O 735833812 RALZZPGXEPRSKW-UHFFFAOYSA-N 400.395 -0.492 50 20 HBGD Cc1cc(C)cc(OCC(=O)NNC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1 742472846 WNJIRFZQRVSZPJ-DTDBQYNISA-N 401.419 -0.008 50 20 HBGD COCCNC(=O)CSc1ccccc1C(=O)NNC(=O)C(=O)N1CCCC1 748247010 SBYUEPBJJCWYMZ-UHFFFAOYSA-N 408.480 -0.075 50 20 HBGD C[C@]1(c2ccc(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)cc2)NC(=O)NC1=O 748517298 SKYCFHFDFBNXOG-LJQANCHMSA-N 420.389 -0.208 50 20 HBGD Cn1c(N)c(C=NNC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)c(=O)n(C)c1=O 749813872 FZPCEDBTUXEBFU-UHFFFAOYSA-N 423.474 -0.301 50 20 HBGD COc1ccccc1OCC(=O)NNC(=O)NC[C@H]1CCCN1S(C)(=O)=O 753001826 ZFUBUHBOZXWRLH-GFCCVEGCSA-N 400.457 -0.172 50 20 HBGD CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCC(=O)NNc1ccc(C(N)=O)nn1 761102279 XWHNLGIICVPBKO-LBPRGKRZSA-N 421.458 -0.076 50 20 HBGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 763572760 OWQXIYJQNDQMTF-CZUORRHYSA-N 415.406 -0.012 50 20 HBGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2c(OC)ncnc2N(C)C)cc1 763659878 SWLVEVJQEQFXIS-UHFFFAOYSA-N 418.410 -0.275 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccccc1OCC(F)F 764230670 JBXKAICMZVXKIE-MRVPVSSYSA-N 408.383 -0.646 50 20 HBGD COCCCS(=O)(=O)N1CCN(CC(=O)NNC(=O)c2cccc(C)c2)CC1 770253686 VNKLRCBZLCWSKC-UHFFFAOYSA-N 412.512 -0.260 50 20 HBGD O=C(CN1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)NNC(=O)c1cccs1 779621985 DHDITODTKBKFLR-CYBMUJFWSA-N 416.525 -0.365 50 20 HBGD CC(C)Oc1cc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)ccc1C(N)=O 788773659 YNPKRMHBTPKZHZ-SECBINFHSA-N 401.445 -0.337 50 20 HBGD COc1ccc(NCC(=O)NNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 825522245 ITYAVCWZIVGOBP-UHFFFAOYSA-N 417.447 -0.007 50 20 HBGD CNS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1 906369217 BPARFCALBWOKNP-UHFFFAOYSA-N 413.433 -0.053 50 20 HBGD COc1cc(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cnc1Br 1116736602 WNMVHBSKBQIUTO-QMMMGPOBSA-N 407.246 -0.016 50 20 HBGD C[C@H](CBr)C(=O)N1CCO[C@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1 1778933772 RJHLFQGNPNRGAY-BMIGLBTASA-N 401.261 -0.277 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccccn3)CCO2)C1 1779029322 VSLUIUXLQNMZQH-FQEVSTJZSA-N 410.434 -0.163 50 20 HBGD CN(CC(=O)N1CCO[C@@]2(CCN(C(=O)CO[Si](C)(C)C)C2)C1)C(=O)C(=O)O 1779298318 DVFJALJGAIUERK-QGZVFWFLSA-N 415.519 -0.789 50 20 HBGD C[C@H](NC=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2 1780726671 AQGYOEYUBPWWCT-QMTMVMCOSA-N 411.503 -0.992 50 20 HBGD CNc1nsnc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784084660 ZJYAJZNJOKAUTI-NAKRPEOUSA-N 403.892 -0.227 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCS3(=O)=O)C[C@@H]21)[C@H](O)CCl 1784093812 GMDNSRZVKQQNSK-HPCHECBXSA-N 408.904 -0.857 50 20 HBGD CCOC(=O)/C=C/C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796187045 JCEZJVKAPUJHTI-MDKZVNDUSA-N 400.240 -0.263 50 20 HBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)n1 1796358552 VXFCHQVIQUCXHN-BSTOTGJRSA-N 400.819 -0.655 50 20 HBGD CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Cl 1796363719 ZPQLLDHMDKJLRT-FPYNETTCSA-N 423.869 -0.004 50 20 HBGD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)ccc1O 1799553853 XETGVYNGZWAQFM-XEMDLRDOSA-N 424.262 -0.103 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(F)cn1)C2 1801009654 YGCUUDGVLORQTI-IVWMJMPLSA-N 407.446 -0.203 50 20 HBGD O=C(CN1C(=O)CNC1=O)N1CCCC2(CCN(C(=O)[C@H](O)CCl)CC2)C1 1806582045 GZLBVFDTHTWRHM-GFCCVEGCSA-N 400.863 -0.631 50 20 HBGD O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1812877994 CKPGCFCYYODJBI-JXFKEZNVSA-N 421.218 -0.831 50 20 HBGD O=C1CN(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H](O)CCl)CC2)C(=O)N1 1824178849 LSRGAYIVIWZKPV-KBPBESRZSA-N 414.890 -0.242 50 20 HBGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1)n1ccnc1 1830972703 YFSCJQYZPGXDKD-CKEIUWERSA-N 400.863 -0.500 50 20 HBGD CNC(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1831275244 ZRZXIPODZZTUGH-KRWDZBQOSA-N 401.536 -0.570 50 20 HBGD Cn1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cccc1=O 1833869596 OWESHSKUYUKAHB-KSSFIOAISA-N 413.858 -0.945 50 20 HBGD CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4C(=O)NN)C3)C2)CC1 1834624773 VHJBHLRQTXEZCX-FQEVSTJZSA-N 417.466 -0.445 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCCC3=O)CCO2)C1 1835413542 DPFBOZIJUFZQGL-KBXCAEBGSA-N 417.890 -0.681 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc(C)cn3)CCO2)C1 1836202050 HYPKBAPLURRJGO-YJBOKZPZSA-N 414.890 -0.098 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)n3cncn3)C2)C1 1840156578 VZNGDYIWMLWEOP-ZQIUZPCESA-N 415.878 -0.451 50 20 HBGD CS(=O)(=O)c1ccc(C(=O)N2CCCC23CN(C(=O)[C@@H](O)CCl)C3)nc1 1842254185 MOEAWGWZXGEVAK-ZDUSSCGKSA-N 401.872 -0.098 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)[C@H](O)Cc2ccccc2)C1 1846064769 NATCMTPOZZYADO-LJQANCHMSA-N 408.263 -0.213 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CC[C@H]2[C@@H]1CCN2C(=O)C1CCC(CO)CC1 1848081487 YDQTZTFQDXQKTM-BURPLHJFSA-N 400.284 -0.020 50 20 HBGD NS(=O)(=O)c1cnn(CC(=O)NNC(=O)c2cc(F)ccc2Br)c1 728611078 TYAYKBIOWDPVBY-UHFFFAOYSA-N 420.220 -0.107 50 20 HBGD Cc1nn(-c2ccccc2)c(C)c1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 764231323 OKOUECQVDSPJBV-NSHDSACASA-N 422.467 -0.487 50 20 HBGD O=C(NNS(=O)(=O)N1CCOCC1)c1cccc(S(=O)(=O)N2CCCC2)c1 765016784 ZPZMQXQCAAKKDA-UHFFFAOYSA-N 418.497 -0.718 50 20 HBGD CN1N=C(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)CCC1=O 765738714 NHXUJJOKPCDKET-UHFFFAOYSA-N 400.439 -0.800 50 20 HBGD CCOC(=O)NNC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 769935831 BWUWJNWNGRGKQC-LLVKDONJSA-N 420.469 -0.065 50 20 HBGD C[C@H](C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1)N1CCSCC1 774991032 ZBLKZKZKKGBRSQ-IUODEOHRSA-N 409.464 -0.046 50 20 HBGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 795161571 PVXRCHRHGZQZGU-CZPYZCIJSA-N 422.463 -0.458 50 20 HBGD CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)NNC(=O)CNC(=O)OC(C)(C)C)C1 806035194 SCMIXAGCENQKPH-LLVKDONJSA-N 422.508 -0.888 50 20 HBGD COC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)[C@H]1OCC[C@H]1c1ccccc1 815629142 VJQQDJRIEHFSIG-JSGCOSHPSA-N 415.406 -0.135 50 20 HBGD Cc1csc(CC(=O)NNC(=O)CN2CCN(c3ccc(C(N)=O)cn3)CC2)n1 917104317 XKUSCCQIUPEMMF-UHFFFAOYSA-N 417.495 -0.542 50 20 HBGD C[C@H]1CN(C[C@@H](C)C(=O)NN=Cc2nc3c(c(O)nc(=O)n3C)n2C)C[C@@H](C)O1 920371585 UHPINVGZGZYYBI-UTUOFQBUSA-N 405.459 -0.432 50 20 HBGD CCc1ccc(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1S(C)(=O)=O 1116422152 MHTQUDSTMKLSKV-LBPRGKRZSA-N 403.482 -0.216 50 20 HBGD COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NNC(=O)N(C)C 1337966536 GPNFWDGIXBZLNJ-LBPRGKRZSA-N 400.457 -0.469 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CCO2 1779034034 JFWCEANWZQEGNC-ROYATCLZSA-N 415.450 -0.979 50 20 HBGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CNC(=O)O1)C2 1782172139 QHHCWSHNSFPKBI-IPJQOSJUSA-N 403.863 -0.138 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](N)c1ccccn1)CCO2 1783933938 ODNHCNCHEVAMMC-UYAOXDASSA-N 418.498 -0.716 50 20 HBGD NC(=O)c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)cc1 1784095367 COMJWBDPWBGWMI-VGWMRTNUSA-N 409.870 -0.022 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)[C@@H]1CCC=CO1 1788581823 ZAHAHLCWLYKYDF-WNHJNPCNSA-N 414.267 -0.348 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2)c1cccc(=O)n1O 1794360280 YXDSRHGBJHMYLS-FQPOAREZSA-N 418.219 -0.021 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1cc(O)nc(O)n1 1796191067 VENQDGCHZBTAKN-BTTYYORXSA-N 412.211 -0.867 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1cn2ncccc2n1 1796191526 UANMUGGJSCNQDU-BJWYYQGGSA-N 419.250 -0.025 50 20 HBGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)nc(O)n1)C2 1802332913 KFDXTHKJTNWTBA-ZSBIGDGJSA-N 406.443 -0.487 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3ccc[nH]3)C2)C1 1835938087 KDCNVLRAKWVWFS-FQEVSTJZSA-N 413.239 -0.922 50 20 HBGD Cc1n[nH]c(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837801233 JULKRNZKSGNFNJ-SUMWQHHRSA-N 400.863 -0.304 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 1840153800 AWOQCQODTYWLEJ-QAPCUYQASA-N 413.858 -0.356 50 20 HBGD Cc1nnsc1C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1843512269 YNXAQUXYUIXDHH-UHFFFAOYSA-N 401.452 -0.024 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)CC(F)(F)C(=O)O)C2 1844264121 HGFOEKPGOKZFDV-UHFFFAOYSA-N 411.365 -0.388 50 20 HBGD C[C@@H](Nc1cnccn1)C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1844279075 IMNHONMKYKHIMN-CYBMUJFWSA-N 424.465 -0.207 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1846384115 FXVFGTGORVRANU-UHFFFAOYSA-N 407.431 -0.632 50 20 HBGD Cn1c(=O)c2cc(C(=O)NNC(=O)COc3ccc(F)cc3)cnc2n(C)c1=O 46577580 YCBCTFVPTNKLMV-UHFFFAOYSA-N 401.354 -0.389 50 20 HBGD O=C(COC(=O)CNC(=O)c1ccccn1)NNC(=O)[C@@H]1COc2ccccc2O1 740336998 GDBLWLVMDSVFIX-HNNXBMFYSA-N 414.374 -0.658 50 20 HBGD Cn1ccc(N2CCC[C@H](NC(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)C2=O)n1 743511401 KWARDGGLMVBROS-AWEZNQCLSA-N 424.425 -0.465 50 20 HBGD NC(=O)c1ccc(/C=C/C(=O)N2CCC[C@H]2C(=O)NNC(=O)N2CCOCC2)cc1 745995836 DUUSJNXDIWMRLY-WHWKNOJMSA-N 415.450 -0.137 50 20 HBGD CC(=O)NC[C@H]1CCn2ncc(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)c2C1 753290717 FHAWJPSQUVCVNB-LBPRGKRZSA-N 408.459 -0.133 50 20 HBGD C[C@H](C[S@](C)=O)NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 753357978 IVWGTESIZROZNB-RYZVSIALSA-N 418.545 -0.589 50 20 HBGD Cc1ccc(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c(C)c1C(=O)O 753774318 HZTGEIKSZXGSLM-JTQLQIEISA-N 405.454 -0.319 50 20 HBGD CC(C)C[C@H](C)n1nccc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764227638 OSNLLSWLHTWFOK-WDEREUQCSA-N 402.477 -0.486 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2occc2Br)n(C)c1=O 764812722 PWCWWUDJQSFQHY-UHFFFAOYSA-N 409.200 -0.061 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2c[nH]c3ccc(C#N)cc23)n(C)c1=O 764816599 KUPBTVHDXYQXAL-UHFFFAOYSA-N 404.390 -0.063 50 20 HBGD CC(C)[C@H](C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1)N1CCCS1(=O)=O 773182341 AZPYUMXIEVPSIN-MRXNPFEDSA-N 422.463 -0.077 50 20 HBGD COc1cccc(C(=O)NNS(=O)(=O)c2ccc(S(C)(=O)=O)nc2)c1O 794583249 ZCLJNRWAGIUBSJ-UHFFFAOYSA-N 401.422 -0.177 50 20 HBGD O=C(CN1CCCNC1=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 915260545 PXHGYGNQCXTQLY-UHFFFAOYSA-N 409.468 -0.353 50 20 HBGD O=C(NCC(F)(F)F)NNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 918708092 ISPJRKZBTCMKAD-UHFFFAOYSA-N 400.335 -0.193 50 20 HBGD O=C(CCN1CCOC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1788135793 UUVHPPGNLYBRCE-XUXIUFHCSA-N 403.863 -0.592 50 20 HBGD CC(C)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNCP(=O)(O)O)C2 1792783091 LZXBYLRHPFRSKF-PTEHBNRSSA-N 411.823 -0.434 50 20 HBGD O=C(CNC(=O)c1cccnc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1793956383 SEUCXJCGAYFVOE-FQLMCAECSA-N 410.858 -0.999 50 20 HBGD Cc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)n1 1794680392 OVSLZTKLQNCAFE-HGKCTWBKSA-N 409.251 -0.413 50 20 HBGD Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)no1 1801283483 ZGZILDHTOPCFAA-HBCWATKFSA-N 407.471 -0.512 50 20 HBGD CC(C)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 1830359041 KEHDXRUQDRPXMX-ACJLOTCBSA-N 401.891 -0.014 50 20 HBGD CCOC(=O)/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1834769614 NXEWCAWZQPLYHL-ZIWYEXBPSA-N 404.847 -0.838 50 20 HBGD O=C(CCN1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1835129057 ZSNBUCXMOZOFPF-APWZRJJASA-N 417.934 -0.082 50 20 HBGD CCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835931850 DYKILEKYCRHCLY-NRFANRHFSA-N 418.299 -0.127 50 20 HBGD CN1CCN(CCC(=O)N2CC3(CCCN3C(=O)CCC(=O)NN(C)C)C2)CC1 1846384546 GNWINWRNDFWZLK-UHFFFAOYSA-N 408.547 -0.800 50 20 HBGD O=C(CNC(=O)c1ccc(Br)o1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 9931138 UIADXOBVRNVBAJ-SSDOTTSWSA-N 408.230 -0.646 50 20 HBGD Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NNC(=O)[C@@H]2COCCO2)C1 744648498 CINWQFZCDRGJCI-STQMWFEESA-N 416.456 -0.745 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2cn(-c3ccccc3)nn2)n(C)c1=O 755790582 PAJREWAROUORKL-UHFFFAOYSA-N 407.394 -0.835 50 20 HBGD COC(=O)c1cc(NC(=O)NNC(=O)[C@@H]2COCCO2)cc(S(C)(=O)=O)c1 757673280 BDQCWIWNIUZLNM-LBPRGKRZSA-N 401.397 -0.555 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CCn1c(=O)oc2cc(Cl)ccc21 758050287 ALJYMORVQDJIPB-MRVPVSSYSA-N 404.832 -0.277 50 20 HBGD Cc1nn[nH]c1C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 789874298 AWIHROLHJKWFMW-UHFFFAOYSA-N 422.467 -0.472 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)nc1Br 793024188 CKWNJOKOHBTLIQ-ZETCQYMHSA-N 422.261 -0.824 50 20 HBGD Cn1cc(/C=C/C(=O)NNC(=O)CNC(=O)OCc2ccccc2)c(=O)n(C)c1=O 794069478 HMIBPDWNONHHKJ-CMDGGOBGSA-N 415.406 -0.829 50 20 HBGD CCc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1c(C(=O)OC)cnn1C 815565086 CAFCOXYSDPVJAV-UHFFFAOYSA-N 403.395 -0.066 50 20 HBGD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NNC(=O)[C@H]1CCc2nncn2C1 816881964 UAOHTKXXGGIHGB-JTQLQIEISA-N 415.366 -0.678 50 20 HBGD N#Cc1ccc(S(=O)(=O)NCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 913416369 AYXVRQQULLLOKE-INIZCTEOSA-N 416.415 -0.176 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNc2cncc(Br)c2)n(C)c1=O 1116393900 ACACXURFHNZVTR-UHFFFAOYSA-N 408.216 -0.266 50 20 HBGD CC(=O)NNC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 1320555358 WSRAYGUJXLNJMU-UHFFFAOYSA-N 409.468 -0.306 50 20 HBGD CCS(=O)(=O)CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781326648 ZRNKGIWHFQBQLU-AAEUAGOBSA-N 415.281 -0.059 50 20 HBGD CCN(C)[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1782609740 CZUXNVKGPMEUBV-FOIQADDNSA-N 403.288 -0.850 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1782963293 ZVRKUCWSOBZIRM-WOSRLPQWSA-N 408.904 -0.353 50 20 HBGD Cc1nccnc1C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783935384 OPRDKKAMZYCYRI-LJQANCHMSA-N 404.471 -0.398 50 20 HBGD CS(=O)(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1786648937 UJUQHFIZCDFACU-QFOLPQNPSA-N 415.281 -0.299 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccn(C)n3)C[C@@H]21 1791288825 WGISIKFZJBDICG-DZKIICNBSA-N 406.487 -0.614 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCO1)C2 1796446034 KODVAKMZCRIXDW-XHPRPZMGSA-N 417.466 -0.111 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cnn2c1CCC2 1799964353 ZQKAMMQLKUNPEU-CCWDJLKJSA-N 424.266 -0.974 50 20 HBGD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C)C1(O)CCC1 1801008976 LEGGWSHVLBYOTJ-AFIMGQEJSA-N 410.515 -0.500 50 20 HBGD COCCOCC(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809967698 FWCQEUMJZPJQBW-UHFFFAOYSA-N 418.299 -0.126 50 20 HBGD O=C(c1ccc2nncn2c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830730787 DUCGAHOKVSNBMV-KBXCAEBGSA-N 423.857 -0.601 50 20 HBGD O=C(CCCn1ccnc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830738072 LLGWHHBVLJKBEE-CRAIPNDOSA-N 414.890 -0.281 50 20 HBGD COCC(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1834475998 SVYBVECHRFKTKZ-UHFFFAOYSA-N 403.288 -0.802 50 20 HBGD C/C=C/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939854 LATQWISMSRHKFQ-MESDEOKJSA-N 414.267 -0.431 50 20 HBGD O=C(c1cc2cn[nH]c2cn1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837192253 JQXDITOGJBESPR-MAUKXSAKSA-N 423.857 -0.372 50 20 HBGD CCOC(=O)O[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839681271 JFHCMVQAXBPUIK-XNJGSVPQSA-N 422.862 -0.396 50 20 HBGD O=C(Cc1ccc(F)cc1)NNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 24063149 VBZNBSXIZWOSBV-CYBMUJFWSA-N 410.427 -0.319 50 20 HBGD CCCOC(=O)c1ccc(S(=O)(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 727795705 VLXHUKZELLBJQS-LBPRGKRZSA-N 404.466 -0.002 50 20 HBGD CCS(=O)(=O)N1CCC(C(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)CC1 732263412 MFRQGGFATKCVGN-ZIAGYGMSSA-N 404.533 -0.305 50 20 HBGD C[C@@H](Oc1cccc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)c1)C(=O)O 746683115 RPZXSGLLFUJEGY-SNVBAGLBSA-N 421.435 -0.427 50 20 HBGD COC(=O)c1ccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1C(=O)OC 756819039 UNNGWVATMADMFA-MRVPVSSYSA-N 416.412 -0.650 50 20 HBGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 763534979 NEBITYQFNZUWDL-GFCCVEGCSA-N 421.520 -0.097 50 20 HBGD Cn1cc([N+](=O)[O-])c(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)n1 772058550 FRNAIHPGEJYVLG-GFCCVEGCSA-N 405.323 -0.528 50 20 HBGD CCC(=O)N1CC[C@@H](C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)C1 773068881 LICJLTMQULXEOA-QGZVFWFLSA-N 415.494 -0.150 50 20 HBGD O=C(CCC(=O)N1CCN(S(=O)(=O)CBr)CC1)N1CCOCC1 777831500 BRXTTWZHRSPDFI-UHFFFAOYSA-N 412.306 -0.548 50 20 HBGD CN(C)C(=O)Cn1cnc(NC(=O)C(=O)NN=c2sc3ccccc3n2C)n1 783352539 XIOSIEXSQLBEFT-UHFFFAOYSA-N 402.440 -0.510 50 20 HBGD CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NNC(=O)N=c2cc[nH]cc2)cc1 802035398 GNDFBCAQNCMBPE-UHFFFAOYSA-N 405.436 -0.168 50 20 HBGD O=C1CN(Cc2cccc(NC(=O)C(=O)NNC(=O)CCc3ccco3)c2)CCN1 812980765 ZBNAQBWDWIUOBV-UHFFFAOYSA-N 413.434 -0.070 50 20 HBGD Cc1nc(C)c(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)o1 1779587467 VHLISEOYPUHLBE-FQEVSTJZSA-N 413.239 -0.271 50 20 HBGD CN1CCCC[C@H]1C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1781027258 HEQCIVNGJYKWFI-RXVVDRJESA-N 415.299 -0.706 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4cccnn4n3)C[C@@H]21)[C@@H](O)CCl 1784090811 CHKVVGMLFRDCLP-MZGVZZPPSA-N 407.858 -0.078 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNCP(=O)(O)O)C2)C(Cl)Cl 1801016054 PCNZAOWYSZUEHC-DIYOJNKTSA-N 404.187 -0.896 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2nc[nH]n2)[C@H]1c1cccnc1 1813069908 BPBJYCIELTYBNF-PBHICJAKSA-N 414.470 -0.108 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)[C@H]3CNC(=O)C3)sc2C1 1825207964 CEZYIJUREBTTMD-MNOVXSKESA-N 422.511 -0.436 50 20 HBGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC=O)C2)C1 1830542718 CHMLRHHXVCYEBD-IOASZLSFSA-N 420.304 -0.392 50 20 HBGD CS(=O)(=O)CC(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833308950 FKVXHHDKECPYOL-AWEZNQCLSA-N 409.936 -0.798 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnccn3)C2)C1 1840150355 JRVNXZZKZSGCEJ-CRAIPNDOSA-N 412.874 -0.271 50 20 HBGD Cc1cc(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)nc2nccn12 1845640121 XRSZWEZCYRZTLL-UHFFFAOYSA-N 419.250 -0.152 50 20 HBGD CCn1c(S)nc2cc(C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)ccc2c1=O 10213854 QODHQFSWFPOXEX-JTQLQIEISA-N 410.477 -0.099 50 20 HBGD CC(=NNC(=O)C(=O)NC1CC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 729816474 MRWITYHTHJZXHU-UHFFFAOYSA-N 416.481 -0.469 50 20 HBGD O=C(COC(=O)Cn1ncn2nccc2c1=O)NNC(=O)c1ccc(Cl)cc1 732864962 VLRRGDQCQGASDE-UHFFFAOYSA-N 404.770 -0.451 50 20 HBGD CCN(CC)S(=O)(=O)N1CCN(CC(=O)NNC(=O)c2ccc(C#N)cc2)CC1 744385407 IZQRHUBQQREAAZ-UHFFFAOYSA-N 422.511 -0.477 50 20 HBGD NC(=O)c1nccnc1C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 746093230 KPRNDFIMFMFJAP-UHFFFAOYSA-N 418.435 -0.565 50 20 HBGD COc1ccc(CCC(=O)NNC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 746396129 BPPKRPOPOOKROT-KRWDZBQOSA-N 418.494 -0.044 50 20 HBGD COC(=O)c1cn(CC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)nn1 747348687 OSFKRJSNTXYVIN-UHFFFAOYSA-N 415.454 -0.576 50 20 HBGD O=C(NNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)c1csc(N2CCOCC2)n1 748527098 CWFSQJAWRIMFIH-SNVBAGLBSA-N 405.440 -0.483 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 758028051 YRWBWGUKGHUMBD-VIFPVBQESA-N 411.396 -0.393 50 20 HBGD CCOCCS(=O)(=O)NCC(=O)NNC(=O)c1cc(-c2cccs2)[nH]n1 763163665 MEDHLERLHCTECA-UHFFFAOYSA-N 401.470 -0.145 50 20 HBGD CC(C)n1nc(C(=O)NNC(=O)CN2CCN(C)C(=O)C2)c2ccccc2c1=O 763283538 KYWKZSVTRTXJNG-UHFFFAOYSA-N 400.439 -0.488 50 20 HBGD Cc1ccc(C(=O)NNC(=O)CN2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cc1 779623010 WDIZMASCQLCXMP-QGZVFWFLSA-N 424.523 -0.118 50 20 HBGD CCNC(=O)N(C)NC(=O)C(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 807014801 MDBSGCGNGQDMNA-STQMWFEESA-N 403.439 -0.286 50 20 HBGD CCOC(C)(OCC)C(=O)NNC(=O)CCNS(=O)(=O)c1cn(C)c(C)n1 807371919 UJEJAIBVQBUHGZ-UHFFFAOYSA-N 405.477 -0.666 50 20 HBGD CC(C)(C)C(=O)NNC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 916635815 FLPLZOIWNMCDQZ-UHFFFAOYSA-N 401.445 -0.528 50 20 HBGD Cn1cnc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1 1779030844 IYISBIZHSWJPKC-LJQANCHMSA-N 413.438 -0.824 50 20 HBGD Cc1ccn(C)c1C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1780405020 HHVLINWKGGACGS-OAQYLSRUSA-N 411.267 -0.229 50 20 HBGD CC(C)n1cnc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)n1 1783934637 JEJCORBGYNWGCH-LJQANCHMSA-N 421.502 -0.325 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CNCP(=O)(O)O)C[C@@H]21)[C@@H](F)Cl 1787445902 SLJLHXSMXJTEPP-QFOLPQNPSA-N 401.759 -0.775 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)c1cnn2cccnc12 1788288677 CTFLUCCKEZGCGQ-MHEUCROKSA-N 407.858 -0.078 50 20 HBGD CCn1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)n1 1795737460 ITWIYIAQSOKOSB-JLVBRIDZSA-N 412.255 -0.900 50 20 HBGD N[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2)c1ccccn1 1796058169 GPMQPHBPUVWLKT-ZMMAXQRCSA-N 408.267 -0.287 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCO1)C2 1796440299 KODVAKMZCRIXDW-WGCSPTNMSA-N 417.466 -0.111 50 20 HBGD COc1ccnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)c1OC 1798765173 TUNJMYLNCHTTBU-GFQSEFKGSA-N 413.858 -0.098 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cn[nH]c1)C2 1801010566 HIGGBHPNAJOLQS-CCWDJLKJSA-N 406.487 -0.695 50 20 HBGD O=C(c1cc(=O)n2[nH]nnc2n1)N1CCC2(CCCN(C(=O)[C@@H](O)CCl)C2)CC1 1805523797 VWHXPCNAKZUXQA-LBPRGKRZSA-N 423.861 -0.743 50 20 HBGD CN(CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](O)CCl)n[nH]1)C(=O)C(=O)O 1814875351 WLFGIKLKQFWVJL-GHMZBOCLSA-N 415.834 -0.456 50 20 HBGD COc1ncccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830725451 ONQRIQKOJUWIPO-RDTXWAMCSA-N 413.858 -0.240 50 20 HBGD Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cn1 1833126740 PHHIANOFZJJUIE-QFBILLFUSA-N 411.886 -0.011 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccnc3)CCO2)C1 1834389827 SCGYNKSVMABQLR-RHSMWYFYSA-N 400.863 -0.407 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(O)[nH]3)CCO2)C1 1838071501 QNAQNQOAYTUZQX-MEDUHNTESA-N 402.835 -0.561 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)CNC3=O)C2)C1 1839142287 LLRLDUJJPLBJBP-SJCJKPOMSA-N 416.862 -0.988 50 20 HBGD CN(C)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010961 ZXDMRPCJFOLODJ-UHFFFAOYSA-N 408.267 -0.042 50 20 HBGD CC(C)NC(=O)C(=O)NNC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C)C2)cn1C 730207471 QUFQUAYTTDLXQZ-GFCCVEGCSA-N 413.500 -0.269 50 20 HBGD CN1CCN([C@@H](C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c2ccccc2)CC1 732062982 ZBMALFLOSMPXJR-JKSUJKDBSA-N 409.512 -0.507 50 20 HBGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NC[C@@H]2CN(C)CCN2C)nc1 732474862 LXNNNQUQVOLPOS-CQSZACIVSA-N 413.548 -0.016 50 20 HBGD CS(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)NNC(=O)C3CC3)CC2)c1 734485117 ARZFCROTQNTIJI-UHFFFAOYSA-N 408.480 -0.595 50 20 HBGD COc1ccccc1OCC(=O)NNC(=O)[C@H](C)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 746094609 NLOPTMKLNZQILR-MGNHCAFKSA-N 417.418 -0.228 50 20 HBGD O=C(CNC(=O)c1ccco1)NNS(=O)(=O)c1cccc(C(=O)NC2CC2)c1 751283531 XGXPOTZDZPNUJN-UHFFFAOYSA-N 406.420 -0.089 50 20 HBGD CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)NNC(=O)[C@H]2COc3ccccc3O2)C1=O 752024000 QKQUKZKNZURGJP-LCCAYYTGSA-N 417.422 -0.123 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H](CC(F)F)NC(=O)OC(C)(C)C 758040392 PCQGRTDSUVBMPD-YUMQZZPRSA-N 402.420 -0.380 50 20 HBGD CNC(=O)Cn1cc(NC(=O)C(=O)NNC(=O)COc2cc(C)ccc2C)cn1 763665426 ISNHVVBPHMENPR-UHFFFAOYSA-N 402.411 -0.589 50 20 HBGD CC[C@@H](OC1CCCC1)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765729146 VAHXDUDERWJRPN-GFCCVEGCSA-N 406.443 -0.681 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@@H]2CSc3ccccc32)n(C)c1=O 765732760 SCYKZVHRTVJJMG-LLVKDONJSA-N 414.447 -0.529 50 20 HBGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)CC2)cc1 766648438 JNOAPEKWKSUTKX-OAHLLOKOSA-N 411.528 -0.802 50 20 HBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1O 768177574 ZMXZBTOSTOZCQJ-UHFFFAOYSA-N 400.457 -0.292 50 20 HBGD C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNc1ccnc(N(C)C)n1 771023229 RHZQACDNJBAHSS-JTQLQIEISA-N 407.456 -0.548 50 20 HBGD Cc1noc(C)c1S(=O)(=O)NCC(=O)NNC(=O)Cc1nc2ccccc2n1C 771837585 VTBSCHOKKJOVDD-UHFFFAOYSA-N 420.451 -0.153 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)COC1CCN(C(=O)OC(C)(C)C)CC1 777139237 WDLFMQKMHLFTCU-NSHDSACASA-N 422.504 -0.512 50 20 HBGD NS(=O)(=O)c1cccc(N2C[C@H](C(=O)NNC(=O)N=c3cc[nH]cc3)CC2=O)c1 802028544 BTCNEPMMKAZOTG-LLVKDONJSA-N 418.435 -0.643 50 20 HBGD C[C@H](C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1)S(=O)(=O)C1CCOCC1 1116291442 PDZWFCNHPZRVOE-LLVKDONJSA-N 418.493 -0.167 50 20 HBGD Cc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)no1 1779030613 DHVNMNMEVJAKAR-LJQANCHMSA-N 414.422 -0.261 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)[C@@H]3[C@H]4C=CS[C@H]43)C2)C1 1782734841 DINVGCGXFLTRGX-VIPLHTEESA-N 414.292 -0.315 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)CN1CCCCC1)CCO2 1783933913 MOANLDPVFLYHMM-FQEVSTJZSA-N 409.531 -0.325 50 20 HBGD Cn1ccnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1786164163 DYXXHDJRCCLJPA-XIRDDKMYSA-N 412.255 -0.993 50 20 HBGD CC(=O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791288120 ZVNRNFFGPPSSCK-JYJNAYRXSA-N 410.515 -0.046 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ccc(F)cn3n1)C2)[C@H](O)CCl 1792984357 YORDLBNXYCMACS-IQOUGMIPSA-N 411.821 -0.329 50 20 HBGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@@H](N)C(N)=O 1795638241 YLALZNCKAMQNEV-CYRBOEJBSA-N 419.320 -0.658 50 20 HBGD Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)nc1 1795732428 FERCAPPNRCJVTD-HGKCTWBKSA-N 409.251 -0.413 50 20 HBGD CN1CCCC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795732854 PKYZDIPVHNAIMQ-NBMJBFSESA-N 415.299 -0.946 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1cnccn1)C2)c1ccc(B(O)O)cc1 1795736913 OANKAUNHNOGVNI-HMAWRFLHSA-N 422.250 -0.927 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCCO1 1800728574 HGOQUXDRTAGDEW-XHPRPZMGSA-N 417.466 -0.111 50 20 HBGD NC(=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1831405930 WVJQEINMXJXZIN-SFHVURJKSA-N 415.299 -0.135 50 20 HBGD CC(=O)N[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833312273 OGXJMSHALQOUHC-MLGOLLRUSA-N 402.923 -0.318 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncn3C)CCO2)C1 1834331247 FVTNLGSFJCBCAY-SUMWQHHRSA-N 400.863 -0.256 50 20 HBGD CC(C)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CNC(=O)C3)CCO2)C1 1839867675 ZQABHPMBBPQAGA-ACJLOTCBSA-N 401.891 -0.156 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)C13CC(C1)C3)CCO2 1840598068 MBBFZYQOCSITPB-KUTOWUBSSA-N 414.267 -0.764 50 20 HBGD CNS(=O)(=O)c1cccc(C(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)c1 17195843 YLQTWOXHLHIKFX-UHFFFAOYSA-N 401.404 -0.094 50 20 HBGD O=C(COc1ccccc1O)NNC(=O)N[C@H]1CCN(CCN2CCOCC2)C1 734686433 NLQYQBHQXLJTOJ-HNNXBMFYSA-N 407.471 -0.492 50 20 HBGD N#Cc1cccc(C(=O)NNC(=O)CN2CCN(c3ccc(C(N)=O)cn3)CC2)c1 744388466 QIPSOWXFTHHMRX-UHFFFAOYSA-N 407.434 -0.365 50 20 HBGD CN1CC(=O)N(CCCC(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)C1=O 744584140 WZYRIXCTQMMENO-UHFFFAOYSA-N 401.379 -0.463 50 20 HBGD O=C(Cc1cn2ccccc2n1)NNC(=O)NCCCn1nc2n(c1=O)CCCC2 746757150 GHVIIEZGPBTUIS-UHFFFAOYSA-N 412.454 -0.008 50 20 HBGD Cc1cccc(C(=O)NNC(=O)COC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)c1 751621948 WPWGPDSNFYCCQC-UHFFFAOYSA-N 418.431 -0.203 50 20 HBGD COc1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)on1 753613049 UXEDCNIHAIQFDC-UHFFFAOYSA-N 410.408 -0.221 50 20 HBGD CS(=O)(=O)c1ccccc1-n1cc(NC(=O)NNC(=O)[C@H]2COCCO2)cn1 756705475 KHFJHOLYWHSVGZ-CYBMUJFWSA-N 409.424 -0.156 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(F)cc1CS(C)(=O)=O 757679416 VDCYWUGBYHQMSB-QMMMGPOBSA-N 410.449 -0.539 50 20 HBGD Cc1ccc(C)c(OCC(=O)NNC(=O)C(=O)Nc2cnn(CC(=O)N(C)C)c2)c1 763668047 GRVXWNPYQIOUBM-UHFFFAOYSA-N 416.438 -0.247 50 20 HBGD Cc1cccc(O[C@@H](C)C(=O)NNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)c1C 763841229 PBLXJWUZCRMRBX-PWSUYJOCSA-N 400.457 -0.989 50 20 HBGD Cc1nc(SCC(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)n[nH]1 766644744 VZKIFRMXWBEBHE-UHFFFAOYSA-N 417.495 -0.189 50 20 HBGD C#C[C@@H](NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)[C@H]1CCCO1 776227717 IZVAHVKCSOHZHG-HZPDHXFCSA-N 422.511 -0.175 50 20 HBGD CC[C@H]1C[C@H](CC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CCO1 781710584 PITXYCYRFLZADL-NEPJUHHUSA-N 406.443 -0.824 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cccc(-n3cnnn3)c2)c1 873790905 PGNMVTYDNJFHRR-UHFFFAOYSA-N 415.435 -0.013 50 20 HBGD CCc1nc2ccccc2n1CC(=O)NNC(=O)CNS(=O)(=O)c1cnn(C)c1 917919920 KJCCCCBTKYFIRW-UHFFFAOYSA-N 419.467 -0.542 50 20 HBGD Cn1c(S)nc2cc(C(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)ccc2c1=O 1321947323 BWFOUXMTROJZCZ-SECBINFHSA-N 411.465 -0.647 50 20 HBGD CC[C@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1 1778942449 GSRYZYAZSOCTRF-ZUZCIYMTSA-N 401.261 -0.134 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3ccc(O)cc3)C2)C1 1780741470 PKOYXUCTKNVGFF-OAQYLSRUSA-N 410.235 -0.171 50 20 HBGD CN1CCC[C@H](C(=O)N2CC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)C1 1781005335 JNNWTHKJBJLYGD-OXJNMPFZSA-N 409.531 -0.469 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(CO)o1)CCO2 1783936062 QRGRWDSKAPNJKK-IBGZPJMESA-N 408.455 -0.412 50 20 HBGD CCOCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1784695015 KADMWGKTYVXBMU-LJQANCHMSA-N 405.455 -0.445 50 20 HBGD Cc1cnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)cn1 1785986062 SPKFYZNEBPPLPB-IEZWGBDMSA-N 424.266 -0.628 50 20 HBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=COCC3)C[C@@H]21 1788611072 JKCKAYACVVZGCI-ZLIFDBKOSA-N 415.450 -0.417 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(C)(C)C)C[C@@H]21 1791289368 WDGLFQXGQLFCMF-JYJNAYRXSA-N 411.547 -0.273 50 20 HBGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Cl)C2)[C@@H]1SC(=N)NC1=O 1796422985 GRLLLDZVVYXHKC-OJHQEIPXSA-N 406.867 -0.087 50 20 HBGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)[C@@H]1C=CCN1 1808215242 OKRLWFBRZNDYOX-HOJAQTOUSA-N 420.278 -0.391 50 20 HBGD O=C1C[C@H](C(=O)N2CCC3(CCCN(C(=O)c4ccc(B(O)O)cc4)C3)CC2)CN1 1809973351 ITJZWSKPTILFJD-INIZCTEOSA-N 413.283 -0.653 50 20 HBGD C[C@H](NC=O)C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813074661 ZFWTXFYAOYWQKU-ZSZQSSIHSA-N 418.498 -0.405 50 20 HBGD O=C(C1CC(O)C1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1830585978 MSXOKSIVHKRCGZ-KQFUTBAXSA-N 409.252 -0.096 50 20 HBGD Cc1noc(C)c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830724857 ISQUVSGUFLMQSJ-SUMWQHHRSA-N 401.847 -0.039 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2=NNC(=O)C2)CC1 1831873561 OIIHWHLIXVHULF-MRXNPFEDSA-N 420.514 -0.145 50 20 HBGD O=C(c1[nH]nc2ccncc12)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1836447128 GUWIFRKWRNFEPC-KSSFIOAISA-N 423.857 -0.372 50 20 HBGD CN[C@@H](CC(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)C(=O)O 1836716641 HFQJPYGFBSAHSQ-GJZGRUSLSA-N 419.906 -0.353 50 20 HBGD COC(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CO[Si](C)(C)C)CCO2 1837717618 JGINXYXEWPZVJO-KRWDZBQOSA-N 417.535 -0.350 50 20 HBGD O=C([C@@H]1C=CCN1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199265 LEKRVZKUFYVGLN-SLEUVZQESA-N 406.252 -0.339 50 20 HBGD CC(=O)N[C@H](C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2)C(C)(C)C 1841496820 BWYUTGZOMKLGIT-QGZVFWFLSA-N 415.299 -0.266 50 20 HBGD CC(C)c1nc(CC(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)no1 1843010711 UKFGEHAMWUTRMG-UHFFFAOYSA-N 412.255 -0.068 50 20 HBGD Cn1nc(C(=O)NNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)c2ccccc2c1=O 729617775 GXURVBLVWKJXHB-STQMWFEESA-N 400.439 -0.259 50 20 HBGD COc1ccc(C(=O)NNC(=O)CN2CCC[C@H](CS(N)(=O)=O)C2)cc1OC 733996063 CYIQTKZHHWWOEP-LBPRGKRZSA-N 414.484 -0.535 50 20 HBGD O=C(CNC(=O)c1cccs1)NNC(=O)c1cccc(CN2C(=O)CNC2=O)c1 751209309 ORMMDUVCLPPKDJ-UHFFFAOYSA-N 415.431 -0.009 50 20 HBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)Nc1ccccc1C(=O)N1CCOCC1 755623489 PIPWIJBQVJQFEV-LBPRGKRZSA-N 410.452 -0.254 50 20 HBGD CC1CCC2(CC1)NC(=O)N(CC(=O)NNC(=O)C(=O)Nc1ccccn1)C2=O 758828799 VZHHBUYEMMGQTL-UHFFFAOYSA-N 402.411 -0.332 50 20 HBGD COc1ccc(-c2cc(C(=O)NNC(=O)CNC(=O)CNC(C)=O)n[nH]2)cc1OC 768280234 XDJVULFTLXFITK-UHFFFAOYSA-N 418.410 -0.893 50 20 HBGD CC(C)(C)n1ncc2c(O)nc(NNC(=O)NCCCN3C(=O)CNC3=O)nc21 770394854 FFCVCXVNXDAMPC-UHFFFAOYSA-N 405.419 -0.145 50 20 HBGD CN(C)C(=O)CNC(=S)NNC(=O)CN1c2cccc3cccc(c23)S1(=O)=O 918717460 WVUSIOMKNVMLIA-UHFFFAOYSA-N 421.504 -0.068 50 20 HBGD O=C(NNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1)N[C@H]1CCS(=O)(=O)C1 919885965 OIKLWACXBPKJIF-ONGXEEELSA-N 416.406 -0.165 50 20 HBGD Cc1ccc(CN2C[C@H](C(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)CC2=O)cc1 919886894 XGSVUZCLMHXSOW-CABCVRRESA-N 408.480 -0.139 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCCC(=O)N(C)C)cc1 919923316 FQRHQJKQUUOLKH-UHFFFAOYSA-N 413.500 -0.186 50 20 HBGD CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NNC(=O)CN2CCCC2=O)cc1 920434194 SIPLWKPNYKNCCL-UHFFFAOYSA-N 410.452 -0.673 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)N3CCCC3)C[C@@H]21)[C@H](O)CCl 1784085726 OJQLLVROYDPKNA-JONQDZQNSA-N 415.918 -0.032 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)[C@H]3CCCOC3)C2)C1 1785497336 PGMVYZZDZCZLGV-JXFKEZNVSA-N 402.256 -0.764 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)CCC(N)=O 1795534225 MWVYAZMREMYLTQ-JZHJWMIFSA-N 409.314 -0.595 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)C(C)C)C2 1796439453 GDEIXQCCBJTYNU-WGCSPTNMSA-N 419.482 -0.273 50 20 HBGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H](O)CN1 1799137014 AHUONCPDKQNZFH-XQZGEAEESA-N 404.305 -0.670 50 20 HBGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CNC(=O)C(F)(F)F)C2 1802339683 JBEQRWWBWISXBW-ZSBIGDGJSA-N 421.420 -0.324 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCC2(CCCN(C(=O)CC[C@H](N)C(N)=O)C2)CC1 1809827430 VXZCELVVHYWHDB-HNNXBMFYSA-N 424.546 -0.817 50 20 HBGD NC(=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827060355 GVVCJFUPPUHEON-GOSISDBHSA-N 415.299 -0.135 50 20 HBGD O=C1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C(Cl)Cl)C3)C2)CN1 1829960192 QBUDMGLNXOQVGP-MEDUHNTESA-N 408.282 -0.227 50 20 HBGD O=C(Cc1ccccc1O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830735247 DXHRMPFCMXWEII-QFBILLFUSA-N 412.870 -0.009 50 20 HBGD O=C(CCCn1ccnc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830738079 LLGWHHBVLJKBEE-YJBOKZPZSA-N 414.890 -0.281 50 20 HBGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1)n1ccnc1 1830972705 YFSCJQYZPGXDKD-CPUCHLNUSA-N 400.863 -0.500 50 20 HBGD CCc1oncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1834514423 ZTQXIKGXIZTDSS-DYVFJYSZSA-N 401.847 -0.093 50 20 HBGD CCC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1835632072 CFSLPRBINUNLBD-RDTXWAMCSA-N 415.922 -0.310 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(O)nc3O)C2)C1 1839144458 AIPRRFFLSCRYAY-SJKOYZFVSA-N 414.846 -0.025 50 20 HBGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1839237868 IGZRETJDSLPFKI-IUODEOHRSA-N 416.276 -0.482 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CNC(=O)C1)CCO2 1839870594 OOMWBQWEJOSPIX-RDTXWAMCSA-N 413.547 -0.570 50 20 HBGD C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](Cl)COC)CCO2)C1 1840150796 RXMSBAVYVSZZOJ-VKJFTORMSA-N 402.875 -0.265 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)COc2ccc(O)cc2)C1 1841221288 BBMLPKVPJWAWTH-UHFFFAOYSA-N 410.235 -0.032 50 20 HBGD CC[C@@H](Br)C(=O)N1CC2(CCCN2C(=O)CN(C)C(=O)C(=O)O)C1 1845810530 DMUOOSZDRRMZLN-SNVBAGLBSA-N 404.261 -0.094 50 20 HBGD Cc1ccnc2nc(C(=O)NNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)nn12 24932891 IHGFXONYOBJIDE-UHFFFAOYSA-N 403.424 -0.242 50 20 HBGD COc1ccnc(N2CCN(CC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)CC2)n1 140317744 IERLSACMGCYSQB-UHFFFAOYSA-N 415.410 -0.023 50 20 HBGD CCS(=O)(=O)NCCCNC(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1 728944640 IFIGXVHIAVHEHJ-UHFFFAOYSA-N 418.472 -0.014 50 20 HBGD CCc1sc(C(=O)NNC(=O)COC(=O)Cn2ccc(=O)n(C)c2=O)cc1C 736780041 YBLTUZJVCHDRKE-UHFFFAOYSA-N 408.436 -0.516 50 20 HBGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)c2cccc(CS(N)(=O)=O)c2)c1 744899792 VSBNQPHXHXSYOX-UHFFFAOYSA-N 416.415 -0.035 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3cc(C(N)=O)c[nH]3)cc2)CC1 749531396 SPQCAJFNLQVVQR-UHFFFAOYSA-N 406.468 -0.193 50 20 HBGD Cc1oc(C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)cc1S(N)(=O)=O 755641538 OLRCWQDYIQOZRG-UHFFFAOYSA-N 401.422 -0.286 50 20 HBGD C[C@H]1CC(=NNC(=O)[C@H](CC(=O)NN=C2C[C@@H](C)N(C)C2)N2CCOCC2)CN1C 761811260 DPJILYOREIKBBY-VKJFTORMSA-N 421.546 -0.530 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2cnn(C)c2)cc1 763731680 BNMHWZJPXJGHIM-UHFFFAOYSA-N 408.440 -0.865 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c(Br)n1 764228584 YUQLCXZCTRNNBV-SSDOTTSWSA-N 422.261 -0.824 50 20 HBGD CCN1CCC[C@H]1CN1C[C@H](C(=O)NNc2nc(O)c3cnn(C)c3n2)CC1=O 770971548 KKLAWSWXGWDRNS-NEPJUHHUSA-N 402.459 -0.155 50 20 HBGD COc1ccc(C(=O)NNC(=O)COC(=O)[C@H]2CCCCS2(=O)=O)cc1OC 772407104 NMNJCBNTGBCPJA-CQSZACIVSA-N 414.436 -0.025 50 20 HBGD CS(=O)(=O)NCCC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 912953070 LDJIARMWJCFVKB-UHFFFAOYSA-N 418.497 -0.829 50 20 HBGD CCN1CCN(CC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)C(=O)C1=O 920433203 BJVNTUUKYQMSQI-UHFFFAOYSA-N 400.395 -0.970 50 20 HBGD CN(CC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)c1ccc(Br)o1 1115865630 AHWGHPWQPICSQP-QMMMGPOBSA-N 422.257 -0.304 50 20 HBGD CN(C)C(=O)Cn1cc(C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)nn1 1318229631 MAJJVKQSYYKSSC-UHFFFAOYSA-N 407.456 -0.436 50 20 HBGD CS(=O)(=O)C1(CNC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CCC1 1321042019 DAQBBYMMJNLUKR-UHFFFAOYSA-N 410.500 -0.009 50 20 HBGD COCCNS(=O)(=O)c1cccc(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)c1 1324348653 NPJUHZXZJGEIEI-CQSZACIVSA-N 419.525 -0.283 50 20 HBGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](Cl)COC)CCO2)C1 1778789225 APNCOWKSGFHHGK-HWWQOWPSSA-N 407.851 -0.865 50 20 HBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CNC1=O)C2)C(Cl)Cl 1782214740 MRUPCSSMUDAQKL-QLJPJBMISA-N 421.281 -0.144 50 20 HBGD O=C(CCBr)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CNC(=O)C3)C[C@@H]21 1786407048 CRPSZNATQGKATB-RNJOBUHISA-N 402.289 -0.113 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(F)c[nH]3)C[C@@H]21)c1ccc(B(O)O)cc1 1786983479 LBFAPYGESGOLDT-OWQGQXMQSA-N 415.230 -0.259 50 20 HBGD C[C@@](Cl)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)CN3)C[C@@H]21 1789871643 BXHOUURFFGMKIL-JDRSYFSLSA-N 408.326 -0.075 50 20 HBGD O=C1NC(=O)[C@H](CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H](F)Br)C3)N1 1794210705 WBPGTLWBNHWIKD-IRHRITDKSA-N 405.224 -0.087 50 20 HBGD O=C(CN1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1795428895 ZBDPIUMRPVDNOC-XEMDLRDOSA-N 415.299 -0.945 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1nc[nH]c1[N+](=O)[O-] 1796190982 LODOCZLNZQJGQH-BTTYYORXSA-N 413.199 -0.437 50 20 HBGD COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)cc1 1798941869 GVTHDOSYZYCCJO-XEMDLRDOSA-N 424.262 -0.108 50 20 HBGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)n1cnnn1)C2 1800762390 AJYLCTVLAHOCAI-PZWNZHSQSA-N 401.265 -0.393 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CO[Si](C)(C)C)C2 1801011645 UHPRFHHGDVUSHI-ZSBFGKGUSA-N 414.579 -0.200 50 20 HBGD NC(=O)c1nccnc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](O)CCl)CC2 1821033563 XUSPPGOLMCCHHN-APPZFPTMSA-N 424.870 -0.143 50 20 HBGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)COCCO)[nH]n1 1822415623 MCUOJKANKGHBJY-AWEZNQCLSA-N 410.475 -0.216 50 20 HBGD O=C(CN1CCOC1=O)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1831022694 AJONKIOXGZPTNC-OAHLLOKOSA-N 410.254 -0.301 50 20 HBGD NC[C@H](N)C(=O)NC1CCN(C2CCN(C(=O)CCBr)CC2)CC1 1835065481 HTZSQEWWUWXALA-AWEZNQCLSA-N 404.353 -0.371 50 20 HBGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@@H](NC)C(=O)O)CCO2)C1 1835752925 WTDOHHVTFBPIKO-PMUMKWKESA-N 419.906 -0.087 50 20 HBGD C[C@@H](C(=O)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1)n1cnnn1 1836720061 HSWHARQHPDWTLH-SWLSCSKDSA-N 414.894 -0.168 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837708874 RCASOAZHTUIZDY-BBRMVZONSA-N 408.955 -0.106 50 20 HBGD CN1CC(C(=O)N2CCC(OC3CCN(C(=O)CCC(=O)NN(C)C)CC3)CC2)C1 1838789003 GNJFJUBRNIYTEN-UHFFFAOYSA-N 423.558 -0.080 50 20 HBGD O=C(CCc1ccc(O)nn1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012078 BGWCJJWANKHEGM-UHFFFAOYSA-N 410.239 -0.688 50 20 HBGD C[C@@H](CBr)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)N1CCOCC1 1847498923 RTDOLWPHZXDGMO-PWNZVWSESA-N 404.305 -0.130 50 20 HBGD CN(C)N(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O)[C@@H]1CCS(=O)(=O)C1 741175440 FTJDZSFKLWPSAQ-CYBMUJFWSA-N 418.516 -0.442 50 20 HBGD CC(=NNC(=O)C(=O)NC1CC1)c1ccc(S(=O)(=O)NCCCC(=O)O)cc1 744827978 RQRHCOZIPQRHLT-UHFFFAOYSA-N 410.452 -0.052 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NNC(=O)C(=O)N2CCCC2)s1 748240078 AAQUCQOQYDRFKX-LBPRGKRZSA-N 414.509 -0.021 50 20 HBGD CSc1nnnn1-c1cccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 755735684 ZAGWVTYORKMMQS-MRVPVSSYSA-N 414.473 -0.525 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2snnc2C(C)(C)C)n(C)c1=O 757670367 HEZOYFYPEIGISS-UHFFFAOYSA-N 420.455 -0.956 50 20 HBGD CS(=O)(=O)CCn1cccc(NC(=O)NNC(=O)COc2ccccc2O)c1=O 760785101 KVKXMZQIZWJVBB-UHFFFAOYSA-N 424.435 -0.170 50 20 HBGD Cn1nnnc1CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 772585457 PXZAERIIGJJQMK-UHFFFAOYSA-N 422.471 -0.819 50 20 HBGD COC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)COc1ccc(OC)cc1 815565610 UWTLIUZYDOTJAA-UHFFFAOYSA-N 405.367 -0.620 50 20 HBGD O=C(NCCNC(=O)C1CC1)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 915906520 ROPHZXFYJYLOHU-UHFFFAOYSA-N 423.495 -0.059 50 20 HBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCc1nnnn1CC1CC1 1116656473 IFDQAIIEYWZMAQ-UHFFFAOYSA-N 421.487 -0.171 50 20 HBGD CN[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)CO[Si](C)(C)C)C2)C1)C(=O)O 1779296514 UIOLBFMODUAGAD-CXAGYDPISA-N 401.536 -0.270 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1783935208 OXZCEBCTHAIRPG-BCVDLATCSA-N 419.482 -0.099 50 20 HBGD COc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)n(C)n1 1784085988 AZAPEWJMCFSBGV-IMIFBBOLSA-N 400.863 -0.378 50 20 HBGD CNC(=S)NCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](Cl)COC)[C@H]2C1 1791255064 CPLYPPMROPTUMT-FQUUOJAGSA-N 420.963 -0.296 50 20 HBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798012347 UPBUTLZRPNKGSK-WYFGTUCQSA-N 401.807 -0.225 50 20 HBGD C[C@@H](NC=O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817472376 GGLXXKAEJHUCBG-MLGOLLRUSA-N 413.243 -0.470 50 20 HBGD O=C(Cc1ccc(F)cn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830723570 PXXXJQBOOYDHMU-MAUKXSAKSA-N 415.849 -0.181 50 20 HBGD CN1CCC[C@H](C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)C1 1830733408 LIPJIAZMNWOATK-MPGHIAIKSA-N 403.907 -0.616 50 20 HBGD CC(=O)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)n[nH]1 1833820535 FRRNFKFCENVHSP-YOEHRIQHSA-N 414.846 -0.718 50 20 HBGD CC(C)CNC(=O)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1835126644 ATSDSIKVVIXDQR-INIZCTEOSA-N 416.950 -0.070 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccn(C)n3)CCO2)C1 1836065212 SXRMCQOUGJDCPD-MAUKXSAKSA-N 414.890 -0.327 50 20 HBGD C[C@@H](NC=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1839160250 QMLUKXPJKXBNDX-DOMZBBRYSA-N 406.277 -0.638 50 20 HBGD CN1C(=O)CC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1839216336 OPQOXUSNBGRTGH-MEDUHNTESA-N 408.282 -0.133 50 20 HBGD CN1CCN(C(=O)CCNC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CC1 729047107 MTKBHDRQNBLFEU-UHFFFAOYSA-N 418.502 -0.813 50 20 HBGD O=C(CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2)NNC(=O)c1cnn[nH]1 729456028 NGXPBAAFPFUIBX-UHFFFAOYSA-N 424.439 -0.514 50 20 HBGD C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NNC(=O)C(C)(C)C)CC2)C[C@H](C)O1 731499573 VECJGLVFANHXRG-STQMWFEESA-N 405.521 -0.255 50 20 HBGD CN1C(=O)C(=O)N(CC(=O)NNC(=O)c2ccc(F)cc2Br)C1=O 733135654 GBDMVVJQPKTSEG-UHFFFAOYSA-N 401.148 -0.230 50 20 HBGD CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2c[nH]nc2C)cc1 746234752 HUIZZYVHVLNMQL-UHFFFAOYSA-N 409.424 -0.366 50 20 HBGD C#CCNC(=S)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 758173184 SHNNKHUMXNVIIM-UHFFFAOYSA-N 410.521 -0.231 50 20 HBGD CCCCS(=O)(=O)NCC(=O)NNC(=O)c1sc(N2CCOCC2)nc1C 761135585 KSGYSXSBCIQNKF-UHFFFAOYSA-N 419.529 -0.231 50 20 HBGD Cc1cc(OC(C)C)ccc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764226090 FQPBWKZJAVYLHV-LLVKDONJSA-N 400.457 -0.194 50 20 HBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNS(=O)(=O)C[C@@H]1CCCO1 765119196 SYIMFDZCXLSVIL-INIZCTEOSA-N 410.496 -0.426 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc(Cl)c(Cl)[nH]2)n(C)c1=O 766636974 QEXWHAMPVNYGAN-UHFFFAOYSA-N 414.209 -0.470 50 20 HBGD CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)NNC(=O)CNC(=O)c1cccs1 787856882 DANDHCVDXHLLPI-NXEZZACHSA-N 413.456 -0.735 50 20 HBGD CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NNC(=O)Cc1cn2ccccc2n1 787881771 MYKSTCKMXWLEKK-RYUDHWBXSA-N 404.427 -0.337 50 20 HBGD CN(C)N(C(=O)CCNS(=O)(=O)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 792850797 QRFALHSWUIMYQQ-CYBMUJFWSA-N 407.489 -0.014 50 20 HBGD CS(=O)(=O)N1CCCC[C@H]1CNC(=O)NNC(=O)CNC(=O)c1ccco1 805043410 KFMGQYQINVGWPD-NSHDSACASA-N 401.445 -0.846 50 20 HBGD CNC(=O)CN1CCC(NC(=O)NNC(=O)Cc2nc3ccccc3n2C)CC1 916518797 MIKOLOWFDXFOGM-UHFFFAOYSA-N 401.471 -0.343 50 20 HBGD CC(C)[C@@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779029413 RZLDYHITKQFRKP-DNVCBOLYSA-N 405.455 -0.855 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3cnsn3)CCO2)C1 1779029609 ZMHBMDPCQAMBQM-QGZVFWFLSA-N 417.451 -0.706 50 20 HBGD COC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781331090 DCOOQXORSKEMDB-SLEUVZQESA-N 424.267 -0.342 50 20 HBGD C[C@H](Br)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)N1CCOCC1)CCO2 1783533845 KRFJORLBWUZUNM-NOLJZWGESA-N 420.304 -0.750 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1783934760 LUZAPRKPQUTJDC-QGZVFWFLSA-N 423.430 -0.866 50 20 HBGD Cc1nccn1CC(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783937482 SHAGGVVUBHZXIY-IBGZPJMESA-N 406.487 -0.606 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccccc3O)C[C@@H]21)c1cccc(B(O)O)c1 1786984577 PPKXSQFINLOCMB-QSFXBCCZSA-N 424.262 -0.021 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(CO)on3)C[C@@H]21 1791290807 NMYHJWIVWFNGNM-NOLJZWGESA-N 423.470 -0.867 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C[C@@H]21 1791293088 INHQYQYMHHIQNW-IZPLOLCNSA-N 422.526 -0.093 50 20 HBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)Cc1cscn1 1796307171 LNZGVSONVMTXIG-QFCKPIOYSA-N 416.931 -0.144 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)c1ccc2nc(CO)[nH]c2c1 1796868867 IGRMUPHWAONAJX-RBNVPPIJSA-N 422.869 -0.142 50 20 HBGD NC(=O)c1nccnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(Cl)Cl)C2 1798357636 IKJGHOZDMMUNBB-AYMMMOKOSA-N 402.238 -0.418 50 20 HBGD O=C(Cn1cccc([N+](=O)[O-])c1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Cl)C2 1800282773 UHVBJRNDTQSVOO-DJBIQUGXSA-N 416.793 -0.120 50 20 HBGD CCOC(=O)N[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)Br 1800758992 BYTYISQSOPMRJT-HMUNZLOLSA-N 422.276 -0.576 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CC[C@H](CNC(=O)[C@H]2C[C@@H](O)C2)[C@@H]1c1cccnc1 1809506130 SFBLVOOCHYWMRY-JYBIWHBTSA-N 423.278 -0.148 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825674746 OGZKVKANDCDMAM-JTQLQIEISA-N 407.452 -0.484 50 20 HBGD CC(C)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCNC3=N)C2)C1 1830358956 IMYHXVVRFDEQAD-SFHVURJKSA-N 415.922 -0.452 50 20 HBGD CC(C)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC[C@H](N)C(N)=O)C2)C1 1830359367 OHYSEGRXGSTPKX-SCLBCKFNSA-N 418.922 -0.699 50 20 HBGD Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c(O)n1 1830730899 FRCLKWYFZOONKF-KBXCAEBGSA-N 413.858 -0.235 50 20 HBGD CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830732914 CJJYPQJNPJLTJS-CPUCHLNUSA-N 405.879 -0.157 50 20 HBGD NC(=O)c1ncccc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1833309669 MJOPKUUGKFZYGU-CXAGYDPISA-N 414.821 -0.215 50 20 HBGD N=C1NCCN1CC(=O)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1835639710 AUAXFSUDLMPSQT-OAHLLOKOSA-N 408.286 -0.914 50 20 HBGD O=C(c1nc2ccccn2n1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1836392418 MVJYIPLHISEBNL-FZKQIMNGSA-N 423.857 -0.601 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)OC)C2)C1 1840151638 JKTPMAJKBCTSJW-DYVFJYSZSA-N 406.863 -0.350 50 20 HBGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1)n1cnnn1 1840480559 WQAZFWALTBEUMZ-YGRLFVJLSA-N 407.258 -0.506 50 20 HBGD COCCn1nccc1C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013724 FIOQMKPWJZVKCS-UHFFFAOYSA-N 412.255 -0.660 50 20 HBGD O=C(c1[nH]nc2ccncc12)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013762 JWXGISWKGGEJOG-UHFFFAOYSA-N 405.223 -0.232 50 20 HBGD O=C(c1cnn2c1OCCC2)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014697 QBTPFMBYDUCUKN-UHFFFAOYSA-N 410.239 -0.524 50 20 HBGD COCc1oncc1C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1843566870 BYONJHYLPCQYKB-UHFFFAOYSA-N 414.422 -0.050 50 20 HBGD C[C@@H](C(=O)N1CC2(CCCN2C(=O)CCC(=O)NN(C)C)C1)[C@@H]1SC(=N)NC1=O 1846384823 NMBPVDZVXSKOPS-RISCZKNCSA-N 424.527 -0.635 50 20 HBGD O=C(CCOc1ccccc1)NNC(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 144718113 SBALDSPBDKLEBC-ZDUSSCGKSA-N 412.468 -0.521 50 20 HBGD COc1cccc(NCC(=O)NNC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)c1 728207990 HXNYSAONHYBCCK-UHFFFAOYSA-N 424.483 -0.335 50 20 HBGD CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)c1cnn[nH]1 729455949 IERWFYCCSKLOIB-SNVBAGLBSA-N 416.460 -0.195 50 20 HBGD CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NNC(=O)c1cnn[nH]1 729456605 VOEAHCNCNZXHAE-NSHDSACASA-N 405.440 -0.137 50 20 HBGD COCCOCCC(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 735117312 QJZRTIPWFPXUCW-UHFFFAOYSA-N 401.489 -0.486 50 20 HBGD O=C(NNC(=O)[C@H](c1cccc(F)c1)N1CCOCC1)N[C@H]1CCS(=O)(=O)C1 742055387 MSVPOQWUQJORMA-GJZGRUSLSA-N 414.459 -0.284 50 20 HBGD O=C(CCN1CCN(c2ccccn2)CC1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 746163584 POEQQEPGGLJSEJ-AWEZNQCLSA-N 410.500 -0.889 50 20 HBGD COc1cccc(C[C@@H](C(=O)NNC(=O)C(=O)N2CCCC2)n2nnnc2C)c1 748239618 JQFDUHYWPBNQHC-HNNXBMFYSA-N 401.427 -0.456 50 20 HBGD NC(=O)c1cnn2c(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)ccnc12 757989101 ZCSXAJHYPWPQPB-UHFFFAOYSA-N 416.423 -0.804 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccnn1C1CCCCC1 764226856 KSJJYIWQOQWCGP-SNVBAGLBSA-N 400.461 -0.588 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccnc1-c1ccccc1 764228031 TZOCPGXSSMXCCX-LLVKDONJSA-N 405.436 -0.228 50 20 HBGD O=C(CO)NNC(=O)C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1C(F)(F)F 764421687 QLKCGRCPQXBEKB-LLVKDONJSA-N 418.328 -0.099 50 20 HBGD N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)n1 764423635 CYGPVDDWRMCWMD-ZDUSSCGKSA-N 418.797 -0.101 50 20 HBGD CC(=O)c1csc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 766646302 ZDYSVGMRRZRZDG-UHFFFAOYSA-N 404.408 -0.841 50 20 HBGD CCOc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c2ncccc12 768238837 GBZCANRZXCUTBK-JTQLQIEISA-N 423.451 -0.343 50 20 HBGD CN(C)S(=O)(=O)c1ccc(O)c(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)c1 768392026 QOPGZVHEFJHYMS-UHFFFAOYSA-N 416.456 -0.072 50 20 HBGD COc1ccc(C(=O)NNC(=O)COC(=O)[C@@H]2CCCN(C(N)=O)C2)cc1OC 792266593 KCZKDFKBGMDWMP-GFCCVEGCSA-N 408.411 -0.201 50 20 HBGD Cc1ccc(S(=O)(=O)NNC(=O)[C@H]2CCc3nncn3C2)c(C)c1OCC(=O)O 793450903 PIDSGUOZRONJCD-LBPRGKRZSA-N 423.451 -0.070 50 20 HBGD CN(C[C@@H]1CCCN(CC(=O)NNC(=O)c2ccc(C#N)cc2)C1)S(C)(=O)=O 796125203 HNEJLUJQGDZWMT-HNNXBMFYSA-N 407.496 -0.077 50 20 HBGD COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)NNC(=O)[C@@H]1COCCO1 806736297 JCEOSRYBZSTWEI-AWEZNQCLSA-N 417.440 -0.317 50 20 HBGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)[C@H](C)NC(=O)OC(C)(C)C 811637418 XAFUGXGHTSNUES-VIFPVBQESA-N 414.488 -0.024 50 20 HBGD CN(CC(=O)NNC(=O)c1ccc(CSc2nncn2C)cc1)S(C)(=O)=O 914747813 NSDGCRGPKQNASN-UHFFFAOYSA-N 412.497 -0.240 50 20 HBGD COC(=O)c1c(C)oc(C)c1S(=O)(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919960721 CWOWFUXXRFUZJR-SECBINFHSA-N 409.442 -0.637 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)C1 1781097359 BACBYEIRXXJSRK-JTDSTZFVSA-N 416.950 -0.294 50 20 HBGD CN1CCN(C2(C(=O)N3CC[C@@]4(CN(C(=O)[C@H](O)CCl)CCO4)C3)CC2)CC1 1781106360 QAINKRXQCGBTMC-CRAIPNDOSA-N 414.934 -0.804 50 20 HBGD CN(CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1)C(=O)C(=O)O 1781332974 GQUPJBVRJOKNOG-HZMBPMFUSA-N 424.223 -0.950 50 20 HBGD O=C(Cn1ccncc1=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2 1781480624 ADTZXXVJPOLKFP-PMUMKWKESA-N 412.874 -0.643 50 20 HBGD C[C@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(N)=O)C2 1782001142 AOTKZSSUZYXIAG-FIXISWKDSA-N 405.293 -0.048 50 20 HBGD O=C(CCN1C(=O)C=CC1=O)N1CCO[C@]2(CCN(C(=O)C(Cl)Cl)C2)C1 1783942175 KMBNFNHWEWIUJS-MRXNPFEDSA-N 404.250 -0.065 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCOC3)C2)C1 1784719778 KMVRBSXBILLFDM-GFYXTMNVSA-N 417.466 -0.013 50 20 HBGD CC(=O)Nc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)n1 1794277368 HOKLCUCWVDVWFA-LMWOUKEDSA-N 410.858 -0.157 50 20 HBGD CN(CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN)C2)NC(=O)NCc1ccccc1 1799864728 LQWIXNBZNWWWHH-BJWYYQGGSA-N 402.499 -0.071 50 20 HBGD O=C(c1cn2cccnc2n1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1836883654 RTHXYHBFZPJFBI-RDTXWAMCSA-N 423.857 -0.601 50 20 HBGD CCNC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1837383051 TVJXNTKBJZZBQW-WQGACYEGSA-N 408.858 -0.315 50 20 HBGD O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1840041445 MWVUCRPXUIARHS-HNNXBMFYSA-N 403.229 -0.684 50 20 HBGD COc1nn(C)cc1C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1842348439 HJGYTTZXEVPKBL-UHFFFAOYSA-N 413.438 -0.442 50 20 HBGD COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)CNC(=O)c2ccco2)cc1 725739387 DVXNTYNEJBLKGG-NSHDSACASA-N 424.435 -0.468 50 20 HBGD C[C@@H]1CN(CCNC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CCO1 726254895 INJFEVFGMHMRIE-CYBMUJFWSA-N 413.500 -0.398 50 20 HBGD Cc1cc(C(=O)N2CCC[C@H]2C(=O)NNC(=O)C(=O)NC2CC2)ccc1[N+](=O)[O-] 726523983 KDJTWSLDKPEYBB-AWEZNQCLSA-N 403.395 -0.066 50 20 HBGD Cc1nc(S(=O)(=O)NCCC(=O)NNC(=O)COc2ccc(C#N)cc2)cn1C 726765572 RKXZGYKVZAZZOC-UHFFFAOYSA-N 420.451 -0.505 50 20 HBGD Cc1ccc(NCC(=O)NNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1 728203191 OGWRVJYMTPLSDH-HIFRSBDPSA-N 408.480 -0.410 50 20 HBGD N#Cc1cccc(C(=O)NNS(=O)(=O)c2ccc(C(=O)NCC(=O)O)cc2)c1 728853390 IVMIRKJBKWKNCH-UHFFFAOYSA-N 402.388 -0.004 50 20 HBGD C#CCNC(=O)C1CCN(CC(=O)NNC(=O)c2ccc(OC)c(OC)c2)CC1 747820204 NRGRFWOXIBZPEZ-UHFFFAOYSA-N 402.451 -0.074 50 20 HBGD CCCS(=O)(=O)Nc1cccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 756684546 KKXJJXVHRFLJQT-JTQLQIEISA-N 421.501 -0.071 50 20 HBGD CC(=O)N[C@H](CC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1ccc(F)cc1F 758038380 DILCCQIJNADGNI-AMIZOPFISA-N 406.411 -0.383 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H](CC(F)F)NC(=O)OC(C)(C)C 758040390 PCQGRTDSUVBMPD-JGVFFNPUSA-N 402.420 -0.380 50 20 HBGD Cc1nc(CC(C)C)c(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)s1 764232149 RTOFNQDSLXBVJQ-MRVPVSSYSA-N 405.502 -0.326 50 20 HBGD CCN(C)C(=O)CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 776257438 FIFHUNXYBRDAHY-UHFFFAOYSA-N 411.484 -0.107 50 20 HBGD N#Cc1cncc(S(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)c1 810062844 IJGBDSASFQVGEU-UHFFFAOYSA-N 409.287 -0.058 50 20 HBGD Cc1cc(C(=O)NCC(=O)NNC(=O)[C@H]2CCc3nncn3C2)ccc1[N+](=O)[O-] 816881183 ALFFSUZZAHVNHL-LBPRGKRZSA-N 401.383 -0.365 50 20 HBGD COc1cccc(C[C@@H](C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)n2nnnc2C)c1 915685537 BQSHSEPSHNAIRV-HIFRSBDPSA-N 422.467 -0.644 50 20 HBGD O=C(NNC(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1)N[C@@H]1CCS(=O)(=O)C1 1318701352 JAZHORHROONCIB-UONOGXRCSA-N 409.468 -0.549 50 20 HBGD O=C(NNC(=O)C1(S(=O)(=O)c2ccccc2)CC1)N[C@@H]1CCS(=O)(=O)C1 1322599370 DTFPDADSLWILEB-LLVKDONJSA-N 401.466 -0.490 50 20 HBGD Cc1csc(CC(=O)NNC(=O)CN(C)C2CCN(S(C)(=O)=O)CC2)n1 1340898658 VCBNREWQXQGAEX-UHFFFAOYSA-N 403.530 -0.503 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1cnccn1)CCO2 1783933330 IBDIMAZVARVYPE-IBGZPJMESA-N 404.471 -0.778 50 20 HBGD O=C(C[C@H]1NC(=O)NC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(Cl)Cl)C[C@@H]21 1785154765 PRZAGQPXIJRWRS-QEYWKRMJSA-N 407.254 -0.632 50 20 HBGD Cc1ncc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)cn1 1786984479 KSWJHTBYVTZONM-SNRMKQJTSA-N 424.266 -0.628 50 20 HBGD Cc1nn[nH]c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791289351 VKUDPQIJBYWLEQ-IHRRRGAJSA-N 407.475 -0.921 50 20 HBGD Cn1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)c1=O 1793785253 NDDDLTDAOMMMSK-BJWYYQGGSA-N 409.251 -0.369 50 20 HBGD N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)cc1 1795735223 QMBAWYYXIBCGEM-OPVJXMOQSA-N 419.246 -0.245 50 20 HBGD CC(=O)C[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1800936822 YINPWGBKNIHSRX-PTOXDTDZSA-N 402.256 -0.815 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@H]3C=CS[C@@H]31)C2 1801013063 TVRHMJCVPWKYQN-JKIKJZRASA-N 408.524 -0.176 50 20 HBGD C[C@@H](NC=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1822887786 AJEGBOMKLORHSP-ZWNOBZJWSA-N 416.268 -0.817 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@H]2CCCCN2C(=O)COCCO)CC1 1830369838 XRFKPDBCMKDILN-LJQANCHMSA-N 418.299 -0.391 50 20 HBGD C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](Cl)COC)C2)C1 1831401439 BVMKECLXFUFYGO-RVKKMQEKSA-N 402.875 -0.265 50 20 HBGD COCCOCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Br)CCO2 1840031697 ACTYPXLFBPESNI-BBRMVZONSA-N 423.304 -0.111 50 20 HBGD Cn1c(CC(=O)NNC(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)nc2ccccc21 10123613 XJYSAQJZDBUZQB-UHFFFAOYSA-N 406.402 -0.033 50 20 HBGD C#Cc1cccc(NC(=S)NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)c1 726448116 BANCDQZMIZZGHG-UHFFFAOYSA-N 404.477 -0.430 50 20 HBGD O=C(COC(=O)Cc1nc2ncccn2n1)NNC(=O)[C@H]1COc2ccccc2O1 728328887 YNQXVWJYPIQCQZ-CYBMUJFWSA-N 412.362 -0.803 50 20 HBGD O=C(CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NNC(=O)[C@@H]1COc2ccccc2O1 742469897 KRCFOOXHFBVPBM-BDLOOMQFSA-N 415.402 -0.474 50 20 HBGD CN(C)CCNC(=O)C1CCN(CC(=O)NNC(=O)c2cccc(C#N)c2)CC1 744392593 UZRPOKQZKTWCQW-UHFFFAOYSA-N 400.483 -0.291 50 20 HBGD Cc1ccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(F)c1 755392295 ISSLZDDLHTWVHH-UHFFFAOYSA-N 403.374 -0.266 50 20 HBGD CCOCC(=O)NNC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 755412274 DHRZCXQVCDLEQI-UHFFFAOYSA-N 416.456 -0.095 50 20 HBGD COCCc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)n(C)n1 763571266 LMURNGNZYSZYPZ-AWEZNQCLSA-N 403.395 -0.465 50 20 HBGD COc1ccc(C(=O)NNC(=O)NCCN2CCNC(=O)C2)cc1Br 781400497 KLBZJQPEOBZQMA-UHFFFAOYSA-N 414.260 -0.167 50 20 HBGD CC(=O)N1CCN(c2cccc(NC(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)c2)CC1 782084103 VOGYRHFMYNBIFC-CQSZACIVSA-N 423.495 -0.058 50 20 HBGD CC[C@@]1(C)Oc2ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc2O1 785991114 PKSDQJCUIZCCJT-FVMDXXJSSA-N 414.440 -0.392 50 20 HBGD Cn1c(=O)c2ccc(C(=O)NNc3ccccc3S(N)(=O)=O)nc2n(C)c1=O 788227755 HQCSKIVIVIDOHD-UHFFFAOYSA-N 404.408 -0.964 50 20 HBGD Cc1c(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)nnn1Cc1ccc(F)cc1F 792317641 XARYTULIAAFSRD-MRVPVSSYSA-N 416.410 -0.388 50 20 HBGD CN(CCNC(=O)NNC(=O)C(=O)NC1CC1)S(=O)(=O)c1ccc(F)cc1 798118442 YFHCLBQLFJRSEH-UHFFFAOYSA-N 401.420 -0.945 50 20 HBGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)nn1-c1ccc(F)cc1F 808935249 ODGBCADMPIIPGK-ZDUSSCGKSA-N 409.349 -0.040 50 20 HBGD CC[C@H](NC(N)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2 1777976745 CEQRPIHPFWFGSE-APNQJHFZSA-N 404.895 -0.453 50 20 HBGD CC(C)(C)[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1784022495 JOHFOLYHIQDPHK-LEUOFYLZSA-N 418.299 -0.633 50 20 HBGD Cc1ncoc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786979477 NFYBOAHXQKPRPP-XIRDDKMYSA-N 413.239 -0.430 50 20 HBGD CCc1ncccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1794377234 XQLILRWLMZWXIJ-CWPLJXCYSA-N 423.278 -0.159 50 20 HBGD Cn1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)c1=O 1796189839 HFEHJBMZAIIJRC-BJWYYQGGSA-N 409.251 -0.369 50 20 HBGD O=C(CSc1nc[nH]n1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796192087 HNKRKJAEBWFYSC-QDMKHBRRSA-N 415.284 -0.471 50 20 HBGD Cn1nncc1C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809968979 JSOFSQLOODCJJA-UHFFFAOYSA-N 411.271 -0.347 50 20 HBGD CN(C)C(=O)C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815339941 WDCIKNHVRHRKEE-GFCCVEGCSA-N 416.268 -0.863 50 20 HBGD CC(=O)NCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815359730 BMPOQAKSGLFWAB-CYBMUJFWSA-N 416.268 -0.815 50 20 HBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)Cn2nccn2)[nH]n1)c1cccc(B(O)O)c1 1817477380 WVWJRLXKXGJZNJ-MRXNPFEDSA-N 423.242 -0.313 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1)CCO2 1835123948 XYJQUGNTKVMUST-KBXCAEBGSA-N 413.547 -0.427 50 20 HBGD O=C(c1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835938160 NNMGMHYQROIIQP-QFIPXVFZSA-N 424.262 -0.250 50 20 HBGD C/C=C/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839834361 YHBFZCJPXAYDND-AXVWPGNMSA-N 414.267 -0.431 50 20 HBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 15639646 MCLXVVIANKPPHV-NWDGAFQWSA-N 423.447 -0.607 50 20 HBGD CS(=O)(=O)N1CCN(CCNC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1 749354877 XXCWWILVGDDADX-UHFFFAOYSA-N 414.444 -0.884 50 20 HBGD O=C(CCc1ccccc1)NNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 749804291 URQWTBJNPJDBFL-CQSZACIVSA-N 406.464 -0.068 50 20 HBGD CNS(=O)(=O)c1ccc(CCC(=O)NNC(=O)CNC(=O)c2ccco2)cc1 751204553 JARHXXISTMXBBF-UHFFFAOYSA-N 408.436 -0.302 50 20 HBGD CCCCCn1nc(C(=O)NNC(=O)CS(=O)(=O)NC)c2ccccc2c1=O 751565559 HZWSFUZEWDVUMG-UHFFFAOYSA-N 409.468 -0.103 50 20 HBGD CCOC(=O)c1ccc(N2CC(NC(=O)NN[C@@]3(C)CCS(=O)(=O)C3)C2)nc1 753279340 JZLZJKBPIKCVJJ-KRWDZBQOSA-N 411.484 -0.172 50 20 HBGD CCc1c(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cnn1CCC(C)C 756155214 MQSPZZDQQXRIQN-NSHDSACASA-N 416.504 -0.485 50 20 HBGD CCOC(=O)c1cc(NC(=O)NNC(=O)[C@@H]2COCCO2)cc(S(C)(=O)=O)c1 757608785 HBWQMBNGHCYEMZ-ZDUSSCGKSA-N 415.424 -0.165 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)Nc2ccc(C(N)=O)nc2)c1 757699470 GECSFKSPBABTKA-UHFFFAOYSA-N 406.424 -0.103 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 758030203 PDTYHSMLWMCAQN-QWRGUYRKSA-N 408.477 -0.903 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Cc1csc(NC(=O)C(C)(C)C)n1 758031119 UTSQDDIOEPZEBU-QMMMGPOBSA-N 405.502 -0.245 50 20 HBGD CCn1cc(C(=O)C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cn1 758857662 GGEVJFRKNPIKOW-CQSZACIVSA-N 402.363 -0.384 50 20 HBGD COc1ccc(-c2cc(C(=O)NNC(=O)CN3C(=O)CN(C)C3=O)n[nH]2)cc1OC 763146034 AKRWKWUQNCRFLG-UHFFFAOYSA-N 416.394 -0.251 50 20 HBGD CON(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CNC(=O)c2cccnc2)c1 763824922 SBJIYDSHZJQISI-UHFFFAOYSA-N 421.435 -0.546 50 20 HBGD CCOc1ccc(OC)cc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 764234585 YMLJITYFUDIKTC-VIFPVBQESA-N 402.429 -0.883 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)/C=C\c2cccc(F)c2)n(C)c1=O 765732447 URGFMNHSLKMAMT-SREVYHEPSA-N 400.370 -0.566 50 20 HBGD CN1CCO[C@@H](C(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)C1 766660501 MTYXPMJQKPAYQJ-QGZVFWFLSA-N 409.918 -0.064 50 20 HBGD O=C(NNS(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1)N1CCOCC1 780383579 KFVZYIOADHJUJI-UHFFFAOYSA-N 404.470 -0.638 50 20 HBGD C[C@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)[C@@H](C)S(C)(=O)=O 788262710 XWUWRTDCKDGHKL-WDEREUQCSA-N 405.498 -0.233 50 20 HBGD C[C@@H]1CN(C[C@@H](C)C(=O)NN=Cc2c(N(C)C)n(C)c(=O)n(C)c2=O)C[C@@H](C)O1 807956703 BEJKDETVUBBCLG-MGPQQGTHSA-N 408.503 -0.655 50 20 HBGD O=C(Cc1c[nH]c2ccccc12)NNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 912953253 ZBPPNINELYDOSM-ZIAGYGMSSA-N 418.475 -0.107 50 20 HBGD CS(=O)(=O)NC[C@@H]1CCCN(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1 918779231 IFKRAQDPLLXPHQ-LBPRGKRZSA-N 422.471 -0.722 50 20 HBGD CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1115975820 SCFJEZKSXILRDO-BLLLJJGKSA-N 406.464 -0.203 50 20 HBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)COCC(=O)OC)c1 1333673747 ZNEVAHNRVINNGW-UHFFFAOYSA-N 401.441 -0.332 50 20 HBGD CC[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](N)CCC(N)=O)CCO2)C1 1783342378 KWTOWLQVHBRJGA-BFQNTYOBSA-N 419.320 -0.417 50 20 HBGD C[C@@H]1CC[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)O1 1786983425 RXFDFYJELAPVIK-VXKGYBDPSA-N 416.283 -0.473 50 20 HBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn[nH]c3)C[C@@H]21 1788610077 BNPICYHJWQDUOO-UVBJJODRSA-N 413.438 -0.685 50 20 HBGD CCOC(=O)N[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(Cl)Cl)[C@H]2C1 1791298085 ACMCZOYIMJDEQK-YVNDNENWSA-N 412.270 -0.166 50 20 HBGD Cc1cc(C)nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c1 1795983978 TWDDVFDJGNZURE-XEMDLRDOSA-N 423.278 -0.105 50 20 HBGD CC[C@H](NC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Br 1799347608 RCKSXHVZQYIRRX-HPENLJRUSA-N 409.256 -0.287 50 20 HBGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@](C)(O)CC(=O)O)C2 1800980494 BEMDJIZFYSXZAB-MUTWKMIISA-N 406.863 -0.554 50 20 HBGD CN(CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](O)CCl)[nH]n1)C(=O)C(=O)O 1821712788 GRXQMSNDJKREOU-WDEREUQCSA-N 415.834 -0.456 50 20 HBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1CNC(=O)O1)CC2 1826083865 UEEVILBJZROQTI-ONGXEEELSA-N 424.483 -0.464 50 20 HBGD C[C@@H]1C[C@]1(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835931086 FULQHURMCYVSSD-GQWLDOHISA-N 416.283 -0.518 50 20 HBGD O=C([C@H](F)Cl)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2 1839782353 VKLSSWXYIYVNLL-XUJVJEKNSA-N 412.867 -0.446 50 20 HBGD CCCC(=O)N[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011594 UIERMFFFSOXFTG-AWEZNQCLSA-N 401.272 -0.512 50 20 HBGD C[C@](O)(CC(=O)O)CC(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844265226 HMFDWRNZIWOKEC-GOSISDBHSA-N 419.438 -0.882 50 20 HBGD NC(=O)[C@@H]1CCCN(CCCNC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)C1 729506160 NULJQZWTKULKEZ-CJNGLKHVSA-N 405.455 -0.256 50 20 HBGD O=C(NNC(=O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O)C(=O)N1CCCC1 730539536 HEPFSOXSFKTURE-CYBMUJFWSA-N 402.407 -0.420 50 20 HBGD COc1ccc(NC(=S)NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)cc1 730595371 AJYFAVVQGQIATL-UHFFFAOYSA-N 410.481 -0.403 50 20 HBGD COc1ccccc1OCC(=O)NNC(=O)[C@H](C)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 746094612 NLOPTMKLNZQILR-SAHSTKMBSA-N 417.418 -0.228 50 20 HBGD NC(=O)CNS(=O)(=O)c1ccc(C(=O)NNC(=O)CCOc2ccccc2)o1 746185770 RNICHEQIEBLQRS-UHFFFAOYSA-N 410.408 -0.727 50 20 HBGD Cc1cc(=O)c(C(=O)NNC(=O)CN2CCCC2=O)nn1-c1ccccc1[N+](=O)[O-] 751619328 XGUQPMFCCLTLNE-UHFFFAOYSA-N 414.378 -0.167 50 20 HBGD CCNS(=O)(=O)c1ccc(CC(=O)NNC(=O)CNC(=O)c2ccco2)cc1 759380937 WVECCGOTEUSDBM-UHFFFAOYSA-N 408.436 -0.302 50 20 HBGD Cc1csc(CC(=O)NNC(=O)COC(=O)COc2ccccc2C(N)=O)n1 762409604 XLJIPASYOSDHMT-UHFFFAOYSA-N 406.420 -0.137 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(Br)c1 764230724 KKQGONPRWUHWQT-SSDOTTSWSA-N 407.246 -0.527 50 20 HBGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1cccc(Cl)c1N1CCOCC1 764435522 WFVHMQSBADQWFF-ZDUSSCGKSA-N 412.830 -0.322 50 20 HBGD CCN(CC)c1ncc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)s1 764813319 YTVYORMDNRLOHC-UHFFFAOYSA-N 418.483 -0.113 50 20 HBGD CCc1ccccc1[C@@H]1C[C@H]1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 801927714 ZEJQZYDJVMGSSA-LSDHHAIUSA-N 424.461 -0.053 50 20 HBGD COCc1nc(Cl)cc(NNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)n1 807236053 XIPJWVABOQZAIS-UHFFFAOYSA-N 422.833 -0.443 50 20 HBGD CCOC(C)(OCC)C(=O)NNC(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C 807369840 MEWXHHSWVCUIEU-UHFFFAOYSA-N 407.427 -0.509 50 20 HBGD O=C(COC(=O)c1cnc2[nH]c(O)nc2c1)NNC(=O)[C@@H]1COc2ccccc2O1 808637610 FJEFZMBYVJSQNJ-ZDUSSCGKSA-N 413.346 -0.192 50 20 HBGD N#Cc1cccc(S(=O)(=O)NCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 913416632 MFJXHONBBUPESV-MRXNPFEDSA-N 416.415 -0.176 50 20 HBGD COC[C@H](NC(C)=O)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1779317809 KAVBPORDEZIWSM-PVXIVEMSSA-N 420.304 -0.249 50 20 HBGD CC(C)=NO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1781400348 KTWRSHIRCSJZNU-YWZLYKJASA-N 417.271 -0.389 50 20 HBGD CS(=O)(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2 1782713252 LIVUKFYNFRLMKI-XJKCOSOUSA-N 410.920 -0.465 50 20 HBGD N[C@@H](Cc1cscn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784090829 NZFXXSMGMGUAIW-PSWFKFNGSA-N 416.931 -0.408 50 20 HBGD COC(=O)C12CC(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]4C3)(C1)C2 1784094508 OSGKJYFYSSJDCJ-MQGLGVLZSA-N 414.886 -0.091 50 20 HBGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(C)C(=O)CC3)C[C@@H]21 1791252931 YUEJRVWVGOOGSZ-ABHRYQDASA-N 414.890 -0.172 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1Cc3ccccc3CN1)C2)[C@H](O)CCl 1792978362 SCXRVXCMRHNGQT-RZFLPCETSA-N 407.898 -0.110 50 20 HBGD CCOC(=O)/C=C/C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1795467724 WHIQTZYBVWYSHQ-MDKZVNDUSA-N 400.240 -0.263 50 20 HBGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)n1cnnn1)C2 1800762384 AJYLCTVLAHOCAI-MJDLHHQISA-N 401.265 -0.393 50 20 HBGD COC(=O)CSCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCC(=O)NN(C)C 1802335256 ZKLIVYHVMIHGGP-BTTYYORXSA-N 414.528 -0.096 50 20 HBGD CC1CCN(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)CC1 1830726154 OFEOBYVDXGQKCF-QFBILLFUSA-N 417.934 -0.226 50 20 HBGD O=C1C[C@@H](C(=O)N2CCC(OC3CCN(C(=O)[C@H](O)CCl)CC3)CC2)CN1 1836718760 CUAHMJJNXBCJIE-IUODEOHRSA-N 401.891 -0.279 50 20 HBGD COC(=O)NCC(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836720317 PDFYSLZBDNJHHV-AWEZNQCLSA-N 405.879 -0.059 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(F)CC1)CCO2 1839756654 NFPPZZGCRNXGMH-GOSISDBHSA-N 421.429 -0.743 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)F)C2)C1 1840184165 VZWURUFLYDIBDT-SFHVURJKSA-N 402.467 -0.436 50 20 HBGD CC(C)(C)n1cc(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)nn1 1844804026 BSKCLGIHHFVONC-UHFFFAOYSA-N 411.271 -0.156 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2ccccc2C(N)=O)C1 1845400864 HLMRCZOBGQXSOF-UHFFFAOYSA-N 422.445 -0.085 50 20 HBGD Cc1cc(NC(=O)[C@H](C)SCC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)no1 729276980 QGAAHZZUHUDNPA-IUCAKERBSA-N 407.474 -0.872 50 20 HBGD O=C(COC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)c1ccccc1 745477627 NEYWVRRDPZBFAU-MPTQWLOMSA-N 401.375 -0.847 50 20 HBGD NC(=O)[C@H]1CC(C(=O)NNC(=O)CNC(=O)c2cccs2)=NN1c1ccccc1 751208377 CROZJMJEENSZPE-CYBMUJFWSA-N 414.447 -0.255 50 20 HBGD CCOC(=O)[C@@H]1CCC(=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)[C@@H](C)C1 761268211 XUJXBLDCGLUHBD-NWDGAFQWSA-N 418.454 -0.095 50 20 HBGD CNC(=O)c1ccc(OC)c(NC(=O)C(=O)NNC(=O)COc2ccccc2O)c1 764275223 KTWWIJFVKOMGRL-UHFFFAOYSA-N 416.390 -0.075 50 20 HBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)[C@H]2CCn3cncc3C2)CC1 764282370 OOSGHFHGCJSHNF-AWEZNQCLSA-N 419.511 -0.080 50 20 HBGD CCN(CC)S(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)COC)ccc1C 764302341 CDPJIHBYXURWPS-UHFFFAOYSA-N 400.457 -0.242 50 20 HBGD NC(=O)c1n[nH]c2ccc(NC(=O)C(=O)NNC(=O)COCc3ccccc3)cc12 764367186 JQVQOUZKCHQDQO-UHFFFAOYSA-N 410.390 -0.036 50 20 HBGD CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)CNC(=O)c2cccs2)cn1 769911715 NPPMIOSZDHNIIH-UHFFFAOYSA-N 411.465 -0.416 50 20 HBGD COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)NNC(=O)C(=O)NC2CC2)C1=O 771233796 GYOYONWPEZRJTB-LJQANCHMSA-N 417.422 -0.803 50 20 HBGD CC(=O)Nc1cncc(C(=O)NNC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)c1 773075125 PJUZSNPYBFKZBH-UHFFFAOYSA-N 411.378 -0.940 50 20 HBGD C[C@@](O)(Cn1ccccc1=O)C(=O)OCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 790674012 JWNGFNYTMOMANH-GOSISDBHSA-N 418.362 -0.488 50 20 HBGD CS(=O)(=O)NCc1ccc(NC(=O)NNC(=O)[C@@H]2CCc3nncn3C2)cc1 814640637 MVVCVHHZKBCZKA-GFCCVEGCSA-N 407.456 -0.257 50 20 HBGD CN(C)C(=O)CNC(=S)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 918717145 KRKLIQDPZORZME-UHFFFAOYSA-N 413.525 -0.332 50 20 HBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2ccn(C)c(=O)c2)CC1 1328575981 PPSRURCZHIUBRI-UHFFFAOYSA-N 406.468 -0.527 50 20 HBGD C[C@@H]1CCS(=O)(=O)CCN1C(=O)NNC(=O)c1csc(N2CCOCC2)n1 1339078370 WOHDDXKTNFVOLU-LLVKDONJSA-N 417.513 -0.157 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1ccc(F)cn1)CCO2 1783934108 YESKVVODDJQQGH-HXUWFJFHSA-N 421.473 -0.034 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/c3cnc[nH]3)C2)C1 1784312447 QOXWWWBCELPPMD-MEDHRJKHSA-N 404.471 -0.374 50 20 HBGD Cc1nccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)n1 1801011151 IUFPUMBNELFCKJ-ZSBFGKGUSA-N 404.471 -0.639 50 20 HBGD CC(=O)NCC(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807368057 XBYYEKVWGYQRNN-FXAWDEMLSA-N 424.266 -0.783 50 20 HBGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC=O)C2)C1 1830542717 CHMLRHHXVCYEBD-DVOMOZLQSA-N 420.304 -0.392 50 20 HBGD COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)nn1C 1830731241 IOMJOBOTYLFODL-GUYCJALGSA-N 416.862 -0.902 50 20 HBGD CN1CCC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)[C@H](O)CCl)CCO3)C2)C1 1830733406 LIPJIAZMNWOATK-DAYGRLMNSA-N 403.907 -0.616 50 20 HBGD C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](Cl)COC)C2)C1 1831401437 BVMKECLXFUFYGO-RKVPGOIHSA-N 402.875 -0.265 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CNC(N)=O)CC1 1831876994 PHTCLHZAGUDFCU-HNNXBMFYSA-N 410.519 -0.353 50 20 HBGD C=CC[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939828 JSVUWUVFVFKFLY-KKSFZXQISA-N 416.283 -0.351 50 20 HBGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc[nH]n3)CCO2)C1 1836345545 FNULQXRQGWFDNF-NHYWBVRUSA-N 416.276 -0.094 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1=NNC(=O)C1)CCO2 1837363311 AUVWWYXJIZODHS-QGZVFWFLSA-N 412.519 -0.830 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](COC)NC(C)=O)C2)C1 1839145498 JVVOBXZZUOVFQA-DAYGRLMNSA-N 419.906 -0.389 50 20 HBGD CC(=O)N[C@@H](C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1)C(C)(C)C 1843010527 YCNFFDIHMVOBEO-KRWDZBQOSA-N 415.299 -0.266 50 20 HBGD C[C@H](C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1)N1C[C@H]2C[C@@H]2C1 1844264310 FNBBMDKIBMFUKV-RBSFLKMASA-N 412.494 -0.158 50 20 HBGD O=C(CCNC(=O)c1n[nH]c2ccccc12)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 732755557 SRYQUXXVWQMYTF-SNVBAGLBSA-N 408.440 -0.800 50 20 HBGD COc1ncc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cn1 733908742 ZFDRQZKWAMEPLP-UHFFFAOYSA-N 421.435 -0.419 50 20 HBGD CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)NNC(=O)c2cccc(C#N)c2)c1 741853852 NQFDUZBHHDFGON-UHFFFAOYSA-N 403.420 -0.569 50 20 HBGD O=C(CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NNC(=O)[C@H]1COc2ccccc2O1 742469899 KRCFOOXHFBVPBM-XPLWTBFPSA-N 415.402 -0.474 50 20 HBGD O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)c1ccccc1 745477615 NEYWVRRDPZBFAU-BHTHQVBYSA-N 401.375 -0.847 50 20 HBGD Cn1nc(SCC(=O)NN=C2C(=O)Nc3cccc(Cl)c32)c(=O)n(C)c1=O 750932998 VIOSVCSJJZRBBG-UHFFFAOYSA-N 408.827 -0.303 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(-n2cccn2)c(F)c1 764226300 HQKVTOJLJHUIHF-SECBINFHSA-N 412.403 -0.965 50 20 HBGD Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)c1C 764430689 ZHSRRCFLEJPGCT-HNNXBMFYSA-N 412.406 -0.138 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2cn3cc(Cl)ccc3n2)n(C)c1=O 764817141 NLPQDZUPXMWGIA-UHFFFAOYSA-N 414.813 -0.115 50 20 HBGD COC(=O)c1ccc(O)c(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 764819897 WZZHIKGPZYRNDQ-UHFFFAOYSA-N 414.378 -0.924 50 20 HBGD Cc1ccccc1CC(=O)NNC(=O)CN1CCN(CC(=O)N2CCCC2)CC1 766836419 BVYXCNPANLYXTF-UHFFFAOYSA-N 401.511 -0.075 50 20 HBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 784917841 ZOKGQHQOPZCFSF-UHFFFAOYSA-N 406.487 -0.056 50 20 HBGD CN(C[C@@H]1CCCN(CC(=O)NNC(=O)c2cccc(C#N)c2)C1)S(C)(=O)=O 796128636 ZJUDXBRFXPDKOT-HNNXBMFYSA-N 407.496 -0.077 50 20 HBGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)N2CCN(C)CC2)[C@@H](C)O)cc1 819720726 FRBRLCVZGVYZCD-HIFRSBDPSA-N 413.500 -0.989 50 20 HBGD NC(=O)C1CCN(C(=O)C2CCN(CC(=O)NNC(=O)c3ccccc3)CC2)CC1 1116322350 NXIYECBRHPWRLV-UHFFFAOYSA-N 415.494 -0.117 50 20 HBGD C[C@@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1778854927 YNRNBXQZPUFGLF-MEBBXXQBSA-N 415.292 -0.067 50 20 HBGD CCc1cc(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)no1 1779694222 GCTSCGQUMIUNLJ-FQEVSTJZSA-N 413.239 -0.326 50 20 HBGD CC[C@@H](C)[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786982663 CFQGPHVUMBKIMK-ZAMIHWKFSA-N 418.299 -0.633 50 20 HBGD CC(=O)N1CCN(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](F)Cl)C[C@@H]32)CC1 1788246930 GXCPHBDXFPUICX-QBYUYEEZSA-N 418.897 -0.335 50 20 HBGD Cc1cn(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](F)Cl)C[C@@H]32)c(=O)nc1O 1792131216 HWXLNNDSFOUIBU-ZJQBRPOHSA-N 416.837 -0.229 50 20 HBGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCNC1=N)C2 1792867818 LNKLMPKRGUFZPG-NRWUCQMLSA-N 416.320 -0.553 50 20 HBGD C[C@@H]1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)O1 1795739144 PCUDKEDLTSLRFH-QMQAMEMWSA-N 402.256 -0.863 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C=CCN1 1796310956 YUWJYVYMTAZYQO-BCMCZCDPSA-N 414.466 -0.762 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(Cl)nn1 1798037411 JDOBJRCPYJTABD-DPIQGUFMSA-N 424.889 -0.294 50 20 HBGD CN1CCN(CC(=O)N2CC[C@H](CNC(=O)[C@H](O)CCl)[C@@H]2c2cccnc2)CC1 1803142901 MLLACDZDEQDVPB-LMMKCTJWSA-N 423.945 -0.066 50 20 HBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)Cn1cnnn1)CC2 1826085229 KNULWUOQCCHKRS-SNVBAGLBSA-N 421.487 -0.885 50 20 HBGD O=C(c1ccc(Cl)nn1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837832886 LFFGRJNOGKJACW-MLGOLLRUSA-N 419.265 -0.200 50 20 HBGD C[C@H](CBr)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NC=O)CCO2 1839159077 OOTSUQDVCIHFRM-WWGRRREGSA-N 420.304 -0.392 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CNC(=O)C1)CCO2 1839870591 OOMWBQWEJOSPIX-KDOFPFPSSA-N 413.547 -0.570 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 1840155697 GTXDQXJCODSOLU-DEYYWGMASA-N 417.890 -0.777 50 20 HBGD O=C(c1cnc2ncccn12)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014092 WNHJYMRKGOKXJC-UHFFFAOYSA-N 405.223 -0.460 50 20 HBGD C=CC(=O)N[C@H](C)C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1844370965 AHPIDJKNTYHCPL-GFCCVEGCSA-N 400.439 -0.807 50 20 HBGD C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCC(=O)NN(C)C 1847822099 VQLSSKDNQBQJMW-IHRRRGAJSA-N 402.517 -0.758 50 20 HBGD NS(=O)(=O)c1cccc(S(=O)(=O)NNC(=O)COc2ccccc2O)c1 730812228 LVGZHUJQYDGKLF-UHFFFAOYSA-N 401.422 -0.572 50 20 HBGD CCS(=O)(=O)N1CCC[C@@H](C(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)C1 732259500 FVEJKAXCYHEXFL-QLFBSQMISA-N 404.533 -0.305 50 20 HBGD C[C@H]1CN(CC(=O)NNC(=O)c2ccc(C#N)cc2)CCN1c1nccn2cnnc12 749450073 PQKYGVITOXJZIK-AWEZNQCLSA-N 419.449 -0.032 50 20 HBGD COC(=O)c1ccc(Cl)cc1S(=O)(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 751268185 VLJGEPTVRLDYSN-MRVPVSSYSA-N 410.857 -0.129 50 20 HBGD CS(=O)(=O)CCn1ccc(NC(=O)NNC(=O)[C@H]2COc3ccccc3O2)n1 756758189 GCNBTYZOGDUNFQ-CYBMUJFWSA-N 409.424 -0.080 50 20 HBGD O=C(CCNS(=O)(=O)c1cccnc1)NNc1nccc(N2CCOCC2)n1 762864857 FELKFDPRGOJGPH-UHFFFAOYSA-N 407.456 -0.480 50 20 HBGD Cc1cccc(OCC(=O)NNC(=O)C(=O)Nc2cnn(CC(=O)NC3CC3)c2)c1 763624142 JSYPOOCIEXLGJS-UHFFFAOYSA-N 414.422 -0.365 50 20 HBGD COc1cc(OC)cc(C(=O)NNC(=O)C(=O)Nc2c(OC)ncnc2N(C)C)c1 763770951 BSPCYSRPOUOZCO-UHFFFAOYSA-N 418.410 -0.032 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(Oc2ccccn2)c1 764227933 SNMRCEYIMSBHHH-NSHDSACASA-N 421.435 -0.103 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(OCC(F)F)cc1 783828291 NWWPTIWZFKLAQB-QMMMGPOBSA-N 401.413 -0.422 50 20 HBGD Cn1nc(SCC(=O)NN=Cc2cnnn2Cc2ccccc2)c(=O)n(C)c1=O 792960030 PXSCTNBOBSRHLN-UHFFFAOYSA-N 414.451 -0.639 50 20 HBGD CCNC(=O)N(C)c1cccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 797664988 FGOLVGDLRMUENL-SNVBAGLBSA-N 400.461 -0.057 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cccc(-n2cnc(N(C)C)n2)c1 799416714 QKILURWQGDRDKG-JTQLQIEISA-N 410.460 -0.576 50 20 HBGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2cncc(-n3ccnn3)c2)n1 801889493 UJOSLWZYAMFIMP-UHFFFAOYSA-N 401.408 -0.026 50 20 HBGD CN(C)C(=O)Cn1cc(C(=O)NNc2nc(Br)cn3ccnc23)nn1 1322350521 UATDSJZDJUPDBP-UHFFFAOYSA-N 408.220 -0.072 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783561736 IRKZIXNRPHKUJI-IOVUBPJKSA-N 415.406 -0.962 50 20 HBGD CC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@@H]21 1789858734 LIIIKGOHPGROBU-RVMXOQNASA-N 400.863 -0.465 50 20 HBGD CCC[C@@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1792182957 JIOUOYJOXYPBQA-RBZJEDDUSA-N 403.907 -0.129 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(=O)n1O 1794670948 PTYOXWYEWNZGJB-BTTYYORXSA-N 405.455 -0.290 50 20 HBGD O=C(c1ccc(Cl)nn1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731156 IHRINLNRIFYCKW-WBMJQRKESA-N 419.265 -0.200 50 20 HBGD CCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1834811636 OPCQTAPWYGSRFE-ORTNRGLGSA-N 405.455 -0.013 50 20 HBGD O=C([C@H](O)CCl)N1CC2(CCCN2C(=O)c2n[nH]c3c2CS(=O)(=O)C3)C1 1843129431 QVTFGGIZZJNLLN-LLVKDONJSA-N 402.860 -0.745 50 20 HBGD Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 758037008 XOVQQKJDHSCYNT-LBPRGKRZSA-N 420.513 -0.943 50 20 HBGD COc1ccc(C(=O)NCCNC(=O)NNC(=O)C(=O)Nc2ccccn2)cc1 758700587 JSLQENAEYDCQBD-UHFFFAOYSA-N 400.395 -0.211 50 20 HBGD COc1cccc(S(C)(=O)=O)c1NNC(=O)Nc1ncn(CC(=O)N(C)C)n1 769243516 ZAECTLQJVCZCPD-UHFFFAOYSA-N 411.444 -0.073 50 20 HBGD COCCNS(=O)(=O)c1cccc(C(=O)NNC(=O)Cn2nc(C)cc2C)c1 913055245 LWBHMVCSTVWNGQ-UHFFFAOYSA-N 409.468 -0.114 50 20 HBGD O=C(COC(=O)C(F)(F)F)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1778891450 GFHNZUGDGCXEDO-NOZJJQNGSA-N 402.753 -0.479 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nccn1C)C2 1782210772 JVKIVOHQSICTHG-FOIQADDNSA-N 420.514 -0.079 50 20 HBGD CC[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)Cn3cnnn3)CCO2)C1 1783342311 KNEOCNRAMLZJQY-RISCZKNCSA-N 401.265 -0.324 50 20 HBGD O=C(NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1)c1ccco1 1784090273 WMZPXLWFAXEHDR-XPCVCDNBSA-N 413.858 -0.411 50 20 HBGD O=C(C[C@@H]1NC(=O)NC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(Cl)Cl)C[C@@H]21 1785154766 PRZAGQPXIJRWRS-XKNYDFJKSA-N 407.254 -0.632 50 20 HBGD CCC(=O)N[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1793454151 AJTVTDMEQYOIFF-FQUUOJAGSA-N 416.482 -0.148 50 20 HBGD Cc1noc(C)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1794694728 YMMGBLGPRNHERT-ZSBFGKGUSA-N 407.471 -0.132 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c[nH]c(=O)cn1)C2)[C@H](F)Br 1799348363 HFROMHLIVHELMO-VVJJBPBLSA-N 403.208 -0.336 50 20 HBGD COCc1oncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801011140 HLKFCUWQOIGQAM-IVWMJMPLSA-N 423.470 -0.603 50 20 HBGD CC(C)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835932000 KGPOTNJWBVMJSJ-NRFANRHFSA-N 418.299 -0.127 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3ccco3)C2)C1 1835935202 GYCHGIMUQAVUEW-HXUWFJFHSA-N 414.223 -0.657 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)[C@H]2CCCS2(=O)=O)C1 1845915174 FIHOJQJNSHGODG-CYBMUJFWSA-N 400.501 -0.860 50 20 HBGD CN(C)c1cccc(C(=O)NNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)c1 17252590 ZGKCYLAEEDRVSN-UHFFFAOYSA-N 413.438 -0.649 50 20 HBGD CC(C)CC(=O)NNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 24608882 NBALXOYSAFRISQ-AWEZNQCLSA-N 419.525 -0.038 50 20 HBGD CCN(CC)C(=O)CNC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 64771266 FPIWSQJHZQHLKH-UHFFFAOYSA-N 413.500 -0.186 50 20 HBGD Cc1csc(CC(=O)NNC(=O)CN2CCC(N3CCC[C@@H]3C(N)=O)CC2)n1 729266328 XHTVSAIQSHHVOP-CQSZACIVSA-N 408.528 -0.444 50 20 HBGD Cc1c(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)nnn1-c1ccc2c(c1)OCCO2 731454181 VPOFHNCIUICCME-NSHDSACASA-N 421.435 -0.457 50 20 HBGD O=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)NNC(=O)C1CCC1 732240557 FJQBVYIVRLILDR-UHFFFAOYSA-N 410.500 -0.336 50 20 HBGD COc1ccccc1NCC(=O)NNC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 743294020 PGCWSVWTSHGZBP-OMNBBPDLSA-N 402.407 -0.583 50 20 HBGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)[C@H]1CC(=O)N(CCN2CCOCC2)C1 746308554 PIEIXRMCYKRIMX-WMLDXEAASA-N 418.450 -0.846 50 20 HBGD CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NNC(=O)CNC(=O)c1ccco1 751202871 JQGIKURLHUQRGB-LBPRGKRZSA-N 400.457 -0.249 50 20 HBGD CNC(=O)COc1ccc(C(=O)NNC(=O)CNC(=O)c2ccco2)cc1OC 751203389 OUSOJKWTVDGESV-UHFFFAOYSA-N 404.379 -0.396 50 20 HBGD CN(C)C(=O)Cn1ccc(NC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)n1 756310786 JCOOPYWHWRUIDE-UHFFFAOYSA-N 415.458 -0.169 50 20 HBGD O=C1COc2ccc(NC(=O)C(=O)NNC(=O)[C@H]3COc4ccccc4O3)cc2N1 763572220 MCQTVWHLHYJNHI-OAHLLOKOSA-N 412.358 -0.057 50 20 HBGD COc1ccc(NNC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)c([N+](=O)[O-])c1 768336202 YNAWFXVPHVKWBL-UHFFFAOYSA-N 403.355 -0.506 50 20 HBGD O=C(Cn1nnc2ccccc2c1=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772193731 ZPAGNEDCJIZKEY-UHFFFAOYSA-N 414.809 -0.091 50 20 HBGD COC(=O)c1cc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)n(C)c1C 800813755 AQONJNNICDLGTP-UHFFFAOYSA-N 415.410 -0.982 50 20 HBGD CN(C)C(=O)Cn1cnc(NC(=O)NNc2ccccc2S(=O)(=O)N(C)C)n1 814650653 VZUJCQSICODFLS-UHFFFAOYSA-N 410.460 -0.235 50 20 HBGD CC[C@@H](N=c1nn[nH]n1-c1ccccc1)C(=O)NNC(=O)[C@@H]1CCc2nncn2C1 816879771 VPOVCKRFYGYVLP-TZMCWYRMSA-N 410.442 -0.724 50 20 HBGD COC(=O)c1ccc(Cl)c(S(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 914563875 RJDZEQQWVKQNPB-SECBINFHSA-N 410.857 -0.129 50 20 HBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)[C@H]1C[C@H]1F 1780630237 PDSUGVVYMAMEGQ-TVKQPGBESA-N 404.247 -0.148 50 20 HBGD O=C(Cn1ccncc1=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2 1781480616 ADTZXXVJPOLKFP-HBUWYVDXSA-N 412.874 -0.643 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3nccnc3C(N)=O)CCO2)C1 1783880312 AUNVZTDDMBZAIE-DIFFPNOSSA-N 411.846 -0.727 50 20 HBGD CC[C@@H](C)[C@@H](N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1786816479 HNYOQTOGZAOFJC-ZAMIHWKFSA-N 417.315 -0.667 50 20 HBGD Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)cn1 1786984611 RMJPSLBLFWWCEV-IHPCNDPISA-N 423.278 -0.023 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@]1(F)Cl 1801094817 QJOCYHQVPSUQFQ-MDVSLZIOSA-N 404.870 -0.127 50 20 HBGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=C\C(=O)NC1CC1)C2 1802336957 BZJFAOIIDRFTFC-FYVVFRBKSA-N 405.499 -0.168 50 20 HBGD CCOC(=O)N[C@@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCC(=O)NN(C)C 1802337946 XRXYUXFZDBJEGO-LKQDWFRTSA-N 413.475 -0.938 50 20 HBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1CCC(=O)N1)CC2 1826085373 ORLSMUCANWUYHT-PWSUYJOCSA-N 422.511 -0.293 50 20 HBGD O=C(CN1C(=O)C=CC1=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](O)CCl)CC2 1826313365 TXSTUOYOEPKTLW-WCBMZHEXSA-N 412.855 -0.420 50 20 HBGD CN1CCCC[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1830752079 NMNJSHFZCQRKQY-IIDMSEBBSA-N 403.907 -0.473 50 20 HBGD CN(C)C(=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1839152299 VFWAIHLKSDHYER-JKSUJKDBSA-N 410.298 -0.233 50 20 HBGD O=C(Cc1ccc(O)cn1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840494894 YCQKHZNXSUFPPH-YJBOKZPZSA-N 413.858 -0.614 50 20 HBGD CCNC(=O)NNC(=O)c1ccc(S(=O)(=O)N(CCOC)CCOC)cc1 65189579 QVJNQIUJOOJXFC-UHFFFAOYSA-N 402.473 -0.066 50 20 HBGD CS(=O)(=O)N1CCC[C@H]1C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1 726863347 OFXKVCMKXKFHKA-AWEZNQCLSA-N 402.498 -0.006 50 20 HBGD CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NNC(=O)COc2ccccc2O)C1 730812934 ZXOCOXHLGKDPAL-GFCCVEGCSA-N 401.441 -0.088 50 20 HBGD COc1ccc(CC(=O)NNC(=O)N(C)C)cc1S(=O)(=O)N1CCOCC1 746007903 HKWYWJWOKWUCFA-UHFFFAOYSA-N 400.457 -0.439 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@H](C)C[S@@](C)=O)cc1 753356047 BDORJXYXXGYFGN-XELLLNAOSA-N 404.514 -0.287 50 20 HBGD COc1ccc(OCC(=O)NNC(=O)NC[C@H]2CCCN2S(C)(=O)=O)cc1 753688713 GPTPHJCIFZTWBV-GFCCVEGCSA-N 400.457 -0.172 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CCCNC(=O)OCc1ccccc1 758047730 NHISUAKGOCBSKN-LBPRGKRZSA-N 400.457 -0.222 50 20 HBGD NC(=O)[C@@H]1CC(C(=O)NNC(=O)C(=O)Nc2ccccn2)=NN1c1ccc(F)cc1 758833025 CWJSDJDWTOTCQU-ZDUSSCGKSA-N 413.369 -0.573 50 20 HBGD CNC(=O)Cn1cc(NC(=O)C(=O)NNC(=O)CSc2ccc(C)cc2)cn1 763898504 WZVROEMMTDJVIG-UHFFFAOYSA-N 404.452 -0.184 50 20 HBGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)n(Cc2ccccc2)n1 764228226 WDAMXSPSPQZKQG-GFCCVEGCSA-N 422.467 -0.737 50 20 HBGD CNC(=O)[C@H]1CCC[C@@H]1NC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 766274759 GUBMULRWTYQTTE-KBPBESRZSA-N 411.484 -0.204 50 20 HBGD N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)NNC(=O)c1ccccc1 769171274 OJTKIHGHLUCGSR-UHFFFAOYSA-N 416.415 -0.159 50 20 HBGD C[C@]1(c2cccc(C(=O)NNC(=O)CNC(=O)c3cccnc3)c2)NC(=O)NC1=O 769253590 NQRVPRXFXGYXFH-LJQANCHMSA-N 410.390 -0.673 50 20 HBGD C[C@@H]1C[C@H](NC(=O)NNc2nc(O)c3cnn(C)c3n2)C(=O)N1c1cnn(C)c1 770399224 LAQRGUHTWCKSGG-KCJUWKMLSA-N 400.403 -0.378 50 20 HBGD CC(C)[C@@H]1C[C@H](CC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CCO1 781709300 IHVPHXMJAXTYGQ-OLZOCXBDSA-N 420.470 -0.578 50 20 HBGD COCCN1C(=O)c2ccc(C(=O)NNC(=S)NC(C)C)cc2S1(=O)=O 1251137206 QPRVMWTXVKWOAN-UHFFFAOYSA-N 400.482 -0.005 50 20 HBGD CNS(=O)(=O)N1CCC(C(=O)NNc2c(OC)cccc2S(C)(=O)=O)CC1 1323574738 JULKLQCBQQSFCN-UHFFFAOYSA-N 420.513 -0.282 50 20 HBGD COC[C@@H](NC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2 1779554536 WMQWPLZEVMTVCA-BASYENTBSA-N 419.906 -0.749 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1783879888 ZBKNGCRFNJFDLH-SUMWQHHRSA-N 404.895 -0.557 50 20 HBGD Cn1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)n1 1786082820 MNOXRQHXIKDQLM-ZVZYQTTQSA-N 412.255 -0.993 50 20 HBGD CC(C)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H]1NC(=O)NC1=O 1793939007 JDQPIKKHBZHNPU-NOHGZBONSA-N 400.863 -0.561 50 20 HBGD COc1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)cn1 1794951611 KECHTUWQRHJLMG-IVWMJMPLSA-N 420.470 -0.939 50 20 HBGD Cc1ocnc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797751503 BAJVTCTWXBAEIH-DRXBFXEBSA-N 414.422 -0.501 50 20 HBGD CCOC(=O)N[C@@H](O)C(=O)N1CCC2(CCCN(C(=O)[C@H](O)CCl)C2)CC1 1805524620 WDDWWQWIWZGQHZ-OLZOCXBDSA-N 405.879 -0.118 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCC2(CCCN(C(=O)Cn3cncn3)C2)CC1 1810152030 OEFXBJMVCOWGJB-UHFFFAOYSA-N 405.503 -0.118 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)Cn3cncn3)sc2C1 1815671462 AGXMUUPHIAZKLQ-NSHDSACASA-N 420.499 -0.280 50 20 HBGD CSCC[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830738639 RGLYWULMQFEWDL-ZENOOKHLSA-N 410.920 -0.844 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC[C@H](N)C(N)=O)C2)C1 1839143862 JSXPRHLVCWVKQR-GDZNZVCISA-N 404.895 -0.947 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CC1)CCO2 1840635087 UOWYZQQTXBJZCG-YRXLECQKSA-N 417.466 -0.013 50 20 HBGD Cc1cc(C)n(CC(=O)NNC(=O)CCNC2=NS(=O)(=O)c3ccccc32)n1 12667026 VINLEOSMMALNRN-UHFFFAOYSA-N 404.452 -0.224 50 20 HBGD CS(=O)(=O)Nc1cccc(CNC(=O)NNC(=O)CNC(=O)c2ccco2)c1 725871795 QSYHOSSDKYWTPB-UHFFFAOYSA-N 409.424 -0.089 50 20 HBGD CNC(=O)C1(C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)CCC1 730031162 DXWOTXXBKRAUDV-UHFFFAOYSA-N 409.512 -0.018 50 20 HBGD O=C(Cn1cnc([N+](=O)[O-])n1)NNc1ccccc1S(=O)(=O)N1CCOCC1 744620610 ISMDUKKJYYEGBG-UHFFFAOYSA-N 411.400 -0.650 50 20 HBGD CCCn1c(=O)nc(O)c2c(C(=O)NNC(=O)[C@@H]3COCCO3)cc(C3CC3)nc21 744649328 LGAXHMYDJHMRFV-ZDUSSCGKSA-N 417.422 -0.039 50 20 HBGD CC(=O)Nc1cncc(C(=O)NNC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)c1 746307031 MNVRDHGAOSUQMT-UHFFFAOYSA-N 413.394 -0.996 50 20 HBGD CCN(CC)S(=O)(=O)CC(=O)N1CCN(S(=O)(=O)CBr)CC1 758528922 ZZBASUSSWYLHHV-UHFFFAOYSA-N 420.351 -0.516 50 20 HBGD O=C(CNC(=O)c1ccc(Br)o1)NNC(=O)C(=O)Nc1ccccn1 758906367 HQJKNQVUURMGAV-UHFFFAOYSA-N 410.184 -0.047 50 20 HBGD CCN(CC)c1ccnc(NNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)n1 762902016 OFIFJZARCUJXJX-UHFFFAOYSA-N 415.458 -0.397 50 20 HBGD CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)NNC(=O)CN(C)C)cc2)CC1 764212954 RMYKQHCLHIRPTB-UHFFFAOYSA-N 404.471 -0.888 50 20 HBGD Cc1ccn(-c2ccccc2NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)n1 764233332 UVVDODUPEQPQAS-NSHDSACASA-N 408.440 -0.796 50 20 HBGD Cc1nccc(-c2cccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c2)n1 764234811 ZWEBVCLVWVUJLQ-SNVBAGLBSA-N 420.451 -0.524 50 20 HBGD CCN(CC)C(=O)COc1ccc(NC(=O)C(=O)NNC(=O)CO)cc1Cl 764422262 RPNRWSOXJKITET-UHFFFAOYSA-N 400.819 -0.335 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2nnc(C3CC3)s2)n(C)c1=O 765313207 PVCIWELRMQGTBE-UHFFFAOYSA-N 419.427 -0.985 50 20 HBGD Cn1cc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(-c2ccccc2)n1 771557863 PNXWIKCPBDMBOU-UHFFFAOYSA-N 420.433 -0.016 50 20 HBGD CC(C)[C@H](C(=O)NNC(=O)C1CCN(c2ncccn2)CC1)N1CCCS1(=O)=O 772688589 RDVOWDMQCFHCEB-OAHLLOKOSA-N 424.527 -0.100 50 20 HBGD COC(=O)Cn1cc(C(C)=NNC(=O)Cc2csc(N3CCOCC3)n2)nn1 772838728 LWKIJWJQGJYYOM-UHFFFAOYSA-N 407.456 -0.173 50 20 HBGD CCOC(=O)c1cnc(NNC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)nc1C 778429962 NZXCAWJKLUDVSH-UHFFFAOYSA-N 415.410 -0.392 50 20 HBGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1cccc(Cl)c1N1CCOCC1 783999649 HNOLPXKUSSTBGG-UHFFFAOYSA-N 423.857 -0.115 50 20 HBGD COC(=O)c1ccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c(N(C)C)c1 792409935 MBPVIZTUZXFUAP-SECBINFHSA-N 401.445 -0.370 50 20 HBGD O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)NNC(=O)COc1ccccc1O 796254755 MLYGLVXLPQYHOA-UHFFFAOYSA-N 419.419 -0.227 50 20 HBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 810944064 MIADMQYPZMSVDW-UHFFFAOYSA-N 411.440 -0.491 50 20 HBGD O=C(CN1CCC[C@H](n2cc(CO)nn2)C1)NNC(=O)c1cccc([N+](=O)[O-])c1 815142746 ZLPGWXRMPWHTRW-HNNXBMFYSA-N 403.399 -0.223 50 20 HBGD O=C(NNC(=O)[C@H]1CCCO1)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F 815779773 UYKBXTPAYUUOLV-CYBMUJFWSA-N 414.415 -0.370 50 20 HBGD CC(C)NS(=O)(=O)c1cc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)ccc1F 914720137 SWNUPAWTHTZABY-LLVKDONJSA-N 421.472 -0.292 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=S)NC3CC3)CC2)cc1 916926158 TVTOCWAYTGLHSH-UHFFFAOYSA-N 411.553 -0.041 50 20 HBGD CN(CC(=O)N1CC[C@@]2(CN(C(=O)CN)CCO2)C1)NC(=O)NCc1ccccc1 1780968728 DTUYADUMPYHTJV-FQEVSTJZSA-N 418.498 -0.879 50 20 HBGD COc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)n(C)n1 1794651725 PZZCPJWZEIACNM-MUJYYYPQSA-N 412.255 -0.326 50 20 HBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(F)c[nH]1)C2 1797754041 QCJHKAFRXULSAA-CULMDFNYSA-N 416.413 -0.331 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(F)(F)Cl 1801153511 CWUDUNMOIKLPAY-BZBKMWRSSA-N 417.800 -0.280 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1cnc[nH]1 1801240299 BYJFCANAMFNKDG-GFYLOJAKSA-N 404.471 -0.615 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)C1CCSCC1 1802169012 NKGSMNMZIDCQFU-ALXJQNPVSA-N 418.324 -0.287 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)C3CC(O)C3)CC2)CC1 1833276661 TUDHMORTJBSCRW-UHFFFAOYSA-N 423.558 -0.298 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(=S)NC)CCO2)C1 1837467193 ZHTKHUZLKZRHLT-CXAGYDPISA-N 420.963 -0.056 50 20 HBGD CC(C)(C)OC(=O)CC(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010359 IBOVJGQONYVHBK-UHFFFAOYSA-N 402.256 -0.085 50 20 HBGD COCCn1nccc1C(=O)N1CCCC12CN(C(=O)CCC(=O)NN(C)C)C2 1843510260 QGCVEWQQAYWGQJ-UHFFFAOYSA-N 406.487 -0.281 50 20 HBGD COCCCNC(=O)NNC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 65208678 IDICZIYLIQFJMM-UHFFFAOYSA-N 414.484 -0.004 50 20 HBGD Cn1cc(C(=O)NNC(=O)c2cc(S(N)(=O)=O)ccc2Br)cn1 735471157 RLKKAJBVXHFSIV-UHFFFAOYSA-N 402.230 -0.095 50 20 HBGD C[C@@H](CNC(=O)NNC(=O)c1csc(N2CCOCC2)n1)CN1CCOCC1 739059665 SFHYDGOIJWBYEJ-ZDUSSCGKSA-N 412.516 -0.108 50 20 HBGD CC(C)NC(=O)C(=O)NNC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1 746819105 NSFYHXGWCBGBGB-HNNXBMFYSA-N 401.423 -0.866 50 20 HBGD CCOc1ccc(NC(=O)NNC(=O)COC)cc1S(=O)(=O)N1CCOCC1 755544195 DXNPYGKCLDXDPU-UHFFFAOYSA-N 416.456 -0.095 50 20 HBGD Cn1nc(SCC(=O)NN=Cc2ccc(Br)nc2)c(=O)n(C)c1=O 756880459 NBNQSKHZPLSDHU-UHFFFAOYSA-N 413.257 -0.121 50 20 HBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 764210423 DWYHVEUFBSWXOY-MRXNPFEDSA-N 418.498 -0.500 50 20 HBGD CCN1CCN(Cc2ccc(NC(=O)C(=O)NNC(=O)Cc3cc[nH]n3)cc2)CC1 764293410 OSZNTZYSPCEPKC-UHFFFAOYSA-N 413.482 -0.124 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2c([N+](=O)[O-])cnn2C)cc1 766756915 ODEOZGXOFQGEAO-UHFFFAOYSA-N 410.412 -0.282 50 20 HBGD C=CCN1C(=O)C(=O)N(CC(=O)NNc2nc(O)c3cnn(C(C)(C)C)c3n2)C1=O 770953893 AHZMXCRSUWPCQD-UHFFFAOYSA-N 416.398 -0.293 50 20 HBGD NC(=O)COc1ccc(C(=O)N2CCN(S(=O)(=O)CBr)CC2)cc1 777777218 GLJOTMMDEIPGNX-UHFFFAOYSA-N 420.285 -0.009 50 20 HBGD COc1ccc(OC)c(C2=NO[C@H](C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)C2)c1 791476544 GMLIKFIQXXKVEP-BMIGLBTASA-N 411.436 -0.221 50 20 HBGD C[C@@H]1CCC(=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)[C@@H](n2cncn2)C1 794525016 RXKIBIXXJACKIO-YPMHNXCESA-N 413.442 -0.441 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2cncc(F)c2)cc1 799257706 QIVKQCBAXIBMFW-UHFFFAOYSA-N 423.426 -0.064 50 20 HBGD CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NNC(=O)C(=O)NC(C)C)c1 800831400 DSDQMIJNVVIYPB-UHFFFAOYSA-N 420.513 -0.449 50 20 HBGD Cc1sc2ncn(CC(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)c(=O)c2c1C 919889375 LQBNFVLKVKLBSM-JTQLQIEISA-N 413.481 -0.408 50 20 HBGD C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](F)Cl)CCO2)C1 1779181053 ZKRQIRXKUGHDOY-XTQGRXLLSA-N 413.837 -0.041 50 20 HBGD O=C1NC(=O)[C@H](CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C(Cl)Cl)C2)N1 1782215125 XLSBYZIPTTTZTH-YNHOBRIKSA-N 421.281 -0.098 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1cnccn1)CCO2 1783933331 IBDIMAZVARVYPE-LJQANCHMSA-N 404.471 -0.778 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCCS3(=O)=O)C[C@@H]21)[C@H](O)CCl 1784093816 GMDNSRZVKQQNSK-PDWCTOEPSA-N 408.904 -0.857 50 20 HBGD CN1CCC[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)C1 1789745125 PSDMHWMKTSJBHO-OWSLCNJRSA-N 423.558 -0.319 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnnc(Cl)c1)C2 1801009498 MJUDGWGWJMGKTC-FVCICTRLSA-N 424.889 -0.294 50 20 HBGD Cc1nccn1[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1801459060 UTWNLUJDPAGGJH-AMVTXUCVSA-N 420.514 -0.285 50 20 HBGD C[C@@H](NC=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCC(=O)NN(C)C)CC2 1822903358 SIPJOSIOOXDPKO-MNOVXSKESA-N 410.500 -0.437 50 20 HBGD CNC(=O)CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1824436019 GIFZAKZKMXSRDL-GOSISDBHSA-N 415.299 -0.264 50 20 HBGD CCc1[nH]nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1F 1830724427 HCNXDLDTISNYDD-SJCJKPOMSA-N 418.853 -0.219 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1836211329 ZUOJTPRASGVBRO-HOTGVXAUSA-N 420.297 -0.029 50 20 HBGD CN[C@H](CC(=O)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1)C(=O)O 1836716642 HFQJPYGFBSAHSQ-HUUCEWRRSA-N 419.906 -0.353 50 20 HBGD O=C(c1ncccc1F)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1838244473 AGILFEYRTXAMAS-GUYCJALGSA-N 401.822 -0.110 50 20 HBGD C[C@@H]1C[C@]1(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1839093502 SSQWTUHCEKKUGD-XPGWFJOJSA-N 410.515 -0.138 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1839154400 MVPGLSRXKCJEFF-PYTWLRIVSA-N 424.325 -0.598 50 20 HBGD CCC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](Cl)COC)CCO2)C1 1840150946 UJOMIZWCITZAQU-QWQRMKEZSA-N 419.906 -0.389 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C3(F)CCC3)C2)C1 1840186021 WLFUIJXLSYNCSZ-GOSISDBHSA-N 414.478 -0.292 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(N)=O)CCO2)C1 1840921373 URTDEEOHLIJGGN-HUUCEWRRSA-N 411.286 -0.653 50 20 HBGD C[C@@H](Nc1cnccn1)C(=O)N1CCCC12CN(C(=O)CCC(=O)NN(C)C)C2 1844280810 HUVHCGSBMNZKGC-CQSZACIVSA-N 403.487 -0.147 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)[C@@H]2CCc3nc[nH]c3C2)C1 1846549634 XFPDOBDVVNCFJO-OAHLLOKOSA-N 408.267 -0.288 50 20 HBGD C[C@H](CBr)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1C(=O)CNC1=O 1847494305 OKBWHAYKRHYTGU-VWYCJHECSA-N 401.261 -0.229 50 20 HBGD C[C@@H](CBr)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN(CCO)CCO 1847501894 HIXUWFICMNFKSC-IHRRRGAJSA-N 406.321 -0.494 50 20 HBGD Cn1cnc2c1c(=O)n(CC(=O)NNC(=O)Cc1cccc3ccccc13)c(=O)n2C 12060291 BLMUSHFSQCLRMB-UHFFFAOYSA-N 420.429 -0.023 50 20 HBGD COc1cccc(NCC(=O)NNC(=O)CNS(=O)(=O)c2cn(C)c(C)n2)c1 728207946 HJYWFDBXQOGJTJ-UHFFFAOYSA-N 410.456 -0.725 50 20 HBGD O=C1NC(=O)c2cc(S(=O)(=O)NNC(=O)[C@H]3COc4ccccc4O3)ccc21 731594646 JEPFQCMTVDSARP-CQSZACIVSA-N 403.372 -0.280 50 20 HBGD Cc1cc(CNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)n[nH]1 739020165 LGXTZFGSSJDRMB-UHFFFAOYSA-N 408.488 -0.124 50 20 HBGD CCOc1ccccc1[C@@H](CC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)NC(C)=O 758027263 VTRZIVRXPHIKAY-SMDDNHRTSA-N 414.484 -0.262 50 20 HBGD Cc1c(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)nnn1-c1cccc2cnccc12 758050323 BFNVEYBPMGFSQL-SNVBAGLBSA-N 417.451 -0.177 50 20 HBGD Cc1cc(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc(C(=O)O)c1Cl 759095101 DINRWCIHAGNYOG-ZETCQYMHSA-N 413.861 -0.406 50 20 HBGD O=C(NNc1nccc(N2CCOCC2)n1)C1=CC=CN2CCS(=O)(=O)N=C12 762862453 SKSVGZQHSZBJIQ-UHFFFAOYSA-N 405.440 -0.746 50 20 HBGD O=C(NNC(=O)[C@H]1Cc2ccccc2O1)C(=O)Nc1cc(-n2cnnn2)ccc1F 764152533 DXYOSWZVLKLQOY-OAHLLOKOSA-N 411.353 -0.109 50 20 HBGD CCOc1cccc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 765730605 MKBQEOJUISKZRO-UHFFFAOYSA-N 400.395 -0.706 50 20 HBGD CC(=NNC(=O)C[C@H](C(=O)NN=C(C)c1cn[nH]c1)N1CCOCC1)c1cn[nH]c1 794849754 GCXHZRZDULATHS-MRXNPFEDSA-N 415.458 -0.396 50 20 HBGD Cc1cc(C(=O)NNC(=O)CN2CCN(S(C)(=O)=O)CC2)c2ccccc2n1 799009278 RXPUVIBVYDBOOB-UHFFFAOYSA-N 405.480 -0.119 50 20 HBGD O=C(CSCC(=O)N1CCOCC1)NNC(=O)c1ccc(-n2cnnn2)cc1 913155956 KHDJJADTMVUVAM-UHFFFAOYSA-N 405.440 -0.985 50 20 HBGD O=C(CN1CCCNC1=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 914771190 QAKWSVSVJGVCJM-UHFFFAOYSA-N 409.468 -0.353 50 20 HBGD C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)NCCS(N)(=O)=O 916625385 HOBKHWNYZLERMN-QMMMGPOBSA-N 409.262 -0.165 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1779091825 FWCPMFOBDLONQZ-SJLPKXTDSA-N 415.563 -0.682 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CC[C@]2(CN(C(=O)C[C@H]3NC(=O)NC3=O)CCO2)C1 1781224752 NZDYQYIWXUVMJL-VFVAKGGASA-N 421.281 -0.349 50 20 HBGD COc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)cn1 1783933344 ISEWGSXVEWYBAL-FQEVSTJZSA-N 419.482 -0.093 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCCCO3)C[C@@H]21)c1ccc(B(O)O)cc1 1786978623 DVQBZQDRSUXJEG-KANFNMMFSA-N 416.283 -0.471 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccncn3)C[C@@H]21 1791291044 JEYXBTWCTWMAFB-DZKIICNBSA-N 404.471 -0.557 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC[C@H]3CCC(=O)N3C1)C2)[C@@H](O)CCl 1792978569 GHNOXNPYXIDJLZ-AGCIWZEPSA-N 413.902 -0.423 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnsn1 1794381821 ZFXPMVWXPHNUPK-WDAIWFPHSA-N 417.451 -0.946 50 20 HBGD O=C(CC(F)(F)C(=O)O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830727910 KMDBRQOSUXZXEM-HZMBPMFUSA-N 414.789 -0.848 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NC(C)=O)C2)C1 1840150552 NEBQVVSCCPFABI-KDOFPFPSSA-N 419.906 -0.389 50 20 HBGD CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841347680 BSOBREAHSXOQGM-RYUDHWBXSA-N 405.879 -0.325 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccnc1C(N)=O 1848298528 HBZLARBQCXMXPS-GJZGRUSLSA-N 423.433 -0.692 50 20 HBGD C[C@H]1Cc2cc(C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)ccc2N1S(C)(=O)=O 9931079 GIHBSFGDSLIZKZ-CMPLNLGQSA-N 415.493 -0.407 50 20 HBGD CC(=O)N[C@@H](CC(=O)NNC(=O)[C@@H](C)Oc1cccc(Br)c1)C(N)=O 740748883 CACYIKFGCQZXKY-PELKAZGASA-N 415.244 -0.256 50 20 HBGD COC(=O)c1cc(C)ccc1S(=O)(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 753964422 PACDNXAQFOGWQA-SNVBAGLBSA-N 405.454 -0.539 50 20 HBGD CCn1nc(C(=O)NNC(=O)c2coc(S(=O)(=O)NC)c2)c2ccccc2c1=O 755406999 HNZWPMZSJSEMSR-UHFFFAOYSA-N 419.419 -0.008 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCN(c2cccc(Cl)c2)C1=O 758036611 SQFVEKBRUAGHGF-JOYOIKCWSA-N 402.860 -0.222 50 20 HBGD CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)CC1CC1 764143452 QSPZPDHRVPJJLN-UHFFFAOYSA-N 411.484 -0.111 50 20 HBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccccc1CN1CCN(C(C)=O)CC1 782117101 JSBOACPWWRKZBF-UHFFFAOYSA-N 405.455 -0.527 50 20 HBGD COC(=O)c1cc(F)cc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)c1F 797071785 RELVGEPYWVYFIV-UHFFFAOYSA-N 424.316 -0.140 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1 801109583 UTMRQKOILWJSAX-JSGCOSHPSA-N 422.463 -0.883 50 20 HBGD Cc1ccnc2ccc(C(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc12 802763137 RMGJRYILPZXARI-UHFFFAOYSA-N 421.417 -0.248 50 20 HBGD Cc1cc(CNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)n(C)n1 807223458 ZNLSHLPSCNVMGD-UHFFFAOYSA-N 422.515 -0.114 50 20 HBGD CN(C)S(=O)(=O)c1ccc(NNC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cc1 812731955 OOZBHZILFTUJNB-RRCSTGOVSA-N 422.463 -0.458 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](O)N3CCOCC3)CCO2)C1 1781230513 UNJYXEAVFZCZRU-COXVUDFISA-N 424.325 -0.297 50 20 HBGD CCCNC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784085781 PEQINFPTPSTEEB-AJNGGQMLSA-N 403.907 -0.128 50 20 HBGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCNC3=N)C[C@@H]21 1791251935 ZNFAFMDAJKRNJW-FQUUOJAGSA-N 401.895 -0.940 50 20 HBGD COCCn1nccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792978288 OQPKENKDXGRHAT-NEBZKDRISA-N 400.863 -0.668 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncc[nH]1 1794499894 AUWJEJYKHLJRQX-UDQUNYCESA-N 413.438 -0.253 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccco1)C2)c1cccc(B(O)O)c1 1795737193 BUZYDMRDSJDDKV-CWPLJXCYSA-N 412.251 -0.205 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H]1CCCCO1)C2)c1cccc(B(O)O)c1 1795737303 QPGCIMWEJORJRX-YNVMFWSZSA-N 416.283 -0.471 50 20 HBGD CCC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)C(=O)C(=O)O 1800259056 JNXLFDDOFNPTIB-OPDFLTKYSA-N 403.863 -0.474 50 20 HBGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1nc[nH]n1)CC2)c1ccc(B(O)O)cc1 1815341239 TVFUPJQBRSTJFT-NSHDSACASA-N 412.240 -0.519 50 20 HBGD CN(C)C(=O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1817171326 ZYMCWFZSOOHLMN-OAHLLOKOSA-N 413.243 -0.516 50 20 HBGD NC(=O)[C@H](N)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](O)CCl)CC1 1826933113 WPCFBJSHASORNH-KFWWJZLASA-N 402.923 -0.201 50 20 HBGD N=C(N)SCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830722681 GSYVFWAGCMHDNU-IAQYHMDHSA-N 408.908 -0.941 50 20 HBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)CC(N)=O)CCO2 1831615995 OQYXIFRBCITXHH-MKBNYLNASA-N 420.304 -0.262 50 20 HBGD O=C(c1cccc(F)n1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837902043 CPGBHZWFPQIJIC-CXAGYDPISA-N 401.822 -0.110 50 20 HBGD O=C(CCc1cnccn1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840455156 CRMPKQAGDLWOPO-CRAIPNDOSA-N 412.874 -0.535 50 20 HBGD O=C(c1nn[nH]c1C(F)(F)F)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011744 NYWVTACUUMDRGF-UHFFFAOYSA-N 423.160 -0.366 50 20 HBGD COC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)C2 1846365110 AQYCTQVJGOZGQM-LSDHHAIUSA-N 411.890 -0.086 50 20 HBGD CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NNC(=O)c1cc(Br)c[nH]1 728513914 ZJLVQKWMUIVOSN-LLVKDONJSA-N 400.233 -0.335 50 20 HBGD O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 742462965 IWKBHAMNBOMGDV-UXOAXIEHSA-N 402.363 -0.092 50 20 HBGD Cn1c(NNC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)nc2ccccc2c1=O 742672567 MNIHTKYCJQFIST-RRCSTGOVSA-N 411.418 -0.071 50 20 HBGD C[C@H](O)c1cn(CC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)nn1 748618887 ISDBXQDNYRXNOX-ZDUSSCGKSA-N 423.499 -0.589 50 20 HBGD COCCO[C@H](C)C(=O)NNC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 748631686 OGVPNMYORLJQSL-SNVBAGLBSA-N 416.447 -0.367 50 20 HBGD NS(=O)(=O)c1ccc(OCC(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1 749402898 AWUWWMWUQWOVHT-UHFFFAOYSA-N 407.404 -0.055 50 20 HBGD COCCO[C@H](C)C(=O)NNC(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 756146803 WEMWSJAUOLWBNC-SECBINFHSA-N 420.410 -0.318 50 20 HBGD Cc1cc(O)cc(=O)n1CC(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 759905652 UKLCFJYAGVFBTA-HNNXBMFYSA-N 417.374 -0.607 50 20 HBGD CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)NCCOC)cc1 764082774 GCGNJLXYVUDOCM-LLVKDONJSA-N 400.457 -0.257 50 20 HBGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 764400301 PBSAPQXOCIBASU-MGPQQGTHSA-N 423.470 -0.167 50 20 HBGD Cc1cc(NC(=O)C(=O)NNC(=O)Cc2cn3ccccc3n2)ccc1-n1cnnn1 785068635 YHYRGSVBQQXDOG-UHFFFAOYSA-N 419.405 -0.053 50 20 HBGD Cc1ccn(C[C@](C)(O)C(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)c(=O)c1 790689758 OQVYSXDRDKLLDF-FQEVSTJZSA-N 412.402 -0.216 50 20 HBGD Cc1c(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)nnn1Cc1ccccc1F 801806495 JUEIMIQJWJRMPX-VIFPVBQESA-N 413.435 -0.136 50 20 HBGD O=C(CN1C(=O)COc2ccc(Cl)cc21)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919889000 KAPUCBKECVLZFX-JTQLQIEISA-N 416.843 -0.417 50 20 HBGD O=C(NN=C1C(=O)Nc2cc(N3CCOCC3)ccc21)N[C@H]1CCS(=O)(=O)C1 920379370 VIBOMIACZPCANP-NSHDSACASA-N 407.452 -0.334 50 20 HBGD O=C1NC(=O)[C@@H](CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@H](F)Cl)C2)N1 1778022514 OSOGRIGDWRZZTD-CDGODJOISA-N 404.826 -0.367 50 20 HBGD CC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CNC3=O)[C@H]2C1 1784952311 JHJZUHSCNXWAMB-RVMXOQNASA-N 400.863 -0.465 50 20 HBGD Cn1nccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1786077927 PFPMGJLKAIHBIL-ZVZYQTTQSA-N 412.255 -0.993 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccccc1O 1794521929 KRUZZBAYEBRGQN-CCWDJLKJSA-N 410.235 -0.411 50 20 HBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn(C)nc1OC 1794582900 RQYCDCMCRYBWHE-XCCSTKFXSA-N 400.863 -0.114 50 20 HBGD Nc1n[nH]c(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCBr)C3)n1 1797624128 IERVJGOLRYNDQS-WDAIWFPHSA-N 415.292 -0.306 50 20 HBGD COC(OC)C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1831033723 KEAVSVUVWOQBDW-KRWDZBQOSA-N 404.536 -0.087 50 20 HBGD C[C@@H](CC(N)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1831603652 VAIAYURCIKNPRC-BLLLJJGKSA-N 420.304 -0.261 50 20 HBGD O=C1NC[C@@H](C(=O)N2CCC(N3CCC(NC(=O)[C@H](O)CCl)CC3)CC2)O1 1833305917 DUZJGQGZNUBHTA-KGLIPLIRSA-N 402.879 -0.734 50 20 HBGD O=C1NC[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)O1 1834819839 YRDUAMXFGOXSFN-NHYWBVRUSA-N 420.260 -0.664 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCSC(=N)N)CCO2)C1 1835656286 IJTNNYCKAOHPRM-WBMJQRKESA-N 422.935 -0.287 50 20 HBGD CCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835931852 DYKILEKYCRHCLY-OAQYLSRUSA-N 418.299 -0.127 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)C3CCC3)C2)C1 1835935555 UDHHMZIYTVYRPU-HXUWFJFHSA-N 402.256 -0.764 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccccc1)CCO2 1838849753 HNPVJSYPMMPRLZ-QFIPXVFZSA-N 424.262 -0.250 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccn(C)n3)C2)C1 1840152113 XQAFTXUGEUXVOL-QAPCUYQASA-N 414.890 -0.327 50 20 HBGD CS(=O)(=O)N1CCC(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H](O)CCl)CC1 1847558258 AWKHUKDPUZFSJC-MELADBBJSA-N 407.920 -0.541 50 20 HBGD Cn1c(=O)c2c(ncn2CCC(=O)NNC(=O)CCc2ccccc2O)n(C)c1=O 730034247 FISBPNOHTFUZMJ-UHFFFAOYSA-N 414.422 -0.690 50 20 HBGD Cc1ccc(C)c(S(=O)(=O)NCC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 732308273 WKGHPPCJNUUZCN-LBPRGKRZSA-N 403.482 -0.836 50 20 HBGD CCCS(=O)(=O)Nc1cccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 756684549 KKXJJXVHRFLJQT-SNVBAGLBSA-N 421.501 -0.071 50 20 HBGD COC(=O)c1cn([C@H]2CCN(CC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)C2)nn1 760872015 YIOWQCGUKKAAER-ZDUSSCGKSA-N 417.382 -0.319 50 20 HBGD CC(C)CC(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 763888217 HKDJUHGHJKQTSV-UHFFFAOYSA-N 412.468 -0.161 50 20 HBGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1 764434920 SNGDRFCRUSWATA-LBPRGKRZSA-N 408.802 -0.519 50 20 HBGD CCOC(=O)CNC(=O)C1CCN(C(=O)NNC(=O)CNC(=O)c2ccco2)CC1 771978387 LFRWVXDAMYVTKV-UHFFFAOYSA-N 423.426 -0.859 50 20 HBGD CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)COc1ccccc1F 786413721 GTZVWXOMXLLEIA-UHFFFAOYSA-N 407.358 -0.099 50 20 HBGD COc1ccc(C(=O)N2CCC[C@H]2C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 798362786 KUTLTBLJCSRLBC-HIFRSBDPSA-N 409.464 -0.118 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(F)c(N2C(=O)CCC2=O)c1 806744725 IMXSKGOKYNKPCF-MRVPVSSYSA-N 415.403 -0.431 50 20 HBGD Cc1c(Br)cc(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c(=O)n1C 1255867269 FXAFBNSLDQOQEH-MRVPVSSYSA-N 421.273 -0.413 50 20 HBGD O=C(Cn1ccncc1=O)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781333628 IKQQJHBNPBVWKA-UKRRQHHQSA-N 417.235 -0.236 50 20 HBGD CC[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1783349236 KJZJXLAAEVJWRS-BMIGLBTASA-N 401.261 -0.134 50 20 HBGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NNC(=O)C3)[C@H]2C1 1788557805 VXTHYVCFJIBMMT-WDCWCFNPSA-N 401.261 -0.375 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cccc(F)n1 1798069443 NVWKEQPTWZNXIR-ZSBFGKGUSA-N 413.214 -0.583 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)C(=O)N(C)C)[C@@H]1c1cccnc1 1806949390 WTCFUZVVEJIXSA-YJBOKZPZSA-N 418.498 -0.451 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)CCC(N)=O)[C@H]1c1cccnc1 1812633969 MUKWLGMWQJJVOV-MGPUTAFESA-N 418.498 -0.274 50 20 HBGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1nc[nH]n1)CC2)c1cccc(B(O)O)c1 1815355030 ZSIUQBIBXZPRSN-NSHDSACASA-N 412.240 -0.519 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H]2CNC(=O)C2)n[nH]1 1821963026 CEUUFGJLJGMRLL-JSGCOSHPSA-N 419.486 -0.089 50 20 HBGD C[C@H](Cn1cccn1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830726165 XBCVHBYCMJZUNS-VKJFTORMSA-N 414.890 -0.425 50 20 HBGD CC(=O)N[C@@H](C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1)C(C)(C)C 1843013133 NFTWQKOCKCOGGN-KRWDZBQOSA-N 415.299 -0.266 50 20 HBGD CCCC(=O)N[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844264581 JVCBQZCVVGSVAE-ZDUSSCGKSA-N 416.482 -0.193 50 20 HBGD O=C(Cc1ccc(F)cc1)NNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 24063151 VBZNBSXIZWOSBV-ZDUSSCGKSA-N 410.427 -0.319 50 20 HBGD Cn1cc(C(=O)NNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)cn1 735445119 IKAXGZYQQDWEMO-AWEZNQCLSA-N 422.423 -0.057 50 20 HBGD COc1cc(C(=O)NNC(=O)COc2ccccc2O)sc1S(N)(=O)=O 756100215 KLRLRGULZKUEHJ-UHFFFAOYSA-N 401.422 -0.050 50 20 HBGD C[C@@H](CC(=O)NNc1ccc(C(N)=O)nn1)/N=C1/NS(=O)(=O)c2ccccc21 757405415 MPJMEJRFYDKIDA-VIFPVBQESA-N 403.424 -0.464 50 20 HBGD CCOc1cc(Cl)ccc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764229948 GCIBDLMULMHXCG-MRVPVSSYSA-N 406.848 -0.238 50 20 HBGD CC(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1Cl 764233270 UFASKCHMRMSMAR-ZETCQYMHSA-N 404.832 -0.434 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(Oc2ccncc2)c1 764234510 YLLZQUNVXBQMOU-NSHDSACASA-N 421.435 -0.103 50 20 HBGD CNC(=O)Cn1cc(NC(=O)C(=O)NNC(=O)C(F)(F)Oc2ccccc2)cn1 764380407 ZWPZLPYBYLSIIQ-UHFFFAOYSA-N 410.337 -0.613 50 20 HBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CNC(=O)c1c[nH]c2ccccc2c1=O 778437578 GOZXQKNSNVOAAY-UHFFFAOYSA-N 417.422 -0.070 50 20 HBGD CC[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)cc1 783998591 DFTVPMBJPUMQRE-LBPRGKRZSA-N 403.439 -0.077 50 20 HBGD COC(=O)NNC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 792610605 ZWCIFKDWRNXQER-UHFFFAOYSA-N 410.408 -0.038 50 20 HBGD O=C(NCCCNS(=O)(=O)c1ccccc1Cl)NNC(=O)C(=O)NC1CC1 798493889 VPNRFCHHEQEKPS-UHFFFAOYSA-N 417.875 -0.383 50 20 HBGD CN1CCN(C(=O)NNC(=O)[C@@](C)(O)Cn2cc(C(F)(F)F)ccc2=O)CC1 807383598 FQTNQNDYMSHZSD-HNNXBMFYSA-N 405.377 -0.394 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc3ccccc3cc2O)n(C)c1=O 917372026 GPHZEUHUIBWFTF-UHFFFAOYSA-N 422.401 -0.246 50 20 HBGD Cc1c(NC(=O)CSCC(=O)NNC(=O)CO)c(=O)n(-c2ccccc2)n1C 1320376203 CRWIXKOQEAMNDS-UHFFFAOYSA-N 407.452 -0.704 50 20 HBGD C[Si](C)(C)OCC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1ccncc1=O)CCO2 1779298301 CRHDQYZNTTZZMT-SFHVURJKSA-N 408.531 -0.075 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](N)CCC(N)=O)CCO2)C1 1781227592 NECIQJFJGUOOLS-IUIKQTSFSA-N 409.314 -0.355 50 20 HBGD CC[C@@H](NC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1795724394 INRZBMWLZXBJLG-WJYJWUEYSA-N 418.498 -0.292 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)N1CCOCC1 1797803325 INMIAKVJHLFQTN-OLFUQESBSA-N 424.325 -0.537 50 20 HBGD N=C1NCCN1CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Br 1799346689 WIZHBNUEUCGBSE-QCMRWSPLSA-N 406.256 -0.894 50 20 HBGD O=C(Cn1ccncc1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2 1800200015 WWZBBEIUIUJYCE-RDBQEKCUSA-N 417.235 -0.477 50 20 HBGD CC(=O)C[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1800936183 BBVUIYHCEHGYEX-PTOXDTDZSA-N 402.256 -0.815 50 20 HBGD C[C@H](NC=O)C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807367155 QWPYSDPURPVFPG-FNHZYXHNSA-N 424.266 -0.785 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCCC2(CCN(C(=O)[C@H]3C[C@@H](O)C3)CC2)C1 1809971889 BEBNCDDMDMKRTM-MAEOIBBWSA-N 400.284 -0.018 50 20 HBGD O=C(CCc1cnc[nH]1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830725197 GZODVYHISMQUBG-YOEHRIQHSA-N 400.863 -0.602 50 20 HBGD CCn1nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc1C 1830732609 ULYMKLFJNBOCED-MAUKXSAKSA-N 414.890 -0.119 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCCN3C)CCO2)C1 1832066203 BCOYNEXHXXWBKR-VKJFTORMSA-N 403.907 -0.209 50 20 HBGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)nn1C 1834115149 JWVNNOQSRZFZDZ-PBHICJAKSA-N 400.863 -0.602 50 20 HBGD CC[C@@H](NC)C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1834793835 GBEQFVZRNLIQKJ-GOSISDBHSA-N 424.590 -0.071 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@@H]3F)C2)C1 1837455635 BICNYXJSUODIBF-FRIZHTMISA-N 421.429 -0.887 50 20 HBGD C[C@@H](CC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837710091 HRFBTOQMPOZMGO-KBXCAEBGSA-N 415.563 -0.194 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncnn3C)C2)C1 1840150032 DYWIWOGTQONSSS-LRDDRELGSA-N 401.851 -0.861 50 20 HBGD COC(=O)NCC(=O)N1CC2(CCCN2C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C1 1843416984 KZJKYHWHOOLGFR-CIAFOILYSA-N 404.427 -0.320 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CN2CCSC2=O)cc1 15431097 DWZSKRNYLZUSCA-UHFFFAOYSA-N 400.482 -0.068 50 20 HBGD COc1ccc(OCC(=O)NNC(=O)NCCS(=O)(=O)N2CCOCC2)cc1 52303198 FHVYKNARFXIWDQ-UHFFFAOYSA-N 416.456 -0.934 50 20 HBGD O=C1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)Cc3cccnc3)cc2)CCN1 728851279 VTTVYWFLAGFNFF-UHFFFAOYSA-N 417.447 -0.794 50 20 HBGD O=C(NC[C@H]1CN2CCC[C@H]2CO1)NNC(=O)c1csc(N2CCOCC2)n1 729493949 GHFANXKIFIXTRZ-STQMWFEESA-N 410.500 -0.213 50 20 HBGD O=C(Cn1ccc2ccccc21)NNC(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 729507043 CTWDXJYEJXAFOV-CQSZACIVSA-N 421.479 -0.335 50 20 HBGD CC(C)NC(=O)C(=O)NNC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCCO2 741207580 GYVIOZDKXOBHNE-UHFFFAOYSA-N 413.452 -0.316 50 20 HBGD CC(C)(C)OC(=O)N1CC[C@](F)(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 748530734 ZSQBCUOMFBGOOH-MEBBXXQBSA-N 408.452 -0.147 50 20 HBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)Nc1ccccc1CN1C(=O)CCC1=O 756221922 SRNJLBXWXUOYGZ-LBPRGKRZSA-N 408.436 -0.077 50 20 HBGD CC(C)(O)C(=O)NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 768243346 CVIUWKSPTOEYEL-LLVKDONJSA-N 414.440 -0.086 50 20 HBGD CSCCNC(=S)NNC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 770239214 IKJSTPKCISEMCR-UHFFFAOYSA-N 401.539 -0.074 50 20 HBGD Cn1cc(S(=O)(=O)NNC(=O)N2CCOCC2)cc1C(=O)NCC(F)(F)F 775672722 KMOHUCDVPLCALF-UHFFFAOYSA-N 413.378 -0.448 50 20 HBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 778437515 FOBPHADGXKJWSP-UHFFFAOYSA-N 411.440 -0.603 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)N[C@@H]1CCCN(c2cccnc2)C1=O 784261857 BUINHXHUUSUAIO-CYBMUJFWSA-N 400.395 -0.070 50 20 HBGD CCOC(=O)CON=C(C(=O)NNC(=O)c1ccc2c(c1)OCCO2)c1cc[nH]n1 789949553 KPPWCOOLGGYNLT-UHFFFAOYSA-N 417.378 -0.074 50 20 HBGD CCN1CCC[C@@H]1CN1C[C@H](C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)CC1=O 792855708 SCIWOWAIRCXNIG-OAGGEKHMSA-N 400.545 -0.189 50 20 HBGD CNC(=O)CCCNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 918236266 ZNGCZJDAIGXMPP-UHFFFAOYSA-N 413.504 -0.830 50 20 HBGD COC(=O)c1c(C)oc(C)c1S(=O)(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919960722 CWOWFUXXRFUZJR-VIFPVBQESA-N 409.442 -0.637 50 20 HBGD Cn1c(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc(Br)c1C=O 1318914538 ZQQUOOJLJRFPEB-SSDOTTSWSA-N 407.246 -0.269 50 20 HBGD O=C(NNC(=O)c1cc(N2CCOC2=O)ccc1F)N[C@@H]1CCS(=O)(=O)C1 1319068308 XPSQEUYODMXHJG-SECBINFHSA-N 400.388 -0.087 50 20 HBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)c1cn[nH]c1 1778212224 XVLPASJKBUGZGB-YLJYHZDGSA-N 412.255 -0.469 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3cccnc3C(N)=O)CCO2)C1 1783874142 ZDXYLXHZASIITG-FZKQIMNGSA-N 410.858 -0.122 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccnc3)[C@H]2C1 1785945754 AVYMIRIGTUTRGB-WBAXXEDZSA-N 424.461 -0.013 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)C(Cl)Cl 1791294221 LATYFJWHDCZRJN-UBHSHLNASA-N 415.082 -0.237 50 20 HBGD CC1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)CC1 1793202727 AMNBDAXONTZBOB-UPHUGPLXSA-N 423.558 -0.319 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)c1ccccc1 1795381329 WIODRFLUKJUGCI-JSJNYSNDSA-N 418.494 -0.317 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1cc2cccnn2n1 1796188862 VGZVZXXIRPFTCK-BJWYYQGGSA-N 419.250 -0.025 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CCC(=O)N1)C2 1798439352 WUXVDNMWCGFKRH-NWJSVONSSA-N 400.439 -0.785 50 20 HBGD C[C@](O)(CC(=O)O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1802324207 IUWOBMRFWSTIOU-UIVXKWKOSA-N 418.255 -0.766 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)CNC(N)=O)[C@H]1c1cccnc1 1814229809 DPPWGBCOURCHCG-KBXCAEBGSA-N 419.486 -0.871 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCCC3)CCO2)C1 1829880336 WHPKIEQRDIXHOS-QAPCUYQASA-N 403.907 -0.208 50 20 HBGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cncn1)CCO2 1836134406 RTPXQQQKMPBAOX-OAHLLOKOSA-N 416.276 -0.481 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](COC)NC(C)=O)C2)C1 1839145500 JVVOBXZZUOVFQA-MPGHIAIKSA-N 419.906 -0.389 50 20 HBGD O=C(c1nc[nH]n1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839198708 ANUKFFGENHRVJD-ZANVPECISA-N 406.212 -0.435 50 20 HBGD Cc1nccn1[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840488838 AYMZJUGHEMQQFO-QIIPPGSGSA-N 414.890 -0.191 50 20 HBGD CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NNC(=O)CNC(=O)c1ccco1 726277117 IPMJLZUTTUYAGT-CYBMUJFWSA-N 408.459 -0.718 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CCCOc1ccc(S(C)(=O)=O)cc1 729276892 NNMMTAAVEJKSCJ-LLVKDONJSA-N 421.497 -0.666 50 20 HBGD O=C(COC(=O)C1(C(=O)NC2CC2)CCC1)NNC(=O)[C@@H]1COc2ccccc2O1 729740247 FWNUSMLXHSGURO-HNNXBMFYSA-N 417.418 -0.034 50 20 HBGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1ccc(-n2cncn2)cc1 730571850 UXVRYPDFNRZTKJ-UHFFFAOYSA-N 414.451 -0.308 50 20 HBGD Cc1nn(C)c(C)c1S(=O)(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 731050398 JKPUVJDMSXLTMC-UHFFFAOYSA-N 415.497 -0.089 50 20 HBGD CN(CC(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)c1ncnc2[nH]cnc12 734241120 DMQMUSMXVQWTGT-UHFFFAOYSA-N 407.435 -0.356 50 20 HBGD CCc1sc(C(=O)NNC(=O)COC(=O)CN2CCN(CC)C(=O)C2=O)cc1C 736785272 UWZJOJPIBFZNPT-UHFFFAOYSA-N 424.479 -0.386 50 20 HBGD CC[C@H]1CN(CC(=O)NNC(=O)C2CC2)[C@@H](CC)CN1CC(=O)NNC(=O)C1CC1 740878376 BZGOWUQVIHXPLN-HOTGVXAUSA-N 422.530 -0.724 50 20 HBGD COCCOC[C@H](C)NC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 745863880 JNSMHWFSNBVLLC-AWEZNQCLSA-N 416.500 -0.003 50 20 HBGD COCCNS(=O)(=O)c1c[nH]c(C(=O)NNC(=O)COc2ccccc2F)c1 746094618 NLPQLXQWMIPRNK-UHFFFAOYSA-N 414.415 -0.082 50 20 HBGD C[C@H](CS(C)(=O)=O)C(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 746862972 SBTAQILNLJFEGA-GFCCVEGCSA-N 405.498 -0.169 50 20 HBGD CCn1nc(C(=O)NNC(=O)c2ccc(S(N)(=O)=O)nc2)c2ccccc2c1=O 762735692 CDPKLMMAQJYQDY-UHFFFAOYSA-N 416.419 -0.466 50 20 HBGD CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)Cn2nc(C)cc2C)c1 763885778 NTSCGVJRSNANBP-UHFFFAOYSA-N 422.467 -0.497 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccn(C3CCCC3)n2)n(C)c1=O 766645350 SRWCTUKEASSWOQ-UHFFFAOYSA-N 414.426 -0.794 50 20 HBGD CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NNc1nc(O)c2cnn(C)c2n1 770371000 LRVLKFFRQVXXGH-GFCCVEGCSA-N 405.463 -0.362 50 20 HBGD O=C(NNC(=O)[C@H]1CC(c2c(F)cccc2F)=NO1)N[C@H]1CCS(=O)(=O)C1 785951288 SDTBKNNVPJQWJQ-QPUJVOFHSA-N 402.379 -0.025 50 20 HBGD CC(=NNC(=O)C[C@@H](C(=O)NN=C(C)c1ncc[nH]1)N1CCOCC1)c1ncc[nH]1 790167614 IKUMRHIFBHAADB-AWEZNQCLSA-N 415.458 -0.396 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCC3=CCCOC3)nc2)CC1 807593346 JQVFFXQMRDKEHU-UHFFFAOYSA-N 410.500 -0.010 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2ccc(C#N)c(F)c2)n(C)c1=O 810249737 DBNTYGSNVWTVNO-UHFFFAOYSA-N 414.357 -0.703 50 20 HBGD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NNC(=O)[C@@H]1CCc2nncn2C1 816881645 LVERTFSESBGGAV-MNOVXSKESA-N 405.419 -0.171 50 20 HBGD COCCCNC(=O)NNS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1 920832887 LLRVMXBTDGBINH-UHFFFAOYSA-N 400.457 -0.312 50 20 HBGD CCN1CCOC[C@@H]1C(=O)NNC(=O)CN1CCN(Cc2ccc(C)cc2)CC1 1120697971 DEGLIWWHZATSAI-LJQANCHMSA-N 403.527 -0.019 50 20 HBGD COC(=O)C12CC(C(=O)N3CC[C@]4(CN(C(=O)[C@@H](O)CCl)CCO4)C3)(C1)C2 1783440842 HJANLZPWURBMJI-QGOKIACBSA-N 400.859 -0.241 50 20 HBGD CC[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1783961565 ZDSVQEGZFSHCLT-DDWPSWQVSA-N 405.455 -0.951 50 20 HBGD CCOCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786982117 NDVWNQNDBRPNCP-SZMVWBNQSA-N 404.272 -0.614 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCC(O)CC1 1801135942 ARCMZOOHGCZIFW-KZKGMGBFSA-N 410.515 -0.500 50 20 HBGD CN(C)CC(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815339996 ZQJNGDBLUJAOLZ-ZDUSSCGKSA-N 402.285 -0.390 50 20 HBGD CCn1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)n1 1830726136 WARLOPYWQSAEAE-WMLDXEAASA-N 400.863 -0.427 50 20 HBGD O=C(Cc1ccccc1O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830735248 DXHRMPFCMXWEII-VQIMIIECSA-N 412.870 -0.009 50 20 HBGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1 1834821196 AYSPYCHESIDOSL-DVOMOZLQSA-N 405.289 -0.001 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NC(C)=O)CCO2 1839881339 TUAURXZFYQDRQH-IFIJOSMWSA-N 405.879 -0.779 50 20 HBGD COc1ccc(NC(=S)NNC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)cn1 729692896 XLJXNNTVJFDFKX-UHFFFAOYSA-N 415.435 -0.333 50 20 HBGD O=C(COC(=O)c1ccnc(-n2cncn2)c1)NNC(=O)[C@H]1COc2ccccc2O1 738626867 IYCGOMOGQUWYRI-OAHLLOKOSA-N 424.373 -0.194 50 20 HBGD Cc1ccc(C(=O)NNC(=O)N2CCOCC2)cc1S(=O)(=O)N1CCOCC1 745993212 ZWEULFWEHYVULF-UHFFFAOYSA-N 412.468 -0.297 50 20 HBGD CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NNC(=O)Cc2ccncc2)c1 747326733 VQYBUVXSKBFLBJ-UHFFFAOYSA-N 421.479 -0.336 50 20 HBGD CCOC(=O)CNC(=O)C1CCN(CC(=O)NNC(=O)c2ccc(C#N)cc2)CC1 749465733 IQGUKAAPXIQLHO-UHFFFAOYSA-N 415.450 -0.289 50 20 HBGD Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)NNC(=O)NCc1ccco1 749910009 XGUFWLNIQFSFTI-UHFFFAOYSA-N 410.398 -0.012 50 20 HBGD CCS(=O)(=O)N[C@H](CCSC)C(=O)NNC(=O)CNC(=O)c1ccco1 751205008 VDRLWRQYFDUWDI-SNVBAGLBSA-N 406.486 -0.782 50 20 HBGD Cc1csc(CC(=O)NNC(=O)COC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)n1 758506649 LXZPPXKPRCNQFE-TXEJJXNPSA-N 422.463 -0.140 50 20 HBGD CN(NC(=O)CN1CCCS1(=O)=O)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 758787758 VQDIRIYDXHNMBW-UHFFFAOYSA-N 419.504 -0.342 50 20 HBGD COC(=O)c1cn([C@H]2CCCN(CC(=O)NNC(=O)Cc3nc(C)cs3)C2)nn1 762624325 QFKRCPPXKOTCRX-LBPRGKRZSA-N 421.483 -0.143 50 20 HBGD O=C(CCOc1ccccc1)NNC(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 764166499 MAMHGCJGWDVACF-UHFFFAOYSA-N 414.422 -0.283 50 20 HBGD CN(C)CCOc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)cc1Cl 764436056 ZGYSYNVVMBYFGY-AWEZNQCLSA-N 414.846 -0.218 50 20 HBGD COCCN1CCN(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CC1=O 768725214 KGCULLADYMPLDQ-UHFFFAOYSA-N 405.459 -0.776 50 20 HBGD O=C(NCC(=O)N1CCN(S(=O)(=O)CBr)CC1)NCc1ccco1 777831538 BXPGSEOPGQFASU-UHFFFAOYSA-N 423.289 -0.095 50 20 HBGD CCOCCCn1c(NNC(=O)Cn2ncn(C)c2=O)nc2ccccc2c1=O 778742826 MXEXZGFSOQYHQK-UHFFFAOYSA-N 401.427 -0.138 50 20 HBGD COC(=O)NNC(=O)C(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 786413017 YGUPLEQZKCYJJT-UHFFFAOYSA-N 423.430 -0.141 50 20 HBGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 792849702 KWLZOOLVYAMRIJ-DGCLKSJQSA-N 421.545 -0.804 50 20 HBGD O=C(NNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)Nc1ccc2c(c1)OCO2 802107302 PRBHLCRFEDTJDE-CYBMUJFWSA-N 419.438 -0.251 50 20 HBGD CNS(=O)(=O)c1cc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)ccc1F 806544481 HKHHCFMHRULBSW-QMMMGPOBSA-N 408.433 -0.679 50 20 HBGD COc1ccc2cc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)ccc2c1 806978208 QVVMJOCUPDRVIK-JTQLQIEISA-N 408.436 -0.128 50 20 HBGD Cn1c(=O)c2ccc(C(=O)NNC(=O)COc3ccc(F)cc3)nc2n(C)c1=O 914333784 SKWFDEZANFTPTJ-UHFFFAOYSA-N 401.354 -0.389 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3cncnc3)CCO2)C1 1779030786 IDLFQSWGWCHSIB-IBGZPJMESA-N 411.422 -0.768 50 20 HBGD CN1CCN(CC(=O)N2CCO[C@]3(CCN(C(=O)CO[Si](C)(C)C)C3)C2)CC1 1779297048 PPCQRJSWVZFQLX-IBGZPJMESA-N 412.607 -0.085 50 20 HBGD CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783935448 TWZXUGGVFYPXNG-KXBFYZLASA-N 411.503 -0.010 50 20 HBGD CNc1nsnc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784084658 ZJYAJZNJOKAUTI-MMWGEVLESA-N 403.892 -0.227 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)C1=COCC1 1791781778 DSXACUDKKBEPSC-WBAXXEDZSA-N 400.240 -0.736 50 20 HBGD COCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1792840031 FDBPRUDMTGBRSN-FVCICTRLSA-N 405.455 -0.685 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccco1)C2)c1cccc(B(O)O)c1 1795737234 ILEVXKYIQHTJMM-DFBIAFCQSA-N 410.235 -0.124 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H]1CCCCO1)C2)c1cccc(B(O)O)c1 1795737302 QPGCIMWEJORJRX-WQDJSCAQSA-N 416.283 -0.471 50 20 HBGD CNC(=O)CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817470481 SCNMLXYSRONIHV-HNNXBMFYSA-N 413.243 -0.469 50 20 HBGD COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)n(C)n1 1830724284 DYIGUWVPPDWHEX-DYVFJYSZSA-N 416.862 -0.902 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835931652 VWQRHVWPRJVKDY-VQIMIIECSA-N 424.690 -0.546 50 20 HBGD CN(C)CC(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1837689596 CQOAQAKXSJBOOU-UHFFFAOYSA-N 411.547 -0.080 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCN(C)CC3)C2)C1 1839145970 SBWUAIBTICJYQC-QFBILLFUSA-N 416.950 -0.292 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1839148969 PFHKYXWJCCYWOB-FZKQIMNGSA-N 413.858 -0.615 50 20 HBGD COCCCNC(=O)[C@H](C)N1CCN(CC(=O)NNC(=O)c2ccccc2)CC1 728932826 REUYEBMLBRVWCD-INIZCTEOSA-N 405.499 -0.394 50 20 HBGD C[C@H](C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 744349999 PDFFVQXYYGZRMP-ZPTNNJSTSA-N 402.363 -0.093 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNS(=O)(=O)CCOC(C)C)cc1 748791398 SHWHKPXIURWUDL-UHFFFAOYSA-N 407.514 -0.009 50 20 HBGD O=C(NNc1ccc(C(F)(F)F)nn1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 755194556 RJNJXDIITYJLED-DTWKUNHWSA-N 407.374 -0.026 50 20 HBGD COc1cc(C(=O)N(C)C)ccc1NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 756869028 NVMIHVJKMYERJG-VIFPVBQESA-N 401.445 -0.513 50 20 HBGD CN(NC(=O)CN(C)S(C)(=O)=O)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 758787796 WCSYFMLCZNMAMV-UHFFFAOYSA-N 407.493 -0.487 50 20 HBGD C[C@@H]1CN(c2ccc(NC(=O)C(=O)NNC(=O)[C@H]3COCCO3)cc2F)C[C@@H](C)O1 764432505 ICWSDXMLOWLXCX-XHBSWPGZSA-N 424.429 -0.059 50 20 HBGD COc1cc(C)sc1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 766638142 YCKDDQHQKHZQNL-UHFFFAOYSA-N 406.424 -0.727 50 20 HBGD COC(=O)C1(c2ccc(S(=O)(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)cc2)CC1 776271226 JBTMGKTXEOVWEF-LLVKDONJSA-N 416.477 -0.365 50 20 HBGD CN1CC(=O)N(CC(=O)NN(C)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1=O 783703877 IBSIQXLOERERKE-UHFFFAOYSA-N 412.447 -0.484 50 20 HBGD CCn1cc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)ccc1=O 797369428 WFUBGJJNQXNNIJ-UHFFFAOYSA-N 415.406 -0.120 50 20 HBGD CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1 804867740 JZOCNGWRHZZKII-CQSZACIVSA-N 422.471 -0.628 50 20 HBGD C[C@H]1CCCN(C(=O)C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)C1 805564116 FLRGRTATOMQISV-SWLSCSKDSA-N 405.407 -0.225 50 20 HBGD C[C@@H](CC(=O)NNC(=O)N1CCN(C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 807382400 BLYUOIPHOYOKRQ-LBPRGKRZSA-N 408.484 -0.508 50 20 HBGD CC1(C)NC(=O)N(CCCNC(=O)NNC(=O)[C@H]2COc3ccccc3O2)C1=O 1340547608 DYYZXYFCCWTSMT-CYBMUJFWSA-N 405.411 -0.123 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1779097239 PATKVDZBGFNCDL-COXVUDFISA-N 424.325 -0.297 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1ccc(O)cn1)CCO2 1783937080 FRPGFICFLCQMDS-HXUWFJFHSA-N 419.482 -0.467 50 20 HBGD Cc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)on1 1785093613 RIXFHJOPZRBZER-XIRDDKMYSA-N 421.498 -0.122 50 20 HBGD COCCn1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)CCl)C[C@@H]32)n1 1787635436 JZKGSXPNWLWHMA-UGQVUOCMSA-N 414.890 -0.278 50 20 HBGD CN[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](Cl)COC)[C@H]2C1)C(=O)O 1791251632 OHLFRRUDQXDWJG-PEDHHIEDSA-N 405.879 -0.717 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cscn1)C2)c1ccc(B(O)O)cc1 1795732467 IUNNEWDOJQMXLF-YWVIFJGQSA-N 401.253 -0.660 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1)C2)c1cccc(B(O)O)c1 1795737540 SNUGURYGACQWTH-UPHUGPLXSA-N 424.262 -0.351 50 20 HBGD C[C@H](CN)C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807370359 BJPRQAHNFDWJSH-LJHODMEESA-N 410.283 -0.324 50 20 HBGD Cn1nncc1C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809975102 SXFXMRATMULSQQ-UHFFFAOYSA-N 411.271 -0.347 50 20 HBGD O=C(c1ccn(C(F)F)n1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830732777 VUSHUUZSGOCIGY-BLLLJJGKSA-N 422.816 -0.052 50 20 HBGD O=C(Cn1cncn1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1836138145 ZDISUJKCDMNKFG-JSGCOSHPSA-N 420.239 -0.575 50 20 HBGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(N)=O)CCO2)C1 1840918440 XAASSBLLAJEXSD-XHDPSFHLSA-N 421.292 -0.858 50 20 HBGD C[C@@H](C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1)n1ccccc1=O 1844264516 APRFXHXFRORNET-AWEZNQCLSA-N 424.461 -0.075 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CCCNC(=O)c1ccc(Cl)cc1 729276113 XERLVJOAMPXFBO-JTQLQIEISA-N 404.876 -0.065 50 20 HBGD Cc1nonc1C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 733909588 VJBFYBJRCFXKLH-UHFFFAOYSA-N 423.451 -0.207 50 20 HBGD CC(=O)N1CCCc2ccc(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc21 736062265 APEFHRADVAMDKK-JTQLQIEISA-N 418.497 -0.767 50 20 HBGD NC(=O)COc1cccc(CNC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 745899576 NSUZXFHHUYDZTQ-UHFFFAOYSA-N 410.394 -0.329 50 20 HBGD C[C@]1(c2ccc(C(=O)NNC(=O)CNC(=O)c3cccs3)cc2)NC(=O)NC1=O 748534441 GRSGVVOYNFJHGB-GOSISDBHSA-N 415.431 -0.006 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(C2CCCC2)nn1C 764228280 WZWACNQRCRVUJF-VIFPVBQESA-N 400.461 -0.899 50 20 HBGD C[C@H](Oc1cccc(F)c1)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765726176 ZNXZOZLVMHWABT-JTQLQIEISA-N 418.385 -0.812 50 20 HBGD Cn1cc([N+](=O)[O-])c(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)n1 772921663 RGRBIKDYRYUCGG-UHFFFAOYSA-N 415.410 -0.453 50 20 HBGD COc1ccc(Br)c(C(=O)NNC(=O)NCCN2CCNC(=O)C2)c1 781402254 XOOWFYMMPSQPEE-UHFFFAOYSA-N 414.260 -0.167 50 20 HBGD CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)NNC(=O)Cc1cn2ccccc2n1 787881775 MYKSTCKMXWLEKK-VXGBXAGGSA-N 404.427 -0.337 50 20 HBGD C[C@@H](Cn1cccn1)NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 916464754 XVYXKEZVSSYDEG-AWEZNQCLSA-N 422.515 -0.071 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cncc(O)c3)C2)C1 1783622429 GKOXPCDPPYAKIG-LJQANCHMSA-N 405.455 -0.396 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3nc4ncccn4n3)CCO2)C1 1783874555 IPFPZQMNSWCQOC-SJKOYZFVSA-N 408.846 -0.178 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3csc(N)n3)C[C@@H]21 1791289335 UKUVXCNRLAWDFD-OBJOEFQTSA-N 424.527 -0.308 50 20 HBGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CNC(=O)O1)C2 1792868491 BMFWKVYWJPMOJQ-SVNGYHJRSA-N 404.261 -0.285 50 20 HBGD COc1nn(C)cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1794582690 KVWLUAOMGQKFRY-FVCICTRLSA-N 422.486 -0.995 50 20 HBGD CN(CC(=O)N1CCC2(CCCN(C(=O)[C@@H](O)CCl)C2)CC1)C(=O)C(=O)O 1805525826 GCLIEJAENBNKKA-LBPRGKRZSA-N 403.863 -0.640 50 20 HBGD CN(C)CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1812870855 DQHRIEIMCCAXLX-ZDUSSCGKSA-N 402.285 -0.390 50 20 HBGD O=C([C@H](O)CCl)N1CCC([C@H]2CCCCN2C(=O)[C@H](O)N2CCOCC2)CC1 1828963550 DPTFYEHRCPCDFY-NUJGCVRESA-N 417.934 -0.144 50 20 HBGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CC[C@@H](N)C(N)=O)C2)C1 1831646573 MSGAXXGEXYSXFN-IYOUNJFTSA-N 418.922 -0.557 50 20 HBGD O=C1CC[C@H](C(=O)N2CCC(N3CCC(NC(=O)[C@@H](O)CCl)CC3)CC2)N1 1833309446 VJRMIYWYMHCXTO-CABCVRRESA-N 400.907 -0.564 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)OC)CCO2)C1 1834857153 SBXPSRGBSDMPFG-CXAGYDPISA-N 406.863 -0.350 50 20 HBGD CC(=O)C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835737007 QYUVKJJAOJDYOH-UHFFFAOYSA-N 416.482 -0.541 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(N)=O)C2)C1 1839156546 SSRJVPTWJOCRKZ-LSDHHAIUSA-N 411.286 -0.653 50 20 HBGD CCOC(=O)NCCC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 46659874 FVNNAOOGPMAYLT-UHFFFAOYSA-N 400.457 -0.101 50 20 HBGD Cn1cc(N2CC[C@H](NC(=O)NNC(=O)c3ccc4c(c3)OCCO4)C2=O)cn1 735583852 IJJKHZSEURFOED-ZDUSSCGKSA-N 400.395 -0.059 50 20 HBGD C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)NN[C@]1(C)CCS(=O)(=O)C1 735586127 KZOBPORVTRNRJY-CRAIPNDOSA-N 410.544 -0.027 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2c(F)cccc2F)n(C)c1=O 755376147 XOGFCHMDIRNMRG-UHFFFAOYSA-N 407.337 -0.435 50 20 HBGD CCOCC(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)N[C@H](C)CC)c1 764325042 BCHATRXOINIWHV-LLVKDONJSA-N 400.457 -0.114 50 20 HBGD O=C(CC(=O)OCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)NCC(F)(F)F 764579569 RTTBVWQCQBMZNQ-UHFFFAOYSA-N 406.273 -0.032 50 20 HBGD Cc1nc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3ccccc3)CC2)cn1C 767096186 HCRYDWCTLMLKFP-UHFFFAOYSA-N 420.495 -0.504 50 20 HBGD O=C1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)N=c3cc[nH]cc3)cc2)CCN1 802027509 JUFGWKYSSUUKEC-UHFFFAOYSA-N 418.435 -0.910 50 20 HBGD CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)NNC(=O)CNC(=O)c2ccco2)C1 805043126 DQVCPKGRWNXQJP-LLVKDONJSA-N 401.445 -0.894 50 20 HBGD CCCn1nc(C(=O)NNC(=O)CN2CCS(=O)(=O)CC2)c2ccccc2c1=O 916728199 KLBZPYNFNGQWGU-UHFFFAOYSA-N 421.479 -0.702 50 20 HBGD Cc1cnn(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 917528290 ATSZLAPOQPQBJV-UHFFFAOYSA-N 407.452 -0.326 50 20 HBGD CS(=O)(=O)c1cc(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)ccc1Cl 1317963246 OBZRTIXBYPFEGA-VIFPVBQESA-N 409.873 -0.125 50 20 HBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NC[C@H](C)S(C)(=O)=O 1319686783 PUXOOCKQDCRXHN-VIFPVBQESA-N 405.502 -0.335 50 20 HBGD COc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)nn1C 1784092592 KQYNBNMSSQLKLD-IMIFBBOLSA-N 400.863 -0.378 50 20 HBGD N=C1NCCN1CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1786843796 QSYULAXCNZKEOB-ZPFDUUQYSA-N 420.283 -0.503 50 20 HBGD Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)nc1 1786979435 IQWPLFLIHSIMIM-QRFRQXIXSA-N 423.278 -0.023 50 20 HBGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@H](O)CN3)[C@H]2C1 1789766374 YRMZNNJMILWIAG-LHEWDLALSA-N 404.305 -0.528 50 20 HBGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCNC1=N 1795577938 ZGJQHIJASDMJLN-NRWUCQMLSA-N 416.320 -0.553 50 20 HBGD CC[C@@H](NC(N)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798440240 IKHKXKOJBUODLW-NWJSVONSSA-N 417.470 -0.616 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNC(N)=O 1804476594 QLDAZFPTOMSQQU-YOADBGGHSA-N 403.443 -0.573 50 20 HBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)[nH]n1)[C@@H](O)CCl 1814867120 GBCXOWLBJMCWPI-MNOVXSKESA-N 412.834 -0.447 50 20 HBGD CC[C@H](O)C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815335692 KRYDUXCDZRSGLI-JSGCOSHPSA-N 403.269 -0.180 50 20 HBGD O=C1C[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)CN1 1834824790 MMSAIIQRIRCHAG-MLGOLLRUSA-N 418.288 -0.636 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)C1 1835124528 HOBYJTJXCXRBHS-VUCTXSBTSA-N 422.309 -0.042 50 20 HBGD CC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](Cl)COC)CCO2)C1 1840149408 OFMZPBXABASTPZ-RLFYNMQTSA-N 419.906 -0.389 50 20 HBGD CC(C)CC(=O)NNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 24608878 NBALXOYSAFRISQ-CQSZACIVSA-N 419.525 -0.038 50 20 HBGD C[C@@H](CN1CCOCC1)C(=O)NNC(=S)NCc1ccc(S(N)(=O)=O)cc1 726439881 AGYNGLZBXNQSIV-LBPRGKRZSA-N 415.541 -0.702 50 20 HBGD CCOc1ccccc1N1C[C@H](C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)CC1=O 729276547 GMFIVCAEZRMTEV-VXGBXAGGSA-N 412.468 -0.477 50 20 HBGD O=C(NNC(=O)c1cnn[nH]1)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 729457855 YKYDJPOLKTZEMP-JTQLQIEISA-N 420.407 -0.797 50 20 HBGD Cc1cc(C(=O)NNC(=O)COc2ccc(F)cc2)nc2c1c(=O)n(C)c(=O)n2C 737765274 DCZFSIJQXDTADO-UHFFFAOYSA-N 415.381 -0.080 50 20 HBGD NC(=O)CS(=O)(=O)c1ccc(C(=O)NNC(=O)COCc2ccccc2)cc1 742696203 XTYDPXFZNYHQSE-UHFFFAOYSA-N 405.432 -0.077 50 20 HBGD CCN1CCO[C@H](C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 746097224 XIWZODVRTTURBF-INIZCTEOSA-N 410.496 -0.047 50 20 HBGD Cn1cc(N2CCN(C(=O)NNC(=O)CNC(=O)c3cccs3)CC2=O)cn1 750277427 WBWJTBNYBZSBBL-UHFFFAOYSA-N 405.440 -0.699 50 20 HBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1cnc2[nH]nnc2c1 755518871 ZLEGECNAGRIHCX-UHFFFAOYSA-N 408.422 -0.428 50 20 HBGD C[C@H]1CN(CCC(=O)NNC(=O)c2coc(S(=O)(=O)N(C)C)c2)C[C@@H](C)O1 756743647 AXAJFGNZXFWKIP-TXEJJXNPSA-N 402.473 -0.210 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CCn1c(S)nc2ccccc2c1=O 758056105 RMCXRUSDDJAMQS-VIFPVBQESA-N 413.481 -0.840 50 20 HBGD CN(C)c1ccc(Cl)cc1NC(=O)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 764002262 KYMWKXAHNDITJK-VIFPVBQESA-N 402.860 -0.073 50 20 HBGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c2cccnc12 764226225 GNYYFVMTTZMEPO-SECBINFHSA-N 409.424 -0.733 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(CC(F)(F)F)c1 764226405 IGMQZLXEGRUOJL-MRVPVSSYSA-N 410.374 -0.185 50 20 HBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1C(=O)OC 764325946 BNNBOBAEFNQQSR-UHFFFAOYSA-N 408.411 -0.568 50 20 HBGD CCNS(=O)(=O)c1cccc(C(=O)NNC(=O)CNC(=O)c2cccnc2)c1 764343623 XCFRPMVAVDIGQL-UHFFFAOYSA-N 405.436 -0.429 50 20 HBGD COC(=O)c1ccc(C(C)=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 767791575 UQWBTSBWYWWKFH-UHFFFAOYSA-N 412.406 -0.239 50 20 HBGD CC(C)(O)CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 776267126 YJSIFCBUCCNOSN-UHFFFAOYSA-N 414.484 -0.188 50 20 HBGD CC(=O)N(c1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)cc1)[C@@H]1C[C@H]1C 815570956 PXTKHPSJXKYRGJ-LYRGGWFBSA-N 404.423 -0.051 50 20 HBGD O=C(COC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)NNC(=O)c1ccccc1 914651017 AYNLKEXAOFRDGE-KBPBESRZSA-N 423.447 -0.974 50 20 HBGD O=C(COc1cccc(NC(=O)C2CC2)c1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919886774 USZDRVLAGXNEBW-CYBMUJFWSA-N 410.452 -0.069 50 20 HBGD COc1cc(C)c(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1OC 919961088 RLUHTTHFPCTKOJ-JTQLQIEISA-N 407.470 -0.308 50 20 HBGD O=C(NNc1ccc(-n2ccnc2)nn1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 1324423053 SJPFIIROQDHYHU-NEPJUHHUSA-N 405.440 -0.859 50 20 HBGD CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3CC[C@@H](B(O)O)C3)c2)CC1 1331828786 ZLIYYLGCJMEGHL-OAHLLOKOSA-N 409.273 -0.772 50 20 HBGD NC(=O)CC[C@H](N)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781330421 AJHOBKSALNLLRG-PXWWUCIGSA-N 409.256 -0.900 50 20 HBGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CNC(=O)C1)C2 1782179233 IRLJFBDFYZHVEN-UYAYXHRUSA-N 401.891 -0.110 50 20 HBGD CC[S@](=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783934392 GGXPWIVDGFKVHX-JMQGSBJISA-N 416.544 -0.652 50 20 HBGD CC[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788607865 PTBUAGTZHLGOIJ-KSYCFECVSA-N 405.455 -0.951 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@@]1(F)Cl)C2)c1cccc(B(O)O)c1 1795740771 KYMBRUIHLPTYFT-SIAFSPRGSA-N 410.638 -0.506 50 20 HBGD Cc1nccn1[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830737309 HANHKZMRDMMQJB-DDUZABMNSA-N 414.890 -0.191 50 20 HBGD O=C(CC1CCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835934429 SAIOSQDEPUGKQH-OAQYLSRUSA-N 416.283 -0.373 50 20 HBGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)COCCO)CCO2)C1 1839191743 DTXXRNJOAIRMFH-CJNGLKHVSA-N 423.304 -0.517 50 20 HBGD CCOC(CC(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1)OCC 1843012434 OXDNYVHDHUEXHG-UHFFFAOYSA-N 404.272 -0.027 50 20 HBGD Cc1cnc2c(C(=O)N3CCCC34CN(C(=O)c3cccc(B(O)O)c3)C4)cnn2c1 1844058024 WSODYFAHCJDFNK-UHFFFAOYSA-N 419.250 -0.152 50 20 HBGD Cc1nc(S(=O)(=O)NCC(=O)NNC(=O)c2cc(Cl)ccc2O)cn1C 725880311 DVSIXYFPXGFMAA-UHFFFAOYSA-N 401.832 -0.173 50 20 HBGD Cc1ccc(NCC(=O)NNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c(C)c1 728205463 JYWIDBBYBQETKR-GJZGRUSLSA-N 422.507 -0.102 50 20 HBGD O=C(NNC(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O)[C@H]1CCS(=O)(=O)C1 730518988 SYERGRXRMSFJMJ-AAEUAGOBSA-N 423.447 -0.607 50 20 HBGD Cn1ncc2c(N3CCN(CC(=O)NNC(=O)c4cccc(C#N)c4)CC3)ncnc21 744385819 QDZRFYWIBMMGOJ-UHFFFAOYSA-N 419.449 -0.182 50 20 HBGD NC(=O)[C@H]1CC(C(=O)NNC(=O)CNC(=O)c2ccco2)=NN1c1ccc(F)cc1 751202838 XKABWAJJFXDDTP-CYBMUJFWSA-N 416.369 -0.584 50 20 HBGD CN(C)C(=O)Cn1cnc(NC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)n1 756771553 YXKNMNPTDQJPAO-UHFFFAOYSA-N 409.428 -0.764 50 20 HBGD C[C@@H](CC(=O)NNC(=O)C(=O)N1CCCC1)NS(=O)(=O)c1cccnc1Cl 760471235 VIYAOWJHKPKARY-JTQLQIEISA-N 417.875 -0.438 50 20 HBGD CON(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)CNC(=O)c2cccnc2)cc1 763820058 KENIEHOMPUVQCU-UHFFFAOYSA-N 421.435 -0.546 50 20 HBGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)c3nc(O)nc(O)c3N)CC2)cc1 766648336 JJGNJLSUICKOMA-UHFFFAOYSA-N 415.454 -0.643 50 20 HBGD CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NNC(=O)C(C)(C)O)c1 768245162 RVALMVCLDOEHHA-UHFFFAOYSA-N 414.484 -0.695 50 20 HBGD Cc1noc(C)c1S(=O)(=O)NCC(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C 771912498 QLRXQSBMXCXARA-NSHDSACASA-N 404.445 -0.305 50 20 HBGD COC(=O)c1cc(NNC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)ccc1C 816689346 DVSDFZUEVWVQEX-UHFFFAOYSA-N 400.395 -0.328 50 20 HBGD CCN=c1nc(NCC)n2c(SCC(=O)NNc3ncncc3F)n[nH]c2n1 817077435 GDQHJYHEDZNGHW-UHFFFAOYSA-N 407.439 -0.031 50 20 HBGD O=C(NC[C@@H]1CCCCS1(=O)=O)NNC(=O)c1csc(N2CCOCC2)n1 1320319275 BVZKFVYOUADABF-NSHDSACASA-N 417.513 -0.109 50 20 HBGD CN1CCN(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H](O)CCl)C3)CC1 1778845981 IPFPOBBUYJIUQF-FRQCXROJSA-N 416.950 -0.653 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(Cl)nn3)C2)C1 1779432344 CTNADPXRNFUQGP-SFHVURJKSA-N 424.889 -0.054 50 20 HBGD COC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)Br)C2)C1 1783533911 LYIUKNHIYYZKLT-RBOXIYTFSA-N 420.304 -0.249 50 20 HBGD CCC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21 1784616535 YMTHBMGYRKBSLO-FQUUOJAGSA-N 414.890 -0.075 50 20 HBGD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)Br)[C@H]2C1)n1cnnn1 1791065019 PCVGQSMLRFSVGX-MOLYVOAJSA-N 415.292 -0.003 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)n(C)n3)C[C@@H]21 1791288764 SRFWPCRIXCOPLF-YDHLFZDLSA-N 422.486 -0.908 50 20 HBGD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)C1(O)CCC1 1792474248 FSNLUMAYRMXBST-SCNOPHJPSA-N 416.283 -0.879 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)[C@@H]2C=CCN2)[C@H]1c1cccnc1 1808224228 VNBMTZQRGYQBLH-ABSDTBQOSA-N 414.510 -0.012 50 20 HBGD NC[C@H](N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1 1827583619 BHLHHFGETMEHFX-DLBZAZTESA-N 417.514 -0.796 50 20 HBGD Nc1nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cs1 1830722873 IATUDYOLXGGSIT-IAQYHMDHSA-N 404.876 -0.605 50 20 HBGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCOC3=O)CCO2)C1 1831020560 WWMJTEFJMLVAGB-SUMWQHHRSA-N 403.863 -0.088 50 20 HBGD COC(OC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1831040699 GGNZODVHRWJZKU-ABAIWWIYSA-N 409.277 -0.155 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)C1 1835124529 HOBYJTJXCXRBHS-ZLIFDBKOSA-N 422.309 -0.042 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835931649 VWQRHVWPRJVKDY-APWZRJJASA-N 424.690 -0.546 50 20 HBGD Cc1nnc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)s1 1836074967 FWZVFVPJOAHFIB-MLGOLLRUSA-N 418.903 -0.555 50 20 HBGD CS(=O)(=O)N[C@H]1CCCN(C(=O)NNC(=O)CNC(=O)c2cccs2)C1 725873903 SCEUKPFKVSZAQJ-JTQLQIEISA-N 403.486 -0.768 50 20 HBGD Cn1ccc(N2CCC[C@H](NC(=O)NNC(=O)CNC(=O)c3ccco3)C2=O)n1 743577114 MMHDGGPOFWOVEW-NSHDSACASA-N 403.399 -0.731 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)[C@H]3CCCN(C(N)=O)C3)cc2)CC1 748618752 FQLHJIVYBZCQMN-AWEZNQCLSA-N 424.527 -0.144 50 20 HBGD CNC(=O)Cn1ccc2ccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc21 756758027 FYLKUYWMLIWUFJ-SNVBAGLBSA-N 410.456 -0.522 50 20 HBGD NC(=O)c1ccc(NNC(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)nn1 757398295 FVFABJCKLYOTIT-LBPRGKRZSA-N 420.451 -0.210 50 20 HBGD COCC(=O)NNC(=O)C(=O)Nc1cc(S(=O)(=O)C(F)(F)F)ccc1OC 764299243 ATCASAAXYSKBKB-UHFFFAOYSA-N 413.330 -0.279 50 20 HBGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1c[nH]n2c1nc(=O)c1ccccc12 764342074 CSDZPKNWSJYBJQ-UHFFFAOYSA-N 405.374 -0.238 50 20 HBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNS(=O)(=O)N1CCCCC1 765117012 AMVFZUJYBYWEIR-UHFFFAOYSA-N 409.512 -0.204 50 20 HBGD C[C@@H]1C[C@@H](NC(=O)NNc2nc(O)c3cnn(C)c3n2)C(=O)N1c1cnn(C)c1 770399228 LAQRGUHTWCKSGG-LDYMZIIASA-N 400.403 -0.378 50 20 HBGD O=C(COCc1ccccc1)NNC(=O)NCCNS(=O)(=O)c1cccnc1 773021694 DYQSWJJJTVGWNJ-UHFFFAOYSA-N 407.452 -0.093 50 20 HBGD CN(NC(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 776201809 MCBWCSRVZCGLAJ-UHFFFAOYSA-N 424.458 -0.667 50 20 HBGD Cc1nc(O)c(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1Br 778573981 LDESRAUVJWANHZ-SSDOTTSWSA-N 407.246 -0.011 50 20 HBGD COc1ccc(C(=O)NNC(=O)N2CCN(C)CC2)cc1S(=O)(=O)NC1CC1 788167173 XORVZWBCNNSOQI-UHFFFAOYSA-N 411.484 -0.262 50 20 HBGD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)CNc1ccccc1 823328325 GUDODDVGGJCJFG-UHFFFAOYSA-N 421.479 -0.081 50 20 HBGD COc1ccc(C(=O)NNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 1317707414 KNEKFWVNPFFHHT-LBPRGKRZSA-N 408.436 -0.378 50 20 HBGD O=C(C[C@@H]1C=CS(=O)(=O)C1)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 1333587518 LNYAJGTVDBDOMM-HNNXBMFYSA-N 420.491 -0.460 50 20 HBGD C=CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779028306 CKEZNISGAJFMSW-XOBRGWDASA-N 417.466 -0.280 50 20 HBGD CCCC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784091597 YLGVPKLBYVTZAN-FQKPHLNHSA-N 403.907 -0.129 50 20 HBGD O=C(CN1C(=O)C=CC1=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1784119340 WZHVFHPHSZZINN-UKRRQHHQSA-N 418.219 -0.568 50 20 HBGD C[C@@H]1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)O1 1795734131 DWCCWJQYKOQPCL-QMQAMEMWSA-N 402.256 -0.863 50 20 HBGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H](O)CN1 1799143353 RLLUVBBROVVGKR-IIEFLBBWSA-N 404.305 -0.528 50 20 HBGD O=C1CC[C@H](C(=O)N2CCCC3(CCN(C(=O)c4ccc(B(O)O)cc4)CC3)C2)N1 1809464767 AQGTYNVQUVIUAK-QGZVFWFLSA-N 413.283 -0.510 50 20 HBGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1nc[nH]n1)CC2)c1cccc(B(O)O)c1 1815355028 ZSIUQBIBXZPRSN-LLVKDONJSA-N 412.240 -0.519 50 20 HBGD C[C@H](NC=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1822887775 AJEGBOMKLORHSP-GWCFXTLKSA-N 416.268 -0.817 50 20 HBGD O=C(c1coc(Cl)n1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1833551926 FAOUMMTUBNOENW-ABAIWWIYSA-N 408.238 -0.002 50 20 HBGD C[C@H](Cn1cncn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1837643907 YHTTZQFOEVQGSN-IOASZLSFSA-N 403.842 -0.095 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccccc1)CCO2 1838849752 HNPVJSYPMMPRLZ-JOCHJYFZSA-N 424.262 -0.250 50 20 HBGD CCN1CCC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)CC1 1840926183 PTROGRNACVUYHF-APWZRJJASA-N 417.934 -0.226 50 20 HBGD CC(C)CNC(=O)C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844264187 QIXTUBWTNFKWNY-UHFFFAOYSA-N 402.455 -0.726 50 20 HBGD CC(=O)NCCC(=O)N1CCCC12CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1846008500 TYTOYGYIYKJETL-LPYMAVHISA-N 402.455 -0.150 50 20 HBGD CCS(=O)(=O)CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1847788654 SLHUWAKKJVKHIY-KTCZPQHMSA-N 423.495 -0.243 50 20 HBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)Cn2ccc(=O)[nH]c2=O)c1 27205576 APZNILFRNOECGE-UHFFFAOYSA-N 423.451 -0.972 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNc2ccc(Br)nc2)n(C)c1=O 732836994 VGAXNUCTWPOAFA-UHFFFAOYSA-N 408.216 -0.266 50 20 HBGD COC(=O)COc1ccc(S(=O)(=O)NNC(=O)CNC(=O)c2ccco2)cc1 751283672 ZBNVIPFSYUVPFG-UHFFFAOYSA-N 411.392 -0.429 50 20 HBGD COCCN(C)S(=O)(=O)[C@@H]1CCCN(CC(=O)NNC(=O)c2ccccc2)C1 753784126 FATMOJVQBIKCQV-MRXNPFEDSA-N 412.512 -0.180 50 20 HBGD O=C(COc1ccccc1O)NNC(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 755257402 MYXHHPAQHUNYCS-IYVPYFHTSA-N 414.418 -0.092 50 20 HBGD NS(=O)(=O)c1cc(C(=O)NNC(=O)[C@@H]2CN3CCCN2CC3)ccc1Cl 763461904 AFRAKOHUMNWGNT-LBPRGKRZSA-N 401.876 -0.862 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc2oc(C3CC3)nc2c1 764228167 VCOBNOJKPVGTRA-MRVPVSSYSA-N 409.424 -0.271 50 20 HBGD Cc1ccccc1CC(=O)NNC(=O)CN1CCC(O)(CN2CCOCC2)CC1 779603536 GPFPOMBTEKUVRE-UHFFFAOYSA-N 404.511 -0.156 50 20 HBGD C[C@H]1CN(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)C[C@@H](C)S1(=O)=O 811874026 GTUTYUWOOUCJSY-BETUJISGSA-N 410.500 -0.059 50 20 HBGD O=C(CNC(=O)c1cccnc1)NNC(=O)C(=O)N1CCN(c2ccccc2)CC1 812534593 OXGGDCXUYVBCRI-UHFFFAOYSA-N 410.434 -0.692 50 20 HBGD COc1cc(C(=O)NNC(=O)c2ccnc(S(C)(=O)=O)n2)cc(OC)c1OC 816814083 HTFRKYIOCWFKEF-UHFFFAOYSA-N 410.408 -0.019 50 20 HBGD Cc1nc(S(=O)(=O)N2CCC(C(=O)NNC(=O)c3cnn(C)c3)CC2)cn1C 1318566100 HXSPQOXUFFHTJQ-UHFFFAOYSA-N 409.472 -0.676 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)nc(O)n3)CCO2)C1 1783875326 LUBOGPDFYZGSID-QFYYESIMSA-N 400.819 -0.415 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnc(Cl)nc1)CCO2 1783932854 HLPWWKLLJDHIEU-SFHVURJKSA-N 424.889 -0.054 50 20 HBGD CC[C@H](C)[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1784545922 RMGRQHGGBLMEQP-SKMQDVENSA-N 418.299 -0.633 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]2C1 1786802376 KKBBWNPHVRTPEK-SMXCXOSKSA-N 423.341 -0.205 50 20 HBGD C[C@@H](Br)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CC(=O)NC1=O 1794087823 NRVPKTMKXTWSRP-CHWFTXMASA-N 401.261 -0.040 50 20 HBGD COCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1795349266 WWXPNESCRPUWQV-MADJGSHVSA-N 405.455 -0.254 50 20 HBGD CN1CCCC[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795737811 VKPKYDWSPJTTEU-UKBAYJJMSA-N 415.299 -0.946 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnncc1C(=O)O 1798780093 KAILRPREIPBXKR-CLLJXQQHSA-N 418.454 -0.200 50 20 HBGD CN1C(=O)CC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Br 1799348713 NRYONJWJKOCUMW-CWUQZGLOSA-N 406.252 -0.113 50 20 HBGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)n1cnnn1)C2 1800643988 BPSONDACEIJVOM-NAWOPXAZSA-N 415.292 -0.003 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CO)o1)C2 1801011954 YNGNUDBVXCTZHK-IVWMJMPLSA-N 408.455 -0.652 50 20 HBGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCS(C)(=O)=O 1801533198 XAGPKUKZZAQDKP-KQXIARHKSA-N 411.318 -0.206 50 20 HBGD NC(=O)CC[C@H](N)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](O)CCl)CC2 1814800220 HOIHSDMAOLMFFK-KHQFGBGNSA-N 403.892 -0.752 50 20 HBGD O=C(Cn1cnnn1)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1817615991 NGXYXNIQICXXEX-HNNXBMFYSA-N 424.230 -0.918 50 20 HBGD C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1831456390 JIHFTBWAJPPMPJ-TYNCELHUSA-N 414.883 -0.342 50 20 HBGD CN1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)C1 1834826540 QTGHOHWQFBWTHN-MRXNPFEDSA-N 404.305 -0.211 50 20 HBGD O=C(c1ccc2ncnn2c1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837164649 LOEDQBCZUXJPAG-KBXCAEBGSA-N 423.857 -0.601 50 20 HBGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncon3)C2)C1 1840034730 VVKAWYPDKQFSHN-YGRLFVJLSA-N 403.233 -0.077 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)n(C)n3)C2)C1 1840150038 FBSABRBCTREWHT-YVEFUNNKSA-N 416.862 -0.551 50 20 HBGD CSCC[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840195419 ZFGIVPKJUJWKGZ-HEHGZKQESA-N 410.920 -0.844 50 20 HBGD CC[C@@H](NC(N)=O)C(=O)N1CC2(CCCN2C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C1 1843416105 ZTOVTCSJLLETCZ-GHONEHJGSA-N 417.470 -0.229 50 20 HBGD CCCC(=O)N[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1844360478 IQMCDHUPPVWKIN-ZDUSSCGKSA-N 416.482 -0.193 50 20 HBGD CCN1C[C@@H](C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)CC1=O 728214144 LZOMHJIOJFTSGY-AWEZNQCLSA-N 409.512 -0.066 50 20 HBGD C[C@H](C(=O)NNC(=O)[C@@H]1COc2ccccc2O1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 742241867 NCLVEEXJEKNPHM-RVCBQEEVSA-N 415.402 -0.475 50 20 HBGD COC(=O)c1cc(Cl)ccc1S(=O)(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 753769871 KOGNWEDTNNMONA-MRVPVSSYSA-N 410.857 -0.129 50 20 HBGD O=C(CSc1ccccc1O)NNC(=O)NCCS(=O)(=O)N1CCOCC1 763487007 NEABDYYATFUYGO-UHFFFAOYSA-N 418.497 -0.523 50 20 HBGD CCOC(=O)c1[nH]c(C)c(S(=O)(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1C 768495825 GMFIBWLSXCQAFS-JTQLQIEISA-N 407.470 -0.448 50 20 HBGD CC[C@H](C)NC(=O)CN1CCN(CC(=O)NNC(=O)c2ccc(C#N)cc2)CC1 771089296 FXDQDMWSXUKKFJ-HNNXBMFYSA-N 400.483 -0.148 50 20 HBGD C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NNC(=O)CN1CCCC1=O)C2=O 789856412 GCHFBHNTGVQMPP-HXPMCKFVSA-N 407.471 -0.107 50 20 HBGD CC[C@H](N=c1nn[nH]n1-c1ccccc1)C(=O)NNC(=O)[C@@H]1CCc2nncn2C1 816879770 VPOVCKRFYGYVLP-OCCSQVGLSA-N 410.442 -0.724 50 20 HBGD CC(C)(C)C(=O)NNC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 916516722 PVPRVWIBRLUDRI-UHFFFAOYSA-N 412.516 -0.090 50 20 HBGD CS(=O)(=O)N1CCC[C@@H](NC(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])C1 920240174 KVVRQTLIQSNVNF-LLVKDONJSA-N 415.428 -0.272 50 20 HBGD N#Cc1ccc(C(=O)NNC(=O)CN2CCN(C(=O)N3CCOCC3)CC2)cc1 1116321383 FKZQYUIPVSXQQY-UHFFFAOYSA-N 400.439 -0.611 50 20 HBGD Cn1nncc1CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 1117492401 NIJQQGSXVKZFMC-UHFFFAOYSA-N 407.456 -0.256 50 20 HBGD C[C@H](C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(F)c(F)c1 1319764198 YZZQTYAQERDTKI-VIFPVBQESA-N 420.376 -0.337 50 20 HBGD C[Si](C)(C)OCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)N1CCOCC1)CCO2 1779297170 UERXXEBNYYLIHC-WMZOPIPTSA-N 415.563 -0.682 50 20 HBGD COc1cc(C(=O)N2CC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)nn1C 1780438935 YJJYOPKQSURWBZ-LJQANCHMSA-N 422.486 -0.755 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnc(N(C)C)o1)CCO2 1783936397 MQYPFXIZPFUVBQ-LJQANCHMSA-N 422.486 -0.443 50 20 HBGD O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1785214015 HJDDTPGYDPIUJP-PYJNHQTQSA-N 415.834 -0.629 50 20 HBGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)O3)C[C@@H]21 1791055071 IDKFQSBRKYXJHG-DGORSVRFSA-N 404.261 -0.142 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)CCl)c1n[nH]c2c1CS(=O)(=O)C2 1793109956 IUVOLOFXHCNWOR-BSTOTGJRSA-N 416.887 -0.310 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(O)cc1)C2)c1ccc(B(O)O)cc1 1795735214 QBRPWJFWMNBWBK-HGKCTWBKSA-N 410.235 -0.411 50 20 HBGD Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)n[nH]1 1801011228 CEOQCCVGEUOBFC-HBCWATKFSA-N 406.487 -0.777 50 20 HBGD O=C(c1coc(Cl)n1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1833551928 FAOUMMTUBNOENW-NHYWBVRUSA-N 408.238 -0.002 50 20 HBGD C#CCCC(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834801422 HSWCITZPJNBKCD-UHFFFAOYSA-N 411.311 -0.035 50 20 HBGD O=C1CC[C@H](C(=O)N2CCC(OC3CCN(C(=O)[C@H](O)CCl)CC3)CC2)N1 1836716646 HHGCQDAGQRQVSQ-HUUCEWRRSA-N 401.891 -0.137 50 20 HBGD C=CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1837703030 SZEURNPBAXTGLO-BZNIZROVSA-N 408.282 -0.063 50 20 HBGD CCOC(=O)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)CC1 1839759599 BBKLNVVXAISNHG-SUMWQHHRSA-N 418.874 -0.614 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCC3=O)C2)C1 1840151758 NCDZRMRYFNXYRI-RDTXWAMCSA-N 417.890 -0.681 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3)C2)C1 1840183646 RBAMIZSSIPAZAU-FQEVSTJZSA-N 419.482 -0.475 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)[C@H]2CNC(=O)C2)C1 1845997951 SVRKGEYBJBJGQE-UMYHVIPVSA-N 400.439 -0.540 50 20 HBGD COC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1846361651 HAUYPEZZZYRXGR-NSHDSACASA-N 416.887 -0.091 50 20 HBGD CCc1nc2ccccc2n1CC(=O)NNC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O 728512113 LEQICHYNMCYMFW-INIZCTEOSA-N 414.466 -0.127 50 20 HBGD C[C@H](C(=O)NNC(=O)COCc1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 744369024 QJYRUNMQINCXPM-RGTXSCMUSA-N 401.419 -0.099 50 20 HBGD Cc1ccc(C(=O)NNC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cc1 745481471 JNWRCRFBSRPCHI-BQGCOEIASA-N 415.402 -0.538 50 20 HBGD NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)NNC(=O)c3ccccn3)CC2=O)c1 746091713 IPRFYPXXKOCEQF-NSHDSACASA-N 403.420 -0.457 50 20 HBGD O=C(COC(=O)C[C@H]1CCS(=O)(=O)C1)NNC(=O)[C@@H]1COc2ccccc2O1 750004985 PWEGZAXKYLAJBQ-RISCZKNCSA-N 412.420 -0.658 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(-c2nccs2)cc1 764226936 LHKGFVAKLPIIQB-SECBINFHSA-N 411.465 -0.166 50 20 HBGD CS(=O)(=O)c1ccccc1NNC(=O)NCCNS(=O)(=O)Cc1ccon1 765819278 WTYYACHUFARFQN-UHFFFAOYSA-N 417.469 -0.176 50 20 HBGD Cc1ccccc1CC(=O)NNC(=O)CN1CCN(C(=O)C(=O)NC(C)C)CC1 766847416 ZPUMNYPLNOXXNV-UHFFFAOYSA-N 403.483 -0.646 50 20 HBGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)n(-c2ncccn2)n1 768233950 PJTPCLLZDJTZKL-CQSZACIVSA-N 423.389 -0.103 50 20 HBGD Cn1nnnc1CCNC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 772579107 RNEOPHCZYNVENE-UHFFFAOYSA-N 422.471 -0.819 50 20 HBGD CC(C)[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CNC(=O)OCc1ccccc1 794063281 JYGHORPAMSIYQH-AWEZNQCLSA-N 400.457 -0.366 50 20 HBGD O=C(NNC(=O)[C@H]1CCCO1)C(=O)Nc1ccc(I)cn1 815779497 IEJWDIXOTUOANI-MRVPVSSYSA-N 404.164 -0.049 50 20 HBGD COc1cc(C(=O)NNC(=O)CN2CCCC2=O)ccc1OCC(=O)NC(C)C 920433427 SUGDVROWHXTLIS-UHFFFAOYSA-N 406.439 -0.018 50 20 HBGD CN(CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C(Cl)Cl)C1)C(=O)C(=O)O 1782221352 RMEUTUGFZISKSK-QLJPJBMISA-N 424.281 -0.153 50 20 HBGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@H]2C1 1786892797 NFVBDDQVGMPZJK-SJHCENCUSA-N 419.320 -0.658 50 20 HBGD COC[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788611493 FJDGOCFYGUQAJJ-PYTWLRIVSA-N 419.482 -0.439 50 20 HBGD NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807373246 QBAYANKANLWWDB-UZLBHIALSA-N 424.266 -0.654 50 20 HBGD O=C1C[C@H](C(=O)N2CCC(N3CCC(NC(=O)[C@@H](O)CCl)CC3)CC2)CCN1 1833313031 RCZKLBLOOATTDX-CJNGLKHVSA-N 414.934 -0.316 50 20 HBGD CS(=O)(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1835260770 AHXKMOYKUBCLKO-CYBMUJFWSA-N 403.284 -0.709 50 20 HBGD O=C(Cn1nccn1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1839237417 HWFSMZMVRBNMMH-OCCSQVGLSA-N 420.239 -0.575 50 20 HBGD CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1839876403 OWPQIUYQWWJUHJ-BLLLJJGKSA-N 420.304 -0.248 50 20 HBGD C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNC(=O)Cc1c[nH]c2ccccc12 755049617 PDTJEEYBPDFDEB-LLVKDONJSA-N 404.452 -0.042 50 20 HBGD C[C@@H](CNC(=O)C(=O)NNC(=O)c1cc2c(s1)CCCCC2)S(N)(=O)=O 763962144 MAGFTLDBTATXBS-VIFPVBQESA-N 402.498 -0.429 50 20 HBGD Cn1cnn(-c2ccc(NC(=O)C(=O)NNC(=O)[C@H]3Cc4ccccc4O3)cc2)c1=O 764152784 FZXSKVIWYZELCI-MRXNPFEDSA-N 422.401 -0.339 50 20 HBGD Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)C(=O)NNC(=O)CN(C)C 764204369 SUPQIRACARRLKF-UHFFFAOYSA-N 407.496 -0.168 50 20 HBGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)ccc1OC(C)C 764230747 KSNIAJSYVWFGGA-LLVKDONJSA-N 400.457 -0.194 50 20 HBGD CCN1CCO[C@@H](C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)C1 766648050 GWULZIDEPORPIE-QGZVFWFLSA-N 403.483 -0.688 50 20 HBGD CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NNc2nc(O)c3cnn(C)c3n2)CC1=O 770971550 KKLAWSWXGWDRNS-NWDGAFQWSA-N 402.459 -0.155 50 20 HBGD C[C@H]1CN(CCC(=O)NNC(=O)c2cc(S(=O)(=O)N(C)C)cn2C)C[C@@H](C)O1 779158685 PJYQTWJLUGKTQH-BETUJISGSA-N 415.516 -0.464 50 20 HBGD C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NNC(=O)COc1ccccc1O 793460890 GTAQVAAUEPDDFE-SFHVURJKSA-N 420.422 -0.466 50 20 HBGD COC(=O)Cn1ncc(NC(=O)C(=O)NNC(=O)CSc2ccccc2O)c1C 797013035 VAQBCSVNVMFJSK-UHFFFAOYSA-N 421.435 -0.052 50 20 HBGD CCS(=O)(=O)NC1CCN(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CC1 918779525 YDTJFVIBTZIPMH-UHFFFAOYSA-N 422.471 -0.580 50 20 HBGD Cn1c(=O)c2cc(C(=O)OCC(=O)NNC(=O)c3cccs3)n(C)c2n(C)c1=O 920606000 MXVSCLWNQXUGSZ-UHFFFAOYSA-N 419.419 -0.745 50 20 HBGD CCOC1CC(CNC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)(N2CCOCC2)C1 1320869995 VTVOUXZIKZUPDJ-WIHSUSGWSA-N 404.533 -0.363 50 20 HBGD C[C@H](Cn1cncn1)C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1779223330 HHQQVZLILJPFTO-BEFAXECRSA-N 421.502 -0.883 50 20 HBGD Cn1cnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)c1 1786196929 MDGRASOBDMCWFQ-ZVZYQTTQSA-N 412.255 -0.993 50 20 HBGD CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792979711 BJNZPMIGVJTJRH-ZUDIRPEPSA-N 421.878 -0.981 50 20 HBGD C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1793357854 DABBABVFFCBGMU-ZJOBFFGXSA-N 417.466 -0.521 50 20 HBGD C[C@H](Br)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CC(=O)NC1=O 1794087824 NRVPKTMKXTWSRP-MMWGEVLESA-N 401.261 -0.040 50 20 HBGD CC[C@@H](C)[C@@H](N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797750498 IDRRAEAIHIRTRM-XIUQWWLSSA-N 418.498 -0.738 50 20 HBGD C[C@@H]1C[C@]1(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1799163380 AGKCZWPRBNPLBU-PYCKEEFSSA-N 401.467 -0.066 50 20 HBGD C[C@H](O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnccc1C(=O)NN)CC2 1825621973 WGBRCDCLNBAUJY-IUCAKERBSA-N 404.452 -0.252 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2C[C@H](O)CN2)CC1 1830204152 RCSVMPRHIWEQLX-OKZBNKHCSA-N 423.558 -0.298 50 20 HBGD Cc1nn(C)c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1F 1830725328 NZMYLDXJVOWNNB-SJCJKPOMSA-N 418.853 -0.463 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnsn3)CCO2)C1 1833536387 WHXMAHOMMLUMGA-XHDPSFHLSA-N 404.876 -0.138 50 20 HBGD CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)CC1 1834622312 CNWZTAOATGYFDK-FQEVSTJZSA-N 402.256 -0.764 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCn3cncn3)C2)C1 1840155401 AQOPJYBQAPOYGJ-WMLDXEAASA-N 415.878 -0.622 50 20 HBGD Cc1cnoc1C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840184864 BNOFAWXSSATFGI-IBGZPJMESA-N 423.470 -0.574 50 20 HBGD CC(=O)c1cc(C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)n[nH]1 1842336302 DQMKOPVPFQCHFJ-UHFFFAOYSA-N 411.422 -0.258 50 20 HBGD O=C(CCBr)N1CC2(CCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)C1 1843234246 BTNVPBVBUOFTTN-UHFFFAOYSA-N 410.232 -0.585 50 20 HBGD CC(=O)N/C(C)=C/C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1845752375 NXVSXEITBHHNCN-XYOKQWHBSA-N 400.439 -0.458 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2ccc(C#N)nc2)c1 751263248 WOXDADXFQMEETL-UHFFFAOYSA-N 409.449 -0.173 50 20 HBGD COc1cccc(C(=O)NNC(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)c1O 755845897 AAICZNNCQZOQPJ-UHFFFAOYSA-N 414.378 -0.187 50 20 HBGD NC(=O)[C@H]1CC(C(=O)NNc2nccc(N3CCOCC3)n2)=NN1c1ccccc1 762848212 OPFZJALAMNLXTF-OAHLLOKOSA-N 410.438 -0.124 50 20 HBGD O=C(NNC(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1ccc(-n2nccn2)nc1 764003642 KTKSKRMVVMULSI-UHFFFAOYSA-N 409.362 -0.167 50 20 HBGD C[C@H](c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)cc1)N1CCOCC1 764434475 QDEQIWJERXGDSS-CZUORRHYSA-N 406.439 -0.419 50 20 HBGD COc1ccccc1CCC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765725386 RGGPWVJWJWXXSF-UHFFFAOYSA-N 414.422 -0.778 50 20 HBGD CC(C)(O)C(=O)NNC(=O)CNS(=O)(=O)c1ccc(Br)s1 768245608 WQTFLFLWBSEORC-UHFFFAOYSA-N 400.276 -0.293 50 20 HBGD CCCNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)c1 784002675 JEYYBWFNXJBWDC-UHFFFAOYSA-N 415.406 -0.065 50 20 HBGD O=C(COC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NNC(=O)c1cccs1 786355939 MXWLBCVLFQSIRX-XEQNPHJVSA-N 421.431 -0.395 50 20 HBGD CCOC(=O)c1ccccc1S(=O)(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 799524411 LDEKUJGSWAFKJY-SNVBAGLBSA-N 405.454 -0.457 50 20 HBGD CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)NNC(=O)c1ccccc1OC 812885452 QJUSLDKHTBHCSH-GFCCVEGCSA-N 412.468 -0.325 50 20 HBGD O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NNC(=O)c1csc(N2CCOCC2)n1 912852083 JTDUZCUGEDUNNZ-RYUDHWBXSA-N 421.479 -0.084 50 20 HBGD O=C(CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)c1cncn1-c1ccccc1 1116132393 GAVWXZOXTSPCGI-SRABZTEZSA-N 409.402 -0.204 50 20 HBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](F)Cl)C2)[C@H](O)N1CCOCC1 1779413585 QRGQIFXSUKCJAT-UTJXIGIESA-N 407.870 -0.315 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1cnc[nH]1)C2 1782211952 IXALZPLUEATALM-OXQOHEQNSA-N 420.514 -0.161 50 20 HBGD CC(=O)NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782213344 LUCZBDCKOSYONE-DNVCBOLYSA-N 411.503 -0.991 50 20 HBGD CC[C@H](Br)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCO2 1783350724 APKIDQRHPUYAPH-QCQGSNGOSA-N 404.305 -0.287 50 20 HBGD Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)cn1 1785940551 QXKCUFIPLBACRS-IHPCNDPISA-N 423.278 -0.023 50 20 HBGD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1)C1(O)CCC1 1791287362 ZAMBQUNFWJJQEI-QAETUUGQSA-N 424.542 -0.110 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H]1NC(=O)NC1=O 1793942552 ADBJAUDNLOAMPI-RLHKTWEUSA-N 421.281 -0.590 50 20 HBGD COC[C@H](NC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCC(=O)NN(C)C)C2 1798643371 IPDFCIGYVWJYJN-FZKCQIBNSA-N 411.503 -0.851 50 20 HBGD COC(=O)NCC(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809980273 SZMUJWHAEDMZNX-UHFFFAOYSA-N 417.271 -0.433 50 20 HBGD CCCNC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830727038 ZSEJSPCMXSQAQS-KDOFPFPSSA-N 419.906 -0.651 50 20 HBGD O=C([C@H](O)CCl)N1CCOC[C@]2(C1)CN(C(=O)C(F)(F)C(F)F)CCO2 1832183182 LBLQHZUUVLIMQG-RNCFNFMXSA-N 406.760 -0.057 50 20 HBGD N=C(N)NCC(=O)NC1CCN(C2CCN(C(=O)CCBr)CC2)CC1 1834676771 KZHUYCKOQDPAFH-UHFFFAOYSA-N 417.352 -0.174 50 20 HBGD CC(=O)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCBr)CCO2 1834825246 UZNVKUURCFYCSY-MRXNPFEDSA-N 420.304 -0.246 50 20 HBGD C[C@H](CN)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837829604 HDLSVDIWRBWMQO-OAHLLOKOSA-N 417.315 -0.427 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)N(C)C)C2)C1 1839141323 DXNMHYZYWHLWBV-SUMWQHHRSA-N 404.895 -0.269 50 20 HBGD Cc1nn(C)c(C)c1CC(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843015226 UVACGAHLWGDZHP-UHFFFAOYSA-N 410.283 -0.224 50 20 HBGD CN(C1CCN(C(=O)NNC(=O)CNC(=O)c2cccs2)CC1)S(C)(=O)=O 725872198 BJRRDSWFPITWNZ-UHFFFAOYSA-N 417.513 -0.426 50 20 HBGD CCOC(=O)N1CCN(S(=O)(=O)NNC(=O)COc2ccccc2O)CC1 730814235 SBIBGPZYPWJOQM-UHFFFAOYSA-N 402.429 -0.589 50 20 HBGD NC(=O)COc1cccc(C(=O)N2CCN(S(=O)(=O)CBr)CC2)c1 758534118 CASOWUGDRKMXGT-UHFFFAOYSA-N 420.285 -0.009 50 20 HBGD CCOc1ccc(C(=O)NNC(=O)NCCNS(=O)(=O)NC(C)C)cc1OC 759522542 RBUGUYYALCPZTQ-UHFFFAOYSA-N 417.488 -0.130 50 20 HBGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 763864909 MCYHDLLJTHKUDK-NSHDSACASA-N 420.401 -0.336 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccn([C@@H](C)c2ccccc2)n1 764227959 SSEQUWDQRGLHAB-RYUDHWBXSA-N 422.467 -0.484 50 20 HBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)C(C)C)cc1 764325715 RNFHERGLVCKWMU-UHFFFAOYSA-N 400.457 -0.162 50 20 HBGD O=C(CNC(=O)c1cccnc1)NNC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1 764342799 IQNSTGSNQINHON-OAHLLOKOSA-N 402.455 -0.113 50 20 HBGD Cc1cc(C(=O)NNC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)n[nH]1 776062496 WNULTARZNYIRKN-UHFFFAOYSA-N 409.428 -0.399 50 20 HBGD O=C(CN1CCC(O)(CN2CCOCC2)CC1)NNC(=O)c1cccc([N+](=O)[O-])c1 779603611 HXRNVFMTKBQGDW-UHFFFAOYSA-N 421.454 -0.485 50 20 HBGD COc1ccc(C(=O)NNC(=O)COC(=O)[C@H]2CCS(=O)(=O)C2)cc1OC 791891219 PVDFUAOJEIRJNZ-NSHDSACASA-N 400.409 -0.557 50 20 HBGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)NNC(=O)Cc1ccccn1 792903062 FOAYRRJXCBIMBT-UHFFFAOYSA-N 400.395 -0.088 50 20 HBGD Cc1nocc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1786138115 VLPBDZVNUHVQIY-DZKIICNBSA-N 407.471 -0.051 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@@]3(F)Cl)C[C@@H]21)c1ccc(B(O)O)cc1 1786983914 VZIYPNKQOYXHED-RWBKLUSOSA-N 424.665 -0.116 50 20 HBGD CO/C=C(\C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788611291 SLIKITQWYSHLSJ-KNGLFYTFSA-N 417.466 -0.171 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CC[C@H](O)CC3)[C@H]2C1 1791405843 VKRNXEWWFDSFCD-ATIWLJMLSA-N 424.542 -0.110 50 20 HBGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CNC(=O)O1)C2 1792868487 BMFWKVYWJPMOJQ-LDMBFOFVSA-N 404.261 -0.285 50 20 HBGD O=C1NCc2cc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@@H](O)CCl)ccc21 1792981867 YDMINTFRJAQFNF-XRGAULLZSA-N 407.854 -0.267 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ncccc1F 1798300735 AJNBDYKITLYTQU-XOIINTDNSA-N 413.214 -0.583 50 20 HBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(OC)nn1C)C2 1800974104 KNNSQINHEXVSNB-OXIQGZBJSA-N 400.863 -0.114 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCC(O)CC1)C2 1801012144 HYSQIFRYSOTQMM-KZKGMGBFSA-N 410.515 -0.500 50 20 HBGD O=C1NC(=O)[C@@H](CC(=O)N2CCCC3(CCN(C(=O)[C@@H](O)CCl)CC3)C2)N1 1806842488 PQLWETHYRTYTNZ-NEPJUHHUSA-N 400.863 -0.585 50 20 HBGD COC[C@H](NC(C)=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](O)CCl)CC2 1820184162 NICSOEAWNAKYKR-ZMLRMANQSA-N 418.903 -0.194 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC=O)C2)C1 1840034454 LYPLQFZQZLMNJE-ZOWXZIJZSA-N 406.277 -0.639 50 20 HBGD O=C(CCc1ncc[nH]1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840323176 VIUNUQZHTQXWHW-CXAGYDPISA-N 400.863 -0.602 50 20 HBGD CN(C)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1842285063 FDAGLCUDCDINKI-UHFFFAOYSA-N 408.267 -0.042 50 20 HBGD Cn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1cc(Cl)ccc1O)c(=O)n2C 10600928 QANGLYPAYXTNQW-UHFFFAOYSA-N 406.786 -0.746 50 20 HBGD Cn1nc(SCC(=O)NN=Cc2cnn(Cc3ccccc3)c2)c(=O)n(C)c1=O 730570293 GBESUNIKZUVZJG-UHFFFAOYSA-N 413.463 -0.034 50 20 HBGD O=C(NCc1nnnn1-c1ccccc1)NNC(=O)c1ccc(-n2cnnn2)cc1 730578133 KYUAZMIVTAMBFC-UHFFFAOYSA-N 405.382 -0.218 50 20 HBGD CN(C)c1nccc(NNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)n1 740103272 NYVZJFVYXACUJR-UHFFFAOYSA-N 419.467 -0.580 50 20 HBGD CS(=O)(=O)N1CCC(C(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)CC1 744538003 YERSZTXAWMEONJ-UHFFFAOYSA-N 408.436 -0.466 50 20 HBGD Cc1cc(C(=O)O)cc(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1F 749142537 PEKBGCSGCQSZHT-SECBINFHSA-N 409.417 -0.488 50 20 HBGD COC(=O)c1ccc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1C(=O)OC 756816174 ABDBMORNGXAPTJ-VIFPVBQESA-N 413.408 -0.153 50 20 HBGD CC1(C)C(=O)N(C[C@@](C)(O)C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c2ccccc21 760079355 KVLQYSBTXQXVDX-HXPMCKFVSA-N 423.491 -0.356 50 20 HBGD O=C(COc1ccccc1F)NNC(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 763682922 RPMWRKPIHDGQOS-UHFFFAOYSA-N 418.385 -0.534 50 20 HBGD COCC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)Cn2nc(C)cc2C)cc1 763880457 FWKCNJQVGPTEDW-UHFFFAOYSA-N 402.411 -0.129 50 20 HBGD CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NNC(=O)COC 764303867 QDQVTQQESSXFGC-UHFFFAOYSA-N 412.468 -0.600 50 20 HBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(CC(=O)N2CCN(C)CC2)cc1 764320489 YVZILJWRAZUCQP-UHFFFAOYSA-N 405.455 -0.875 50 20 HBGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)CO)CC2)cc1 777782230 ZAFBNIGWIUEYNX-UHFFFAOYSA-N 413.452 -0.596 50 20 HBGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)Cc2cccnc2)[C@@H](C)O)cc1 779512200 OEIMLNVFMZHRRC-DYVFJYSZSA-N 406.464 -0.192 50 20 HBGD Cc1nc(S(=O)(=O)NNC(=O)CNC(=O)c2ccco2)c(Br)n1C 808086767 HHGGXJUNFMLUIG-UHFFFAOYSA-N 420.245 -0.176 50 20 HBGD O=C(CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)c1n[nH]c2c1CCCC2 1329852309 GGYHNCNJNOICER-GBOPCIDUSA-N 401.423 -0.398 50 20 HBGD O=C(CCN1CCOC1=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2 1778776790 BFSMDMCTUIBVAP-PMUMKWKESA-N 417.890 -0.058 50 20 HBGD C[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](N)CCC(N)=O)CCO2)C1 1783532665 MHNIKLBBVFFXSG-ZETOZRRWSA-N 405.293 -0.808 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)CSc3nc[nH]n3)CCO2)C1 1783878942 LMQJOKMYVKPIBU-NHYWBVRUSA-N 403.892 -0.020 50 20 HBGD C[C@@H](Cn1cccn1)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783936493 OJVOTCSYGPUPRJ-OXJNMPFZSA-N 420.514 -0.278 50 20 HBGD CC(=O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1784333822 SOESWTBDSMJXMA-SZMVWBNQSA-N 416.283 -0.425 50 20 HBGD C=CC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1788758209 XRMIQNSZTFNRNP-UGUYLWEFSA-N 423.514 -0.970 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCCC3)C[C@@H]21 1791292242 KEEPXAVDUIOZIW-BZSNNMDCSA-N 423.558 -0.175 50 20 HBGD C[C@H](NC(=O)c1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792984223 ZRSCDTQGXNBIHD-RKOFLFEYSA-N 423.897 -0.006 50 20 HBGD COc1nn(C)cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796188345 SDCRCXNDSJGWSW-MUJYYYPQSA-N 412.255 -0.326 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(O)nn1)C2 1798440830 XMUYWVFUDYVTJD-ZSBIGDGJSA-N 411.422 -0.254 50 20 HBGD Cc1noc(C)c1CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801010541 FJUDCZRVWZSWDR-YVWYUNDQSA-N 421.498 -0.203 50 20 HBGD CCNC(=S)NCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCC(=O)NN(C)C)C2 1801244087 IVYZAMNNBDRQQT-BTTYYORXSA-N 412.560 -0.518 50 20 HBGD C[C@@]1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)CC1(F)F 1802000162 OSKVACAUERDPQK-HRJSJKBJSA-N 408.210 -0.385 50 20 HBGD CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)CC1 1834622886 QUXUXKCPPGLEQZ-HXUWFJFHSA-N 402.256 -0.764 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)C3CCCC3)C2)C1 1835935037 CPQMMLAZHFNSRC-NRFANRHFSA-N 416.283 -0.373 50 20 HBGD O=C1C[C@H](C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)CN1 1839202751 OVENVUIQDXJBSZ-ITDIGPHOSA-N 422.251 -0.731 50 20 HBGD O=C1C[C@H](C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)CN1 1839202754 OVENVUIQDXJBSZ-WBIUFABUSA-N 422.251 -0.731 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccnc3C)C2)C1 1840155505 DPQREHMEZFEQDI-MAUKXSAKSA-N 414.890 -0.098 50 20 HBGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185808 XSMLYGWJAAHPPN-KSSFIOAISA-N 418.922 -0.167 50 20 HBGD COC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1840321867 QJMBOIWPERTEQC-XHDPSFHLSA-N 422.276 -0.418 50 20 HBGD CCC(CC)NC(=O)C(=O)NNC(=O)CNC(=O)c1c[nH]c2ccccc2c1=O 740851175 TUSNBXRYWSFKQZ-UHFFFAOYSA-N 401.423 -0.290 50 20 HBGD COc1ccccc1-n1cc(S(=O)(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cn1 743250258 CMWVTSURGDNDMQ-NSHDSACASA-N 414.465 -0.375 50 20 HBGD CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NNC(=O)c2cccn2C)c1 747599320 RLSAJYRHIWXTOE-UHFFFAOYSA-N 409.468 -0.322 50 20 HBGD COCCS(=O)(=O)c1ccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1 756556998 ZHHXJGUXCDDXAE-JTQLQIEISA-N 422.485 -0.803 50 20 HBGD COc1cc2c(cc1C=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)OCO2 758870354 WMIVMRFGZJNLEB-UHFFFAOYSA-N 407.408 -0.541 50 20 HBGD CCOC(=O)CNC(=O)[C@H]1COCCN1CC(=O)NNC(=O)c1cccc(C)c1 781905814 SBQUOYWWLRLIKE-OAHLLOKOSA-N 406.439 -0.864 50 20 HBGD O=C(O)c1cc(S(=O)(=O)NNC(=O)[C@@H]2CCc3nncn3C2)cc(F)c1F 793445885 BTGRTMAPWNFNTG-SSDOTTSWSA-N 401.351 -0.173 50 20 HBGD C[C@H](C(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1)n1cnc(C#N)n1 798972274 FDYLFTUDNOAODR-GFCCVEGCSA-N 405.440 -0.125 50 20 HBGD Cc1ccc(C(=O)NNC(=O)COC(=O)C(=O)c2cc(S(N)(=O)=O)cn2C)cc1 803861963 OLTAIMMYXNCQOJ-UHFFFAOYSA-N 422.419 -0.832 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC=O)C2)C1 1781244182 AHNXWGBQNPJRQE-KFFMJTPYSA-N 418.454 -0.915 50 20 HBGD C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)[C@H](F)Br)CCO2)C1)n1cnnn1 1784596674 CAYYLSYYAKAGEF-NRUUGDAUSA-N 405.228 -0.246 50 20 HBGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCOCC3)C[C@@H]21 1791251511 KSKYONXTONACOB-QAETUUGQSA-N 417.934 -0.058 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@](C)(O)CC(=O)O)[C@H]2C1 1791287115 IPCAKTFGBHEAHW-BXTPVMGZSA-N 420.890 -0.164 50 20 HBGD Cc1cc2nnc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@@H](O)CCl)c(C)n2n1 1792978144 GFDUFJPLIOTICD-ZWUHOBOKSA-N 422.873 -0.456 50 20 HBGD C[Si](C)(C)OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H]1NC(=O)NC1=O 1793943718 ZXWBDDZELOCTTJ-OXIQGZBJSA-N 412.519 -0.974 50 20 HBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Cl 1796366211 JYGRMUSZEJRPNN-ITGHMWBKSA-N 408.810 -0.395 50 20 HBGD N=C(N)SCC(=O)N1CCCC2(CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1 1809634731 FIUHVIMTELQRBF-UHFFFAOYSA-N 418.328 -0.162 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)Cn3cnnn3)sc2C1 1815691106 GDZZUAGLDGSKCA-SNVBAGLBSA-N 421.487 -0.885 50 20 HBGD COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cn1 1831943436 OLNXJPRHGZKNPZ-RDTXWAMCSA-N 413.858 -0.240 50 20 HBGD CC(=O)N[C@@H](C)C(=O)N1CCCC12CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1846003800 WVGCVWMLJDJHLM-GLXUHCQUSA-N 402.455 -0.152 50 20 HBGD CCS(=O)(=O)CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 727943257 HDUQCXUAQHTBKI-UHFFFAOYSA-N 406.486 -0.684 50 20 HBGD COc1cccc(NCC(=O)NNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c1 728206063 SQGUWSLAALUJCN-JSGCOSHPSA-N 424.479 -0.710 50 20 HBGD Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 732307495 HLWPHTHFHJTEHP-NWDGAFQWSA-N 403.482 -0.756 50 20 HBGD O=C(CCNS(=O)(=O)/C=C/c1ccccc1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 732308054 SEHINCRERYMQQH-DPQIITEBSA-N 415.493 -0.451 50 20 HBGD CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)C(=O)N2CCCC2)c1 748246449 KPYYVMVBDGYXOW-UHFFFAOYSA-N 402.860 -0.026 50 20 HBGD CN(C)S(=O)(=O)c1cc(C(=O)NNC(=O)C(=O)N2CCCC2)ccc1Cl 748247436 OEDODFHMQRBDEO-UHFFFAOYSA-N 402.860 -0.026 50 20 HBGD COc1nccnc1NNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 764471422 UKWICYPKUVZFCG-UHFFFAOYSA-N 406.424 -0.637 50 20 HBGD COC(=O)CCc1cccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)c1 786426573 LEKQRMFDMQVWKR-UHFFFAOYSA-N 416.390 -0.099 50 20 HBGD CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)=NO1 798929573 WTBDOEWFCVSZQR-ZJUUUORDSA-N 419.460 -0.827 50 20 HBGD CN(C)CCN1C[C@H](C(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)CC1=O 802065493 CAVCVHWXHUMGEC-GFCCVEGCSA-N 411.484 -0.347 50 20 HBGD Cc1cccc(C(=O)NNC(=O)COC(=O)C(=O)c2cc(S(N)(=O)=O)cn2C)c1 803862062 RTRLMIOYHVIHRV-UHFFFAOYSA-N 422.419 -0.832 50 20 HBGD CN(C)c1c(C=NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)c(=O)n(C)c(=O)n1C 807973698 IFSAOEJRLGCLIU-UHFFFAOYSA-N 422.467 -0.291 50 20 HBGD C[C@@H]1CN(CCC(=O)NNC(=O)C(=O)N2CCN(c3ccccc3)CC2)C[C@@H](C)O1 812452616 ZHSLGWWGQNPHCU-IAGOWNOFSA-N 417.510 -0.018 50 20 HBGD CCn1nc(C(=O)NNC(=O)N[C@H]2CCCS(=O)(=O)C2)c2ccccc2c1=O 1323844600 JEDZRDDJYKOMLK-NSHDSACASA-N 407.452 -0.062 50 20 HBGD CC(C)(C)[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1784024472 RYLVUKIPNROTAH-LEUOFYLZSA-N 418.299 -0.633 50 20 HBGD Cc1nccn1[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1784638144 BIDSGDBNFNAKNA-QRWLVFNGSA-N 420.514 -0.045 50 20 HBGD CCN1CCC(C(=O)N2CC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)CC1 1785647257 JEIQLHGPZKSGQT-NRFANRHFSA-N 423.558 -0.079 50 20 HBGD Cc1noc(C)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801009369 ATPBVNJULDISGI-ZSBFGKGUSA-N 407.471 -0.132 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCCn1ccnc1)C2 1801012412 XWISDYYNBDUBPZ-CWPLJXCYSA-N 420.514 -0.374 50 20 HBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCn1ccnn1 1803024053 CFESUAIZGIAFKN-BTTYYORXSA-N 412.454 -0.381 50 20 HBGD CC(=O)NCC(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826089436 DPWYKQCGELNILM-NSHDSACASA-N 410.500 -0.436 50 20 HBGD CCCNC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1831193633 XZMRGVHXBLEHJA-KSSFIOAISA-N 419.906 -0.651 50 20 HBGD O=C1NC(=O)[C@@H](CC(=O)N2CCC(N3CCC(NC(=O)[C@H](F)Cl)CC3)CC2)N1 1835078554 LYPRIDFLPTYNLH-OCCSQVGLSA-N 417.869 -0.310 50 20 HBGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](COC)NC(C)=O)CCO2 1837733860 HYGYFFBKGDHFSB-MPGHIAIKSA-N 419.906 -0.389 50 20 HBGD CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)no1 1838121750 FVPMBTNPZDLCFV-YOEHRIQHSA-N 401.847 -0.093 50 20 HBGD O=C([C@@H](F)Br)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1 1839200324 FZHKXGQPTLBHPW-NWJSVONSSA-N 409.252 -0.096 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)[C@@H]3CCN(C)C(=O)C3)cc2)CC1 728215356 YCGBYLMGDPSRHK-CQSZACIVSA-N 409.512 -0.066 50 20 HBGD COC(=O)c1cc(OC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)ccc1[N+](=O)[O-] 732652838 SFDIAQMEXXLWRV-UHFFFAOYSA-N 417.334 -0.266 50 20 HBGD C[C@H](C(=O)N(C)CC(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1)n1cccn1 744842444 MYSMMRQKGJWIKS-CYBMUJFWSA-N 412.406 -0.221 50 20 HBGD NS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)cc1 748569698 YQQNKKUFINIOAJ-CQSZACIVSA-N 404.404 -0.576 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2nc(C)c(C)[nH]c2=O)cc1 763461841 FTRDVFWEGIJNEC-UHFFFAOYSA-N 407.452 -0.223 50 20 HBGD Cc1n[nH]c(C)c1S(=O)(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765119137 QSPFOANYCVXEOD-UHFFFAOYSA-N 420.495 -0.206 50 20 HBGD C[C@@H]1CCCN(C(=O)C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)C1 768068812 ABHRITMNGMRVSZ-MRXNPFEDSA-N 415.494 -0.150 50 20 HBGD CCn1c(=O)c2ccccc2n(CC(=O)NNc2nc(O)c3cnn(C)c3n2)c1=O 770971511 JVJYLBQLDHUQFW-UHFFFAOYSA-N 410.394 -0.291 50 20 HBGD Cc1nc(S(=O)(=O)NCC(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)cn1C 772068984 ANDYPZJICOAKQD-JTQLQIEISA-N 403.461 -0.868 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1C[C@@]12CCN(C(=O)OC(C)(C)C)C2 781920617 PCJULARRQJJIPZ-XMZIXOGTSA-N 404.489 -0.281 50 20 HBGD Cc1cccc(C(=O)NNC(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)n1 793219875 HWHPNONAZSOIGV-UHFFFAOYSA-N 408.440 -0.120 50 20 HBGD CC(C)[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CNC(=O)OCc1ccccc1 794063282 JYGHORPAMSIYQH-CQSZACIVSA-N 400.457 -0.366 50 20 HBGD CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NNc2nccc(OC)n2)c1 914762803 KZELLWMRRFWKLD-UHFFFAOYSA-N 410.456 -0.179 50 20 HBGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)c2csc(S(N)(=O)=O)c2)c1 915596526 SIMOTBHKMOIBRL-UHFFFAOYSA-N 403.463 -0.126 50 20 HBGD CNC(=O)NNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 919877911 LYEDDXPVQHPULE-UHFFFAOYSA-N 411.484 -0.432 50 20 HBGD CN1C(=O)N(CC(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)C(=O)C12CCCCC2 919889933 XCIONAXPZOLVHN-LLVKDONJSA-N 415.472 -0.899 50 20 HBGD COc1ccccc1N1C[C@H](C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)CC1=O 919890067 ZKEIQYUCXAKZJP-NEPJUHHUSA-N 410.452 -0.434 50 20 HBGD CN(C)N(C(=O)c1nc(S(C)(=O)=O)n2ccccc12)[C@H]1CCS(=O)(=O)C1 1117717665 SVDOOKDWWFMQLH-NSHDSACASA-N 400.482 -0.156 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(CN(C(=O)CCc3cn[nH]c3)CCO2)C1 1783933617 RYFVYZXAFMBBSZ-LJQANCHMSA-N 406.487 -0.455 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccnc(Cl)n1)CCO2 1783934678 KNBKVRQWAWZMEX-SFHVURJKSA-N 424.889 -0.054 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(=O)oc3)C[C@@H]21 1791288888 ZVJWHZIWSSWESU-BPUTZDHNSA-N 420.466 -0.394 50 20 HBGD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2)n1ccnc1 1793145939 NWSKLTJWXPYNQB-AFIMGQEJSA-N 406.487 -0.593 50 20 HBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=CCCS1)C2 1797748560 ILPCLZAORBHARH-DRXBFXEBSA-N 417.491 -0.091 50 20 HBGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)n1cnnn1 1801439143 UORXOCUSKRMEEL-MJDLHHQISA-N 401.265 -0.393 50 20 HBGD CC[C@H](O)C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1803000169 IMJQKLWZWPTHEH-NZSAHSFTSA-N 411.267 -0.148 50 20 HBGD CN(C)CC(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1806454752 LIQUUSIIJAAQCV-YLJYHZDGSA-N 410.283 -0.357 50 20 HBGD CNC(=O)CC(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807363295 CVDYFQDADRVGAL-OXQOHEQNSA-N 424.266 -0.783 50 20 HBGD CN1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)C1 1822999156 KEMKRZSMMXSZDH-QGZVFWFLSA-N 411.271 -0.043 50 20 HBGD O=C(c1ccn(C(F)F)n1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830732785 VUSHUUZSGOCIGY-MLGOLLRUSA-N 422.816 -0.052 50 20 HBGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@@H]3NC(=O)NC3=O)CCO2)C1 1832697573 OTPHHBUHGFRQDS-NVGCLXPQSA-N 416.862 -0.942 50 20 HBGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCN(C)CC3)CCO2)C1 1836675736 GKDUUJOYUUHGDZ-QFBILLFUSA-N 416.950 -0.292 50 20 HBGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(N)=O)C2)C1 1839967146 CCTNKTJRNXXQSY-IAQYHMDHSA-N 421.292 -0.715 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1840184136 UWSUHVHFHPWHPX-ZBFHGGJFSA-N 408.858 -0.650 50 20 HBGD CCS(=O)(=O)CC(=O)N1CCCC12CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1841585467 DSESNBOSNNEGKW-DEDYPNTBSA-N 423.495 -0.242 50 20 HBGD C[C@H](CBr)C(=O)N1CC2(CCCN2C(=O)C[C@@H]2NC(=O)NC2=O)C1 1841957924 MSOBYQPJATVZBX-ZJUUUORDSA-N 401.261 -0.181 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 729275737 RCPZFBXPWGQUQC-HDPALTEOSA-N 414.528 -0.206 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCOC[C@H]2CCOC2)c1 731763038 QUOHAIYQRQRMIK-ZDUSSCGKSA-N 414.484 -0.066 50 20 HBGD O=C(NCCS(=O)(=O)NC[C@H]1CCCCO1)NNc1ccc(-n2cccn2)nn1 732473812 BREVYCUKZIEMKR-CYBMUJFWSA-N 424.487 -0.223 50 20 HBGD CS(=O)(=O)N1CCC[C@@H]1CNC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O 753115305 LPNXEBLHWSFKOI-CYBMUJFWSA-N 422.467 -0.054 50 20 HBGD CCc1c(C(=O)NNc2cc(Cl)nc(N)n2)cnc2c1c(=O)n(C)c(=O)n2C 753455332 PWBGKKBWUBKVDW-UHFFFAOYSA-N 404.818 -0.023 50 20 HBGD COC(=O)CN(CCN1CCOCC1)CC(=O)NNC(=O)c1cccc(C#N)c1 756525820 PYQGKMJQOWGSIC-UHFFFAOYSA-N 403.439 -0.874 50 20 HBGD C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)C2=O 756871633 ULACWOAQFQHEGP-UTUOFQBUSA-N 414.484 -0.685 50 20 HBGD NS(=O)(=O)N1CCC(C(=O)NNC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)CC1 763173660 QBMMRCKJLOQFPD-UHFFFAOYSA-N 410.431 -0.108 50 20 HBGD C[C@H]1CN(C(=O)c2ccc(NC(=O)C(=O)NNC(=O)CN(C)C)cc2)C[C@@H](C)O1 764203307 HKRCHXROKSLRDY-BETUJISGSA-N 405.455 -0.417 50 20 HBGD O=C(CO)NNC(=O)C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1C(F)(F)F 764421688 QLKCGRCPQXBEKB-NSHDSACASA-N 418.328 -0.099 50 20 HBGD Cc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765730931 QAMXQWIBMMIMFE-UHFFFAOYSA-N 415.366 -0.888 50 20 HBGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)Cc3nc4ncccn4n3)CC2)cc1 766640427 GEUGTFSSABWULZ-UHFFFAOYSA-N 422.493 -0.060 50 20 HBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1 772160600 PJMZRXURDFQJDU-LLVKDONJSA-N 413.452 -0.349 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)cc1 801108939 VVJYDOGMOVDLDI-UHFFFAOYSA-N 424.417 -0.351 50 20 HBGD O=C(Cn1cnc2ccccc21)NNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 915188410 LLRAUZRHDTVDIE-CHWSQXEVSA-N 419.463 -0.781 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(CN(C(=O)CCN3CCCC3)CCO2)C1 1783939801 LWSQBBFQAVFGAR-FQEVSTJZSA-N 409.531 -0.325 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn4cccnc4n3)C[C@@H]21)[C@@H](O)CCl 1784092604 NNMSUGZHLHBFBH-JURCDPSOSA-N 407.858 -0.078 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnsn3)C[C@@H]21)c1ccc(B(O)O)cc1 1786980119 KWLQWLUSXXCELO-NOLJZWGESA-N 416.268 -0.875 50 20 HBGD Cn1cncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984377 BKPWSFOQLUNQPW-ZVZYQTTQSA-N 412.255 -0.993 50 20 HBGD C[Si](C)(C)OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@H](N)C(N)=O)C[C@@H]21 1788763862 ASGGMPCABIVKFE-AJNGGQMLSA-N 414.579 -0.590 50 20 HBGD CC(C)(C)[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1792916224 JJSUQVIORYYIJH-VZAMPYOESA-N 419.482 -0.705 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCBr)c1cc(=O)n2[nH]nnc2n1 1795492010 AITZZINBCNYQRX-ILWJIGKKSA-N 424.259 -0.151 50 20 HBGD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1)n1ccnc1 1795732732 DTKLQPAZUXJKBL-SCNOPHJPSA-N 412.255 -0.973 50 20 HBGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H](O)CN1 1799143364 RLLUVBBROVVGKR-ZFSZKFIGSA-N 404.305 -0.528 50 20 HBGD CC(=O)C[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1800936821 YINPWGBKNIHSRX-GMLZMKKNSA-N 402.256 -0.815 50 20 HBGD Cc1[nH]nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)c1F 1801009634 VEKHOYAHUXIJFV-DRXBFXEBSA-N 410.450 -0.567 50 20 HBGD O=C(NC[C@@H]1CCN(C(=O)[C@H]2C[C@@H](O)C2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374181 FDGGQAQKHVBOJO-RAUXBKROSA-N 423.278 -0.148 50 20 HBGD Cn1cnc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)n1 1817473515 YBCWVBXNYNBCQZ-OAHLLOKOSA-N 423.242 -0.162 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)n[nH]3)CCO2)C1 1835858757 JXRQFHILXOETPO-BDJLRTHQSA-N 402.835 -0.561 50 20 HBGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc[nH]n3)CCO2)C1 1836345543 FNULQXRQGWFDNF-ABAIWWIYSA-N 416.276 -0.094 50 20 HBGD O=C(/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1)NC1CC1 1837250903 SVSSSBPZNQJPIH-MXTKCAFNSA-N 403.838 -0.188 50 20 HBGD O=C(CCn1cncn1)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840190935 WEIDHTXGJVBNKY-HNNXBMFYSA-N 406.270 -0.072 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1=COCCC1)CCO2 1840217723 PKEZTRRTRQRBTP-HXUWFJFHSA-N 424.498 -0.490 50 20 HBGD O=C(c1cnn2c1OCCC2)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012274 WXLXDLSYCSQCRE-UHFFFAOYSA-N 410.239 -0.524 50 20 HBGD O=C(CNC(=O)c1cccs1)NNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 728714876 BXKNLTWJDDTHKP-UHFFFAOYSA-N 422.511 -0.541 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc(Br)c2c(c1)OCCO2 729277182 UOFCADSFRLWVFD-SSDOTTSWSA-N 422.257 -0.081 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cc1C 743820882 HAMVSXNMMYEGOX-RRCSTGOVSA-N 414.418 -0.448 50 20 HBGD O=C(CCNS(=O)(=O)c1cccc(Cl)c1)NNC(=O)C(=O)N1CCCC1 748246985 IVZOELACEBYVFT-UHFFFAOYSA-N 402.860 -0.222 50 20 HBGD C[C@H](NC(=S)NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)C1CC1 751619120 UBPSISJTWIAVHQ-NSHDSACASA-N 415.541 -0.047 50 20 HBGD COc1cc(OC)cc(C(=O)NNC(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)c1 753092750 GWLGBZQONSMIKQ-LLVKDONJSA-N 400.457 -0.071 50 20 HBGD Cc1c(NC(=O)[C@H](C)SCC(=O)NNC(=O)CO)c(=O)n(-c2ccccc2)n1C 753442550 HZCIJILHBMOJJA-LBPRGKRZSA-N 421.479 -0.316 50 20 HBGD COc1ccc(CCC(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)cc1 755726928 WYIZZFNVCYDOMY-GFCCVEGCSA-N 409.468 -0.124 50 20 HBGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1cc(C(=O)O)ccc1O 757458949 ATHXVTOTHQDFTH-UHFFFAOYSA-N 407.408 -0.485 50 20 HBGD CNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)c2ccc(C#N)cc2)c2ccccc2O1 764177441 NWVCDPKBOLNPDO-INIZCTEOSA-N 407.386 -0.141 50 20 HBGD CCOCC(=O)NNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC 764317916 SUTYWLXXCUUIKK-UHFFFAOYSA-N 402.429 -0.932 50 20 HBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)C1(C(=O)NC2CC2)CC1 766648133 HILMATRRNYVWLB-UHFFFAOYSA-N 413.478 -0.349 50 20 HBGD Cn1cc(/C=C/C(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)c(=O)n(C)c1=O 772187802 FZULNBKSZDRKAL-VMPITWQZSA-N 419.825 -0.786 50 20 HBGD COc1nc(Br)ccc1NC(=O)C(=O)NN[C@]1(C)CCS(=O)(=O)C1 789590046 PRJHFFIXOHIFED-CYBMUJFWSA-N 421.273 -0.011 50 20 HBGD CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)NNC(=O)CNC(=O)c2ccco2)C1 805043127 DQVCPKGRWNXQJP-NSHDSACASA-N 401.445 -0.894 50 20 HBGD O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NNC(=O)c1ccc(-n2cnnn2)cc1 913155958 KJTZDKHGNGZGPG-GJZGRUSLSA-N 411.422 -0.011 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ncccn1 1786107072 NOKXLJAWTFUFCV-XIRDDKMYSA-N 410.239 -0.937 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@]3(F)Cl)C[C@@H]21)c1cccc(B(O)O)c1 1786986630 SDURTZWOWWOVNS-DOQDNZIXSA-N 424.665 -0.116 50 20 HBGD O=C1C[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCBr)C[C@@H]32)CN1 1790859016 HAGTWADRHKASRX-RNJOBUHISA-N 402.289 -0.113 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCC(O)CC1)C2)c1ccc(B(O)O)cc1 1795736970 SHQFTAPITDJLIN-MFYDLUHHSA-N 416.283 -0.879 50 20 HBGD COc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)n(C)n1 1796190891 YSAAKOGJBUAEIM-MUJYYYPQSA-N 412.255 -0.326 50 20 HBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnc1C(N)=O)C2 1800974185 PEXVDIQWYJWTFO-XCCSTKFXSA-N 410.858 -0.363 50 20 HBGD CSCC[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801012150 IPRGCVTZUXLGAJ-LOUJCGABSA-N 416.544 -0.937 50 20 HBGD CC(C)N1CCC[C@H]1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830738795 SZRQKTGBHVSACE-TXPKVOOTSA-N 417.934 -0.085 50 20 HBGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H](NC)C(=O)O)C2)C1 1831647775 YMVAGBOQZBBTKD-IYOUNJFTSA-N 419.906 -0.087 50 20 HBGD Cn1nncc1C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1833232321 PQKBNHLACPYAOH-KRWDZBQOSA-N 411.535 -0.263 50 20 HBGD O=C(c1cc(O)n[nH]1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1835857345 XLKIJDVHPTUFAJ-SMDDNHRTSA-N 421.223 -0.124 50 20 HBGD O=C(Cn1ccnn1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1836211086 VXUXLABRGAWXBN-OCCSQVGLSA-N 420.239 -0.575 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1838773831 GEWJLSCZFIRZDX-UHFFFAOYSA-N 422.482 -0.554 50 20 HBGD O=C1NC[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H](F)Br)CCO3)C2)O1 1839198813 OAKPAKOEHBIEIM-IMSIIYSGSA-N 424.223 -0.758 50 20 HBGD C[C@@H]1C[C@@]1(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840184845 CQZSDIAUQAETDB-CDHQVMDDSA-N 410.515 -0.138 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2nccc3nc[nH]c23)C1 1843291184 QTWWWFINQYRTEG-UHFFFAOYSA-N 405.223 -0.232 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2cnn3ncccc23)C1 1843308415 QPNXKXFWQIWENC-UHFFFAOYSA-N 405.223 -0.460 50 20 HBGD CNc1nsnc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(B(O)O)c1 1847261097 UPXAQKNKCNLLBQ-STQMWFEESA-N 401.257 -0.611 50 20 HBGD Cc1nc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2ccc(B(O)O)cc2)c(=O)[nH]c1C 1848321936 SOEXAJXXTRKEEN-HOTGVXAUSA-N 410.239 -0.804 50 20 HBGD Cc1nnc(NNC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)[nH]c1=O 11548262 CFUISRKWZQOFSL-UHFFFAOYSA-N 407.184 -0.025 50 20 HBGD Cn1nc(SCC(=O)NN=Cc2cnn(-c3ccccc3)n2)c(=O)n(C)c1=O 730569939 CEDWZZQUWYFIRI-UHFFFAOYSA-N 400.424 -0.698 50 20 HBGD N#Cc1cccc(C(=O)NNC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)c1 732247340 IZDQERXCLLIQEH-OAHLLOKOSA-N 409.468 -0.009 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)Cn1c(S)nc2ccccc2c1=O 746689360 PGFUKNLAVAUUPG-UHFFFAOYSA-N 401.404 -0.144 50 20 HBGD CCNC(=O)COc1cccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 755655703 LARXIFNVSDWZIH-SNVBAGLBSA-N 401.445 -0.708 50 20 HBGD Cc1cccc(O[C@H](C)C(=O)NNC(=O)CNS(=O)(=O)c2cn(C)cn2)c1C 756036689 ITJXXWKDQGWYFK-CYBMUJFWSA-N 409.468 -0.070 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CCNS(=O)(=O)/C=C\c1ccccc1 758036827 VYMHEFFKPUFHTD-MMRAYRKESA-N 418.497 -0.948 50 20 HBGD Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)c1 763597642 QXAWVMLTHSTDMG-LBPRGKRZSA-N 414.484 -0.562 50 20 HBGD COC(=O)CCN(C)S(=O)(=O)N1CCN(S(=O)(=O)CBr)CC1 767851831 VVMAPAFHCDHUGQ-UHFFFAOYSA-N 422.323 -0.974 50 20 HBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 771984738 KMOHGXIARILJEZ-JTQLQIEISA-N 405.411 -0.629 50 20 HBGD NS(=O)(=O)c1cc(C(=O)NNC(=O)c2cccn3c(O)nnc23)ccc1Cl 780855822 VIYNMQSRMHIARY-UHFFFAOYSA-N 410.799 -0.190 50 20 HBGD COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)cc1 792854070 IOTGTKQXLGXAPU-QWHCGFSZSA-N 419.525 -0.146 50 20 HBGD COC(=O)c1cc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)n(C)c1C 800809639 DPBSSWFAJPJJCE-UHFFFAOYSA-N 408.440 -0.845 50 20 HBGD O=C(CSCc1cc(=O)n2ccsc2n1)NNC(=O)[C@H]1CCS(=O)(=O)C1 1317894767 RIKNCJAWLQWBQD-VIFPVBQESA-N 416.506 -0.429 50 20 HBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCC1(S(C)(=O)=O)CC1 1324976973 UPGGCMJFEYOJBW-UHFFFAOYSA-N 417.513 -0.191 50 20 HBGD Cc1nc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)co1 1779030932 KJCMLLJFOXZSIO-LJQANCHMSA-N 414.422 -0.261 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC=O)C2)C1 1781244179 AHNXWGBQNPJRQE-CRKGLEMHSA-N 418.454 -0.915 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1nc[nH]c1[N+](=O)[O-])CCO2 1783934699 KMWPRNRNYHPMMH-QGZVFWFLSA-N 423.430 -0.866 50 20 HBGD CC[C@@H](C)[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786980109 JVESXVNHLUFWKR-ZAMIHWKFSA-N 418.299 -0.633 50 20 HBGD CC1=C(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)CCO1 1786984402 KLLWQNUFIJBZPT-SNRMKQJTSA-N 414.267 -0.346 50 20 HBGD COc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)CCl)C[C@@H]32)nn1C 1789399002 CKFWSMQDWRWXFX-VTPLQMEGSA-N 400.863 -0.378 50 20 HBGD CC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1789860382 RDINFDPDWMVAAU-LLLHUVSDSA-N 408.691 -0.023 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C)COC1 1792618398 BQADWZUXRBYKLE-HKPRQCBYSA-N 417.466 -0.254 50 20 HBGD CN(C)C(=O)NCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1792700822 NRTMZGVSYRPPTA-CLLJXQQHSA-N 417.470 -0.792 50 20 HBGD C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1793352769 LAHCFRSJSMRNKW-CWPLJXCYSA-N 410.515 -0.068 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)n1)c1cccc(B(O)O)c1 1796798408 GCHXNRBNKFRWNI-BTTYYORXSA-N 412.211 -0.867 50 20 HBGD O=C(CCc1ccoc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1801484236 AZRWLMRSBYRVMC-XEMDLRDOSA-N 412.251 -0.205 50 20 HBGD NC(=O)CC[C@H](N)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](O)CCl)[nH]n1 1817245255 JFAHSLBINPKMFO-DLOVCJGASA-N 400.867 -0.406 50 20 HBGD CCOC(=O)/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830724986 KRQSPRZGPOMQMA-ZIWYEXBPSA-N 404.847 -0.838 50 20 HBGD Cn1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)CO[Si](C)(C)C)C3)C2)n1 1833881337 QTEXNUIJRFCJCR-KRWDZBQOSA-N 411.535 -0.263 50 20 HBGD O=C(c1nc[nH]n1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1836350474 CRHQZLBAUSBAIZ-TVQRCGJNSA-N 406.212 -0.435 50 20 HBGD O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837440429 INPWVEMQKXMONQ-WLJAYZHCSA-N 416.906 -0.486 50 20 HBGD COCc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1 1838511949 AQPXLVGWXGOYKG-QAPCUYQASA-N 415.874 -0.169 50 20 HBGD CC[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NC=O)CCO2 1839166196 ICCWDWKWTUJYAG-DVOMOZLQSA-N 420.304 -0.249 50 20 HBGD O=C(CSc1n[nH]c(=O)[nH]c1=O)NN=C1CCS(=O)(=O)c2ccc(F)cc21 18883685 CAHKILCASXSGCQ-UHFFFAOYSA-N 413.412 -0.613 50 20 HBGD COc1ccc(NC(=S)NNC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cn1 743823601 SZAMRIOFGXOTMC-DMTCVQMQSA-N 405.436 -0.430 50 20 HBGD CN(C)CCN1C[C@@H](C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)CC1=O 746096757 MAJYSWZZHGQAHA-LBPRGKRZSA-N 400.439 -0.895 50 20 HBGD CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)C1 748530731 ZSQBCUOMFBGOOH-BONVTDFDSA-N 408.452 -0.147 50 20 HBGD CCOC(=O)COc1cccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 755654166 DXCUOHMPWMTPOS-SNVBAGLBSA-N 402.429 -0.281 50 20 HBGD Cc1cc(C)cc(OCC(=O)NNC(=O)C(=O)Nc2ccn(CC(=O)N(C)C)n2)c1 763644975 PFNPBAVMXLOCCD-UHFFFAOYSA-N 416.438 -0.247 50 20 HBGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1ccc(C)c(S(N)(=O)=O)c1 764135228 DALOIQQIFPFWEN-UHFFFAOYSA-N 420.447 -0.020 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(Cl)ccc1N(C)C 764231730 PKWVBXDQGPOUCJ-QMMMGPOBSA-N 405.864 -0.570 50 20 HBGD COc1cc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)ccc1C 765730571 LWHUGAIGXHWDMJ-UHFFFAOYSA-N 400.395 -0.788 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2nc3ccccc3s2)n(C)c1=O 767088838 PPPJMJKFWKMWMX-UHFFFAOYSA-N 413.419 -0.495 50 20 HBGD COC(=O)CNC(=O)NNS(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1 779847040 RFXIJNDHALBJAK-UHFFFAOYSA-N 407.408 -0.001 50 20 HBGD O=C(COC(=O)[C@]12CCC(=O)N1CCS2)NNC(=O)[C@@H]1COc2ccccc2O1 804008641 YBOMZHGZIUSQRO-SCLBCKFNSA-N 421.431 -0.418 50 20 HBGD N#Cc1cccc(S(=O)(=O)NCC(=O)NNC(=O)COc2ccccc2O)c1 810364836 JNTOPCJJTLMVBN-UHFFFAOYSA-N 404.404 -0.231 50 20 HBGD CCc1ccc(C#CC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 815827454 ZTUYYUPRWSIXII-UHFFFAOYSA-N 408.418 -0.805 50 20 HBGD COc1ccc(S(=O)(=O)CCC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 1115870735 AWDZZPMCPPUEEN-NSHDSACASA-N 404.466 -0.559 50 20 HBGD CS(=O)(=O)c1ccccc1NNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 1319198999 LDSFENZMAPROMI-RYUDHWBXSA-N 415.493 -0.431 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)COc1cccnc1)CCO2 1783933825 ZOTXSPKIXZTGDU-FQEVSTJZSA-N 419.482 -0.337 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccc(O)nn3)C[C@@H]21)[C@H](O)CCl 1784094966 XNCBHRZZESUIDV-MHEUCROKSA-N 412.874 -0.306 50 20 HBGD O=C1CC(C(=O)Nc2ccc(C3(NC(=O)c4cccc(B(O)O)c4)CCC3)cc2)=NN1 1789475721 HVLQXGJLTGDPMI-UHFFFAOYSA-N 420.234 -0.010 50 20 HBGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCOC3=O)C[C@@H]21 1791249982 VIFOVPOTVSLOFM-XUXIUFHCSA-N 403.863 -0.328 50 20 HBGD CC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NS(=O)(=O)CC 1793313850 OGVDWQULPOLTJM-PEBLQZBPSA-N 409.936 -0.079 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(F)CCC1 1801620620 JPVOFRPSMGZURZ-JJLQDPRZSA-N 405.430 -0.220 50 20 HBGD Cc1nn[nH]c1C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809967107 UPXFIHDNXWMAKP-UHFFFAOYSA-N 411.271 -0.048 50 20 HBGD NC(=O)[C@H](N)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](O)CCl)[nH]n1 1817352410 IPISHALOAQJNBJ-ADEWGFFLSA-N 400.867 -0.406 50 20 HBGD C[C@H](NC=O)C(=O)N[C@@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826088400 FUHBQBXJTBTXHQ-WDEREUQCSA-N 410.500 -0.437 50 20 HBGD O=C(c1ccnc(F)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830726917 WMAZCYGZSLJWFS-GUYCJALGSA-N 401.822 -0.110 50 20 HBGD Cn1cccc1C(=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830738585 QDBQGEOQIBHQGZ-KDOFPFPSSA-N 413.858 -0.736 50 20 HBGD Cn1nncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1833235423 MTKRMMJIDPOYRZ-FZMZJTMJSA-N 420.239 -0.424 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccco1)CCO2 1833920114 AIZPRGNJWWUITD-HXUWFJFHSA-N 414.223 -0.657 50 20 HBGD Nc1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)s1 1835839734 DJRSETYJAGFSIP-ZUZCIYMTSA-N 404.876 -0.605 50 20 HBGD Cc1c[nH]cc1C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840184139 VJUPXTKEXZEITL-FQEVSTJZSA-N 421.498 -0.234 50 20 HBGD Cc1nn(C)c(C)c1CC(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1846614029 JCBIOCMXPQUMKG-UHFFFAOYSA-N 410.283 -0.224 50 20 HBGD Cc1nc(S(=O)(=O)NCC(=O)OCC(=O)NNC(=O)c2cccs2)cn1C 727006061 IAUHYRXORXJWCD-UHFFFAOYSA-N 415.453 -0.927 50 20 HBGD NS(=O)(=O)c1cnn(CCC(=O)NNC(=O)c2cccc(OC(F)F)c2)c1 728543997 QZQJVQLRNYPGPL-UHFFFAOYSA-N 403.367 -0.017 50 20 HBGD O=C(CNC(=O)c1cccs1)NNC(=O)CSc1nnnn1CC(F)(F)F 729949005 QPDKKSDBLPEQDN-UHFFFAOYSA-N 423.402 -0.034 50 20 HBGD O=C(CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NNC(=O)COc1ccccc1O 742654203 TYHLIHRFBZIOAE-BQGCOEIASA-N 403.391 -0.529 50 20 HBGD O=C(CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)c1cnn(-c2ccccc2)c1 742670725 AAQOFKUPYYBNIH-SRABZTEZSA-N 409.402 -0.204 50 20 HBGD Cc1cc(N2CC[C@H](NC(=O)NNC(=O)CNC(=O)c3ccco3)C2=O)n(C)n1 743576850 KNPGRRIKLXTAOZ-NSHDSACASA-N 403.399 -0.813 50 20 HBGD CS(=O)(=O)N1CCC(C(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)CC1 744536098 DRISZLNEDDRNSM-UHFFFAOYSA-N 408.436 -0.466 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2coc(S(N)(=O)=O)c2)c1 757630637 YDZBIIMHMQLBBW-UHFFFAOYSA-N 416.437 -0.748 50 20 HBGD COC(=O)COc1ccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1Cl 757739063 ZQMQHYLUHNOARI-MRVPVSSYSA-N 422.847 -0.018 50 20 HBGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1cc(Cl)ccc1OCC(N)=O 766319369 BHPYENLOEMIFSG-UHFFFAOYSA-N 420.875 -0.182 50 20 HBGD CC(C)(O)C(=O)NNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 768247984 RQQKUGIXDSMUSG-NSHDSACASA-N 411.436 -0.458 50 20 HBGD CN(C)S(=O)(=O)CCC(=O)OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 772274544 BCBPIKUXALMYLQ-UHFFFAOYSA-N 402.385 -0.820 50 20 HBGD CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)NNC(=O)CNC(=O)c2cccnc2)=NO1 802559937 HRZAAFHGDNMKFB-LBPRGKRZSA-N 420.426 -0.372 50 20 HBGD CSCc1cccnc1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 810592368 MHJHGPSNLDUQAM-UHFFFAOYSA-N 417.451 -0.847 50 20 HBGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2c(Br)nnn2C)n1 811451505 FHNAVJZNTQZAIO-UHFFFAOYSA-N 417.245 -0.111 50 20 HBGD CN(C)N(C(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1)[C@@H]1CCS(=O)(=O)C1 913126061 GDVZLKFQFIDDDU-HIFRSBDPSA-N 411.459 -0.262 50 20 HBGD COc1cccc(C[C@H](C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)n2nnnc2C)c1 915685536 BQSHSEPSHNAIRV-DZGCQCFKSA-N 422.467 -0.644 50 20 HBGD C[Si](C)(C)OCC(=O)N1CC[C@@]2(C1)CN(C(=O)C[C@H]1NC(=O)NC1=O)CCO2 1779293937 HUXWOUWBRQURMG-SJKOYZFVSA-N 412.519 -0.734 50 20 HBGD CC(C)(O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1795365929 IPTXPDVJIDYADL-DRXBFXEBSA-N 405.455 -0.951 50 20 HBGD CC(=O)NCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796893575 JAQZIWQEBWZVPB-NHDOHCAUSA-N 402.455 -0.105 50 20 HBGD CC[C@@H](C)[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797748665 QQURPFVAUZZFLZ-XRQSXFTLSA-N 419.482 -0.705 50 20 HBGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1800973788 GUBMIDLUHKKUIT-NDPMZMCLSA-N 415.834 -0.365 50 20 HBGD NC(=O)[C@H](N)CCC(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1 1807192700 XHDHAWDBQVKWOB-KNCOVGOOSA-N 411.890 -0.720 50 20 HBGD CCc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)nn1C 1830731778 MOFPLAWMHLAILT-YJBOKZPZSA-N 414.890 -0.348 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)CSC(=N)N)C2)C1 1837711853 UBSMLHJGULBJQG-INIZCTEOSA-N 418.592 -0.079 50 20 HBGD C[C@@H](CN)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837829602 HDLSVDIWRBWMQO-HNNXBMFYSA-N 417.315 -0.427 50 20 HBGD CN1CCC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)C1 1839062392 AGPWSNDWLNIPLK-DAYGRLMNSA-N 403.907 -0.616 50 20 HBGD C[C@@H]1C[C@@]1(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839086819 IDTGFNZBAOFKKW-LPTQZCDUSA-N 416.283 -0.518 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC=CO3)C2)C1 1840185656 RWVSAHXKJMKUAW-OXJNMPFZSA-N 424.498 -0.492 50 20 HBGD CC(=O)Nc1cc(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)ccn1 1843011241 IDCLIGLBLXSDEU-UHFFFAOYSA-N 422.250 -0.149 50 20 HBGD O=C(NCCn1cncn1)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 726710139 SNJSOEZZGQUNJO-UHFFFAOYSA-N 407.456 -0.293 50 20 HBGD C[C@H](C(=O)N(C)CC(=O)NNC(=O)C1CCN(c2ncccn2)CC1)n1cccn1 728889946 JJICCMFZVZOMPV-CQSZACIVSA-N 414.470 -0.244 50 20 HBGD COCCOC(=O)c1c(C)[nH]c(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1C 729274243 HIAQQWZHRVRSJC-SNVBAGLBSA-N 404.445 -0.867 50 20 HBGD O=C(Cc1ccncc1)NNC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 747585623 IVNSZASPBDZZJG-UHFFFAOYSA-N 412.454 -0.517 50 20 HBGD COc1cc(C(=O)NNC(=O)Cn2cc(S(N)(=O)=O)cn2)ccc1OC(C)C 748545970 APVXSZQZOZNQAT-UHFFFAOYSA-N 411.440 -0.213 50 20 HBGD CC(=O)[C@@H]1CC(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)=NN1c1ccccc1 751362405 OTUZHRHRAXOJHF-DOMZBBRYSA-N 407.452 -0.272 50 20 HBGD COc1ncnc(N(C)C)c1NC(=O)C(=O)NNC(=O)COc1ccccc1C#N 763807866 HNVLNLNHEQQPDV-UHFFFAOYSA-N 413.394 -0.412 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1-c1ncco1 764226640 JQHDRNDHEHWCLR-SNVBAGLBSA-N 409.424 -0.326 50 20 HBGD CC(C)Oc1c(F)cc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1F 764230347 HGJMCLXSJHDOPQ-QMMMGPOBSA-N 422.410 -0.224 50 20 HBGD CC[C@@H](C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1)N1CCCC1=O 766648584 IMUIQGMDFQNIFM-KRWDZBQOSA-N 415.494 -0.007 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@H]2CCCCS2(=O)=O)cc1 771869177 VQYMDLSQAUQPDA-CQSZACIVSA-N 417.509 -0.270 50 20 HBGD O=C(CN1CCN([C@H]2CCS(=O)(=O)C2)CC1)NNC(=O)c1cccc(Cl)c1 782777429 ZTGNTZFWPLYUAY-HNNXBMFYSA-N 414.915 -0.094 50 20 HBGD CC(C)(C)OC(=O)N1[C@H](C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)C[C@H]2C[C@H]21 814620219 ILPUOPMOFFDTGK-KKOKHZNYSA-N 402.473 -0.098 50 20 HBGD C[C@@H](O)c1cn(CC(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)nn1 1116283362 ZLRCXXZBWVBLKF-GFCCVEGCSA-N 410.456 -0.504 50 20 HBGD CCc1nc(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)co1 1779701227 APSREQWVPKYZHL-FQEVSTJZSA-N 413.239 -0.326 50 20 HBGD O=C([C@H](O)CCl)N1CCO[C@]2(CCN(C(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1781050608 JRBSBXFHUUOCPE-HRLGVUPISA-N 413.902 -0.183 50 20 HBGD N=C1NCCN1CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCBr)[C@H]2C1 1786406115 SAVPMUGSYBYFAG-AVGNSLFASA-N 416.320 -0.409 50 20 HBGD O=C(CCBr)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)C3)C[C@@H]21 1786407046 CRPSZNATQGKATB-CYDGBPFRSA-N 402.289 -0.113 50 20 HBGD COCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796440836 AXPXWHOLYKBANH-MADJGSHVSA-N 405.455 -0.254 50 20 HBGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCOC1=O)C2 1800977506 AEBCLDUQIBTEIK-QVHKTLOISA-N 403.863 -0.328 50 20 HBGD C[C@H](NC=O)C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1808361770 PPHMKJSCFWDKCH-YJLNNSPDSA-N 424.266 -0.785 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCN(C)C(C)=O)CCO2)C1 1832297937 WPFONZOQTOHRKQ-QAPCUYQASA-N 419.906 -0.435 50 20 HBGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)n(C)n1 1834157697 FNXUYNWMTHVELQ-RHSMWYFYSA-N 400.863 -0.602 50 20 HBGD O=C(c1ccc(=O)oc1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1834591166 LHWOGBCFZLHAOA-SUMWQHHRSA-N 400.815 -0.691 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)c3ccc[nH]3)C2)C1 1835930738 XEROBACSGFNQKX-FQEVSTJZSA-N 413.239 -0.922 50 20 HBGD O=C1NC[C@@H](C(=O)N2CCC(OC3CCN(C(=O)[C@H](O)CCl)CC3)CC2)O1 1836714572 WWHXUJVMTPAZQH-KGLIPLIRSA-N 403.863 -0.307 50 20 HBGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(N)=O)C2)C1 1839966492 HBJPFYVASFBMJY-WBMJQRKESA-N 420.304 -0.118 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)CN2CCSCC2)C1 1841040968 ILYKQCHMCBPUDS-UHFFFAOYSA-N 418.523 -0.449 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)[C@@H](C)n1cnnn1)C2 1843417315 VYVYVHZOALBDIR-LNOXHEFASA-N 413.442 -0.429 50 20 HBGD CN1CCCC[C@@H]1C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844263351 VAOBAYHYRRQALD-MRXNPFEDSA-N 400.483 -0.014 50 20 HBGD COc1ccnc(N2CCN(CC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1 140317902 FPVCPYRMIYABBI-UHFFFAOYSA-N 415.410 -0.023 50 20 HBGD CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2cccn2C)cc1 726540338 GIQDBYDVPWLGFV-UHFFFAOYSA-N 408.436 -0.059 50 20 HBGD O=C(CNS(=O)(=O)c1ccc(Br)cc1)NNC(=O)C(=O)NC1CC1 726619541 QKHTZRDYABKUKP-UHFFFAOYSA-N 419.257 -0.847 50 20 HBGD Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(=NNC(=O)[C@H](C)NS(C)(=O)=O)CC1 728435337 YOLNPHNBCUVKKU-NSHDSACASA-N 420.517 -0.779 50 20 HBGD Cc1c(CS(C)(=O)=O)cccc1NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 756598587 UKBQKVMKBKZCDQ-JTQLQIEISA-N 406.486 -0.370 50 20 HBGD CCN(CC)CCOc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)cc1 764431730 FLOHASHXEYWLAP-INIZCTEOSA-N 408.455 -0.092 50 20 HBGD CC(C)[C@@H](C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1)N1CCCS1(=O)=O 772629335 FMOCMKNYVGDJBN-AWEZNQCLSA-N 407.456 -0.517 50 20 HBGD O=C(c1cnc2n(c1=O)CCS2)N1CCN(S(=O)(=O)CBr)CC1 777835538 ATYHCKPPZHOOHA-UHFFFAOYSA-N 423.314 -0.211 50 20 HBGD CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NN=c3cc[nH]cc3)c2)CC1 783370186 NHBGASBDHANJLF-UHFFFAOYSA-N 418.479 -0.479 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H](CCS(C)(=O)=O)c1ccccc1 790641956 NHALGOCVICSTQO-WCQYABFASA-N 405.498 -0.710 50 20 HBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)cnc1C 793387129 BDJZGKXAXRGZQS-UHFFFAOYSA-N 412.449 -0.022 50 20 HBGD CNC(=O)c1cc(Cl)cc(S(=O)(=O)NNC(=O)C(=O)NC(C)C)c1OC 795289336 BZSCSAOZAVQYFD-UHFFFAOYSA-N 406.848 -0.458 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2ccc(Br)o2)n(C)c1=O 814877127 JLSOJYCJCPFHHN-UHFFFAOYSA-N 409.200 -0.061 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@@H]2CCc3cccc(O)c32)n(C)c1=O 815827265 ROWAXVNTOYIVGR-LLVKDONJSA-N 412.406 -0.983 50 20 HBGD NC(=O)[C@@H]1CC(C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)=NN1c1ccc(F)cc1 816885202 TUTJZZVEEGVMBD-YGRLFVJLSA-N 414.401 -0.753 50 20 HBGD NS(=O)(=O)c1ccc(F)c(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 913155934 GVUQFWQDVXRXMR-UHFFFAOYSA-N 405.371 -0.476 50 20 HBGD NC(=O)[C@H](N)CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781331040 JSVIEGOVJAJNQZ-PUYPPJJSSA-N 409.256 -0.900 50 20 HBGD CN[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2)C(=O)O 1795645325 JGPXLIHMLGGKBG-SRHMGVCXSA-N 410.240 -0.671 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(F)nc1 1798044674 YLYIWSLIUCVOMF-ZSBFGKGUSA-N 407.446 -0.203 50 20 HBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CNC(=O)C1 1801676291 QVQRAMBLQAWVBV-FVCCEPFGSA-N 400.439 -0.927 50 20 HBGD CCNC(=O)N[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCC(=O)NN(C)C 1802337153 HRIAGBVWJHSBQV-XQLPTFJDSA-N 410.519 -0.295 50 20 HBGD O=C(Cn1ccncc1=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](O)CCl)CC2 1824529272 NSEAJVQQOUEMME-GXSJLCMTSA-N 411.871 -0.088 50 20 HBGD COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)n(C)n1 1830724290 DYIGUWVPPDWHEX-SUMWQHHRSA-N 416.862 -0.902 50 20 HBGD N#CCCC(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834605556 DXCOZCNTBIUTHH-UHFFFAOYSA-N 412.299 -0.145 50 20 HBGD O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCBr)CCO2 1834824532 APRGZMXOUWKYAJ-OAHLLOKOSA-N 403.229 -0.684 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(F)F)CCO2 1835462003 DSCZNCLJCRNYKI-QGZVFWFLSA-N 406.430 -0.529 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1839149040 RFNVQQSTJWPBIO-KBXCAEBGSA-N 418.922 -0.167 50 20 HBGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1839237870 IGZRETJDSLPFKI-WFASDCNBSA-N 416.276 -0.482 50 20 HBGD COC(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Br)CCO2 1840037184 WBZFAWZUKMHUSD-XHDPSFHLSA-N 422.276 -0.418 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1840182718 IWEHQQZZOWAFLH-LJQANCHMSA-N 409.487 -0.634 50 20 HBGD NS(=O)(=O)c1cccc(CNC(=O)NNC(=O)CNC(=O)c2cccs2)c1 725873882 RVVPNGCXETUOLR-UHFFFAOYSA-N 411.465 -0.344 50 20 HBGD O=C(CNC(=O)NCc1ccc(Cl)cc1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 727367772 ZWFAGTFKRNOKEH-LLVKDONJSA-N 402.860 -0.279 50 20 HBGD CC(C)N1CC[C@@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1=O 734219309 RIWQOQAFHZROJR-CQSZACIVSA-N 411.484 -0.110 50 20 HBGD COc1ccccc1CC(=O)NNC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 743318230 DRAIQCOJKHICTJ-DTTOXWODSA-N 401.419 -0.062 50 20 HBGD O=C(NC1CC1)C(=O)N1CCN(C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)CC1 748335309 SMHXFIMZDAEWOW-HNNXBMFYSA-N 401.423 -0.846 50 20 HBGD CNC(=O)CCOc1ccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1 756456972 GUPWZHTWYRKENT-JTQLQIEISA-N 401.445 -0.708 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CCNS(=O)(=O)/C=C/c1ccccc1 758036822 VYMHEFFKPUFHTD-LMMOQWNQSA-N 418.497 -0.948 50 20 HBGD O=C(CNCC(F)(F)F)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766647958 GEBSOQMEIWRRMZ-UHFFFAOYSA-N 401.389 -0.256 50 20 HBGD Cc1csc(CC(=O)NNC(=O)CN2CCN(C(=O)[C@H]3CCCN3C)CC2)n1 767038487 VSQJZXMYZLNDTO-CQSZACIVSA-N 408.528 -0.620 50 20 HBGD COc1cc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)ccc1F 782093014 KFOLWUCZGRQFCF-UHFFFAOYSA-N 419.373 -0.566 50 20 HBGD Cc1cc(C)c(S(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c(C)c1CC(=O)O 782249213 GCBDUXSJODIUBQ-GFCCVEGCSA-N 418.493 -0.017 50 20 HBGD Cc1c(NC(=O)C(=O)NNC(=O)Cc2cn3ccccc3n2)cccc1-n1cnnn1 785068583 XOEMMFNLTUDOLU-UHFFFAOYSA-N 419.405 -0.053 50 20 HBGD Cc1ccc(OCC(=O)NNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1C 914878640 NJCWECXNRVAHOH-LSDHHAIUSA-N 423.491 -0.135 50 20 HBGD O=C(CN1CCN(C(=O)C(=O)N2CCCC2)CC1)NNC(=O)c1ccc(F)cc1 917131164 RQRNZUJCKDJSJE-UHFFFAOYSA-N 405.430 -0.647 50 20 HBGD COc1cccc(C(=O)NNC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)c1O 919756420 HEXPCHNAZPHIHZ-UHFFFAOYSA-N 401.379 -0.635 50 20 HBGD CCOc1ccc(N2C[C@@H](C(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)CC2=O)cc1 919884566 HYWGALJDSHMATL-STQMWFEESA-N 424.479 -0.044 50 20 HBGD NC(=O)CC[C@H](N)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781330418 AJHOBKSALNLLRG-DRCTWCGVSA-N 409.256 -0.900 50 20 HBGD CN(CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(Cl)Cl)C2)C(=O)C(=O)O 1781542409 ABUHHGJFFBONDX-QLJPJBMISA-N 424.281 -0.153 50 20 HBGD CCC(=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1781723759 HRTQTZNKYHGVBA-YLJYHZDGSA-N 402.256 -0.527 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(CN(C(=O)CCc3cnc[nH]3)CCO2)C1 1783933371 IXBFWAJADVMTOC-IBGZPJMESA-N 406.487 -0.455 50 20 HBGD CCCNC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1784374202 NGUZNQUXLYXWRG-XQLPTFJDSA-N 403.907 -0.128 50 20 HBGD CCO/C=C/C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1791460043 HIGOAHCKNDNJKM-KDIJAQBXSA-N 402.256 -0.490 50 20 HBGD Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)cn1 1794654873 GBWXFHMWWJYUNK-IZZQQSIFSA-N 409.251 -0.413 50 20 HBGD O=C(CC(F)(F)F)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1795405065 AZLBWFWBQMNIOX-JJLQDPRZSA-N 400.162 -0.478 50 20 HBGD Cc1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)cs1 1795737496 OJHQIIPJRZSZBU-XOIINTDNSA-N 415.280 -0.352 50 20 HBGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CNC(=O)C1)C2 1800643999 BZURGUGHOHCXDX-ROEYZRMQSA-N 402.289 -0.114 50 20 HBGD C[C@@H](NC=O)C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809969764 RJLARPDAUWMGSB-OAHLLOKOSA-N 401.272 -0.654 50 20 HBGD C[C@H](Cn1cccn1)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830726158 XBCVHBYCMJZUNS-IIDMSEBBSA-N 414.890 -0.425 50 20 HBGD O=C(c1[nH]nc2ccncc12)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830727959 LLVUZJNEPKNCDK-KDOFPFPSSA-N 423.857 -0.372 50 20 HBGD O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731710 ORJBOSMHGWAPJH-GXCPCUBXSA-N 413.858 -0.245 50 20 HBGD COc1nccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1833502574 NGENVPPEDHBNAQ-PXAZEXFGSA-N 414.846 -0.845 50 20 HBGD COc1ncccc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1834125596 VLJMTGGGTQNAOQ-KBXCAEBGSA-N 413.858 -0.240 50 20 HBGD CC(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1834713884 ZZKGWUKRCIFNMM-IOVUBPJKSA-N 419.438 -0.834 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1837715337 LJAOGKNUSZPGBR-GOSISDBHSA-N 424.530 -0.309 50 20 HBGD CCS(=O)(=O)N1CCC(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CC1 23787600 CQNUGZYJYWKKOK-UHFFFAOYSA-N 407.456 -0.515 50 20 HBGD C#Cc1cccc(NC(=S)NNC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)c1 727498752 YZVDLHDTEBKFEX-UHFFFAOYSA-N 411.447 -0.567 50 20 HBGD Cn1cc(C(=O)NNC(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)cn1 735473464 WNVWJMHUOHWTTC-AWEZNQCLSA-N 407.452 -0.048 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNS(=O)(=O)C[C@@H]2CCCO2)cc1 735646248 NZTBIUMPYOUFGR-ZDUSSCGKSA-N 405.498 -0.255 50 20 HBGD C[C@H](CS(C)(=O)=O)C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 747080432 MKVHRKSFRKKNGG-MFKMUULPSA-N 400.409 -0.802 50 20 HBGD C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNC(=O)c1cc(Br)c[nH]1 755065544 SIWWXJPZZSOURQ-SSDOTTSWSA-N 419.261 -0.361 50 20 HBGD Cc1noc(C)c1S(=O)(=O)NC1(C(=O)NNC(=O)Cc2cc[nH]n2)CCCC1 755284932 JHAZCPVMMSWKJM-UHFFFAOYSA-N 410.456 -0.004 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc(Br)c2c(c1)OCO2 758048387 SILAABASSYEGBT-ZCFIWIBFSA-N 408.230 -0.124 50 20 HBGD COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)NNC(=O)CC1CC1 764141604 DMXKRLZPHWMLIT-UHFFFAOYSA-N 417.466 -0.031 50 20 HBGD COCC(=O)NNC(=O)C(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1 764295247 LDVIGIUKZFWYDD-UHFFFAOYSA-N 417.422 -0.768 50 20 HBGD CC(C)NC(=O)c1ccc(Cl)c(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)c1 764434783 RIRIUNXZLQJZHH-ZDUSSCGKSA-N 412.830 -0.021 50 20 HBGD CN(CC(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1)[C@@H]1CCSC1 772046022 FSNTXGMSOHZMSZ-IUODEOHRSA-N 409.464 -0.046 50 20 HBGD Cn1nc(Br)cc1C=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O 782184472 ICUAKUIBJAKWKC-UHFFFAOYSA-N 416.261 -0.783 50 20 HBGD CN(CC(=O)NNC(=O)N=c1cc[nH]cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 802032671 TZTKGZHBWKGWLO-UHFFFAOYSA-N 408.396 -0.115 50 20 HBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 808045915 SCVOQGMSEQXXJD-MRXNPFEDSA-N 414.459 -0.461 50 20 HBGD CC(C)O[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779032060 LFUFKYCGAXNGLN-JLTOFOAXSA-N 419.482 -0.058 50 20 HBGD CN(C)C(=O)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1783676131 IGTGBXIIGOMXEM-MRBYEJRBSA-N 423.283 -0.072 50 20 HBGD Cn1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)c1 1785857645 MLESBDBPNZOIBG-WDSOQIARSA-N 411.267 -0.388 50 20 HBGD CCOCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786986635 SNZZITOJPZCBRL-SZMVWBNQSA-N 404.272 -0.614 50 20 HBGD CCNC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1788563026 UCNLSQCJEBOPBQ-PEDHHIEDSA-N 404.895 -0.727 50 20 HBGD Cc1onc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c1C 1795737700 KYYVQKYKFCMQGH-JLVBRIDZSA-N 413.239 -0.512 50 20 HBGD CC[C@@H](C)[C@H](N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797750500 IDRRAEAIHIRTRM-ZWNONLRRSA-N 418.498 -0.738 50 20 HBGD O=C(Nc1cccnc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1798565172 IRHKXMHIGGVXHV-BCDXTJNWSA-N 422.250 -0.348 50 20 HBGD COc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)nn1C 1799489879 NNBFVZGATKRWFP-MUJYYYPQSA-N 412.255 -0.326 50 20 HBGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccncc1=O 1800199439 TUAOGFRGQDEZOU-OHTBPHCPSA-N 413.272 -0.384 50 20 HBGD O=C(Cn1ccncc1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2 1800200013 WWZBBEIUIUJYCE-DJBIQUGXSA-N 417.235 -0.477 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2)C(Cl)Cl 1801015719 GZYWERKQOQSSTG-AKZRSSKFSA-N 415.237 -0.576 50 20 HBGD Cc1nn[nH]c1C(=O)N1CCCC2(CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1 1810314669 KZGMEGYJYDAFNL-UHFFFAOYSA-N 411.271 -0.048 50 20 HBGD C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1829766371 VLESLYGGMYBZBX-AAAUKVELSA-N 403.838 -0.164 50 20 HBGD O=C(c1ccn(C(F)F)n1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830732788 VUSHUUZSGOCIGY-WBMJQRKESA-N 422.816 -0.052 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3nccn3C)CCO2)C1 1834401052 ISJWGQDQUJGXDE-CXAGYDPISA-N 400.863 -0.256 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)C1CCCC1)CCO2 1834645592 BVWSPQIZDSUFLN-NRFANRHFSA-N 416.283 -0.373 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)CC3CC3)CCO2)C1 1835220047 FUSUWZJIRMGGJR-HXUWFJFHSA-N 417.466 -0.445 50 20 HBGD O=C([C@@H](O)c1ccccc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1835285075 KXHVGVXUPULUMK-TXPKVOOTSA-N 412.870 -0.224 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSC(=N)N)C2)C1 1840151610 ILMGWUOKPMRSHT-IAQYHMDHSA-N 408.908 -0.677 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)CSc2nc[nH]n2)C1 1846568340 FGTJPPUQXLDIFT-UHFFFAOYSA-N 416.467 -0.588 50 20 HBGD CNC(=O)c1ccc(C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cn1 728511427 NQAMPIUSEPPDQP-UHFFFAOYSA-N 419.463 -0.169 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cccc(I)c1 729274722 BFTCWEHQKUTQFC-SSDOTTSWSA-N 411.221 -0.010 50 20 HBGD Cc1c(/C=C(/C#N)C(=O)N[C@@H](C)C(=O)N2CCS(=O)(=O)CC2)cc(C#N)n1C 731476447 CPXFEWNZPANCOI-IYVNWDGISA-N 403.464 -0.126 50 20 HBGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)o1 734241837 WFHYOWWDRAWDON-UHFFFAOYSA-N 405.433 -0.344 50 20 HBGD CC(=O)N1CCC[C@H](C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)C1 735117943 JUIMIRHZAPOKMZ-HNNXBMFYSA-N 424.527 -0.281 50 20 HBGD O=C(CN1C(=O)Cn2c(cc3ccccc32)C1=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 743844966 CSWKHWYFLVLSDN-LBPRGKRZSA-N 418.431 -0.794 50 20 HBGD COc1cc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)ccc1N1CCCC1=O 755595638 ZIOLSTGZEIPZNZ-SNVBAGLBSA-N 413.456 -0.088 50 20 HBGD CN(C)C(=O)Cn1ccc(NC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)n1 756311365 OBJRIBVJVSCRNW-UHFFFAOYSA-N 408.440 -0.159 50 20 HBGD CNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)Cc2ccsc2)c2ccccc2O1 764025357 QOQNNIBYEYBXIQ-CQSZACIVSA-N 402.432 -0.022 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Cc2c(F)cccc2F)n(C)c1=O 765727631 LOEWMAFHIVJJFQ-UHFFFAOYSA-N 406.349 -0.898 50 20 HBGD Cc1nc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)ccc1Br 773548257 WCNLPHAHJFRTFF-ZETCQYMHSA-N 422.261 -0.824 50 20 HBGD CS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)COc2ccccc2O)cn1 795100214 IVLOZGXLOUWXSK-UHFFFAOYSA-N 401.422 -0.421 50 20 HBGD COCCNS(=O)(=O)c1ccc(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)cc1 1117679592 WWAGMDNNOOLRFP-CQSZACIVSA-N 419.525 -0.283 50 20 HBGD O=C(CSc1nnc(N2CCOCC2)n1C[C@@H]1CCCO1)NNC(=O)C1CC1 1329668948 CTGGZBWKWSCLFK-ZDUSSCGKSA-N 410.500 -0.057 50 20 HBGD O=C(C[C@H]1C=CS(=O)(=O)C1)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 1333587520 LNYAJGTVDBDOMM-OAHLLOKOSA-N 420.491 -0.460 50 20 HBGD C[C@H](CBr)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1783156417 OCIJLNWCESXCLV-WQGACYEGSA-N 402.289 -0.017 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 1783588899 JEZCYALSHWDNOH-DICRZQGBSA-N 408.499 -0.243 50 20 HBGD O=C(CC1(O)CCC1)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1784823917 GYBUFJCHASVGIY-HXUWFJFHSA-N 402.256 -0.885 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccccn3)[C@H]2C1 1787111792 HTYXQRYCHRBKGI-SZMVWBNQSA-N 417.510 -0.023 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(C)C)C[C@@H]21 1787508791 NDEPWDPLFKLLKS-YFRLFMDHSA-N 418.498 -0.338 50 20 HBGD CCCC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1788740104 YFUKMSKOPASHFD-QTVXIADOSA-N 403.907 -0.129 50 20 HBGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(C)C(=O)CC3)C[C@@H]21 1791252932 YUEJRVWVGOOGSZ-XPCVCDNBSA-N 414.890 -0.172 50 20 HBGD O=C(Cc1cccs1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1795826386 XLOWZUHKTHBBLJ-CCWDJLKJSA-N 414.292 -0.126 50 20 HBGD CCOC(=O)/C=C/C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796191144 DKOODBZQUQIFES-RFVJJRFUSA-N 400.240 -0.263 50 20 HBGD CNc1nsnc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1829749070 PVIMDJBVIXYANZ-BMIGLBTASA-N 419.891 -0.751 50 20 HBGD O=C(NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)c1ccc(O)nn1 1834068249 KOSSZVMJLDESLQ-HNNXBMFYSA-N 411.890 -0.033 50 20 HBGD CCOCC(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834482228 YBMOAFKMLQZHNM-UHFFFAOYSA-N 417.315 -0.412 50 20 HBGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)c1nc[nH]n1)CCO2 1836347137 MMIVDBJQXNNCQV-CQSZACIVSA-N 402.249 -0.340 50 20 HBGD Cc1nocc1C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840183386 AYXZMPCBEPDXGP-IBGZPJMESA-N 423.470 -0.574 50 20 HBGD C[C@@H](Nc1cnccn1)C(=O)N1CC2(CCCN2C(=O)CCC(=O)NN(C)C)C1 1846384982 HKYRFPVOYRPPMY-CQSZACIVSA-N 403.487 -0.147 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)C3=NN(C)C(=O)CC3)cc2)CC1 728213069 DDSVSDFCCLIKND-UHFFFAOYSA-N 408.484 -0.326 50 20 HBGD O=C(COc1ccccc1F)NNC(=O)NCCS(=O)(=O)N1CCSCC1 730577901 DYRDMXMSIDDROE-UHFFFAOYSA-N 420.488 -0.087 50 20 HBGD O=C(NNC(=O)[C@@H](c1cccc(F)c1)N1CCOCC1)N[C@H]1CCS(=O)(=O)C1 742055389 MSVPOQWUQJORMA-LSDHHAIUSA-N 414.459 -0.284 50 20 HBGD CS(=O)(=O)NCc1ccc(C(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)o1 754143376 XUBAEZYUNKGSAJ-UHFFFAOYSA-N 420.403 -0.182 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1 764231126 MRLUNEZWSPGOKC-SSDOTTSWSA-N 412.346 -0.391 50 20 HBGD CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)NNC(=O)[C@H]2COCCO2)nc1 776062690 JGFKDWNMZUPZEM-LLVKDONJSA-N 401.445 -0.274 50 20 HBGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1ccc(-n2cccn2)nc1 784003811 PDAZQLHNVPHLQG-UHFFFAOYSA-N 413.419 -0.155 50 20 HBGD C[C@](O)(Cn1ccccc1=O)C(=O)OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 790669697 HZMKMWAPNPZXLJ-SFHVURJKSA-N 418.362 -0.488 50 20 HBGD CN(CCNC(=O)NNC(=O)C(=O)N1CCCC1)S(=O)(=O)c1ccc(F)cc1 798118323 OWWNDYDTFGVJJR-UHFFFAOYSA-N 415.447 -0.601 50 20 HBGD CC(=O)Nc1cncc(C(=O)NNC(=O)CNS(=O)(=O)c2ccccc2F)c1 810663170 XOTGRTQJBQVDHF-UHFFFAOYSA-N 409.399 -0.081 50 20 HBGD Cn1cc(C(=O)NNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c2ccccc21 914830660 NPAVEFFADGCGPU-QWHCGFSZSA-N 418.475 -0.025 50 20 HBGD O=C(NNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)c1ccc(Cl)nc1 917252597 PGGOLJOHZAAWSS-QWRGUYRKSA-N 400.844 -0.468 50 20 HBGD C[C@H](O)c1cn(CC(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)nn1 1116283363 ZLRCXXZBWVBLKF-LBPRGKRZSA-N 410.456 -0.504 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCC=CO3)C2)C1 1778984776 OKKBTYIAXMJPNY-YLJYHZDGSA-N 400.240 -0.497 50 20 HBGD COc1ccnc(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1 1783934384 GEMLTGBUYBGAMH-FQEVSTJZSA-N 419.482 -0.093 50 20 HBGD O=C(NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1)c1cccnc1 1784085744 OQXJZRJOYWZTRE-JONQDZQNSA-N 424.885 -0.609 50 20 HBGD Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)n1 1795732552 UPCYIBPKEFMJLE-HGKCTWBKSA-N 409.251 -0.413 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCN1CCOCC1)c1ccc(B(O)O)cc1 1795906551 QBNLMNKELIZSNT-REPLKXPHSA-N 415.299 -0.660 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)n1)C2)[C@@H](F)Br 1799347952 YKIPFGLMWLPHLJ-LRMGWDNHSA-N 419.207 -0.219 50 20 HBGD CC(=O)NCC(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815359731 BMPOQAKSGLFWAB-ZDUSSCGKSA-N 416.268 -0.815 50 20 HBGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C=CCN3)C2)C1 1834821444 KNLROEHNYOATHB-BBRMVZONSA-N 402.289 -0.244 50 20 HBGD CC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1834874386 XNRIAUJMCINRCK-IBGZPJMESA-N 412.487 -0.815 50 20 HBGD O=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)=NN1 1837363920 QPRMJYQUGXKHQB-SMDDNHRTSA-N 421.223 -0.991 50 20 HBGD O=C(c1ccnc(Cl)n1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837919545 BNCVCIGQUOPEKF-MLGOLLRUSA-N 419.265 -0.200 50 20 HBGD NC[C@@H](C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccccc1 1842970249 MMSNJDJAYJKLTJ-LJQANCHMSA-N 407.279 -0.074 50 20 HBGD CCOC(=O)O[C@H](C)C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012170 LNZUHRLYCARMIG-CYBMUJFWSA-N 404.228 -0.255 50 20 HBGD C[C@H](CBr)C(=O)N1CC2(CCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)C1 1843233800 DNQYTUIMQONSFI-SECBINFHSA-N 424.259 -0.339 50 20 HBGD CC(=O)N1CCN(c2ccc(C(=O)NNC(=O)c3cnn[nH]3)cc2[N+](=O)[O-])CC1 729456095 QPPYDLFMZJHRSY-UHFFFAOYSA-N 402.371 -0.544 50 20 HBGD CS(=O)(=O)N1CCC[C@@H]1C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 732921837 OPDMOEIKTYCRQM-QGZVFWFLSA-N 423.539 -0.230 50 20 HBGD CCN1CCO[C@@H](C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)C1 748621275 ZLWNTHNSCDZCRF-QGZVFWFLSA-N 411.528 -0.214 50 20 HBGD COCCO[C@@H](C)C(=O)NNC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 748631674 OGVPNMYORLJQSL-JTQLQIEISA-N 416.447 -0.367 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NC[C@@H](C)S(C)(=O)=O)cc1 754671944 NXICAMDNKXOJRE-GFCCVEGCSA-N 420.513 -0.621 50 20 HBGD Cn1nc(SCC(=O)NN=Cc2n[nH]c3cc(C(=O)O)ccc23)c(=O)n(C)c1=O 765566032 SUPHCRLUNKOPPX-UHFFFAOYSA-N 417.407 -0.704 50 20 HBGD Cc1c(Br)cc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c(=O)n1C 765846875 IBGFUEXKTSTYBV-ZCFIWIBFSA-N 409.262 -0.845 50 20 HBGD COC(=O)c1cccc(NNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)c1 784854001 UECRKMABTQGGNV-UHFFFAOYSA-N 412.406 -0.114 50 20 HBGD C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NNc1ccc(C(N)=O)nn1 792650992 UXQLEOCXWYYSBE-CQSZACIVSA-N 400.317 -0.350 50 20 HBGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNC(=O)NCC(F)(F)F)[C@@H](C)O)cc1 798314121 YADXJBQYVKXVPX-MWLCHTKSSA-N 412.390 -0.085 50 20 HBGD CCn1nc(C(=O)NNC(=O)NC2CC(NS(C)(=O)=O)C2)c2ccccc2c1=O 802416954 IAHUHAKAYHITFZ-UHFFFAOYSA-N 422.467 -0.559 50 20 HBGD O=C(COc1ccc(F)cc1)NNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 914878901 ROLHDTUCJORNCF-WCQYABFASA-N 413.427 -0.613 50 20 HBGD O=C(CCS(=O)(=O)c1ccc2c(c1)CCC2)NNC(=O)[C@@H]1CCS(=O)(=O)C1 915279826 RTGLAIONOXREBW-CQSZACIVSA-N 414.505 -0.079 50 20 HBGD CS(=O)(=O)NC[C@H]1CCCN(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1 918779230 IFKRAQDPLLXPHQ-GFCCVEGCSA-N 422.471 -0.722 50 20 HBGD COCCOc1ccc(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1C 919961206 WVXXBTVYDNXKFF-LBPRGKRZSA-N 421.497 -0.300 50 20 HBGD COc1ccc(OCC(=O)NNC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)cc1 920238907 MRYTXRYKYPEYEU-LBPRGKRZSA-N 400.457 -0.172 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cn[nH]c2)C1 1778216232 RMILJQNFWSBXPR-DNVCBOLYSA-N 406.487 -0.090 50 20 HBGD Cn1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)c1 1786984460 IWNVFAZUVJIONR-WDSOQIARSA-N 411.267 -0.388 50 20 HBGD C[Si](C)(C)OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)CCC(N)=O)C[C@@H]21 1788765194 UMTMOIPVDNEOMX-AJNGGQMLSA-N 414.579 -0.590 50 20 HBGD Cc1cnn(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)c1 1791289407 XOUFNOWPPOMKJW-ULQDDVLXSA-N 420.514 -0.456 50 20 HBGD O=C(NCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl)c1ccccc1 1792983646 SNZKPSMZHHCKJM-KYHPRHEASA-N 423.897 -0.004 50 20 HBGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)O1 1793415594 DZPKXDJIRHSYRT-LDMBFOFVSA-N 404.261 -0.285 50 20 HBGD CCC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H]1NC(=O)NC1=O 1793942517 ZXPWNMKFOFYDGD-GHMOJZLGSA-N 400.863 -0.418 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCN1CCOCC1)c1cccc(B(O)O)c1 1795906436 BSBODVGNMOZBNM-REPLKXPHSA-N 415.299 -0.660 50 20 HBGD CCCC(=O)N[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796188821 SBTDKIJCICMIPK-RUGDWHBFSA-N 415.299 -0.077 50 20 HBGD COCC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)CC1 1797748630 NOYMSZXNBQYBOG-YWVIFJGQSA-N 417.466 -0.685 50 20 HBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc(C)c(C)[nH]c1=O)C2 1800974151 NEMGUJBGRWXNJC-CRWXNKLISA-N 412.874 -0.156 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1O)C2 1801009409 GHIYQRZYGZGIFZ-HBCWATKFSA-N 404.467 -0.032 50 20 HBGD Cc1ccc(C(=O)NCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)cc1 1802114866 GJXRAIBGSXKLMN-DFGXFYAUSA-N 423.897 -0.086 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCCC2(CCN(C(=O)c3c[nH]c(=O)cn3)CC2)C1 1809977516 BVSRFJKPUNEIED-UHFFFAOYSA-N 424.266 -0.392 50 20 HBGD Cn1cc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cn1 1835986404 QREJAUGIYBXGCZ-YJBOKZPZSA-N 414.890 -0.591 50 20 HBGD O=C(CC[C@@H]1CCOC1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840585206 BRHMTENPZXSEEL-RKVPGOIHSA-N 404.891 -0.141 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 729275755 RJXGPDYFNDGVKI-RKDXNWHRSA-N 404.395 -0.597 50 20 HBGD CN(C)C(=O)CN1CCC(NC(=O)NNC(=O)c2ccc3c(c2)OCCO3)CC1 731762115 CVCUQDMBNXHDCL-UHFFFAOYSA-N 405.455 -0.046 50 20 HBGD Cc1nc2ccccn2c1C(=O)NNC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 742490190 YFTQHAWQIISJQY-UHFFFAOYSA-N 415.431 -0.023 50 20 HBGD CCOC(=O)c1cc(S(=O)(=O)NNC(=O)[C@@H]2COCCO2)cc([N+](=O)[O-])c1C 745979412 PCOFQCPIFWPJKP-ZDUSSCGKSA-N 417.396 -0.195 50 20 HBGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)C(=O)Nc1cnns1 760279169 JPECBTSDPOHISH-UHFFFAOYSA-N 403.468 -0.164 50 20 HBGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)ccc1Br 764229908 DSTFYKZXXOBVJU-QMMMGPOBSA-N 421.273 -0.219 50 20 HBGD CCOCC(=O)NNC(=O)C(=O)Nc1cc(C(=O)N2CCN(C)CC2)ccc1OC 764319170 KUGDUDSTTVRROB-UHFFFAOYSA-N 421.454 -0.795 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)C3=COCC3)CC2)cc1 766636296 NTUSLTWRPLUBMX-UHFFFAOYSA-N 408.480 -0.247 50 20 HBGD Cc1cc(C)c(CC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)c1 773312108 RECPPGODUJUFPV-UHFFFAOYSA-N 412.450 -0.251 50 20 HBGD N#Cc1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c[nH]1 778521832 KBEJMLFMMNPZQP-UHFFFAOYSA-N 403.420 -0.018 50 20 HBGD Cn1nc(C(=O)NNC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)c2ccccc2c1=O 933649917 JIIHHBXKURKVTB-OKILXGFUSA-N 411.418 -0.130 50 20 HBGD COC(=O)N(C)NC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 1257624592 ADKXTMQUPCOADG-LBPRGKRZSA-N 407.470 -0.502 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)[C@@H]3[C@H]4C=CS[C@@H]43)C2)C1 1782736236 MJZKOYJWVWBCPB-WWNBULGVSA-N 414.292 -0.315 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1 1783871021 LOQWLCHMYWNZCJ-FZKQIMNGSA-N 413.858 -0.615 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)COc1cccnc1)CCO2 1783933827 ZOTXSPKIXZTGDU-HXUWFJFHSA-N 419.482 -0.337 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(n1)OCCO3)C2)[C@@H](O)CCl 1792978222 LCJUPWPRCNCTEF-WJNVRWDZSA-N 411.842 -0.344 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=CCCS1)C2)c1ccc(B(O)O)cc1 1795732892 PGTBRIILPPLPQZ-XOIINTDNSA-N 402.281 -0.410 50 20 HBGD Cc1cn(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](F)Cl)C3)c(=O)nc1O 1801970160 OQTVZKXPFOBRMX-LYIQGSDWSA-N 402.810 -0.619 50 20 HBGD Cc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Cl)C3)C2)c(=O)[nH]c1C 1833386973 MNHPFGBNKPZAHD-CXAGYDPISA-N 416.837 -0.009 50 20 HBGD Cc1nn[nH]c1C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834822349 IGBUCFSTDWKFAP-HNNXBMFYSA-N 416.276 -0.032 50 20 HBGD CC(C)(C)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935460 FVDKYOJAXJSTFS-OAQYLSRUSA-N 418.299 -0.127 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939417 PXYCYTAHJLWUHJ-APWZRJJASA-N 424.690 -0.546 50 20 HBGD O=C(CCNS(=O)(=O)c1ccccc1)NNC(=O)CNC(=O)c1cccs1 725741494 OGEQJKHQFHAOPP-UHFFFAOYSA-N 410.477 -0.006 50 20 HBGD O=C(NC[C@@H]1CN2CCC[C@H]2CO1)NNC(=O)c1csc(N2CCOCC2)n1 729493948 GHFANXKIFIXTRZ-QWHCGFSZSA-N 410.500 -0.213 50 20 HBGD COCCN1CC[C@H](NC(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)C1 736651863 TWENCPARRQQBGV-ZDUSSCGKSA-N 412.516 -0.047 50 20 HBGD CCCCNC(=O)CN1CCN(CC(=O)NNC(=O)c2ccc(C#N)cc2)CC1 744385874 XTOFYOBDKZFAMC-UHFFFAOYSA-N 400.483 -0.147 50 20 HBGD O=C(CN1CCN(C(=O)OCc2ccccc2)CC1)NNC(=O)C(=O)N1CCCC1 747376919 HJJJBWFJFQGTKV-UHFFFAOYSA-N 417.466 -0.289 50 20 HBGD C[C@H]1C[C@@H](C)C[C@]2(C1)NC(=O)N(CC(=O)NNC(=O)CNC(=O)c1ccco1)C2=O 756964425 BBFDNMFSLOUOKL-SLAYPKMVSA-N 419.438 -0.097 50 20 HBGD CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NNC(=O)C(=O)Nc2ccccn2)CC1=O 758830290 JENMYXNTOVPXDM-UONOGXRCSA-N 402.455 -0.500 50 20 HBGD CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNC(=O)c1ccccn1)CC2 763466127 DPNHUSDAMZTQCV-UHFFFAOYSA-N 417.447 -0.270 50 20 HBGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 763864907 MCYHDLLJTHKUDK-LLVKDONJSA-N 420.401 -0.336 50 20 HBGD COc1ccc(Cn2ncc(C)c2NC(=O)C(=O)NNC(=O)CN(C)C)cc1OC 764210911 JGFLUKOJWMAOJL-UHFFFAOYSA-N 418.454 -0.095 50 20 HBGD CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc([S@@](C)=O)cc1 764818874 XIOFXAMFELGIAY-GDLZYMKVSA-N 416.463 -0.289 50 20 HBGD COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NNC(=O)C(=O)NC(C)C)C1=O 771233698 GNELUNJCZLYYSO-SFHVURJKSA-N 405.411 -0.866 50 20 HBGD CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 794245628 UKQDIZONRJENQZ-NNYUYHANSA-N 402.473 -0.383 50 20 HBGD COc1cc(C(=O)NNC(=O)C2=C(C)N(C)c3nnnn3C2)cc(OC)c1OC 798151607 UZOYHYXRGUWGAM-UHFFFAOYSA-N 403.399 -0.116 50 20 HBGD CN(C)c1ccc(NC(=O)NNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1 802120708 XVHRKNHTXZUZAF-WFASDCNBSA-N 423.495 -0.059 50 20 HBGD C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 806458501 JZRBQYCNJWVHRI-QWRGUYRKSA-N 414.465 -0.040 50 20 HBGD CC[C@@H](C)NC(=O)CN1CCN(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 913054339 IXRPWULRINKHRA-CQSZACIVSA-N 420.470 -0.112 50 20 HBGD C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)C2=O 919885457 PDEKLKMYMAWSNW-GLKRBJQHSA-N 415.472 -0.995 50 20 HBGD O=C1C[C@@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@H](O)CCl)C3)CCN1 1782267885 NLEHGPJPHRSSLM-HNSFDTNUSA-N 401.891 -0.374 50 20 HBGD Cc1c(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)cnn1C 1783936755 SWSCLDQTSCSPOU-LJQANCHMSA-N 406.487 -0.455 50 20 HBGD O=C(c1cc(=O)n2[nH]nnc2n1)N1CCO[C@@]2(CCN(C(=O)C(Cl)Cl)C2)C1 1783945404 MQSWJNPPDMISHG-CQSZACIVSA-N 416.225 -0.940 50 20 HBGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CS(C)(=O)=O)[C@H]2C1 1786648039 SGFOEKJIJYGWTJ-BJDJZHNGSA-N 411.318 -0.206 50 20 HBGD COCC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)CC1 1786978599 BXIQOMQLRKZSFG-SZMVWBNQSA-N 416.283 -0.614 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]1C1CC1 1792851301 GIPXDQXVRRSVQD-HYUSYPKPSA-N 413.478 -0.066 50 20 HBGD C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1793349418 PNVKZTOYZHOMJC-XEMDLRDOSA-N 416.283 -0.448 50 20 HBGD C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1793355333 FTGHGGGKXPESOG-NYCLONFESA-N 402.256 -0.839 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)C1CCC(O)CC1 1801133626 QXUVTMUSPFJLSJ-YJIALWDCSA-N 416.283 -0.879 50 20 HBGD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)n1cccc1 1801254781 PDEWSRMYFZCYPV-RMRDIRSESA-N 411.267 -0.368 50 20 HBGD O=C(N[C@H]1CCc2nc(NC(=O)c3ncon3)sc2C1)c1ccc(B(O)O)cc1 1821020933 RKUFABJGQUMHQI-NSHDSACASA-N 413.224 -0.255 50 20 HBGD CC(=O)NCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCC(=O)NN(C)C)CC2 1825171094 NWCAQUHFBPCCRW-NSHDSACASA-N 410.500 -0.436 50 20 HBGD CC(C)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1830353941 NKMZYCPVMVVAOR-YVEFUNNKSA-N 403.863 -0.184 50 20 HBGD O=C(c1cnc(Cl)nc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830720273 VSPBEJVGBAFNCF-LRDDRELGSA-N 419.265 -0.200 50 20 HBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830737198 DRRORGIYPRGOPF-MISXGVKJSA-N 413.696 -0.174 50 20 HBGD CNC(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1831276301 MIWRWNIYUUGDII-CVEARBPZSA-N 410.298 -0.185 50 20 HBGD COC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1831637065 JRLDYPBHJZMNLG-DNVCBOLYSA-N 414.503 -0.902 50 20 HBGD CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](Cl)COC)CCO2)C1 1840149405 OFMZPBXABASTPZ-IIDMSEBBSA-N 419.906 -0.389 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NC(C)=O)C2)C1 1840150551 NEBQVVSCCPFABI-KBXCAEBGSA-N 419.906 -0.389 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc(C)cn3)C2)C1 1840151434 BHEUZALIKYYWAZ-MAUKXSAKSA-N 414.890 -0.098 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C(/C)C(=O)O)CCO2)C1 1840839105 JDQYFJQQFPISOK-YPGXOENKSA-N 404.847 -0.273 50 20 HBGD COc1ccc([C@@H](O)C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)cc1 1841182322 ABNZZPRVMQDJDG-LJQANCHMSA-N 424.262 -0.074 50 20 HBGD C[C@@H](CBr)C(=O)N1CC2(CCCN2C(=O)CNCP(=O)(O)O)C1 1842873233 YYPDHOGDNTWDHI-JTQLQIEISA-N 412.221 -0.054 50 20 HBGD O=C(Cn1cc(Br)c(=O)[nH]c1=O)NNC(=O)c1ccc2c(c1)OCO2 26966321 FIRNYQBGEWYGSZ-UHFFFAOYSA-N 411.168 -0.511 50 20 HBGD Cn1cnc2c1c(=O)n(CC(=O)NNC(=O)NCc1ccc(Cl)cc1)c(=O)n2C 733003793 LLJPNSOFBFYIHW-UHFFFAOYSA-N 419.829 -0.382 50 20 HBGD COc1ccc(CN2CC[C@@H](NC(=O)NNC(=O)C(=O)N3CCCC3)C2=O)cc1 734683861 JMIUKWLKBZWWFN-OAHLLOKOSA-N 403.439 -0.251 50 20 HBGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)n1 763880438 FBRUCXOLAKLQDU-UHFFFAOYSA-N 401.362 -0.599 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O 784263511 PFXVRSTYJKGOLB-CQSZACIVSA-N 414.422 -0.074 50 20 HBGD COc1ccc(C(=O)NNC(=O)COC(=O)c2ccc3nnnn3c2)cc1OC 786052313 YVRSMAREEJYJQY-UHFFFAOYSA-N 400.351 -0.241 50 20 HBGD CNS(=O)(=O)N1CCC(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)CC1 794780068 JLMQZGUFCHURNS-LLVKDONJSA-N 402.448 -0.083 50 20 HBGD CC(C)c1nn(C)cc1NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 797682325 ONUQELNPEYRSQN-UHFFFAOYSA-N 417.430 -0.857 50 20 HBGD C=CCN1C(=O)C(=O)N(CC(=O)NNC(=O)C(=O)Nc2ccc(C)c(C)c2)C1=O 798309521 HAYBJGJRHYOAIG-UHFFFAOYSA-N 401.379 -0.634 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cc(C(N)=O)ccc1OCC(F)F 810341766 QOTGEZYYKVNUSZ-SSDOTTSWSA-N 423.398 -0.480 50 20 HBGD O=C(NNS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1cnccn1 1116054182 ASIVSCARMINVJX-UHFFFAOYSA-N 411.465 -0.116 50 20 HBGD CS(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1 1116113675 YECKGYVKUBEVCT-QMMMGPOBSA-N 409.873 -0.125 50 20 HBGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1778785955 POMPPTAKPGJMSC-RHSMWYFYSA-N 417.535 -0.268 50 20 HBGD Cc1nn(C)c(C)c1C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783933750 WSZXRBUSMVIXSC-HXUWFJFHSA-N 420.514 -0.147 50 20 HBGD CC[C@@H](NC(C)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796189698 POTQFRPAKYUQJA-XMTFNYHQSA-N 401.272 -0.467 50 20 HBGD CN1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](F)Br)C3)CC1 1797237832 OORKXNLYWSKOLL-NEBZKDRISA-N 421.311 -0.486 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[C@H]1[C@H]2SC=C[C@H]21 1800250634 SQGCWYMQRDKQEA-BONHGPHZSA-N 414.292 -0.555 50 20 HBGD O=C(O)C#CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827060150 BRVQWDKGAWIQBY-SFHVURJKSA-N 412.251 -0.312 50 20 HBGD CNC(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1831276304 MIWRWNIYUUGDII-HOTGVXAUSA-N 410.298 -0.185 50 20 HBGD CC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1834899502 SGUZHBJCKYDXMJ-HXUWFJFHSA-N 404.272 -0.518 50 20 HBGD O=C1C[C@H](C(=O)N2CCC(OC3CCN(C(=O)[C@H](O)CCl)CC3)CC2)CN1 1836718761 CUAHMJJNXBCJIE-SWLSCSKDSA-N 401.891 -0.279 50 20 HBGD C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837461128 OTFMGBOHTNMRMA-LJQANCHMSA-N 403.439 -0.669 50 20 HBGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCO2 1839076509 JFXJTVQCRKBKPL-XSWJXKHESA-N 403.907 -0.427 50 20 HBGD COCCOCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840031698 ACTYPXLFBPESNI-CJNGLKHVSA-N 423.304 -0.111 50 20 HBGD COC(=O)C12CC(C(=O)N3CCCC34CN(C(=O)c3ccc(B(O)O)cc3)C4)(C1)C2 1846114000 ORDFEMOZERQEPD-UHFFFAOYSA-N 412.251 -0.473 50 20 HBGD CC1CCC2(CC1)NC(=O)N(CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)C2=O 728385579 ZCJMGCDGPJWRPP-NOEPWBJOSA-N 400.457 -0.931 50 20 HBGD Cn1nc(C(=O)NNC(=O)CN2CCN(c3ccccn3)CC2)c2ccccc2c1=O 743285044 SEOIHISIERAWKB-UHFFFAOYSA-N 421.461 -0.088 50 20 HBGD COc1ccc(C(=O)NNC(=O)Cn2c(-c3ncccn3)noc2=O)cc1OC 750949108 IDQJITZNFLIXME-UHFFFAOYSA-N 400.351 -0.228 50 20 HBGD CN(C)S(=O)(=O)c1cc(C(=O)NNC(=O)CNC(=O)c2cccs2)co1 755834021 XUAKUEKWXQBHJQ-UHFFFAOYSA-N 400.438 -0.218 50 20 HBGD CN(C)C(=O)Cn1cnc(NC(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)n1 756770860 OXJJJYLZZQJLPV-UHFFFAOYSA-N 412.451 -0.176 50 20 HBGD CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C 765323467 QPXRYYIOKLMFLW-CYBMUJFWSA-N 413.475 -0.434 50 20 HBGD C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)CNc1ccccc1 770952181 LGIZGSHDPWFTCI-GFCCVEGCSA-N 419.463 -0.288 50 20 HBGD COC(=O)CNC(=O)NNS(=O)(=O)c1ccc(C(=O)O)cc1Br 779847354 ZDAHYKYLMFCVMK-UHFFFAOYSA-N 410.202 -0.187 50 20 HBGD CN(C)CCOc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)cc1 784002248 MROPULFLQBLSKA-UHFFFAOYSA-N 417.422 -0.264 50 20 HBGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1ccc(-n2nccn2)cc1 784004282 VMQASJFMFHZSQI-UHFFFAOYSA-N 413.419 -0.155 50 20 HBGD NC(=O)c1cccc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)c1 797369373 UELSKIBJAZWASX-UHFFFAOYSA-N 413.390 -0.202 50 20 HBGD CN1CCN(C(=O)c2ccccc2NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)CC1 815778105 CAJZSPJJPOKHRJ-OAHLLOKOSA-N 403.439 -0.661 50 20 HBGD CC(C)[C@@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782210283 MTGJYSFSQBCOME-XFQXTVEOSA-N 412.531 -0.110 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783938094 SVKXPBKKEXESNG-CXAGYDPISA-N 404.895 -0.557 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)c1cnc(O)nc1O 1787428429 WUGZTIWVPLWSQL-IXLVHKGHSA-N 400.819 -0.919 50 20 HBGD CCC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNCP(=O)(O)O)C2 1793447093 GPKBPGUAFWVJGP-OPDFLTKYSA-N 411.823 -0.292 50 20 HBGD CNCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796440248 JMFLEYCGMWOUID-SNOXVSQISA-N 418.498 -0.290 50 20 HBGD COC[C@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)CCl)C2 1797966985 UCGPWCSBBWMLCZ-XGUBFFRZSA-N 403.907 -0.008 50 20 HBGD CS(=O)(=O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Br 1799346175 GZTFNRZUWDSVLX-OEIWMXHLSA-N 401.254 -0.689 50 20 HBGD O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Br 1800156739 AGCFIRPWCPGEKH-IRHRITDKSA-N 405.224 -0.087 50 20 HBGD COC1(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)CCC1 1801612845 CJNNYHPXIYZQBC-HGKCTWBKSA-N 416.283 -0.471 50 20 HBGD CNC(=O)CC(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1803478022 YSFGFWVDTHDLIB-OXJNMPFZSA-N 424.266 -0.783 50 20 HBGD O=C(c1ccc(F)nc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731419 LJLSVCHEZFPMMS-GUYCJALGSA-N 401.822 -0.110 50 20 HBGD COC(OC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1831040702 GGNZODVHRWJZKU-XHDPSFHLSA-N 409.277 -0.155 50 20 HBGD CC(=O)C(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1834385381 KLKHSUANNSPHKU-UHFFFAOYSA-N 416.482 -0.541 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CC3CC3)C2)C1 1837457923 WPIXGCKWOBMWPM-HXUWFJFHSA-N 417.466 -0.445 50 20 HBGD CCCCn1c(N)c(N(C)CC(=O)NNC(=O)Cc2nc(C)cs2)c(=O)[nH]c1=O 11237583 KUDHKIHASFTFLT-UHFFFAOYSA-N 423.499 -0.490 50 20 HBGD C[C@H]1CN(CCC(=O)NNC(=O)CN2C(=O)NC3(CCCCC3)C2=O)C[C@@H](C)O1 732260606 WHBCTJDTPVVXTH-OKILXGFUSA-N 409.487 -0.112 50 20 HBGD COc1cc(C(=O)NNC(=O)C(=O)N2CCCC2)ccc1OCC(=O)NC(C)C 748239659 KPTYCGVCRIUZSO-UHFFFAOYSA-N 406.439 -0.018 50 20 HBGD C[C@@H]1CN(C)CC1=NNC(=O)C[C@H](C(=O)NN=C1CN(C)C[C@H]1C)N1CCOCC1 752166089 PUXUFEJGIQJGFX-IIDMSEBBSA-N 421.546 -0.815 50 20 HBGD Cc1cc(C)c(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 755004075 WNWXEYKWUZVSJN-JTQLQIEISA-N 406.442 -0.109 50 20 HBGD Cc1csc(CC(=O)NNC(=O)COC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)n1 758506658 LXZPPXKPRCNQFE-VXGBXAGGSA-N 422.463 -0.140 50 20 HBGD CC(C)OCCS(=O)(=O)NCC(=O)NNc1nccc(N2CCOCC2)n1 762851098 ARSMKJXKVSTMBF-UHFFFAOYSA-N 402.477 -0.899 50 20 HBGD Cc1ccc(Br)cc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764234481 YFFXPOVPTARAJB-MRVPVSSYSA-N 421.273 -0.219 50 20 HBGD C[C@H](OCc1ccccc1)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765728873 TVNWNMMEHQGFCC-LBPRGKRZSA-N 414.422 -0.814 50 20 HBGD Cc1[nH]nc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1[N+](=O)[O-] 766653744 SXPXEKUMJMQLCX-UHFFFAOYSA-N 415.410 -0.155 50 20 HBGD CN1CCN(c2ccccc2NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)CC1 783426500 MEGCDABCTPAAJR-SFHVURJKSA-N 409.512 -0.425 50 20 HBGD O=C(NNC(=O)C(=O)N1CCCC1)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 807610305 ZMOPVVVHXNECNF-ZDUSSCGKSA-N 409.468 -0.598 50 20 HBGD CCCCS(=O)(=O)N1CCC(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)CC1 1317939569 LKNAOPWRIJSDEJ-CYBMUJFWSA-N 409.530 -0.590 50 20 HBGD C[C@@H]1CN(c2ccc(C(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)cn2)C[C@@H](C)O1 1317958966 JTDFXXFVURBXPG-YRGRVCCFSA-N 411.484 -0.174 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1783874839 HPEPRTKTSXRYPL-CRAIPNDOSA-N 410.663 -0.936 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)C(=O)c1cccn1C)CCO2 1783937349 GODMERVHNCZWDA-FQEVSTJZSA-N 419.482 -0.589 50 20 HBGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2)N1C[C@@H]2C[C@H]2C1 1797637511 MENYWZOJVBFLKK-XRLWNKCISA-N 421.542 -0.711 50 20 HBGD CCn1nccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801009588 PINZQSPBEISYCN-ZSBFGKGUSA-N 406.487 -0.521 50 20 HBGD C[C@H](CC(N)=O)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833306650 VRDOLPBFQZOQOO-IUODEOHRSA-N 402.923 -0.331 50 20 HBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncnn3C)CCO2)C1 1833845551 TYCWPJSYZHZNCO-NHYWBVRUSA-N 416.276 -0.332 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)C1CCC1)CCO2 1834633314 NGKBUFKGGLQKLK-FQEVSTJZSA-N 402.256 -0.764 50 20 HBGD O=C(/C=C/C1CC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835926494 PBNHKGQZWPTXTL-RPZUPEABSA-N 414.267 -0.597 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3nccn3)C2)C1 1839154129 CANGOIXKDWZKBT-JKSUJKDBSA-N 420.297 -0.029 50 20 HBGD CN1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)C1 1840571822 RHORQYCDHCQKRY-SWLSCSKDSA-N 408.268 -0.305 50 20 HBGD CC(=O)O[C@@H](C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1)C(C)C 1843014129 APYQDXUQNLKIJI-QGZVFWFLSA-N 402.256 -0.229 50 20 HBGD CN1CCC[C@H](C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)C1 1844264832 MGRYTMWUAPWYBN-AWEZNQCLSA-N 400.483 -0.156 50 20 HBGD C[C@@H](Nc1cnccn1)C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1844278154 FDXBOWPREDBFRC-CQSZACIVSA-N 409.255 -0.526 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2ccnc(Cl)n2)C1 1844450858 IIQICMQPFMIOMS-UHFFFAOYSA-N 400.631 -0.059 50 20 HBGD Cc1ccc(C(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)cc1S(N)(=O)=O 21038511 HZAUHPQHFMALCN-UHFFFAOYSA-N 401.404 -0.046 50 20 HBGD CC(C)N(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1 729276018 VLRWBUGELZOFEX-NSHDSACASA-N 420.513 -0.586 50 20 HBGD O=C(Cn1ccc2ccccc21)NNC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 729507356 SZAYRVYQSMXALS-UHFFFAOYSA-N 412.450 -0.195 50 20 HBGD CC(=O)N[C@H](C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1)C(C)C 735117103 NYHQNEXKIWKWCR-HNNXBMFYSA-N 412.516 -0.379 50 20 HBGD O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)c1ccc2c(c1)OCCO2 742503201 UTSXMQIRMYEJLB-OMNBBPDLSA-N 415.402 -0.229 50 20 HBGD NS(=O)(=O)c1cnn(CC(=O)OCC(=O)NNC(=O)c2cccc(Cl)c2)c1 748428506 ORLPGYAZSKUDSK-UHFFFAOYSA-N 415.815 -0.812 50 20 HBGD COC(=O)c1cc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc(C(=O)OC)c1 756031969 MWMAYXPSBWZSNA-MRVPVSSYSA-N 416.412 -0.650 50 20 HBGD CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 756687380 YYQREJFOTJOTDY-VIFPVBQESA-N 422.460 -0.337 50 20 HBGD C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)NNC(=O)CNC(=O)c1ccco1)C2=O 756964428 BBFDNMFSLOUOKL-VXGBXAGGSA-N 419.438 -0.097 50 20 HBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)n1 762965547 ZOHUBXRBLGDEHI-GFCCVEGCSA-N 422.467 -0.887 50 20 HBGD C[C@@H]1CCc2sc(C(=O)NNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)cc2C1 763942898 PPMMARMZZSDDLC-RKDXNWHRSA-N 402.498 -0.573 50 20 HBGD COc1cc(OC)c(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1Cl 764230789 LEBGIHHWMGDQFJ-ZETCQYMHSA-N 422.847 -0.619 50 20 HBGD CSc1c(F)cc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1F 764231724 PHDCBDHWCXNMFT-LURJTMIESA-N 410.424 -0.290 50 20 HBGD O=C(CCC(=O)N1CCN(c2ccccc2)CC1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 764614088 FUJLQOLYHLZKIH-OAHLLOKOSA-N 422.507 -0.303 50 20 HBGD C/C(=C/C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(F)cc1 765727023 IMVVIHMVYZAXCD-FLIBITNWSA-N 414.397 -0.176 50 20 HBGD NC(=O)CSCC(=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 766670744 YWJXRIQDEWVKIX-UHFFFAOYSA-N 413.931 -0.177 50 20 HBGD CCn1cc(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cn1 780155059 QFZSIDOSWIHUIT-UHFFFAOYSA-N 421.479 -0.072 50 20 HBGD C[C@@H]1CCC(=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)[C@H](n2cncn2)C1 794489005 VWSKBNIGKFYSNT-ZYHUDNBSSA-N 406.472 -0.304 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cccc(Br)c1F 799123131 OPHXOPUNGZMXFY-ZCFIWIBFSA-N 418.266 -0.165 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 799920939 MGKWIDDWZQROQJ-ZETCQYMHSA-N 414.387 -0.176 50 20 HBGD O=C(COC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NNC(=O)c1cccs1 845924277 WFKLYLWAOVTIBP-FCIDVOKBSA-N 403.416 -0.141 50 20 HBGD COc1cccc(C(=O)NNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c1O 919755719 ABXAHSURQNMEPV-QWRGUYRKSA-N 411.436 -0.803 50 20 HBGD O=C(COC(=O)Cn1cc(C2CC2)nn1)NNC(=O)[C@H]1COc2ccccc2O1 1252981848 UUKRJHXOJPVMPX-OAHLLOKOSA-N 401.379 -0.314 50 20 HBGD CCS(=O)(=O)c1ccc(CCC(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 1253671766 PQRUUSMCXCWXLS-ZDUSSCGKSA-N 417.509 -0.070 50 20 HBGD CC(=O)NCC(=O)N1CCc2cc(C(=O)N([C@@H]3CCS(=O)(=O)C3)N(C)C)ccc21 1324085975 KQUYBWLPRUNJSC-MRXNPFEDSA-N 422.507 -0.182 50 20 HBGD C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1)N1CCN(C)CC1 1781089877 KLBKSBMPMYTVKT-RKVPGOIHSA-N 402.923 -0.948 50 20 HBGD CCN(C)[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1782609744 CZUXNVKGPMEUBV-QRWLVFNGSA-N 403.288 -0.850 50 20 HBGD CC(=O)N[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl)C(C)(C)C 1792975336 QPPDJCNTZRVGSK-KHMAMNHCSA-N 403.907 -0.274 50 20 HBGD COC[C@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2 1797968137 KUMDZJDLXYTYAV-PPCPHDFISA-N 424.267 -0.582 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccncc1 1799110158 FMESGFAFHCMTSI-CCWDJLKJSA-N 424.461 -0.474 50 20 HBGD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1800954731 XQWLNTXNOYDJPX-AYCBFJCHSA-N 414.886 -0.069 50 20 HBGD C[C@H](CN)C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807012714 YDLUSEHTUSFTGC-BJZITVGISA-N 410.283 -0.324 50 20 HBGD Cc1nn[nH]c1C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809978569 YFSURYHKJXRNOB-UHFFFAOYSA-N 411.271 -0.048 50 20 HBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)[C@@H](O)CCl 1814870168 KXNOKRVJLRTTKB-CABCVRRESA-N 420.662 -0.005 50 20 HBGD Cc1nocc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1834340340 MOCXFFVFXJKVOV-IBGZPJMESA-N 423.470 -0.574 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)cco3)CCO2)C1 1834608692 WCDGFKZPBWFVJE-KDOFPFPSSA-N 414.842 -0.036 50 20 HBGD O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NNC(=O)COc1ccccc1O 730780870 XMQJUPCETBONNJ-UHFFFAOYSA-N 404.404 -0.343 50 20 HBGD C[C@H](C(=O)N(C)CC(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)n1cccn1 734239859 XRWNKGSJHIEZKW-GFCCVEGCSA-N 411.463 -0.242 50 20 HBGD COc1cc(C)nc(NNC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)n1 746626132 XLOZFTAKKRLQKJ-LLVKDONJSA-N 420.451 -0.063 50 20 HBGD O=C(NNC(=O)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1)C(=O)N1CCCC1 748240506 GOYOOXJOCBHTMH-KBPBESRZSA-N 408.455 -0.262 50 20 HBGD Cc1cccnc1C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 752241182 UXHAPBCKPJCMHP-LLVKDONJSA-N 405.436 -0.383 50 20 HBGD Cc1cc(C(=O)NNC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)c2ccccc2n1 754777410 JCTWDXARGKKZJB-UHFFFAOYSA-N 421.417 -0.248 50 20 HBGD CCOCCS(=O)(=O)NCC(=O)NNC(=O)Cn1c(CC)nc2ccccc21 758157364 HJLXFRLMDPETDF-UHFFFAOYSA-N 411.484 -0.298 50 20 HBGD COC(=O)N[C@@H](C)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 761192020 QQGRXMYSPIWVNR-NSHDSACASA-N 414.440 -0.787 50 20 HBGD CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNC(=O)CC(F)(F)F)CC2 764115624 BKCSJARNRLSQKY-UHFFFAOYSA-N 422.385 -0.026 50 20 HBGD CN(C1CCCCC1)S(=O)(=O)c1ccccc1NC(=O)C(=O)NNC(=O)CO 764422182 WBOILBKUWYVLFS-UHFFFAOYSA-N 412.468 -0.282 50 20 HBGD O=C(COC(=O)CNC(=O)c1cccnc1)NNC(=O)[C@@H]1COc2ccccc2O1 767616203 VZYVYAQKBHTYTN-HNNXBMFYSA-N 414.374 -0.658 50 20 HBGD Cn1ncc2c(O)nc(NNC(=O)NCCNS(=O)(=O)Cc3ccccc3)nc21 770339102 CWRQTRLHVKFEBJ-UHFFFAOYSA-N 420.455 -0.185 50 20 HBGD C[C@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)[C@@H]1CN(C)CCO1 770436754 ZRXLXRJDGSMWBE-WFASDCNBSA-N 413.500 -0.400 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)cc1C 798309117 HSLBYSGXJGQYAO-GFCCVEGCSA-N 422.467 -0.510 50 20 HBGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 815267523 XZFCRBAOSGCIEG-CQSZACIVSA-N 412.468 -0.856 50 20 HBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1nc2ncc(Br)cn2n1 1115885709 YJTWRVPMYINVKS-ZCFIWIBFSA-N 403.218 -0.918 50 20 HBGD O=C(Cn1cc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cn1)NC1CCCCC1 1318873072 QJTBXXOZDJVILT-LBPRGKRZSA-N 411.484 -0.472 50 20 HBGD C[C@H](C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)N1C[C@@H]2C[C@H]2C1 1778863377 IYGFWYPICXKLKV-JJDSTIRJSA-N 421.542 -0.471 50 20 HBGD N#CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779371280 ZLUULYXEIKOKTL-DNVCBOLYSA-N 400.439 -0.274 50 20 HBGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1 1782746174 YLOLRSRZEMRYTC-YVEFUNNKSA-N 403.863 -0.233 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)CCc3ncc[nH]3)C2)C1 1784271981 YVGDCMKKDLSHTG-LJQANCHMSA-N 406.487 -0.455 50 20 HBGD COC[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1784609217 NESKILLIOYIFCJ-OQUILHJVSA-N 419.482 -0.439 50 20 HBGD O=C(CC[C@H]1CCOC1)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1784808177 HARILPQFPWYLHC-HRAATJIYSA-N 416.283 -0.373 50 20 HBGD COCCn1nccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1787624076 BUZRKJJXDQQKFO-SDADXPQNSA-N 414.890 -0.278 50 20 HBGD CN(CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)CCl)C[C@@H]21)C(=O)C(=O)O 1790634642 MJWCRJQZSXOJAP-AVGNSLFASA-N 417.890 -0.226 50 20 HBGD CC(=O)C[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1791217201 RUWFCBXKNWEZSF-JXIYXGQPSA-N 416.283 -0.425 50 20 HBGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCNC1=N 1795582173 ONVPGEAXDZNOBL-OPDFLTKYSA-N 416.320 -0.411 50 20 HBGD Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)cc1O 1795736273 USHUEQBRBNOTGS-XEMDLRDOSA-N 424.262 -0.103 50 20 HBGD CC(C)(NCCC#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1796045005 KGDIKOKWFWNDOQ-BCDXTJNWSA-N 412.299 -0.100 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc(B(O)O)cc1 1798685942 QJCDTASPHDEZQW-BTTYYORXSA-N 413.199 -0.437 50 20 HBGD COC(OC)C(=O)N1CCCC2(CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1 1805770849 DZEAOGFFDGWMLQ-UHFFFAOYSA-N 404.272 -0.170 50 20 HBGD Cc1nccn1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830735701 LYSMVNIYSKMHBF-RHSMWYFYSA-N 400.863 -0.752 50 20 HBGD CN(C)C(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1835431384 MMAZGQUXTZMMOV-KRWDZBQOSA-N 401.536 -0.618 50 20 HBGD CC(C)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835929540 VCJKRKRHIREMND-FQEVSTJZSA-N 404.272 -0.518 50 20 HBGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1839865543 HKRQWNNEYQOSKS-ABAIWWIYSA-N 406.277 -0.508 50 20 HBGD Cn1cccc1C(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840481169 GOJNVEFOXLAGJZ-KDOFPFPSSA-N 413.858 -0.736 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3c[nH]c(C(N)=O)c3)cc2)CC1 728214607 BUFVVYOPSFIDIN-UHFFFAOYSA-N 406.468 -0.193 50 20 HBGD CCOc1ccc(C(=O)NNC(=O)[C@@H]2CCCN2C(=O)CNC(C)=O)cc1OC 728513121 RWYZHCZJQHQGGZ-AWEZNQCLSA-N 406.439 -0.018 50 20 HBGD O=C(CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NNC(=O)c1ccc([N+](=O)[O-])cc1 742462962 IWKBHAMNBOMGDV-QHSBEEBCSA-N 402.363 -0.092 50 20 HBGD Cc1nc2ccccn2c1C(=O)NNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 746385431 CKFZGNOTDFDLKY-OAHLLOKOSA-N 414.466 -0.416 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNC(=O)Cc2ccncc2)c1 747515785 RVPBKKYJJCERGA-UHFFFAOYSA-N 419.463 -0.548 50 20 HBGD O=C(COc1ccccc1O)NNC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 747572415 VUZFIRUJRHQDOW-UHFFFAOYSA-N 418.410 -0.321 50 20 HBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cn(-c2ccc(C(F)(F)F)cn2)nn1 751063790 SAOHWWKXOPHSGC-MRVPVSSYSA-N 418.357 -0.123 50 20 HBGD O=C(NNC(=O)[C@H]1CC(=O)N(CCOc2ccccc2Cl)C1)C(=O)NC1CC1 751562253 IFPXCUVUGGKWMZ-NSHDSACASA-N 408.842 -0.007 50 20 HBGD Cc1c(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c(=O)n(-c2ccccc2)n1C 755319675 IIPXZDIZWRLKLL-JTQLQIEISA-N 410.456 -0.425 50 20 HBGD C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNC(=O)Cn1ccc2ccccc21 755329331 UAFUPTGNSIQKIT-GFCCVEGCSA-N 404.452 -0.111 50 20 HBGD CC(=O)Nc1ccc(Cl)c(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 764226014 DQFHLXGQNVUFDM-SSDOTTSWSA-N 419.847 -0.678 50 20 HBGD CC(C)(O)C(=O)NNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 768244559 LSQPNUOAAJTJEV-GFCCVEGCSA-N 400.413 -0.334 50 20 HBGD O=C([C@@H]1CCCCS1(=O)=O)N1CCN(S(=O)(=O)CBr)CC1 773615894 ZCHONOOWAFWFDX-JTQLQIEISA-N 403.320 -0.220 50 20 HBGD CS(=O)(=O)c1cccc(NNC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)c1 776540574 YBWLGJMNWZVWTB-AWEZNQCLSA-N 410.496 -0.286 50 20 HBGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)Cn1cc([C@H](C)O)nn1 777112501 FDIYGQXNWKPHGW-VIFPVBQESA-N 411.802 -0.002 50 20 HBGD O=C(CNC(=O)c1cccnc1)NNC(=O)CN1C(=O)C(F)(F)Oc2ccccc21 794385013 YLTMNLXAMXQMCS-UHFFFAOYSA-N 419.344 -0.023 50 20 HBGD Cc1ccc(CN2C[C@@H](C(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)CC2=O)cc1 919886899 XGSVUZCLMHXSOW-GJZGRUSLSA-N 408.480 -0.139 50 20 HBGD Cn1nc(C(=O)NNC(=O)NCCS(=O)(=O)CC2CC2)c2ccccc2c1=O 1324020993 FYEDXGPDMHQLFW-UHFFFAOYSA-N 407.452 -0.298 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ncon2)C1 1779935745 HDZUSIQWHOVRQM-FZKQIMNGSA-N 408.459 -0.430 50 20 HBGD CCNC(=S)NCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](Cl)COC)C2)C1 1783883988 YGLAPZBJGLOILS-MLGOLLRUSA-N 406.936 -0.446 50 20 HBGD CC[C@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)Br)C2 1796321982 KBCTXPULSFHHBQ-SVNGYHJRSA-N 405.293 -0.194 50 20 HBGD CC(C)O[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1797860206 QTDVFILOUWVZPO-SCNOPHJPSA-N 404.272 -0.617 50 20 HBGD C[Si](C)(C)OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@@H](N)C(N)=O)C2 1797954724 CMEQDWBXLGQOMQ-OQMKEHIESA-N 400.552 -0.980 50 20 HBGD O=C(CN1CCOCC1)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](O)CCl)CC2 1814558330 QBQDOXMTZXXVBF-ZYHUDNBSSA-N 402.904 -0.013 50 20 HBGD Cc1nn(C)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1831867535 KPRIKIRPXPLFTR-WMLDXEAASA-N 400.863 -0.602 50 20 HBGD C[C@](O)(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1)C(F)(F)F 1832149642 BCZXIEFCDHLRBU-SWHYSGLUSA-N 418.796 -0.644 50 20 HBGD CN[C@@H](CC(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1)C(=O)O 1833309101 NNGIOVVKZYUJLT-GJZGRUSLSA-N 418.922 -0.780 50 20 HBGD Cn1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)CO[Si](C)(C)C)CCO3)C2)n1 1837712621 ZZAXRZRKJJOMBP-QGZVFWFLSA-N 411.535 -0.263 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSC(=N)N)C2)C1 1840032062 MSJRTATVSIBBFD-IINYFYTJSA-N 423.333 -0.147 50 20 HBGD Cn1cccc1C(=O)C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844265587 RKQQAKXNVJPIQV-UHFFFAOYSA-N 410.434 -0.277 50 20 HBGD CC(C)S(=O)(=O)CC(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 728331082 AETKXFHQNVNSAQ-CYBMUJFWSA-N 400.409 -0.660 50 20 HBGD Cc1cccc(-c2nnc(S)n2CC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 729276126 XKJKRAKQYRZZMB-SNVBAGLBSA-N 412.497 -0.373 50 20 HBGD C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NNC(=O)C(C)(C)C)CC2)C[C@@H](C)O1 731499572 VECJGLVFANHXRG-CHWSQXEVSA-N 405.521 -0.255 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)N1CCn2c(nnc2C(F)(F)F)C1 740043380 GQCYJZSFUZVPBW-UHFFFAOYSA-N 401.305 -0.124 50 20 HBGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)Cc2ccc(S(N)(=O)=O)cc2)cc1 744951442 YYJQPGXLWVBBHP-UHFFFAOYSA-N 416.415 -0.247 50 20 HBGD COc1cc(OC)cc(-n2nnnc2CN(C)C(=O)NNC(=O)[C@@H]2COCCO2)c1 752019544 QJIYUIDNOYRUCQ-AWEZNQCLSA-N 421.414 -0.733 50 20 HBGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2C)n1 763880211 CSCDOFDBEUUBRM-UHFFFAOYSA-N 407.452 -0.002 50 20 HBGD CC(C)n1cc2cc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)ccc2n1 764234308 XGXJKAKIOLDKQR-JTQLQIEISA-N 410.456 -0.359 50 20 HBGD C[C@H](C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)S(=O)(=O)C1CCOCC1 765551712 HMPAAHKJSAONMP-LLVKDONJSA-N 422.504 -0.176 50 20 HBGD CC(C)CS(=O)(=O)CC(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766644408 VINXIIRKOQSKRW-UHFFFAOYSA-N 424.523 -0.337 50 20 HBGD C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)CNS(=O)(=O)c1cn(C)cn1 772969461 YSROUVPCKFEBEL-SNVBAGLBSA-N 415.859 -0.033 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(C)(C)N2CCOCC2)cc1 801104183 ZGRGSWYTIFTELX-UHFFFAOYSA-N 412.512 -0.126 50 20 HBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2cnn(CCF)c2)CC1 806873027 QYRSHFLBBOCHGG-UHFFFAOYSA-N 411.463 -0.059 50 20 HBGD O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1)N[C@@H]1CCS(=O)(=O)C1 919885964 OIKLWACXBPKJIF-MWLCHTKSSA-N 416.406 -0.165 50 20 HBGD O=C(NNC(=O)c1nc(N2CCCC2)ncc1Cl)N[C@H]1CCS(=O)(=O)C1 1319917916 MFCICRMXYWDJRP-VIFPVBQESA-N 402.864 -0.139 50 20 HBGD CN1CC(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2ccc(B(O)O)cc2)C3)C1 1782746788 SJFRWHHAAGDAMF-WIYYLYMNSA-N 415.299 -0.945 50 20 HBGD Cc1n[nH]c(C)c1C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783935155 OLVPFDDDMLNUCU-IBGZPJMESA-N 406.487 -0.157 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)C(C)(C)C)[C@H]2C1 1784030364 RHYBFHQZGCNFDP-XSWJXKHESA-N 412.531 -0.254 50 20 HBGD C[C@@](O)(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1)C(F)(F)F 1784085385 IFGVOXQSLFXBFH-MMROJZCPSA-N 402.797 -0.121 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 1789347531 QUQLTFSPTDBZOR-ZOBUZTSGSA-N 416.482 -0.147 50 20 HBGD C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21)n1cncn1 1791615680 MXHYXHDVSFMZLY-VGWMRTNUSA-N 421.502 -0.808 50 20 HBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CNC(=O)O1 1793648947 KPVHVJOCNHVGTA-MIJXAVMKSA-N 402.411 -0.955 50 20 HBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)Cn1cncn1)CC2 1826085237 KUMCKBPAYOEEPQ-NSHDSACASA-N 420.499 -0.280 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834760845 SPDDEZXAHGHLPG-VZMFNRANSA-N 416.438 -0.510 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)/C=N/N2CCCCC2)C1 1844259484 VSIJLHYMAWWOBV-FSJBWODESA-N 413.482 -0.026 50 20 HBGD O=C(CCn1nnc2ccccc2c1=O)NNC(=O)c1n[nH]c(=O)c2ccccc12 21039276 VKZILQMIWZONPK-UHFFFAOYSA-N 405.374 -0.121 50 20 HBGD COC(=O)c1cccc(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1C 731177055 BQIVUFYGQGZZQX-SNVBAGLBSA-N 405.454 -0.539 50 20 HBGD Cc1cc(F)c(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 742028436 LTKSHSLPJCJGRZ-MRVPVSSYSA-N 410.405 -0.278 50 20 HBGD CCN(CC)C(=O)CN1CCN(CC(=O)NNC(=O)c2cccc(C#N)c2)CC1 744384559 LWBYHLGTEBGJNG-UHFFFAOYSA-N 400.483 -0.195 50 20 HBGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)Cn2c(O)nc3ccccc3c2=O)cc1 744718529 GZONJJXVALWNDF-UHFFFAOYSA-N 421.369 -0.022 50 20 HBGD NS(=O)(=O)c1ccc(OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 749715931 WOTACHWIYMXYJY-OAHLLOKOSA-N 407.404 -0.300 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 755141040 ZUZJTFXVGKTRRQ-UOVKNHIHSA-N 415.406 -0.853 50 20 HBGD Cn1nc(SCC(=O)NN=Cc2nn[nH]c2-c2ccccc2)c(=O)n(C)c1=O 755619356 JZPOJNFXBZMWQH-UHFFFAOYSA-N 400.424 -0.494 50 20 HBGD C[C@@H](O)c1cn(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)nn1 763015339 ZINROOIPUWHOIQ-GFCCVEGCSA-N 422.467 -0.423 50 20 HBGD COc1cc(C=NNC(=O)CNC(=O)c2cccnc2)cc(OC)c1OCC(N)=O 763194874 HVUCIFTVIVKRFB-UHFFFAOYSA-N 415.406 -0.157 50 20 HBGD CNS(=O)(=O)c1ccc(CCC(=O)NNC(=O)CNC(=O)c2cccnc2)cc1 763818976 SOCBOTJSEPLQFD-UHFFFAOYSA-N 419.463 -0.500 50 20 HBGD CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 764615843 LTXKYGYVOXATQY-VXGBXAGGSA-N 405.473 -0.406 50 20 HBGD CCCCCCn1cc(S(=O)(=O)NNC(=O)N2CCOCC2)c(O)nc1=O 769624319 KDLJVACHLFXPIV-UHFFFAOYSA-N 403.461 -0.236 50 20 HBGD COc1cc(F)cc(NNC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)c1 785236236 BISOBTFENJPARE-UHFFFAOYSA-N 420.401 -0.029 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 801105527 GPNSKWWFVKAATJ-HNNXBMFYSA-N 417.466 -0.738 50 20 HBGD Cn1cc(N2CC[C@H](NC(=O)NNC(=O)c3csc(N4CCOCC4)n3)C2)cn1 1318619711 CASLPEPMFNRCGM-LBPRGKRZSA-N 420.499 -0.064 50 20 HBGD CN(C)C1CCN(CCNC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)CC1 1320247681 PSZJFLIACQTTDH-UHFFFAOYSA-N 415.498 -0.097 50 20 HBGD Cn1nc(Br)c2c(=O)n(CC(=O)NNC(=O)Cc3cc[nH]n3)cnc21 1337766138 LCYMNBLDINGYNT-UHFFFAOYSA-N 409.204 -0.994 50 20 HBGD COc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)nc1 1783934958 NVUCITFPCRHCMW-FQEVSTJZSA-N 419.482 -0.093 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(F)cn1C)CCO2 1783935633 WVMUWLQICLLTOI-LJQANCHMSA-N 409.462 -0.019 50 20 HBGD CCNC(=S)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784094823 ULVZJFKLVCMOTG-RVMXOQNASA-N 406.936 -0.950 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccncc3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979414 GEGAVVAZRQJJAK-WDSOQIARSA-N 409.251 -0.332 50 20 HBGD CC(=O)N/C(C)=C/C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791293689 AKNFVLJEPBPXOI-NJAOAXOHSA-N 423.514 -0.621 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCCCO1 1792563214 HDCONVCFLIIGNA-RMHZUWNSSA-N 417.466 -0.543 50 20 HBGD CC[C@H](NC(N)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798440245 IKHKXKOJBUODLW-OXIQGZBJSA-N 417.470 -0.616 50 20 HBGD O=C(NC[C@H]1CCN(C(=O)C2CC(O)C2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807361369 WVGXUTCTRAKBCA-OYGLOCFBSA-N 423.278 -0.148 50 20 HBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@H](O)CCl)[nH]n1)[C@H](O)N1CCOCC1 1819441562 FPGFJNPABCTDAW-AHIWAGSCSA-N 415.878 -0.348 50 20 HBGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)COCCO)[nH]n1 1822415628 MCUOJKANKGHBJY-CQSZACIVSA-N 410.475 -0.216 50 20 HBGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CNC(N)=O)[nH]n1 1822417196 CENHLXZHQBILED-GFCCVEGCSA-N 408.463 -0.557 50 20 HBGD O=C(COc1cccnc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830726994 ZCJMYTVNYROPJK-YJBOKZPZSA-N 413.858 -0.484 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCCC3=O)CCO2)C1 1835413545 DPFBOZIJUFZQGL-RDTXWAMCSA-N 417.890 -0.681 50 20 HBGD O=C1NC[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)[C@@H](F)Br)CCO3)C2)O1 1839198820 OAKPAKOEHBIEIM-RBZYPMLTSA-N 424.223 -0.758 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCOC3=O)C2)C1 1840151332 YPBGHFBRSRTYGC-DYVFJYSZSA-N 419.862 -0.851 50 20 HBGD COCCOCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](Cl)COC)CCO2 1840151405 AIVMJTOFDCBXKN-WMLDXEAASA-N 408.879 -0.640 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C(/C)C(=O)O)C2)C1 1840156465 PPMKLGXRXGFAGX-MWZXSIIFSA-N 404.847 -0.273 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2c(O)cc(O)cc2O)C1 1845420762 QWFYEWFLRUHIIC-UHFFFAOYSA-N 412.207 -0.386 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 729274803 DHKXLSJHNZCNSE-ZFWWWQNUSA-N 410.496 -0.447 50 20 HBGD C[C@@H]1CN(CC(=O)NNC(=O)c2ccc(C#N)cc2)CCN1c1nccn2cnnc12 749450075 PQKYGVITOXJZIK-CQSZACIVSA-N 419.449 -0.032 50 20 HBGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)c(C)o1 751364446 OIEVGHJUBXXDOE-GHMZBOCLSA-N 402.473 -0.244 50 20 HBGD COC(=O)c1cc2c(cc1NC(=O)C(=O)NNC(=O)Cc1ccncc1)OCO2 753840402 JRUDTPXVFCYABG-UHFFFAOYSA-N 400.347 -0.075 50 20 HBGD Cc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)C(=O)Nc2ccccn2)cc1 758840970 VBFWEFLAZLACGW-UHFFFAOYSA-N 405.436 -0.155 50 20 HBGD CNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)c2ccc(C#N)cc2)c2ccccc2O1 764177442 NWVCDPKBOLNPDO-MRXNPFEDSA-N 407.386 -0.141 50 20 HBGD CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)C(=O)NNC(=O)CO)c1 764429155 ONIKIDRNBBCMOB-UHFFFAOYSA-N 400.457 -0.588 50 20 HBGD CCc1ccc(S(=O)(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 765125309 NLLQUIFWBPADRB-UHFFFAOYSA-N 420.451 -0.994 50 20 HBGD COc1ccccc1NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765312287 CHCAODWNKWXPHW-UHFFFAOYSA-N 401.383 -0.705 50 20 HBGD CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNC(=O)C(C)(C)O)c2)CC1 768248414 ZACNOCFVFUABCG-UHFFFAOYSA-N 412.468 -0.929 50 20 HBGD Cc1ccc(S(=O)(=O)NCC(=O)NNC(=O)CNC(=O)c2cccnc2)cc1C 810571846 FJNVRXDTHDCBAO-UHFFFAOYSA-N 419.463 -0.446 50 20 HBGD Cn1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1=O 912893196 CPBNPMKHHCJVJW-UHFFFAOYSA-N 420.447 -0.519 50 20 HBGD O=C(COc1cccc(N2CCCC2=O)c1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919883070 AFEISZNTAUNSBS-LBPRGKRZSA-N 410.452 -0.290 50 20 HBGD C[C@@H]1CN(c2ccc(C(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)cn2)C[C@@H](C)O1 1317958951 JTDFXXFVURBXPG-BZPMIXESSA-N 411.484 -0.174 50 20 HBGD O=C(CCC(=O)N1CCN(c2ccccn2)CC1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1319180384 QTQJOCABSCTNAZ-CQSZACIVSA-N 423.495 -0.908 50 20 HBGD Cc1cc(=O)c(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)nn1-c1ccccc1F 1321948827 VLMRPCCPTJXONC-NSHDSACASA-N 423.426 -0.189 50 20 HBGD CCN(C)[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786983075 IEVNTBBNIWDHJQ-CBVHJVASSA-N 417.315 -0.700 50 20 HBGD O=C(CN1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1795428635 JDBVZOVWHVPVEL-XEMDLRDOSA-N 415.299 -0.945 50 20 HBGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@H](N)C(N)=O 1795638246 YLALZNCKAMQNEV-ZUDIRPEPSA-N 419.320 -0.658 50 20 HBGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(C(=O)O)ncn1)C2 1802332691 FMUXQNRNSZJBJI-CLLJXQQHSA-N 418.454 -0.200 50 20 HBGD O=C1CC[C@@H](C(=O)N2CCC3(CCCN(C(=O)c4ccc(B(O)O)cc4)C3)CC2)N1 1809968207 NSCSNBYKPCFYEQ-KRWDZBQOSA-N 413.283 -0.510 50 20 HBGD O=C(CCc1cn[nH]c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830727029 ZNCWIPDHCHVQJE-PBHICJAKSA-N 400.863 -0.602 50 20 HBGD CCc1nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)co1 1830732927 YSOBLQVQHXXHHE-GUYCJALGSA-N 401.847 -0.093 50 20 HBGD CCN1CCC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)CC1 1830738701 RSLLWXUXGKTJAY-QFBILLFUSA-N 417.934 -0.226 50 20 HBGD COc1nn(C)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1833860381 JNNYCMBWGZGYNZ-CXAGYDPISA-N 416.862 -0.902 50 20 HBGD O=C(COc1ccc(O)nn1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1839669053 FLGCEVAWNODNQQ-HOCLYGCPSA-N 418.809 -0.448 50 20 HBGD C/C=C/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839834363 YHBFZCJPXAYDND-MESDEOKJSA-N 414.267 -0.431 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccc(C)n3)C2)C1 1840150200 HJSHUIYQPSBLGC-MAUKXSAKSA-N 414.890 -0.098 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3cncn3)C2)C1 1840156574 VZNGDYIWMLWEOP-GRDNDAEWSA-N 415.878 -0.451 50 20 HBGD CC[S@](=O)CCC(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844264360 KXAMEYUUZUKYBB-NDEPHWFRSA-N 407.496 -0.339 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)CCc2ccc(O)nn2)C1 1845754674 PNZXBXVDMNRPRW-UHFFFAOYSA-N 410.239 -0.688 50 20 HBGD O=C(CCN1CCCC1=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 727704129 HLEZSMNIMRHHQN-UHFFFAOYSA-N 424.479 -0.519 50 20 HBGD O=C(NNC(=O)C(=O)N1CCCC1)N[C@H](Cc1ccccc1)CN1CCOCC1 732476732 UYYKBKDWKZQFGA-QGZVFWFLSA-N 403.483 -0.117 50 20 HBGD O=C(CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)NNC(=O)C1CC1 733193091 BOMGOASVYNJLJK-UHFFFAOYSA-N 411.440 -0.542 50 20 HBGD Cc1nc(-c2ccc(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc2)co1 735268015 URPIJSPGFQVZEC-SECBINFHSA-N 402.454 -0.103 50 20 HBGD Cn1cc(N2CC[C@H](NC(=O)NNC(=O)COc3ccccc3[N+](=O)[O-])C2=O)cn1 735583805 FTBGDWAWXHWSAI-LBPRGKRZSA-N 417.382 -0.157 50 20 HBGD CC(C)(C)OC(=O)N1CCN(CC(=O)NNC(=O)CNC(=O)c2ccco2)C(=O)C1 741184897 FELYJIRLQJZGNF-UHFFFAOYSA-N 423.426 -0.764 50 20 HBGD O=C(COC(=O)C[C@@H]1CCS(=O)(=O)C1)NNC(=O)[C@@H]1COc2ccccc2O1 750004981 PWEGZAXKYLAJBQ-FZMZJTMJSA-N 412.420 -0.658 50 20 HBGD Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)c1 763597641 QXAWVMLTHSTDMG-GFCCVEGCSA-N 414.484 -0.562 50 20 HBGD CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNC(=O)Cc1ccsc1)CC2 764034331 NHNKBUHSIZLGBV-UHFFFAOYSA-N 422.488 -0.065 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2cc(Cl)c3c(c2)OCO3)n(C)c1=O 764812752 QYEVFDJCWBWQJC-UHFFFAOYSA-N 418.797 -0.034 50 20 HBGD N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NNC(=O)c2ccccc2)cc1 769634519 QLROWGGRBIOUHB-UHFFFAOYSA-N 416.415 -0.159 50 20 HBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 771992757 NXYRBMZUIJVKDV-JTQLQIEISA-N 403.413 -0.597 50 20 HBGD COC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)COc1ccccc1OC 815565102 CNMNJKCQGOVBPT-UHFFFAOYSA-N 405.367 -0.620 50 20 HBGD COc1ccc(C(=O)NNC(=O)CN2CCCC2=O)cc1S(=O)(=O)N1CCCC1 920826156 IWOBLPVFYFQCGX-UHFFFAOYSA-N 424.479 -0.137 50 20 HBGD O=C(NNC(=O)[C@H]1CC12CCS(=O)(=O)CC2)c1csc(N2CCOCC2)n1 1326651959 OIHOSSFMZVCFTR-LLVKDONJSA-N 414.509 -0.044 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CC[C@@]2(CN(C(=O)CN3C(=O)CNC3=O)CCO2)C1 1781224674 MQZHPGWWRYQGEI-HZPDHXFCSA-N 421.281 -0.396 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21)[C@H](O)CCl 1784090929 FJSHQSYDISBFFY-XPXLGCRWSA-N 401.807 -0.489 50 20 HBGD COCCn1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)n1 1787635435 JZKGSXPNWLWHMA-SDADXPQNSA-N 414.890 -0.278 50 20 HBGD O=C(Cn1nnc2ccccc21)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1793709931 HJMZZYZMCFLDJM-DJZPMSPPSA-N 407.858 -0.379 50 20 HBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCC(=O)N1 1795824043 HANAXVAYAPPVJJ-NWJSVONSSA-N 400.439 -0.785 50 20 HBGD C[C@@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)O1 1797196106 UZRVXHKQUHAEPO-QMQAMEMWSA-N 402.256 -0.863 50 20 HBGD COC[C@@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2 1797968136 KUMDZJDLXYTYAV-NZEXEKPDSA-N 424.267 -0.582 50 20 HBGD Cc1cc(C)n(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)n1 1801009635 VFSSPLMPTWYBNW-CWPLJXCYSA-N 420.514 -0.537 50 20 HBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)c1nc[nH]n1 1817758165 RDKSVLVJQWWEKP-CQSZACIVSA-N 409.215 -0.173 50 20 HBGD CCc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)n(C)n1 1830733065 ZZPZESFXHBTHHS-QAPCUYQASA-N 414.890 -0.348 50 20 HBGD COC(OC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1831040701 GGNZODVHRWJZKU-NHYWBVRUSA-N 409.277 -0.155 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccnc3)CCO2)C1 1834389826 SCGYNKSVMABQLR-PBHICJAKSA-N 400.863 -0.407 50 20 HBGD CC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1834899676 XFZQSEPUOMFFFS-FQEVSTJZSA-N 404.272 -0.518 50 20 HBGD CN1CCN(CC(=O)N2CCO[C@]3(COCCN(C(=O)C(Cl)Cl)C3)C2)CC1 1836676371 INKOSTVWUOLPSZ-QGZVFWFLSA-N 423.341 -0.506 50 20 HBGD CCNC(=S)NCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](Cl)CC)C2)C1 1839655251 NPANMSQLTZOKNS-SUMWQHHRSA-N 420.963 -0.056 50 20 HBGD CCNC(=O)N[C@H](C)C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844264475 WNKFGIPJSWKMGA-GFCCVEGCSA-N 417.470 -0.790 50 20 HBGD COC(=O)[C@@H]1CC[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2ccc(B(O)O)cc2)C1 1847555268 MGCWCLVJVNBCEW-LMSBXDPUSA-N 414.267 -0.229 50 20 HBGD C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)C1=O 728385548 YMFXKQYSRNEOFL-GTNSWQLSSA-N 408.436 -0.964 50 20 HBGD CCN(CC)S(=O)(=O)CC(=O)NNC(=O)c1sc(N2CCOCC2)nc1C 735836020 AYGVSOOFPIUPBS-UHFFFAOYSA-N 419.529 -0.279 50 20 HBGD CCS(=O)(=O)N1CCC[C@@H](C(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)C1 744843224 KGUPABOOSNWKLT-OAHLLOKOSA-N 422.463 -0.076 50 20 HBGD Cc1ccc(C)c(OCC(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)c1 755036566 VWBKHAXQUBGWKU-CYBMUJFWSA-N 409.468 -0.070 50 20 HBGD COCCS(=O)(=O)c1ccc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 756554250 OMEPZNARUYXWGZ-LLVKDONJSA-N 419.481 -0.306 50 20 HBGD CCc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 763713331 YCNCZSMXEFBGDG-UHFFFAOYSA-N 416.438 -0.301 50 20 HBGD COc1cc(C)c(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1OC 764226638 JPTYCCQJRASELS-VIFPVBQESA-N 402.429 -0.964 50 20 HBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 764304158 VHCNDUOSHWMUKH-MOSHPQCFSA-N 411.440 -0.768 50 20 HBGD NS(=O)(=O)c1cc(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)ccn1 794071435 ILPZZAKRSKREEF-UHFFFAOYSA-N 407.408 -0.584 50 20 HBGD CCNC(=O)N(C)c1cccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 797664987 FGOLVGDLRMUENL-JTQLQIEISA-N 400.461 -0.057 50 20 HBGD CCOC(C)(OCC)C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 807369660 DKAQTGFYVZUFBK-UHFFFAOYSA-N 419.456 -0.149 50 20 HBGD Cn1nc(C(=O)NNC(=O)CNS(=O)(=O)c2cccnc2)c2ccccc2c1=O 809933225 WLLQQULUPFAIFF-UHFFFAOYSA-N 416.419 -0.932 50 20 HBGD Cc1nc(O)nc(O)c1CCC(=O)NNC(=O)c1csc(N2CCOCC2)n1 813536009 JDWSCDSWOWHLFB-UHFFFAOYSA-N 408.440 -0.117 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1783933907 LZYKHYQUTMAPCH-FQEVSTJZSA-N 422.530 -0.529 50 20 HBGD CC(C)(C)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1786832375 JGIOHTGBICASKA-SZMVWBNQSA-N 417.315 -0.652 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccncn3)[C@H]2C1 1787569852 MKUGUYLANWCNNT-DZKIICNBSA-N 404.471 -0.557 50 20 HBGD Cc1cccnc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795733022 YIYOHDRKDITCJX-HGKCTWBKSA-N 409.251 -0.413 50 20 HBGD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)n[nH]1 1798647382 OGFBWAAXAVNUFC-DRXBFXEBSA-N 413.438 -0.766 50 20 HBGD O=C(COCCO)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809969996 YDZVSPHTVFJFJY-UHFFFAOYSA-N 404.272 -0.780 50 20 HBGD NC(=O)CC[C@H](N)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](O)CCl)CC2 1814800243 HOIHSDMAOLMFFK-WEDXCCLWSA-N 403.892 -0.752 50 20 HBGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1831654151 ISJVUGAOVZRAJH-KRXQYRFLSA-N 403.907 -0.427 50 20 HBGD O=C(CC1CC1)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1835216157 CVLITHAHBUHWGA-HXUWFJFHSA-N 402.256 -0.764 50 20 HBGD O=C1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C(Cl)Cl)C3)C2)CCN1 1840232621 CGVDYGABUCQETB-MEDUHNTESA-N 408.282 -0.227 50 20 HBGD COC(=O)[C@H]1CC[C@@H](C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)C1 1843010513 WWCIHLNRXRZEQY-CVEARBPZSA-N 414.267 -0.227 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)[C@@H](C)CC(N)=O)C2 1843415358 NEQLDPSJQYHCQX-GLXUHCQUSA-N 402.455 -0.165 50 20 HBGD C[C@@H](C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1)N1C(=O)NC2(CCCC2)C1=O 110371686 XYKHIZJWOBTKEB-NSHDSACASA-N 412.410 -0.324 50 20 HBGD COc1ccc(NCC(=O)NNC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 743298533 YBEYDOHWEHUBID-DTDBQYNISA-N 416.434 -0.193 50 20 HBGD COc1ccc(NC(=S)NNC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cn1 743823607 SZAMRIOFGXOTMC-MHWZDGSBSA-N 405.436 -0.430 50 20 HBGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)c1 749905272 AVBIOHRTDHNLNQ-AWEZNQCLSA-N 424.460 -0.419 50 20 HBGD C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 755067384 ZKTOEVLADRKRPU-MNOVXSKESA-N 406.457 -0.182 50 20 HBGD COc1ccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1F 755924368 PQPMOWQUZANWHJ-UHFFFAOYSA-N 419.373 -0.566 50 20 HBGD CCc1c(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cnn1CCC(C)C 756155197 MQSPZZDQQXRIQN-LLVKDONJSA-N 416.504 -0.485 50 20 HBGD C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)C2=O 756871605 ULACWOAQFQHEGP-IJLUTSLNSA-N 414.484 -0.685 50 20 HBGD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 761895622 VBEYFLGBMWXRQB-SSDOTTSWSA-N 414.849 -0.196 50 20 HBGD NS(=O)(=O)c1ccc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)cn1 762743190 OGLIXIKKICQZOB-UHFFFAOYSA-N 412.453 -0.903 50 20 HBGD COC(=O)c1cc(OC)c(OC)c(OC)c1NC(=O)C(=O)NNC(=O)CN(C)C 764210648 FNHSHLXMYPVTAI-UHFFFAOYSA-N 412.399 -0.854 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 764233288 UHTNWFKXDXIRQN-VKHMYHEASA-N 418.300 -0.594 50 20 HBGD Cc1c(S(=O)(=O)NNC(=O)CNC(=O)c2ccco2)cnn1-c1ccccn1 765079595 PEWRFCBZNYCJPD-UHFFFAOYSA-N 404.408 -0.092 50 20 HBGD CCOC(=O)NCCC(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766653182 RRAMWFQWOXHMAP-UHFFFAOYSA-N 405.455 -0.272 50 20 HBGD CC(=O)Nc1cncc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N(C)C)nc2)c1 770244229 IOQRKFYFHGBOPS-UHFFFAOYSA-N 406.424 -0.240 50 20 HBGD COC(=O)COc1ccc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)cc1 782224976 FIWDEGKWRUMAKK-UHFFFAOYSA-N 421.435 -0.727 50 20 HBGD O=C(COC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)c1ccccc1 786368467 VUMXUSOHDXNKJG-OMNBBPDLSA-N 415.402 -0.457 50 20 HBGD CNS(=O)(=O)N1CCC(C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)CC1 794787988 KIHKORIYIZEKHK-NSHDSACASA-N 402.448 -0.083 50 20 HBGD CS(=O)(=O)c1cccc(C(=O)NNC(=S)NCCCN2CCOCC2)c1 915121686 CMXXYVKKBOYMCS-UHFFFAOYSA-N 400.526 -0.079 50 20 HBGD C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919885164 KPJQTZWDIOVLTE-BXKDBHETSA-N 402.860 -0.024 50 20 HBGD O=C(NCCNC(=O)c1cccnc1)NNC(=O)c1csc(N2CCOCC2)n1 1317870936 YDCFIOYMHOWVGB-UHFFFAOYSA-N 419.467 -0.251 50 20 HBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)N1CCOCC1)C2)[C@@H](F)Cl 1778031286 UQBYVCFENSVWMQ-GKLJAUDBSA-N 407.870 -0.315 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CC[C@@]2(CN(C(=O)CC[C@H](N)C(N)=O)CCO2)C1 1781227233 INYHVCPRECTVAX-KNXALSJPSA-N 409.314 -0.355 50 20 HBGD CN[C@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](Cl)COC)C1)C(=O)O 1782170350 IZWSBKHSYMXVHU-HNSFDTNUSA-N 419.906 -0.183 50 20 HBGD CS(=O)(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1786648935 UJUQHFIZCDFACU-GMOBBJLQSA-N 415.281 -0.299 50 20 HBGD Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)nc1 1786984464 JAPWIPSOCBYVDH-QRFRQXIXSA-N 423.278 -0.023 50 20 HBGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCS3(=O)=O)C[C@@H]21 1791257374 CCJDALSLCTZCRQ-RMEBNNNOSA-N 422.931 -0.203 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)N3CCOCC3)C[C@@H]21)C(Cl)Cl 1791298367 SDEMRNMEUPQIOP-JUFZMCDQSA-N 410.298 -0.580 50 20 HBGD CC(=O)Nc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)ccn1 1792978224 LDMYKGRWFVCQCT-HLPPOEQASA-N 410.858 -0.157 50 20 HBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSCC(=O)OC 1793365241 RDUTZBCRNUYHHS-NWJSVONSSA-N 408.904 -0.264 50 20 HBGD Cc1ccn(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)n1 1794147970 IVEKQLODMMMUSV-CCWDJLKJSA-N 406.487 -0.846 50 20 HBGD Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)nc1 1794863462 BKIFLSSAAZMEQO-CCWDJLKJSA-N 403.483 -0.034 50 20 HBGD O=C(COc1cccnn1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796192017 BIOKVEZSFCJLQH-BJWYYQGGSA-N 410.239 -0.513 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)COCCO)[C@H]1c1cccnc1 1808627329 DMSIOKIMAXBLTB-OXJNMPFZSA-N 421.498 -0.531 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731834 QMVYBTIHTDIOQV-CJNGLKHVSA-N 408.955 -0.106 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1840186758 DRVXYASPPLKZPF-FQEVSTJZSA-N 421.498 -0.490 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)[C@@H]1CCCS1(=O)=O)C2 1844265112 VMZVBNGZHXASQU-AWEZNQCLSA-N 421.479 -0.921 50 20 HBGD CCn1c(=O)[nH]c2cc(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)ccc2c1=O 108786911 ANSVOODQZJUIEI-UHFFFAOYSA-N 420.389 -0.240 50 20 HBGD CN(C)N(C(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)[C@H]1CCS(=O)(=O)C1 728180762 XNZUWVCIWRVMDK-IFXJQAMLSA-N 420.491 -0.128 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)Cn3ccc(O)nc3=O)cc2)CC1 728214145 ZAISBGGKDMMAGS-UHFFFAOYSA-N 422.467 -0.972 50 20 HBGD CCN1CCC[C@H]1CN1C[C@H](C(=O)NNC(=O)CNC(=O)c2ccco2)CC1=O 733144172 LVEXFQFUWKMMEM-KGLIPLIRSA-N 405.455 -0.510 50 20 HBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)c2cnn(C)c2)c(C(=O)OC)s1 735461468 ITOQXSMUWBRFQF-UHFFFAOYSA-N 402.410 -0.322 50 20 HBGD CCC(CC)NC(=O)C(=O)NNC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 740851547 KLYSABWLSZZZMF-UHFFFAOYSA-N 415.450 -0.490 50 20 HBGD O=C(NNC(=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1)[C@@H]1CCS(=O)(=O)C1 746102369 AWEJIGQHQDOZAV-CHWSQXEVSA-N 400.501 -0.067 50 20 HBGD CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2cnn(C)c2)cc1 746282730 SYOHQMFOKGYSRI-UHFFFAOYSA-N 409.424 -0.664 50 20 HBGD O=C(Cc1cn2ccccc2n1)NNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 746638136 ZXLOFLPYOYYQPG-OAHLLOKOSA-N 414.466 -0.795 50 20 HBGD C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNC(=O)Cc1c[nH]c2ccccc12 755049619 PDTJEEYBPDFDEB-NSHDSACASA-N 404.452 -0.042 50 20 HBGD CCCc1nnc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)s1 755471409 NJLDRGOKJQVBLC-UHFFFAOYSA-N 421.443 -0.909 50 20 HBGD Cn1cc(C=NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)nn1 755490910 SXTKAICHCKBWQW-UHFFFAOYSA-N 406.468 -0.081 50 20 HBGD COC(=O)CCOc1ccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1 756278746 MRUIEFHUTPFIIK-JTQLQIEISA-N 402.429 -0.281 50 20 HBGD COCCOc1cc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)nc2ccccc12 758032109 ZMJYQPYSRUKGIR-LLVKDONJSA-N 410.452 -0.041 50 20 HBGD Cc1noc(Cl)c1CCC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 766643878 LPVLJTIPHQLECE-UHFFFAOYSA-N 423.817 -0.836 50 20 HBGD COc1cccc(S(C)(=O)=O)c1NNC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 768646006 WPVOSOHMPJYZSB-RPVFDAQASA-N 423.447 -0.296 50 20 HBGD C[C@H](c1cccc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)c1)N1CCOCC1 784000569 VZNIVBPXPJESDL-CQSZACIVSA-N 417.466 -0.212 50 20 HBGD NC(=O)N1CCC[C@@H](C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)C1 805296776 FQLNFTRAGONYHI-RISCZKNCSA-N 406.395 -0.692 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@](N)(c1cccc(F)c1)C(F)(F)F 806787906 PJYHMQFNEGONEN-JMCQJSRRSA-N 400.354 -0.373 50 20 HBGD Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)NNC(=O)C(=O)N2CCCC2)c1C 810274359 BUVZAGLQEBSLSL-UHFFFAOYSA-N 410.496 -0.032 50 20 HBGD CN(C)S(=O)(=O)CCCS(=O)(=O)NNC(=O)c1cnn(-c2ccccc2)c1 811684398 HZTFESZIRKTJOR-UHFFFAOYSA-N 415.497 -0.282 50 20 HBGD Cn1cccc1C(=O)NNS(=O)(=O)CCOCCN1C(=O)c2ccccc2C1=O 821135258 NTYOHZRCMHDANX-UHFFFAOYSA-N 420.447 -0.098 50 20 HBGD COCCS(=O)(=O)c1ccc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 1325094947 ZTHWAPLKQPWEHM-GFCCVEGCSA-N 404.466 -0.698 50 20 HBGD CC(C)(C#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779028725 JSBMZUKRMSFBLH-LJQANCHMSA-N 400.439 -0.322 50 20 HBGD C[C@H](C(=O)N1CC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1)N1CCN(C)CC1 1781089874 KLBKSBMPMYTVKT-IIDMSEBBSA-N 402.923 -0.948 50 20 HBGD CS(=O)(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781335084 SKJGMDPLJBBOME-AAEUAGOBSA-N 415.281 -0.059 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ncnn1C)C2 1782209484 SQRAFWHPRZHQLP-AUUYWEPGSA-N 421.502 -0.684 50 20 HBGD CC(C)[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786982864 JIHPHEMCQNGMIH-LEUOFYLZSA-N 420.340 -0.086 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCCO3)[C@H]2C1 1787128555 RFXYKAGXYWCPLV-SJWGOKEGSA-N 417.466 -0.543 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccnn3)C[C@@H]21)[C@H](F)Br 1789922642 NHHVGWAMGZIMNN-ZPFDUUQYSA-N 404.240 -0.052 50 20 HBGD C[C@H](Cn1cncn1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCC(=O)NN(C)C)C2 1798579273 BSWHUWMJIFWUOY-LVQVYYBASA-N 405.503 -0.075 50 20 HBGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn3c(O)nnc13)C2 1800974810 BTYOULIFUQPDMI-ZMJPVWNMSA-N 423.857 -0.108 50 20 HBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)Cn2cnnn2)[nH]n1)c1ccc(B(O)O)cc1 1817471296 LIQZWSOHSYNQOR-HNNXBMFYSA-N 424.230 -0.918 50 20 HBGD C[C@H](NC=O)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827056262 CLWZVRFSERVJGP-HNAYVOBHSA-N 415.299 -0.266 50 20 HBGD Cc1nn(C)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1831867538 KPRIKIRPXPLFTR-YOEHRIQHSA-N 400.863 -0.602 50 20 HBGD O=C(Cn1ccnn1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1836211088 VXUXLABRGAWXBN-TZMCWYRMSA-N 420.239 -0.575 50 20 HBGD CC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1839860565 BAQFZPJCHKCDJX-XHDPSFHLSA-N 406.277 -0.638 50 20 HBGD N[C@@H](Cc1cccnc1)C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013790 NZNVEMQMCUGWSX-SFHVURJKSA-N 408.267 -0.852 50 20 HBGD CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NNC(=O)NCCCOC)c1 65206912 YSJSRFGOAWWMJL-UHFFFAOYSA-N 417.488 -0.754 50 20 HBGD CCc1c(C(=O)OCC(=O)NNC(=O)Cc2nc(C)cs2)cnc2ncnn12 728721561 BHRGQHOYUBBYTQ-UHFFFAOYSA-N 403.424 -0.001 50 20 HBGD NS(=O)(=O)NC[C@@H]1CCCN(CC(=O)NNC(=O)c2ccccc2Cl)C1 730570335 ILLUHFNMLDVENY-NSHDSACASA-N 403.892 -0.394 50 20 HBGD CCN(CC)Cc1ccc(C(=O)NNC(=O)CCn2cc(S(N)(=O)=O)cn2)o1 749738922 QBGZIUGHRPTDPR-UHFFFAOYSA-N 412.472 -0.183 50 20 HBGD COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)NNC(=O)CO)cc2)C1 755557916 KRDFBMMHIVVTCY-LLVKDONJSA-N 414.440 -0.595 50 20 HBGD CCOCCS(=O)(=O)NCC(=O)NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 763173703 QLXAMDITONYDCU-UHFFFAOYSA-N 413.431 -0.067 50 20 HBGD O=C(NNC(=O)[C@@H]1Cc2ccccc2O1)C(=O)Nc1cc(-n2cnnn2)ccc1F 764152529 DXYOSWZVLKLQOY-HNNXBMFYSA-N 411.353 -0.109 50 20 HBGD CCCCCCn1cc(S(=O)(=O)NNC(=O)[C@@H]2COCCO2)c(O)nc1=O 769632920 FPBRLBPLXPIXEL-NSHDSACASA-N 404.445 -0.746 50 20 HBGD CCNS(=O)(=O)CCNC(=O)NNc1nc(O)c2cnn(C(C)(C)C)c2n1 770395891 MZYFVIWZQYKEQI-UHFFFAOYSA-N 400.465 -0.148 50 20 HBGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)co1 772196974 UDEQRCHBCBPRKG-UHFFFAOYSA-N 414.827 -0.082 50 20 HBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)COc1ccc(S(N)(=O)=O)cc1 778518287 QLOGZBDVHJANJQ-UHFFFAOYSA-N 402.429 -0.615 50 20 HBGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)Cc2ccncc2)[C@@H](C)O)cc1 779530107 HMHUOGDGFUCZES-DYVFJYSZSA-N 406.464 -0.192 50 20 HBGD CNC(=O)c1cc(Oc2ccc(NC(=O)C(=O)NNC(=O)CO)cc2F)ccn1 810390015 QHCCZDMMXXSLDE-UHFFFAOYSA-N 405.342 -0.549 50 20 HBGD Cn1nc(C(=O)NNC(=O)CCCS(=O)(=O)N2CCCC2)c2ccccc2c1=O 917387987 URRNPGSNADBGHW-UHFFFAOYSA-N 421.479 -0.100 50 20 HBGD COCCn1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)ccc1=O 917388200 MMXNZCHDNOZLGX-UHFFFAOYSA-N 422.463 -0.180 50 20 HBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2)c1nc2ncccn2n1 1778584542 PHGUVIZANFNPQA-SNUQEOBHSA-N 422.873 -0.149 50 20 HBGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1778785954 POMPPTAKPGJMSC-PBHICJAKSA-N 417.535 -0.268 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(CN(C(=O)CCc3cncnc3)CCO2)C1 1783933777 GRPVSCFQWVYECO-FQEVSTJZSA-N 418.498 -0.388 50 20 HBGD CCC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CC(=O)NC3=O)[C@H]2C1 1785027526 LBOKWZYHJSQTFS-FQUUOJAGSA-N 414.890 -0.075 50 20 HBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccncc3)C[C@@H]21 1788610741 SCEKOXZIGJATFG-WBAXXEDZSA-N 424.461 -0.013 50 20 HBGD CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1793381553 XOZNYHIYAVPIDF-FSDCSDTHSA-N 406.313 -0.476 50 20 HBGD CC[C@H](NC(C)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796185764 MKTAGJMHBUXKLG-MHORFTMASA-N 401.272 -0.467 50 20 HBGD O=C(c1cnn2ccncc12)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830728077 OOZXTXCTHYOFRB-YJBOKZPZSA-N 423.857 -0.601 50 20 HBGD CCS(=O)(=O)CC(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1833451378 TVFARXAVEIGBLK-HNNXBMFYSA-N 423.963 -0.408 50 20 HBGD C[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2 1835312417 WOVNCTMTTNCWQR-OZVIIMIRSA-N 418.288 -0.495 50 20 HBGD C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837391331 KUJAGNIFWIUZEN-GLJUWKHASA-N 404.891 -0.384 50 20 HBGD Cn1ccc(=O)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1838529240 SGMYLBWZUTWMBM-YJBOKZPZSA-N 413.858 -0.945 50 20 HBGD O=C(Cn1nccn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839201986 PNNALMDFZMUYFM-GXTWGEPZSA-N 420.239 -0.575 50 20 HBGD COC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1840319860 NJGBIHUCPODQKS-HNNXBMFYSA-N 422.276 -0.416 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)CS(C)(=O)=O)C1 1842778799 OPEVSRKESWOCFO-XDHOZWIPSA-N 409.468 -0.632 50 20 HBGD C[C@H](C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1)N1C[C@@H]2C[C@H]2C1 1844264308 FNBBMDKIBMFUKV-ILXRZTDVSA-N 412.494 -0.158 50 20 HBGD COc1ccnc(N2CCN(C(=O)NNC(=O)CNC(=O)c3ccco3)CC2)n1 729229200 VDWLXVBIWFHCFL-UHFFFAOYSA-N 403.399 -0.629 50 20 HBGD C[C@H](C(=O)NNC(=O)[C@@H]1COc2ccccc2O1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 742241869 NCLVEEXJEKNPHM-YYMOATHLSA-N 415.402 -0.475 50 20 HBGD CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)NNC(=O)COc2ccccc2O)C1=O 752022317 CIBDDKHCMJBUOZ-ZMZPIMSZSA-N 405.411 -0.178 50 20 HBGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccn(CCN(C)C)n1 763663505 JWEGRYDLLIHOLI-UHFFFAOYSA-N 404.427 -0.382 50 20 HBGD O=C(CCNS(=O)(=O)c1ccccc1)NNC(=O)CNC(=O)c1cccnc1 763818969 SGRWOHFUMDUYBJ-UHFFFAOYSA-N 405.436 -0.673 50 20 HBGD COC(=O)CCCOc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)cc1 764423476 ALRXLVVWNIRCMW-AWEZNQCLSA-N 409.395 -0.480 50 20 HBGD CN(CC(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 765417960 LNDPWJBYCRPGNG-GFCCVEGCSA-N 406.505 -0.442 50 20 HBGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)CC[C@H]3NC(=O)NC3=O)CC2)cc1 765756282 SSDAUEBKDDNDJD-MRXNPFEDSA-N 416.482 -0.752 50 20 HBGD CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NNC(=O)CN2CCCS2(=O)=O)C1 773410343 ARGDIIMAVYLSCO-GFCCVEGCSA-N 404.489 -0.184 50 20 HBGD CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)c1ccc2c(c1)OCO2 786415084 WCEQRRLUGWVASW-UHFFFAOYSA-N 403.351 -0.275 50 20 HBGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c(C)cc1C 788331056 OZXOELCAQIEFDY-NSHDSACASA-N 411.436 -0.389 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1 798108523 AROXVTQOYTVISW-GXTWGEPZSA-N 412.468 -0.127 50 20 HBGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1cc(F)c(N2CCOCC2)cc1F 806980609 RRNWJCGCTOSGNI-AWEZNQCLSA-N 414.365 -0.697 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C[C@@H]2C=CS(=O)(=O)C2)cc1 1319035795 RMKSOXCXYNLHEV-ZDUSSCGKSA-N 415.493 -0.289 50 20 HBGD CC(=O)NNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c1ccccc1 1347769968 SJKVQGKQVDQXSR-MSKHEQNASA-N 403.482 -0.453 50 20 HBGD C[Si](C)(C)OCC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1CC(=O)NC1=O)CCO2 1779294802 ZUHRWVMLGQPEDY-QGZVFWFLSA-N 412.519 -0.780 50 20 HBGD COC(=O)[C@@H]1CC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)C1 1792964779 MTOXGEHKKZRLKY-PLJUSGQGSA-N 402.875 -0.235 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CC(=O)NC1=O 1793834770 LZNOCTHHHDWKBU-HMVGFALLSA-N 421.281 -0.636 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CC(=O)NC1=O 1793834772 LZNOCTHHHDWKBU-SKILGCBUSA-N 421.281 -0.636 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1F)C2)c1ccc(B(O)O)cc1 1795734559 LPFQNKREKGBBRG-ZSBFGKGUSA-N 413.214 -0.583 50 20 HBGD CCN(C)[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797753727 DPSAHGRUPZMXSF-ZJOBFFGXSA-N 418.498 -0.772 50 20 HBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C(=O)O)ncn1)C2 1800974196 PZLBGOPBHSVCSZ-MIJXAVMKSA-N 412.830 -0.368 50 20 HBGD NC(=O)CC[C@H](N)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](O)CCl)n[nH]1 1814870272 MZPDYSVPOXYUQO-DLOVCJGASA-N 400.867 -0.406 50 20 HBGD CC(=O)C(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819795866 VANSSEHTZLBIRG-VIFPVBQESA-N 402.436 -0.044 50 20 HBGD O=C(c1ncc(Cl)cn1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830724433 HHJZKRZGNOXGCZ-BLLLJJGKSA-N 419.265 -0.200 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccnc3)CCO2)C1 1834389828 SCGYNKSVMABQLR-WMLDXEAASA-N 400.863 -0.407 50 20 HBGD C[C@@H]1C[C@@]1(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839086714 FMLPDZRQTDODCE-IPHXSNPTSA-N 416.283 -0.518 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCS(C)(=O)=O)C2)C1 1839148991 PMZVVHIEOCDDGU-XJKSGUPXSA-N 410.920 -0.105 50 20 HBGD CN(C)C(=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839199909 ZGYDBZQIPSLUQV-YGRLFVJLSA-N 410.240 -0.779 50 20 HBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1839237869 IGZRETJDSLPFKI-SWLSCSKDSA-N 416.276 -0.482 50 20 HBGD Cc1nnc(NNC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)[nH]c1=O 11548228 SVOYWYWZQWLMCK-UHFFFAOYSA-N 417.451 -0.222 50 20 HBGD O=C(Cn1cnc2c(oc3ccccc32)c1=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 16145936 JJCMFDLWRJIFMA-SNVBAGLBSA-N 404.404 -0.275 50 20 HBGD COc1cc(C=NNC(=O)[C@@H](C)NS(C)(=O)=O)cc(Cl)c1OCC(N)=O 728434248 KVURNANGJPMYMA-MRVPVSSYSA-N 406.848 -0.400 50 20 HBGD CN1C(=O)C(=O)N(CC(=O)NNC(=O)c2cc(F)ccc2Br)C1=O 733147991 SCIBOEMFNPYHQX-UHFFFAOYSA-N 401.148 -0.230 50 20 HBGD COCCCNC(=O)[C@H](C)N1CCN(CC(=O)NNC(=O)c2cccc(C)c2)CC1 744398949 UQLQQUJRJDIBOV-KRWDZBQOSA-N 419.526 -0.085 50 20 HBGD CN(CC(=O)NNC(=O)CNC(=O)c1ccco1)C1=NS(=O)(=O)c2ccccc21 751204066 BVMDIHOEBHSJTI-UHFFFAOYSA-N 419.419 -0.762 50 20 HBGD Cc1ccc(C#N)cc1NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 756261953 IFELQORCFHXKMQ-UHFFFAOYSA-N 410.394 -0.533 50 20 HBGD C[C@H]1C[C@@H](C)C[C@]2(C1)NC(=O)N(CC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)C2=O 756871628 ULACWOAQFQHEGP-JJHQXXDFSA-N 414.484 -0.685 50 20 HBGD CCNC(=O)N(C)NC(=O)CN(CC(=O)NN(C)C(=O)NCC)Cc1ccccc1 758442860 RXNYXOBTIYKMRA-UHFFFAOYSA-N 421.502 -0.126 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(OC(F)F)c(F)c1 764230384 HOVGRAREWGTTRK-LURJTMIESA-N 412.346 -0.549 50 20 HBGD N#Cc1ncn(CC(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)n1 769302126 MEIIRQHEXXFOND-UHFFFAOYSA-N 416.873 -0.232 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 770424625 RTYQUNUHQNOBIE-GXTWGEPZSA-N 412.468 -0.270 50 20 HBGD CN1CCN(C(=O)NNC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 773659431 RHTLPUFVWVHTRI-UHFFFAOYSA-N 412.468 -0.390 50 20 HBGD COc1cc(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)sc1S(N)(=O)=O 778437876 MVQBAVKALXKCSD-UHFFFAOYSA-N 408.458 -0.310 50 20 HBGD COc1ccc(C(=O)NNC(=O)CN(C)CC(=O)N2CCN(C)CC2)cc1OC 779331928 JUSXOUVMWXEKNW-UHFFFAOYSA-N 407.471 -0.829 50 20 HBGD Cc1c[nH]cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1=O 781418005 RDOBYDQQMLBFQR-UHFFFAOYSA-N 420.447 -0.221 50 20 HBGD C[C@H]1CCCC[C@@H]1NC(=S)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 913498172 PZBDWKCBWUVPTF-QWRGUYRKSA-N 407.500 -0.492 50 20 HBGD Cn1nc(C(=O)NNC(=O)c2cnc3nc(O)nc(O)c3c2)c2ccccc2c1=O 917386987 DOFMPKFRZVMXRW-UHFFFAOYSA-N 407.346 -0.242 50 20 HBGD NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NNC(=O)c2ccccn2)c1 920122007 XUHGHINAUOERJD-UHFFFAOYSA-N 405.436 -0.360 50 20 HBGD Cn1c(C=NNC(=O)Cn2nnc(-c3ccccc3)n2)nc2c1c(O)nc(=O)n2C 920362382 ZORPUFHLFISXHR-UHFFFAOYSA-N 408.382 -0.824 50 20 HBGD CCS(=O)(=O)C1CCN(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CC1 1339158398 XOMOXXIOANRIEK-UHFFFAOYSA-N 407.456 -0.084 50 20 HBGD CN(C)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779031239 OWNRMQSYGATRGR-LJQANCHMSA-N 404.471 -0.920 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(N)=O)C2)C1 1783151389 KTPCYCIVZHUHEI-MEGCXXLRSA-N 418.454 -0.784 50 20 HBGD C[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1)n1cccn1 1783938480 ZJZFJZVFHNWWMO-HNAYVOBHSA-N 406.487 -0.353 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C[C@@H]21 1791288072 UOIDHWGLDBSJNK-QAETUUGQSA-N 409.531 -0.567 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)cco3)C[C@@H]21 1791288612 LTCCQSQOLVLBBS-QRTARXTBSA-N 420.466 -0.394 50 20 HBGD O=C(CC[C@H]1CCOC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1801577006 DDYWTQSIRGQRAH-REGYPHIPSA-N 416.283 -0.614 50 20 HBGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCNC3=N)C2)C1 1831645411 CYTHPKLCONFOJN-RDTXWAMCSA-N 415.922 -0.310 50 20 HBGD Cc1nn(C)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1831867532 KPRIKIRPXPLFTR-RHSMWYFYSA-N 400.863 -0.602 50 20 HBGD O=C(CCN1C(=O)C=CC1=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1832020360 JPIZESJSPMXPNV-RDJZCZTQSA-N 417.821 -0.708 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)n(C)n3)CCO2)C1 1833411003 WTHIKLSMDWMFAP-SJKOYZFVSA-N 416.862 -0.551 50 20 HBGD Cc1nn[nH]c1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1836302922 UGIVNGJLDSHLMF-BXUZGUMPSA-N 420.239 -0.126 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(=S)NC)CCO2)C1 1837467195 ZHTKHUZLKZRHLT-DYVFJYSZSA-N 420.963 -0.056 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncnn3C)C2)C1 1840031260 JYWWRKMTTMXEJS-XHDPSFHLSA-N 416.276 -0.332 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3nnc(C)o3)C2)C1 1840151797 NSCFDTHZBXDQQM-GUYCJALGSA-N 416.862 -0.369 50 20 HBGD CNc1nsnc1C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844263312 PJDIOISWCIDFJA-UHFFFAOYSA-N 416.467 -0.291 50 20 HBGD CN1C(=O)CC[C@H]1C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844264921 YISJPAUKISXCJP-AWEZNQCLSA-N 400.439 -0.877 50 20 HBGD Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 729275534 PIQXXMLAFHREHD-SNVBAGLBSA-N 418.497 -0.866 50 20 HBGD Cn1c(=O)c2c(ncn2CCC(=O)NNC(=O)c2cccc3ncccc23)n(C)c1=O 730226547 MCTFISYDSDCUEU-UHFFFAOYSA-N 421.417 -0.167 50 20 HBGD CCCNS(=O)(=O)c1ccc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 756775606 JNRPQYCEBJIAOD-LLVKDONJSA-N 418.497 -0.038 50 20 HBGD CC[C@@]1(C)NC(=O)N(CC(=O)OCC(=O)NNC(=O)Cc2ccccc2C)C1=O 767238862 INJSLBNXUUGFJT-LJQANCHMSA-N 404.423 -0.051 50 20 HBGD CN1CCN(C(=O)NNC(=O)[C@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)CC1 773655977 AENWESHCMHNGDV-HUUCEWRRSA-N 409.487 -0.043 50 20 HBGD O=C(/C=C\C(=O)Nc1ccc2n[nH]cc2c1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 778645584 JLOOFAWEFGPEFG-MVZIDQBPSA-N 406.424 -0.425 50 20 HBGD COC(=O)c1cc(F)c(F)cc1NC(=O)C(=O)NN[C@]1(C)CCS(=O)(=O)C1 783425118 BBJASPOKGSYDDM-OAHLLOKOSA-N 405.379 -0.112 50 20 HBGD COC(=O)Cc1ccccc1NC(=O)C(=O)NNC(=O)CNC(=O)c1ccco1 784002015 IQLGYNPXZMLKQI-UHFFFAOYSA-N 402.363 -0.489 50 20 HBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(C(=O)N[C@@H](C)C(=O)OCC)cc1 784915573 DSHSELUDDUHNBT-NSHDSACASA-N 407.427 -0.001 50 20 HBGD NC(=O)[C@@H]1CCC[C@@H](C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)C1 787834446 LTRNCESPZJFSSP-LALPHHSUSA-N 405.407 -0.191 50 20 HBGD COC(=O)N1CCN(c2ccc(NC(=O)C(=O)NNC(=O)[C@H]3CCCO3)cn2)CC1 815778454 RTUXZHIAZZASRS-CYBMUJFWSA-N 420.426 -0.765 50 20 HBGD C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 917925393 KYBLYQWFGGIHBS-SNVBAGLBSA-N 421.464 -0.148 50 20 HBGD Cc1n[nH]cc1C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1780283235 FLHGIMVWXMIGFW-LJQANCHMSA-N 413.438 -0.526 50 20 HBGD C[C@@](O)(CC(=O)O)CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2 1782202033 JLGPNBDUZOTYPN-RUZGCFLTSA-N 420.890 -0.284 50 20 HBGD CN1CCN(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)CCl)C[C@@H]32)CC1 1786725413 PGBMEOCZYUDHLC-NXOAAHMSSA-N 416.950 -0.797 50 20 HBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Cl)[C@H]2C1 1787446573 REDGULBOUWXMDU-YYFQZIEXSA-N 422.837 -0.005 50 20 HBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl)C(=O)c1ccccc1 1792975029 IDDLPZLFPOMWJL-DFGXFYAUSA-N 423.897 -0.052 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nc(CO)[nH]c3c1)C2)[C@@H](O)CCl 1792978460 VWGIJJFJNAQFFH-RBNVPPIJSA-N 422.869 -0.142 50 20 HBGD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)n(C)n1 1794748464 LIUKHGBXQDTHLL-ZSBFGKGUSA-N 406.487 -0.695 50 20 HBGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@H](N)C(N)=O 1795631659 MSPRBAIKSRJZRA-HNRZYHPDSA-N 419.320 -0.800 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnc(F)c1)C2)c1cccc(B(O)O)c1 1795737694 KILKYUNUISCCHA-JLVBRIDZSA-N 413.214 -0.583 50 20 HBGD CCNC(=S)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)Br)C2 1800186910 VHAUQMALELNCMR-HNCHTBHHSA-N 421.361 -0.157 50 20 HBGD O=C1CN(CC(=O)N2CCC3(CCCN(C(=O)[C@H](O)CCl)C3)CC2)C(=O)N1 1805518094 OIKBKTPQVVEHLV-GFCCVEGCSA-N 400.863 -0.631 50 20 HBGD NC(=O)CC[C@H](N)C(=O)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@H]1c1cccnc1 1807041228 ARTHDACOMSLQTC-AYDFFVQHSA-N 411.890 -0.720 50 20 HBGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1ncon1 1811178838 KIGRHYAVOBNEGC-RDJZCZTQSA-N 421.222 -0.222 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)Cn2cnnn2)n[nH]1 1817616916 HJWKBIJNFJSUSO-ZDUSSCGKSA-N 418.462 -0.539 50 20 HBGD O=C(Cn1ccncc1=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](O)CCl)CC2 1824529283 NSEAJVQQOUEMME-ONGXEEELSA-N 411.871 -0.088 50 20 HBGD Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc(O)n1 1830727750 CVLATZPMWQYYAO-KBXCAEBGSA-N 413.858 -0.235 50 20 HBGD CC(=O)O[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1)C(C)C 1837213889 RKDOOFMSCRGVDK-MPGHIAIKSA-N 420.890 -0.370 50 20 HBGD CN(C)C(=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837711338 DXPIZHJWFGQHQI-QGZVFWFLSA-N 401.536 -0.618 50 20 HBGD CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)nn1C 1838271327 ABTCSWGYANOUMR-CRAIPNDOSA-N 414.890 -0.348 50 20 HBGD Cc1nccn1CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839711625 AUTFPSQDYDFRHD-WMLDXEAASA-N 400.863 -0.752 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ncccn3)C2)C1 1840150838 RPVMOAABFHSVNT-RDTXWAMCSA-N 412.874 -0.271 50 20 HBGD CC[C@H](Br)C(=O)N1CC2(CCCN2C(=O)C[C@@H]2NC(=O)NC2=O)C1 1841962976 QPUIKPFOFIBAAA-UWVGGRQHSA-N 401.261 -0.039 50 20 HBGD C[C@@H](C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2)n1ccccc1=O 1844364489 IFWGNQWUWZWOAG-HNNXBMFYSA-N 409.251 -0.394 50 20 HBGD C[C@H](CBr)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(=O)n2[nH]nnc2n1 1847498114 BRLITMHSBDOKGS-MIMYLULJSA-N 424.259 -0.341 50 20 HBGD COc1ccccc1CC(=O)NNC(=O)CCNS(=O)(=O)c1cn(C)c(C)n1 725888941 FPINWOXCFSAGCL-UHFFFAOYSA-N 409.468 -0.204 50 20 HBGD CC(C)CS(=O)(=O)CC(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 728329896 XNJQDWISBQFVEU-AWEZNQCLSA-N 414.436 -0.412 50 20 HBGD CC(=O)N1CCN(C(=O)CCNC(=O)NNC(=O)COc2ccccc2C#N)CC1 737064061 BSONYGGLORLFPO-UHFFFAOYSA-N 416.438 -0.652 50 20 HBGD Cc1cc(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)n[nH]1 739019634 DOZYJZMXVAZYQT-UHFFFAOYSA-N 422.467 -0.117 50 20 HBGD COC(=O)c1cn(CC(=O)NNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)nn1 747345495 NJUDMJQZQYUZJN-UHFFFAOYSA-N 413.394 -0.183 50 20 HBGD CC(C)(C)OC(=O)N1CC(OCC(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 748528441 GUSSQPQDIUJOIP-SNVBAGLBSA-N 406.461 -0.860 50 20 HBGD COc1ccc(CNC(C)=O)cc1S(=O)(=O)NNC(=O)CNC(=O)c1ccco1 751282408 KWLYQHZZABMZLO-UHFFFAOYSA-N 424.435 -0.336 50 20 HBGD Cc1ccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c(OCC(=O)N(C)C)c1 756201760 AWNVPYXDBVUQTJ-NSHDSACASA-N 415.472 -0.448 50 20 HBGD COc1ccc(C(=O)NNC(=O)COC(=O)CNC(=O)c2cccnc2)cc1OC 767614519 WOBSUFVKTKPHSF-UHFFFAOYSA-N 416.390 -0.167 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cc(F)ccc1Br 771905103 YYKONQDFJGBNSL-LURJTMIESA-N 418.266 -0.165 50 20 HBGD CC(C)[C@@H](C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1)N1CCCS1(=O)=O 772645938 BTOOESOCFKEIEZ-AWEZNQCLSA-N 417.509 -0.089 50 20 HBGD COCc1nc(Cl)cc(NNC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)n1 788141632 DKAHYQSBODREBX-UHFFFAOYSA-N 408.806 -0.833 50 20 HBGD CN1CCN(C(=O)NNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 807383174 NKBABCSMOSQVPR-HNNXBMFYSA-N 413.438 -0.249 50 20 HBGD O=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)NNC(=O)c1ccccn1 912770578 XQIHZPKRKRAMCZ-UHFFFAOYSA-N 406.420 -0.018 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1782963297 ZVRKUCWSOBZIRM-XEZPLFJOSA-N 408.904 -0.353 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCOC3)C2)C1 1784719776 KMVRBSXBILLFDM-CXRYXZAOSA-N 417.466 -0.013 50 20 HBGD O=C(CNC(=O)c1cccnc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1785169074 IOASOZGTGYGXDQ-JONQDZQNSA-N 424.885 -0.609 50 20 HBGD C[C@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cnnn3)[C@H]2C1 1787089562 CIOQVBDXENSAOD-VOAKCMCISA-N 415.292 -0.316 50 20 HBGD CC(C)O[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1788697583 SVRDRYDJQZSWPI-CBVHJVASSA-N 418.299 -0.227 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCC(=O)N3C)[C@H]2C1 1789944024 KWZHPQAMVXKCQI-RMEBNNNOSA-N 401.891 -0.159 50 20 HBGD CCn1nccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1794888975 LGALMSCJPWISLF-ZSBFGKGUSA-N 406.487 -0.521 50 20 HBGD C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795734284 LGSFZAVZCYAMRW-MVJTYMMSSA-N 416.283 -0.857 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1[nH]cc3c1CCC3)C2)c1cccc(B(O)O)c1 1795740184 AYZQTCQAKRYPIL-HGKCTWBKSA-N 423.278 -0.300 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])o1)C2 1801009084 OZBJIGQGPWTYCI-DPIQGUFMSA-N 423.426 -0.236 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)C2=NNC(=O)C2)n[nH]1 1819344480 XSOHVDZSCRJTLE-ZDUSSCGKSA-N 418.458 -0.349 50 20 HBGD CN1CC(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2ccc(B(O)O)cc2)CC3)C1 1827266573 HRUKSWSHVBPOFI-CQSZACIVSA-N 414.296 -0.390 50 20 HBGD N[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1)c1ccccn1 1830722489 CHHIQUHXHTZFHP-VKJFTORMSA-N 412.874 -0.863 50 20 HBGD O=C(c1cncc(F)c1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1834352654 HLSVGGIRKMNZCI-RHSMWYFYSA-N 401.822 -0.110 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c(C)noc3N)CCO2)C1 1835628624 DCAGAYHNQRXASH-SJCJKPOMSA-N 416.862 -0.111 50 20 HBGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1835632070 CFSLPRBINUNLBD-KSSFIOAISA-N 415.922 -0.310 50 20 HBGD O=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)=NN1 1837363916 QPRMJYQUGXKHQB-FZMZJTMJSA-N 421.223 -0.991 50 20 HBGD NC(=O)c1nccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1838327684 DKKVRTXEPKRTNI-MLGOLLRUSA-N 415.809 -0.820 50 20 HBGD C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839840223 AUFOHCSDJYUEPE-KKSFZXQISA-N 416.283 -0.351 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnnc3O)C2)C1 1840154515 XZYGCYNLBIPYSQ-GUYCJALGSA-N 414.846 -0.494 50 20 HBGD O=C1CCCN1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840187929 GBOOHQAWGBCZNQ-INIZCTEOSA-N 408.282 -0.131 50 20 HBGD Cc1ncsc1C(=O)NNC(=O)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12 731810230 FJDMCZRBZQYWFI-UHFFFAOYSA-N 405.421 -0.062 50 20 HBGD CCC(=O)NNC(=O)[C@@H](C)N1CCCN(S(=O)(=O)c2c(C)noc2C)CC1 732196764 FRGGUOADHNTSTA-GFCCVEGCSA-N 401.489 -0.066 50 20 HBGD O=C(COC(=O)c1ccnc(-n2cncn2)c1)NNC(=O)[C@@H]1COc2ccccc2O1 738626866 IYCGOMOGQUWYRI-HNNXBMFYSA-N 424.373 -0.194 50 20 HBGD Cn1ccnc(NNC(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)c1=O 747942203 ZLNNEMTZCVJVSO-CYBMUJFWSA-N 407.452 -0.006 50 20 HBGD CC(C)NC(=O)C(=O)NNS(=O)(=O)c1ccc(NS(=O)(=O)C(C)C)c(F)c1 749754453 BWJZAWUHGQTNKO-UHFFFAOYSA-N 424.476 -0.190 50 20 HBGD COc1cc(CN2CC[C@@H](NC(=O)NNC(=O)C(=O)NC3CC3)C2)cc(OC)c1 756105123 YIXGDNDNGOIAFT-CQSZACIVSA-N 405.455 -0.113 50 20 HBGD C[C@@H](C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1)S(=O)(=O)C1CCOCC1 767496663 URXWXFLEZCQXHW-LBPRGKRZSA-N 423.447 -0.155 50 20 HBGD C[C@]1(NNC(=O)C(=O)Nc2ccc(CCN3CCOCC3)cc2)CCS(=O)(=O)C1 783426183 GIDDSEWZIRPWOX-IBGZPJMESA-N 424.523 -0.302 50 20 HBGD Cc1c(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cccc1-c1ncco1 815569151 JFPOGNVWKDJLGB-JTQLQIEISA-N 409.424 -0.326 50 20 HBGD O=C(NNC(=O)c1cccc(CN2C(=O)CNC2=O)c1)c1ccc(-n2cnnn2)cc1 822747355 WBGWZEQQQSHNAL-UHFFFAOYSA-N 420.389 -0.211 50 20 HBGD C[C@H](NC(=O)c1ccccn1)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1782667261 TXNHEGTUMZPKFC-ZUEVXXBESA-N 424.885 -0.371 50 20 HBGD O=C(Cn1cnnn1)Nc1ccc(C2(NC(=O)c3ccc(B(O)O)cc3)CCC2)cc1 1788262734 HJOQICDZCPLCRN-UHFFFAOYSA-N 420.238 -0.199 50 20 HBGD CN1CCC[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)C1 1789745201 PSDMHWMKTSJBHO-XSLAGTTESA-N 423.558 -0.319 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(O)[nH]3)C[C@@H]21 1791291561 YZMMWGZFNBWAHW-OBJOEFQTSA-N 408.459 -0.918 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCn3ccnn3)[C@H]2C1 1791652338 VLLSFNMUOBPFJL-JYJNAYRXSA-N 421.502 -0.979 50 20 HBGD COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)n(C)n1 1794348659 WSBXOMGJUTXHLB-IVWMJMPLSA-N 422.486 -0.995 50 20 HBGD C[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2)N1C[C@H]2C[C@H]2C1 1798317861 JNWXWRKBMXINBH-PHSKQRLGSA-N 411.311 -0.042 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)N1CCOCC1)[C@H](F)Br 1798486917 KJHVLFBTMJGGDH-ZUDIRPEPSA-N 408.268 -0.034 50 20 HBGD O=C(O)C#CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817478905 CWESONGNRWVDKX-HNNXBMFYSA-N 410.195 -0.517 50 20 HBGD O=C(Cn1nccn1)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1820985589 HZQXSUATQUYSRQ-MRXNPFEDSA-N 423.242 -0.313 50 20 HBGD C[C@H](NC=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839201716 HIXDRYDXNRLYNM-MJVIPROJSA-N 410.240 -0.732 50 20 HBGD CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1839879101 OZZVWVBXTZOJRR-KBXCAEBGSA-N 415.563 -0.181 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnn(C)c3)C2)C1 1840156207 KIVGEVTXYIINGW-YJBOKZPZSA-N 414.890 -0.327 50 20 HBGD Cn1ccc(=O)cc1C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1844694908 QNVQTOIYEDTFON-UHFFFAOYSA-N 410.434 -0.485 50 20 HBGD CN(C)N(C(=O)CN1C(=O)c2ccccc2S1(=O)=O)[C@@H]1CCS(=O)(=O)C1 728178110 TVCQETCACLBDBG-LLVKDONJSA-N 401.466 -0.677 50 20 HBGD N#Cc1ccc(C(=O)NNC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)cc1 732244226 YZZRDXMDRVXXQZ-OAHLLOKOSA-N 409.468 -0.009 50 20 HBGD Cc1c(C(=O)NNC(=O)COc2ccc(F)cc2)cnc2c1c(=O)n(C)c(=O)n2C 747726326 CZDASINSARXDPM-UHFFFAOYSA-N 415.381 -0.080 50 20 HBGD C[C@@]1(NNC(=O)NCCCN2CCN(c3ccncc3)CC2)CCS(=O)(=O)C1 748463524 UVKSTQSOFUHSQA-GOSISDBHSA-N 410.544 -0.025 50 20 HBGD Cc1oc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1S(N)(=O)=O 755642484 YACMSHJXTQZBPW-UHFFFAOYSA-N 415.453 -0.397 50 20 HBGD Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 757877452 VDYJYUTZWDTHNM-GFCCVEGCSA-N 420.451 -0.133 50 20 HBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 764210421 DWYHVEUFBSWXOY-INIZCTEOSA-N 418.498 -0.500 50 20 HBGD CCCN1Cc2cccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c2C1 764228237 WGNAKYUDPRNZIM-NSHDSACASA-N 411.484 -0.564 50 20 HBGD CCc1nc2ccccc2n1CC(=O)NNC(=O)CN(C)[C@H]1CCS(=O)(=O)C1 765187275 YEIAWUOIBGCORJ-ZDUSSCGKSA-N 407.496 -0.135 50 20 HBGD Cc1nc(S(=O)(=O)NCCC(=O)NNC(=O)CNC(=O)OC(C)(C)C)cn1C 778444886 BLRJKYLCRLARTL-UHFFFAOYSA-N 418.476 -0.931 50 20 HBGD COc1cccc(NNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)n1 780771343 MCGJMEYRETWDKY-UHFFFAOYSA-N 405.436 -0.032 50 20 HBGD CN1CCCN(c2ccc(NC(=O)C(=O)NN[C@@]3(C)CCS(=O)(=O)C3)cc2)CC1 783427576 OTJSYKQJFGRLIO-IBGZPJMESA-N 423.539 -0.035 50 20 HBGD Cc1cnc(COCC(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)o1 806872940 PIRHTADBWCDAKS-UHFFFAOYSA-N 424.483 -0.026 50 20 HBGD CON(C)S(=O)(=O)c1ccc(NC(=O)NNC(=O)[C@H]2CCc3nncn3C2)cc1 814523795 LASFSKVVXLTRJB-NSHDSACASA-N 423.455 -0.125 50 20 HBGD CC[C@H](C)NC(=O)CN1CCN(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 913054338 IXRPWULRINKHRA-AWEZNQCLSA-N 420.470 -0.112 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCC4)C2)C1 1778671324 APBDDSBYJHWRAW-FQEVSTJZSA-N 418.498 -0.354 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)CN3CCCC3)CCO2)C1 1779028300 CGXDVGRBPJBZLC-HXUWFJFHSA-N 416.482 -0.776 50 20 HBGD CC(=O)C[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779034026 ITXFHKNIJXCQOO-ZUOKHONESA-N 417.466 -0.256 50 20 HBGD CO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CCO2)C1 1783987244 LQZULCUTAHSKFR-LMHOGXDRSA-N 405.455 -0.015 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cc(F)c[nH]1 1791114406 NXSOBZVXWUNFFL-OWQGQXMQSA-N 415.230 -0.259 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(F)cn1 1795797878 PWUIGQFUJZZQHZ-VTEUUUEMSA-N 421.473 -0.274 50 20 HBGD C=CC(=O)N[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798439750 BQAZJYGSGMKNSR-YIYPIFLZSA-N 414.466 -0.372 50 20 HBGD O=C1CN(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H](F)Br)C(=O)N1 1800157798 YFXDOPRYPUCXRX-JXVAYASWSA-N 405.224 -0.133 50 20 HBGD O=C1C[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCBr)C3)CCN1 1801064480 HJIJPWVZDPJMOU-MCYUEQNJSA-N 402.289 -0.113 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2nc[nH]n2)[C@@H]1c1cccnc1 1807876859 ZDDPFSXMDSQDEF-YOEHRIQHSA-N 414.470 -0.108 50 20 HBGD C[C@@H](NC=O)C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809980671 ORGFSSVEKUHEJH-OAHLLOKOSA-N 401.272 -0.654 50 20 HBGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cn2cnnn2)[nH]n1 1822414249 OGJDWNKGXIGPGA-ZDUSSCGKSA-N 418.462 -0.539 50 20 HBGD CN(CC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](O)CCl)CC1)C(=O)C(=O)O 1824187343 CVKCXVZFCALNAO-ZIAGYGMSSA-N 417.890 -0.251 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)CCC(N)=O)sc2C1 1825187514 NHPCPYIRWRCKFE-SNVBAGLBSA-N 410.500 -0.306 50 20 HBGD O=C(c1ccc(Cl)nn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731150 IHRINLNRIFYCKW-BLLLJJGKSA-N 419.265 -0.200 50 20 HBGD O=C1CC[C@@H](C(=O)NC2CCN(C3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)N1 1834525611 CQOPDKUIURGGTI-GJZGRUSLSA-N 400.907 -0.564 50 20 HBGD CC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835935838 UTOQKMZMYPPEIY-GOSISDBHSA-N 412.198 -0.908 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1839155471 UXJRQYCNWDUAHY-AFAVFJNCSA-N 422.309 -0.185 50 20 HBGD O=C(COc1ccc(O)nn1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1839669052 FLGCEVAWNODNQQ-GOEBONIOSA-N 418.809 -0.448 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@H]3C3CC3)C2)C1 1840182692 PWRKDLZXTRNEIJ-XGHQBKJUSA-N 422.526 -0.138 50 20 HBGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1 1840263850 UNWDGBVHFOWUIK-SCLBCKFNSA-N 413.858 -0.615 50 20 HBGD C[C@@](O)(C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(B(O)O)c1)C(F)(F)F 1847989152 GHBQKMHMQONCIN-HEHGZKQESA-N 400.162 -0.505 50 20 HBGD CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 728022199 MRMREGYSJWFKNR-PEXLVHELSA-N 404.514 -0.238 50 20 HBGD CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 729274962 ICKTWRVSFDQSQL-MEBBXXQBSA-N 409.468 -0.700 50 20 HBGD O=C(CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NNC(=O)c1ccc2c(c1)OCCO2 742503199 UTSXMQIRMYEJLB-BQGCOEIASA-N 415.402 -0.229 50 20 HBGD C#CCNS(=O)(=O)c1ccc(C(=O)NNc2nccc(N3CCOCC3)n2)cc1 762857487 ZNERIXYGSQEIEQ-UHFFFAOYSA-N 416.463 -0.018 50 20 HBGD CC(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1Cl 764233266 UFASKCHMRMSMAR-SSDOTTSWSA-N 404.832 -0.434 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc(-n3ccnc3)cc2)n(C)c1=O 766637034 RTLIUKOWPQXQOH-UHFFFAOYSA-N 422.405 -0.919 50 20 HBGD CN1CCN(C(=O)NNC(=O)c2cc(S(N)(=O)=O)ccc2Br)CC1 773656065 AYDYESABIOGRCE-UHFFFAOYSA-N 420.289 -0.302 50 20 HBGD Cn1nnnc1-c1cccc(S(=O)(=O)NNC(=O)CNC(=O)OC(C)(C)C)c1 777940163 XFFHWGMNAIMRDO-UHFFFAOYSA-N 411.444 -0.289 50 20 HBGD COC(=O)c1cn(CCNC(=O)NNc2nc(O)c3cnn(C(C)(C)C)c3n2)nn1 807251181 RLDQXBDSNSECDW-UHFFFAOYSA-N 418.418 -0.009 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNC(=O)CC(F)(F)F)c1 918366046 RKLWGPIENLLSIG-UHFFFAOYSA-N 410.374 -0.234 50 20 HBGD O=C(NNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1)N[C@@H]1CCS(=O)(=O)C1 919885962 OIKLWACXBPKJIF-GXSJLCMTSA-N 416.406 -0.165 50 20 HBGD O=C(CNC(=O)c1ccccc1OC(F)F)NNC(=O)N[C@H]1CCS(=O)(=O)C1 920212571 QAXFWVLUQCSPHR-VIFPVBQESA-N 420.394 -0.465 50 20 HBGD Cn1cnnc1SCc1ccc(C(=O)NNC(=O)CN2C(=O)CNC2=O)cc1 1317984954 ZRJUYGCAKKUGHV-UHFFFAOYSA-N 403.424 -0.580 50 20 HBGD C[C@@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=N)N)C2 1781997706 DKRNHYCERQGXSY-UEKVPHQBSA-N 404.309 -0.233 50 20 HBGD O=C(CCN1CCOCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1786744610 RBVSCBUETNQXGV-JONQDZQNSA-N 403.907 -0.712 50 20 HBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1ccco1 1795848549 NFJADBXUKKYLMN-ZWUHOBOKSA-N 413.858 -0.147 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1cnn2c1OCCC2 1796193163 POAFJWUYOUSNMA-BJWYYQGGSA-N 424.266 -0.089 50 20 HBGD CC(=O)NCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1825161168 ACNGSHWAAKZFCB-CYBMUJFWSA-N 416.268 -0.815 50 20 HBGD CCOC(=O)O[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1 1830736065 QXDNHRBRJIPCEZ-IIYDPXPESA-N 422.862 -0.396 50 20 HBGD CN1N=C(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Cl)C3)C2)CCC1=O 1832374907 COFSIPJLTDFDSU-XJKSGUPXSA-N 404.826 -0.415 50 20 HBGD Cn1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCBr)C3)C2)n1 1833880217 NHLCMURSWPMNBY-HNNXBMFYSA-N 416.276 -0.330 50 20 HBGD N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1835356703 HIHIGBAZSZUBAN-LJQANCHMSA-N 416.438 -0.941 50 20 HBGD O=C([C@@H](F)Br)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C=CCN3)C2)C1 1839199267 LEKRVZKUFYVGLN-ZOWXZIJZSA-N 406.252 -0.339 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSCC(=O)O)C2)C1 1840155976 LHTAPUUIFYWEEK-MLGOLLRUSA-N 424.903 -0.486 50 20 HBGD O=C(c1cc(O)nc(O)n1)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840187460 CCFKIBBYRCBPCV-OAHLLOKOSA-N 421.237 -0.239 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844300332 ZJLIJMKAGMJREQ-YPKZHZFPSA-N 415.255 -0.288 50 20 HBGD O=C(NNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1)C(=O)N1CCCC1 748343078 JWXMVPATBVSGDG-CQSZACIVSA-N 424.479 -0.473 50 20 HBGD CCN(CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C1CC1 750828369 UMIHNPSXUKFDLO-UHFFFAOYSA-N 410.496 -0.047 50 20 HBGD CC(C)(C)NC(=O)CN1CCC(CNC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)CC1 751111583 QHIUIGCJDVHIPJ-SFHVURJKSA-N 417.576 -0.006 50 20 HBGD Cc1ccc(OCC(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)cc1C 755035876 HXCMSGYQGUFEFB-ZDUSSCGKSA-N 409.468 -0.070 50 20 HBGD Cn1cnc(S(=O)(=O)NCC(=O)NNC(=O)c2ccc(Br)s2)c1 756078484 BUYPJXYWISZOIA-UHFFFAOYSA-N 422.286 -0.016 50 20 HBGD O=C(CNC(=O)c1ccc2c(c1)OCO2)NNc1nccc(N2CCOCC2)n1 762861445 PUOQVIXJPVCYIQ-UHFFFAOYSA-N 400.395 -0.085 50 20 HBGD O=C(NNC(=O)[C@@H]1CN2CCCN1CC2)c1cccc(S(=O)(=O)N2CCCC2)c1 763387190 YHBCCBPAVSFVLN-KRWDZBQOSA-N 421.523 -0.378 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2cccn2C)cc1S(=O)(=O)N(C)C 763994133 XATIBSJABRPMOO-UHFFFAOYSA-N 407.452 -0.016 50 20 HBGD CCOCC(=O)NNC(=O)C(=O)N1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21 764317043 IGMJQSMOJRFGOQ-MRXNPFEDSA-N 418.450 -0.023 50 20 HBGD CSc1cc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)ccc1F 766564847 SCZHZJLPSBNCPP-UHFFFAOYSA-N 420.426 -0.244 50 20 HBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)c1nc[nH]n1 773260916 MZRHCMJLLPLQIM-UHFFFAOYSA-N 408.440 -0.781 50 20 HBGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)NCC(F)(F)F 798316935 YQVOVOMCUVUJSD-ZETCQYMHSA-N 400.383 -0.404 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NNC(=O)C(=O)NC3CC3)C2)s1 849167802 VRYBDJSYBJBYTG-NSHDSACASA-N 414.509 -0.117 50 20 HBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H](C)S(C)(=O)=O)c1 915685830 MUCJVEPWKREMTA-LLVKDONJSA-N 405.498 -0.089 50 20 HBGD Cc1n[nH]cc1CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 916578678 PNWMHQMLDQUDEE-UHFFFAOYSA-N 408.488 -0.124 50 20 HBGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)NCCS(=O)(=O)CC2CC2)c1 1116295994 OYTDFRGQWWWDKG-UHFFFAOYSA-N 403.482 -0.141 50 20 HBGD Cn1c(=O)c2cc(C(=O)NNC(=O)c3cncn3-c3ccccc3)n(C)c2n(C)c1=O 1251213409 OJAZUTWDCZSXDF-UHFFFAOYSA-N 421.417 -0.164 50 20 HBGD C[C@@H](CNC(=O)NNC(=O)C1CCN(c2ncccn2)CC1)CN1CCN(C)CC1 1323368908 IUALEMAYIFYAEZ-INIZCTEOSA-N 418.546 -0.093 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccncc3)C2)C1 1780991389 ADDOPMRZNSQXCR-FQEVSTJZSA-N 403.483 -0.173 50 20 HBGD C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1)N1CCN(C)CC1 1781097358 KLBKSBMPMYTVKT-DAYGRLMNSA-N 402.923 -0.948 50 20 HBGD C[C@H](C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)n1cccn1 1784520562 UPOSTZNTXZAYDP-FOIQADDNSA-N 412.255 -0.732 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)c1ccccn1 1795615290 FPEDYHIEIADGNU-FTUNRGFVSA-N 418.498 -0.956 50 20 HBGD Nc1nc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)cs1 1796111718 SSNBXWSUEYVPMZ-BTTYYORXSA-N 400.269 -0.029 50 20 HBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1800973789 GUBMIDLUHKKUIT-WJNVRWDZSA-N 415.834 -0.365 50 20 HBGD COC(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CBr)C2 1801200578 DZHOICUFSZNAGV-KQXIARHKSA-N 406.277 -0.037 50 20 HBGD C[C@H](Cn1cccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830726161 XBCVHBYCMJZUNS-RKVPGOIHSA-N 414.890 -0.425 50 20 HBGD O=C(NC1CCN(C2CCN(C(=O)c3c[nH]c(=O)cn3)CC2)CC1)[C@H](O)CCl 1833312661 VIZKQQMYSMYTIJ-OAHLLOKOSA-N 411.890 -0.445 50 20 HBGD O=C(CN1CCOC1=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1833384722 KGNACCLBIOFQPZ-OAHLLOKOSA-N 416.906 -0.390 50 20 HBGD C[C@@H](NC=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1839165080 XZVGXBVEBBNSGQ-PBHICJAKSA-N 401.536 -0.571 50 20 HBGD O=C1CC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)[C@H](F)Br)CCO3)C2)N1 1839199290 LWKDVFZZFTXQIZ-IFUGULHKSA-N 422.251 -0.588 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC=CO3)C2)C1 1840185655 RWVSAHXKJMKUAW-JXFKEZNVSA-N 424.498 -0.492 50 20 HBGD COC(=O)[C@@H]1CC[C@@H](C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)C1 1843010515 WWCIHLNRXRZEQY-HZPDHXFCSA-N 414.267 -0.227 50 20 HBGD Cc1nc(N)sc1C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013507 ROQATRHWHPTUIF-UHFFFAOYSA-N 400.269 -0.156 50 20 HBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](N)CN 1848100207 YRJCBSCPVXOIGZ-CYDGBPFRSA-N 403.911 -0.394 50 20 HBGD Cc1n[nH]cc1C(=O)NNC(=O)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 732086934 QIQTWCOFDSLCLE-UHFFFAOYSA-N 409.472 -0.080 50 20 HBGD CN1C(=O)C(=O)N(CC(=O)NNC(=O)NCc2cccc(C(F)(F)F)c2)C1=O 733142085 POHANRBGTXZTJK-UHFFFAOYSA-N 401.301 -0.044 50 20 HBGD Cn1cc(C(=O)NNC(=O)[C@@H]2CCC[C@@H](C(=O)NNC(=O)c3cnn(C)c3)C2)cn1 735446467 ZUCGPPZINCENOI-VXGBXAGGSA-N 416.442 -0.818 50 20 HBGD CC(=O)N1CCN(C(=O)CCNC(=O)NNC(=O)COc2ccc(F)cc2)CC1 737065674 XXGPWDLSVWTBIA-UHFFFAOYSA-N 409.418 -0.384 50 20 HBGD O=C(CN1CCN(c2ccccn2)CC1)NNC(=O)c1ccc(-n2cnnn2)cc1 740740625 YBPRSZANJFFDJQ-UHFFFAOYSA-N 407.438 -0.360 50 20 HBGD Cn1cnc(S(=O)(=O)NCC(=O)NNC(=O)c2cc(Br)c[nH]2)c1 756082084 YPLHNRGAVAQMSU-UHFFFAOYSA-N 405.234 -0.750 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2coc(-c3ccccc3)n2)n(C)c1=O 765729916 IVTWTBYGFQWYFY-UHFFFAOYSA-N 423.389 -0.450 50 20 HBGD Cc1nn(-c2ccncc2)cc1C=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 783856142 QUKLWHZCWUZBJT-UHFFFAOYSA-N 421.421 -0.527 50 20 HBGD C[C@H](CNC(=O)C(=O)NNc1c(F)cc(F)cc1Br)S(N)(=O)=O 785006490 CQZPGCANAXCDPT-RXMQYKEDSA-N 415.216 -0.036 50 20 HBGD CCOC(=O)c1cnc(NNC(=O)C2CCN(S(=O)(=O)NC)CC2)nc1C 803051778 KKVJIYZJEKFGOM-UHFFFAOYSA-N 400.461 -0.419 50 20 HBGD CCc1nnc(NC(=O)[C@H](C)[C@H](C)NC(=O)NNC(=O)[C@@H]2COCCO2)s1 805165697 RDTIUPDRPJLFRY-UTLUCORTSA-N 400.461 -0.191 50 20 HBGD O=C(CN1CCN(Cc2ccccc2Cl)CC1)NN=C1C(=O)NC(=O)NC1=O 814224502 HNPZDJXPKRDRJK-UHFFFAOYSA-N 406.830 -0.704 50 20 HBGD CC(C)(C)NC(=S)NNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 913055354 UQCLWULFMQUILD-UHFFFAOYSA-N 413.525 -0.286 50 20 HBGD COCCC(=O)N1CCC(NC(=O)NNC(=O)CNC(=O)c2cccs2)CC1 1319320453 LLDKKOLUWBOAKP-UHFFFAOYSA-N 411.484 -0.164 50 20 HBGD O=C1NC2(CCN(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)CC2)CO1 1320153990 PFPCARRJYGEETH-UHFFFAOYSA-N 410.456 -0.092 50 20 HBGD C[C@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=N)N)C2 1781997701 DKRNHYCERQGXSY-FIXISWKDSA-N 404.309 -0.233 50 20 HBGD COC[C@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](Cl)COC)C[C@@H]21 1788777097 URRWDNZSKCYJRH-QMHWVQJVSA-N 419.906 -0.629 50 20 HBGD C[C@H]1C[C@]1(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797752887 LQXDYWIMTMYELE-MAZZGDSDSA-N 401.467 -0.066 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Br 1799352274 NPPZBCPGXOMQFZ-RDBQEKCUSA-N 423.283 -0.361 50 20 HBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN(CCO)CCO)[nH]n1)[C@H](O)CCl 1814875005 LPMRJHUUJXKRKC-UONOGXRCSA-N 417.894 -0.712 50 20 HBGD O=C(c1ccc(CO)o1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830732497 ZFJGYXMQFQSAFT-CXAGYDPISA-N 402.831 -0.558 50 20 HBGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)Cn3nccn3)C2)C1 1834823793 KYOJXAFWSBQAIB-HNNXBMFYSA-N 416.276 -0.481 50 20 HBGD O=C(c1ccc(Cl)nn1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837832884 LFFGRJNOGKJACW-BLLLJJGKSA-N 419.265 -0.200 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CS(=O)(=O)CC)C2)C1 1839142583 SWTRBYSDDIQBET-CJNGLKHVSA-N 410.920 -0.105 50 20 HBGD CCOC(=O)N[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](Cl)CC)CCO2)C1 1839145283 CBTMWHXXGOAFOZ-OGHNNQOOSA-N 421.878 -0.475 50 20 HBGD O=C(c1nc[nH]n1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839198706 ANUKFFGENHRVJD-TVQRCGJNSA-N 406.212 -0.435 50 20 HBGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1839861462 ZNMWEUVRRYQFRS-MLGOLLRUSA-N 420.304 -0.261 50 20 HBGD Cn1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cn1 1840462885 SBMRFSVDDCGMPY-PBHICJAKSA-N 400.863 -0.981 50 20 HBGD CC[C@@H](Br)C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CNC2=O)C1 1841848627 DWTJKDMUMFWQJA-SNVBAGLBSA-N 401.261 -0.085 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2cn3ncccc3n2)C1 1843770340 OIXMLBWRUBROGO-UHFFFAOYSA-N 420.433 -0.141 50 20 HBGD CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNC(=O)NC3CC3)c2)CC1 138667726 XJEIQSVNZFYFLN-UHFFFAOYSA-N 409.468 -0.354 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)N1CCN(C(=O)c2ccccc2O)CC1 725871092 XRFBBLOEHPAIPD-UHFFFAOYSA-N 415.406 -0.086 50 20 HBGD CN(CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)C1CC1 733123233 CFWUODTYKOHGDO-UHFFFAOYSA-N 424.479 -0.663 50 20 HBGD C[C@H](CS(C)(=O)=O)NC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 733663115 UTROCQQDGLJJFB-OAHLLOKOSA-N 411.528 -0.038 50 20 HBGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1 740812727 YBTOPKVZCABTEJ-UHFFFAOYSA-N 409.461 -0.157 50 20 HBGD COCC(=O)N[C@H](C(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C(C)C 741206905 GNMIGMVLPMWYSS-ZDUSSCGKSA-N 420.875 -0.464 50 20 HBGD O=C(NCC1CCN(S(=O)(=O)c2ccccc2)CC1)NNC(=O)C(=O)NC1CC1 747310525 QXTFRCDTCRAVMK-UHFFFAOYSA-N 423.495 -0.304 50 20 HBGD O=C(COC(=O)C[C@H]1CCS(=O)(=O)C1)NNC(=O)[C@H]1COc2ccccc2O1 750004978 PWEGZAXKYLAJBQ-BXUZGUMPSA-N 412.420 -0.658 50 20 HBGD CCn1cc(NC(=O)C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cn1 763731662 BMVQBAHCLGSNGZ-UHFFFAOYSA-N 422.467 -0.382 50 20 HBGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 763826283 YBYYAOKPVMLEKY-UHFFFAOYSA-N 417.447 -0.287 50 20 HBGD COCCCOc1ccccc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 764226666 JYDHJRSBHJYMCX-NSHDSACASA-N 416.456 -0.875 50 20 HBGD CN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NNC(=O)C3CCC3)cc2)CC1 764341791 KDMLKMYSBVHMSQ-UHFFFAOYSA-N 401.467 -0.111 50 20 HBGD CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NNC(=O)OC)c2)CC1 765372147 KVPKEEMMQQWDNM-UHFFFAOYSA-N 413.456 -0.662 50 20 HBGD C/C(=C\C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(F)cc1 765727022 IMVVIHMVYZAXCD-DHZHZOJOSA-N 414.397 -0.176 50 20 HBGD CCOC(=O)c1cnc(NNC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)nc1C 778430635 WHXQKQHLDYKITF-UHFFFAOYSA-N 406.424 -0.098 50 20 HBGD CS(=O)(=O)NC1CC(NC(=O)NNC(=O)c2csc(N3CCOCC3)n2)C1 800983820 VPOWESFNUSMZPX-UHFFFAOYSA-N 418.501 -0.996 50 20 HBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(N2CCN(C(=O)OC)CC2)nc1 815569717 FJOFBLMPSRDYEV-UHFFFAOYSA-N 408.415 -0.908 50 20 HBGD CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NNC(=O)C2=NN(CCO)C(=O)CC2)C1 819659603 XKVXBQNKGNDSBY-LBPRGKRZSA-N 411.459 -0.248 50 20 HBGD NC(=O)[C@H]1CCCN1Cc1cccc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 920932999 JCARIVDTDVRQEK-UKRRQHHQSA-N 423.495 -0.276 50 20 HBGD COCCN1C(=O)/C(=C/NNC(=O)Cc2nc3ccccc3n2C)C(=O)NC1=S 920978775 QUFIZTOKQVQNRS-ZHACJKMWSA-N 416.463 -0.490 50 20 HBGD O=C(CC1(CC(=O)N2CCOCC2)CCCC1)NNC(=O)[C@H]1CCS(=O)(=O)C1 1318259499 UBNTWNJRSKWFGM-AWEZNQCLSA-N 415.512 -0.232 50 20 HBGD Cc1cc2nnc(C(=O)N3CC[C@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)c(C)n2n1 1777779545 VYVWNWRKOCLLGG-UGSOOPFHSA-N 422.873 -0.216 50 20 HBGD CC(=O)N/C(C)=C/C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783937893 YIDZPWOAFDTDQD-VUVZNRFTSA-N 409.487 -0.771 50 20 HBGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NNC(=O)C3)C[C@@H]21 1791055676 DEAVOARHMYGGRL-WDCWCFNPSA-N 401.261 -0.375 50 20 HBGD Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)n[nH]1 1791291409 UQRUEHPNCPBIJE-XIRDDKMYSA-N 420.514 -0.387 50 20 HBGD O=C(COc1ccccc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1795188421 VYRADTMNJQGBPP-UPHUGPLXSA-N 424.262 -0.351 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(F)cn1)C2)c1ccc(B(O)O)cc1 1795732405 BWWIMLKFQQSXKP-ZSBFGKGUSA-N 413.214 -0.583 50 20 HBGD CNC(=S)NCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](Cl)COC)C2 1797759754 HQIYBCQGVYYHJE-GFQSEFKGSA-N 406.936 -0.686 50 20 HBGD O=C(NC[C@@H]1CCN(C(=O)[C@@H]2C=CCN2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807377179 ZAKKOOWHLBCHIL-YSIASYRMSA-N 420.278 -0.391 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)N(C)C)CCO2)C1 1830047524 YXIQHMIWELKVJL-CXAGYDPISA-N 404.895 -0.269 50 20 HBGD CC(C)(C)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1834781494 HTNHEPKFEYWWPD-NRFANRHFSA-N 418.299 -0.127 50 20 HBGD O=C(c1cnc(O)[nH]1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1838069636 BCJGLGGGDBMOJM-QMTHXVAHSA-N 421.223 -0.124 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839155491 VJVGPMZRMNJZPS-CVEARBPZSA-N 407.250 -0.233 50 20 HBGD O=C(Cn1nccn1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839201988 PNNALMDFZMUYFM-OCCSQVGLSA-N 420.239 -0.575 50 20 HBGD CCC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](Cl)COC)CCO2)C1 1840150944 UJOMIZWCITZAQU-HBUWYVDXSA-N 419.906 -0.389 50 20 HBGD CS(=O)(=O)c1cncc(C(=O)N2CC3(CCCN3C(=O)[C@H](O)CCl)C2)c1 1841350233 PXDNBVLQJAKMGQ-CYBMUJFWSA-N 401.872 -0.098 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2nc3ccc(F)cn3n2)C1 1845728789 ZGYFWMYLTSPJRS-UHFFFAOYSA-N 423.213 -0.321 50 20 HBGD CCN1CCO[C@@H](C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 746097226 XIWZODVRTTURBF-MRXNPFEDSA-N 410.496 -0.047 50 20 HBGD O=C(NNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1)[C@H]1CCS(=O)(=O)C1 749117583 JZMHYOKZWZDETD-WDEREUQCSA-N 421.522 -0.517 50 20 HBGD COc1cc2cc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)[nH]c2c(OC)c1OC 758035645 MQSINFNWARXWLX-MRVPVSSYSA-N 414.440 -0.108 50 20 HBGD Cc1nc2cc(O)nn2c(C)c1CCC(=O)NNC(=O)CNC(=O)c1cccnc1 764345761 VKDPJJCYJIWYNV-UHFFFAOYSA-N 411.422 -0.043 50 20 HBGD COc1ccc(C(C)=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(O)c1 764818787 VMYDIYPWMPNIMK-UHFFFAOYSA-N 400.395 -0.312 50 20 HBGD CC[C@@H]1C[C@H](CC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CCO1 781710587 PITXYCYRFLZADL-VXGBXAGGSA-N 406.443 -0.824 50 20 HBGD COc1ccccc1C(=O)NNC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 786121587 NDGKEWYELKRIEH-UHFFFAOYSA-N 417.426 -0.988 50 20 HBGD C[C@]1(CCCC(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)NC(=O)NC1=O 801433557 MBINMKQEZNPCAL-GOSISDBHSA-N 401.379 -0.369 50 20 HBGD NS(=O)(=O)c1ccccc1CNC(=O)NNC(=O)CNC(=O)c1cccs1 807605825 SJGCGRQDRFLNNU-UHFFFAOYSA-N 411.465 -0.344 50 20 HBGD C[C@@H](C(=O)N(C)CC(=O)NNC(=O)c1csc(N2CCOCC2)n1)n1cccn1 917496353 VAPGABGWHXAVQH-LBPRGKRZSA-N 421.483 -0.343 50 20 HBGD O=C1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)CC(F)(F)F)cc2)CCN1 918366829 WKBZXZNDWXSWFM-UHFFFAOYSA-N 408.358 -0.480 50 20 HBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NNC(=O)Cc1cccnc1 1115990245 WYKJSMAMSQDWEY-UHFFFAOYSA-N 419.467 -0.099 50 20 HBGD C=C[C@@H](COC)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1325633905 DPGGIIASNGUJJL-AWEZNQCLSA-N 412.468 -0.148 50 20 HBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)c1ccncn1 1778156872 TZSRBTFBIJMMJT-WIYYLYMNSA-N 424.266 -0.402 50 20 HBGD COC[C@H](NC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1779317142 BSFMMRZOHRLOJQ-YWPYICTPSA-N 424.267 -0.342 50 20 HBGD Cc1noc(N)c1C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783933848 IWECCPHZNLPPGU-SFHVURJKSA-N 408.459 -0.618 50 20 HBGD O=C(CC[C@H]1CCOC1)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1784809697 WYFPJEGHMQWBJG-KKSFZXQISA-N 416.283 -0.373 50 20 HBGD CN[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](Cl)COC)C[C@@H]21)C(=O)O 1786899482 IIRXLFZXSJBZSY-YHQUGGNUSA-N 405.879 -0.717 50 20 HBGD CC(C)(C)[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797748632 NSUFLOQHGUAIIB-VZAMPYOESA-N 419.482 -0.705 50 20 HBGD CC[C@@H](NC(C)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798439062 AWXJCLZYEQDIKS-UMPJEAMMSA-N 416.482 -0.148 50 20 HBGD CC(=O)N[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1801682083 JBLFGXKWJZORMU-RUZUBIRVSA-N 402.455 -0.539 50 20 HBGD O=C(CN1CC(=O)NC1=O)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1 1804183685 RJQHUYPWRNKPAM-HEHGZKQESA-N 423.857 -0.761 50 20 HBGD O=C(c1ccc(F)cn1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1834473131 OMDVBRGNBQDECO-PBHICJAKSA-N 401.822 -0.110 50 20 HBGD COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)nn1 1838346564 WFACZPQBFYYBJZ-GUYCJALGSA-N 414.846 -0.845 50 20 HBGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CN(C)C3)C2)C1 1840036087 DQTFVZBMSZIOLB-MLGOLLRUSA-N 404.305 -0.212 50 20 HBGD O=C(CCN1CCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840938383 RDCBOVGHVDUWSQ-YJBOKZPZSA-N 403.907 -0.472 50 20 HBGD CC[C@@H](Br)C(=O)N1CC2(CCCN2C(=O)CN(CCO)CCO)C1 1846034781 FLIOVVKWOPEQCU-CYBMUJFWSA-N 406.321 -0.350 50 20 HBGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)Cn2cc(S(N)(=O)=O)cn2)cc1 109698001 RNBAOFNDBIKXJF-LLVKDONJSA-N 411.440 -0.456 50 20 HBGD O=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)NNc1cccnn1 736379563 WFLPZYJZAXGPSL-UHFFFAOYSA-N 406.472 -0.350 50 20 HBGD COc1ccc(C(=O)NNS(=O)(=O)c2ccccc2S(N)(=O)=O)cc1OC 741649674 WHBNCJKOQYEBTP-UHFFFAOYSA-N 415.449 -0.026 50 20 HBGD NC(=O)c1cc(S(=O)(=O)NCC(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)c[nH]1 742241513 LDKXUJFBJAVAAR-UHFFFAOYSA-N 423.495 -0.244 50 20 HBGD C[C@@H](C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1)N1C(=O)CCC1=O 748620648 STOMTAISPBRNCM-ZDUSSCGKSA-N 423.495 -0.397 50 20 HBGD COc1cc(OC)cc(C(=O)NNC(=O)NCCNS(=O)(=O)NC(C)C)c1 759516561 IDIYZVKWZIESEN-UHFFFAOYSA-N 403.461 -0.520 50 20 HBGD CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2cc(C)[nH]n2)cc1 763119840 OUOYLJUUTCKOCQ-UHFFFAOYSA-N 409.424 -0.366 50 20 HBGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1cc(F)cc(N2CCOCC2)c1 764399991 OPDGLYLOAOFRPV-GFCCVEGCSA-N 412.418 -0.200 50 20 HBGD COCCCNC(=O)NNC(=O)CN1C(=O)N[C@@](C)(c2ccccc2OC)C1=O 771253299 UAZIRPIFYCZDID-SFHVURJKSA-N 407.427 -0.171 50 20 HBGD CC(C)(C)OC(=O)N1CCC(OCC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)CC1 777093196 QYSRETWNAQENPE-GFCCVEGCSA-N 419.500 -0.015 50 20 HBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)Cn1cc(Br)c(O)nc1=O 778440688 BCHKRLNLFQTQFN-UHFFFAOYSA-N 420.220 -0.617 50 20 HBGD CNS(=O)(=O)c1ccccc1S(=O)(=O)NNC(=O)COc1ccccc1O 799769870 FDVFBYUSEGFAMF-UHFFFAOYSA-N 415.449 -0.311 50 20 HBGD COCCO[C@@H](C)C(=O)NNC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F 806564616 DTMMMYFKKLKGEW-DTWKUNHWSA-N 408.399 -0.809 50 20 HBGD COC[C@@]1(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)CCN(C(=O)OC(C)(C)C)C1 809972169 DMYRHRTWXOXUAU-YVEFUNNKSA-N 419.500 -0.158 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2cc(C3CC3)ccn2)n(C)c1=O 810322969 SDHIKSPXVHAUMG-UHFFFAOYSA-N 412.410 -0.441 50 20 HBGD Cc1cc(C)c(C(=O)O)cc1C=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 814877792 ZUCXMGMIWMHUJK-UHFFFAOYSA-N 412.406 -0.101 50 20 HBGD CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)o1 914846571 PSFATYRMYSQKPT-UHFFFAOYSA-N 419.419 -0.148 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3ccncc3)CCO2)C1 1779028157 FUIKKMUHNYARPC-HXUWFJFHSA-N 410.434 -0.163 50 20 HBGD O=C(CN1C(=O)C=CC1=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](F)Cl)C2 1782313662 UTQIDDJCMDXJRV-RGYTYGDFSA-N 401.822 -0.040 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccncc3)C[C@@H]21)c1cccc(B(O)O)c1 1786984547 NSDYQTATINWSTH-WDSOQIARSA-N 409.251 -0.332 50 20 HBGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCOCC3)C[C@@H]21 1791251349 FQIRNRDFXPYBRK-VGWMRTNUSA-N 403.907 -0.448 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1cc2cccnn2n1 1796191830 DBYBSMYPXUXTFG-BJWYYQGGSA-N 419.250 -0.025 50 20 HBGD Cc1cccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)n1 1801010671 PORBDUVAMXVIET-VPTLXERWSA-N 417.510 -0.105 50 20 HBGD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C)n1cccn1 1801012087 BPNSTTPBNCUJFO-AFIMGQEJSA-N 406.487 -0.593 50 20 HBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSc1nc[nH]n1 1801303055 QHRBGACEYIYEMV-LSCVPOLPSA-N 403.892 -0.260 50 20 HBGD Cc1cnn(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1 1830722859 HPHIPYOTTRPGQT-YOEHRIQHSA-N 400.863 -0.752 50 20 HBGD Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cn1 1830724768 BUVRZADMYSVDAW-QFBILLFUSA-N 411.886 -0.011 50 20 HBGD CCc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)nn1C 1830731771 MOFPLAWMHLAILT-CRAIPNDOSA-N 414.890 -0.348 50 20 HBGD Cn1ncnc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839198345 YIMCCSSSUFIEQC-IINYFYTJSA-N 420.239 -0.424 50 20 HBGD CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839222126 DNUMWOUEWRZZSY-JKIFEVAISA-N 405.879 -0.157 50 20 HBGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(C)=O)CCO2)C1 1839861002 ZNDRRJSLHXHVON-XJKSGUPXSA-N 420.304 -0.248 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1cccnc1C(N)=O)C2 1846384287 YREUUMVSAPUJCY-UHFFFAOYSA-N 402.455 -0.630 50 20 HBGD COc1ccc(CNC(=O)CNC(=O)NNC(=O)CNC(=O)c2ccco2)cc1 725870966 WKPDYWKDTWQAOO-UHFFFAOYSA-N 403.395 -0.335 50 20 HBGD O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)NNC(=O)c1ccccc1O 732474649 RWUWHCXNMRDKDR-LBPRGKRZSA-N 400.457 -0.175 50 20 HBGD Cn1cc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cn1 755494499 XHJNXSFZGAVTFH-UHFFFAOYSA-N 408.440 -0.093 50 20 HBGD CC(C)NC(=O)C(=O)NNC(=O)CCNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C 760797950 BIXUWMTYKPZBDN-GFCCVEGCSA-N 413.475 -0.436 50 20 HBGD NC(=O)c1cc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)ccc1F 763575320 TXDUKADVYLZIFW-CQSZACIVSA-N 402.338 -0.150 50 20 HBGD CCN(CC)Cc1cccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 764226329 HVQHJIKVOBSUKF-LBPRGKRZSA-N 413.500 -0.448 50 20 HBGD CCOc1ccc(NC(=O)C(=O)NNC(=O)CO)cc1S(=O)(=O)N(CC)CC 764421955 OYXQRGCXMZWIQT-UHFFFAOYSA-N 416.456 -0.806 50 20 HBGD CCn1nc(C(=O)NNC(=O)CN(C)CC(=O)NC(C)C)c2ccccc2c1=O 768934170 LYBZIPBCNZLXAL-UHFFFAOYSA-N 402.455 -0.366 50 20 HBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)NC[C@H](C)O)cc1 772001251 CBVYDMDXUWBQJQ-WDEREUQCSA-N 401.441 -0.552 50 20 HBGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)CCS(=O)(=O)N(C)C 772265844 JWAJUBDJNAFRER-UHFFFAOYSA-N 421.859 -0.066 50 20 HBGD CC(C)[C@H](C(=O)NNC(=O)CNC(=O)c1cccs1)N1CCCS1(=O)=O 772694143 KSLNAJKPSWUQMO-CYBMUJFWSA-N 402.498 -0.315 50 20 HBGD Cc1ccc(-n2nccc2NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)nn1 773489807 BRVHRRSRZRCFGE-CQSZACIVSA-N 423.389 -0.103 50 20 HBGD Cn1cc(C(=O)NNS(=O)(=O)c2ccccc2S(=O)(=O)N2CCCC2)cn1 775280961 NCQUQRHCVWHAHO-UHFFFAOYSA-N 413.481 -0.172 50 20 HBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 778701213 WLWZKJMNDMUWRT-CDGCEXEKSA-N 421.454 -0.351 50 20 HBGD CCN1CCN(c2cccc(NC(=O)C(=O)NNC(=O)C(=O)N3CCCC3)c2)CC1 783999333 GLOJREFZGLISBU-UHFFFAOYSA-N 416.482 -0.463 50 20 HBGD COc1ccc(N2C[C@H](C(=O)NNC(=O)CN3CCCC3=O)CC2=O)c(OC)c1 789856281 DQVNCDVUILUDTO-GFCCVEGCSA-N 404.423 -0.174 50 20 HBGD O=C(CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2)N1CC[C@@H](B(O)O)C1 864232255 YHOWGPFWWZGRIT-CYBMUJFWSA-N 412.273 -0.018 50 20 HBGD CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1115975821 SCFJEZKSXILRDO-MLGOLLRUSA-N 406.464 -0.203 50 20 HBGD Cc1c(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cnn1CCO[C@@H]1CCCCO1 1253694814 TVVRDSMBFYBXCN-UKRRQHHQSA-N 414.484 -0.070 50 20 HBGD Cc1cc2nnc(C(=O)N3CC[C@@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)c(C)n2n1 1777779544 VYVWNWRKOCLLGG-SCLBCKFNSA-N 422.873 -0.216 50 20 HBGD CC[C@H](C)[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779029608 VIWXUSSHNBUJQU-RISOHXOYSA-N 419.482 -0.464 50 20 HBGD CCNC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1788563024 UCNLSQCJEBOPBQ-HTOAHKCRSA-N 404.895 -0.727 50 20 HBGD CC(F)(F)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788610591 IPZHNKYENBUZAR-BPNCWPANSA-N 411.409 -0.066 50 20 HBGD O=C(CN1CCOC1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2 1793165170 IMGVBAZBHDNTOB-QCMRWSPLSA-N 408.224 -0.281 50 20 HBGD CCC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1793446727 LHBJWLIALBEMGS-YALNPMBYSA-N 408.691 -0.023 50 20 HBGD CC[C@@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2 1796321730 ZDGXZSAMTNYWCO-QGKZMRNZSA-N 409.256 -0.287 50 20 HBGD CN[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Br)C(=O)O 1799346573 RLKSKBKXBRMXRP-YYTHCXKUSA-N 410.240 -0.671 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[C@@H]1[C@H]2C=CS[C@@H]21 1800250637 SQGCWYMQRDKQEA-OPICCCTDSA-N 414.292 -0.555 50 20 HBGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1ncon1 1811179047 OEBKNDHXHLKXJD-RDJZCZTQSA-N 421.222 -0.222 50 20 HBGD CCOC(CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2)OCC 1830738788 SPPLTQKDFCHDDR-KBXCAEBGSA-N 422.906 -0.168 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C(=O)OC)CC1)CCO2 1839898705 OKYDTESTIRRMJM-DYVFJYSZSA-N 418.874 -0.350 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ncccn3)C2)C1 1840150835 RPVMOAABFHSVNT-KBXCAEBGSA-N 412.874 -0.271 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)OC)C2)C1 1840155469 DAMMRGCEXCEZIN-MLGOLLRUSA-N 407.851 -0.947 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)COc1cccnc1)C2 1844263638 ZWJOCTJMDWLKBO-UHFFFAOYSA-N 410.434 -0.024 50 20 HBGD O=C(CS[C@@H]1CCS(=O)(=O)C1)NNC(=O)c1csc(N2CCOCC2)n1 726089728 RQBYLSYRARYKSF-SNVBAGLBSA-N 420.538 -0.339 50 20 HBGD COc1cccc(NCC(=O)NNC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)c1 728206602 WPTYJCAXDJLWML-UHFFFAOYSA-N 414.422 -0.543 50 20 HBGD C[C@@H]1CN(CCC(=O)NNC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)C[C@@H](C)O1 743290434 GIMLBUIJHMEYEJ-ZZVLORQYSA-N 422.482 -0.814 50 20 HBGD COCCOC[C@@H](C)NC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 745863883 JNSMHWFSNBVLLC-CQSZACIVSA-N 416.500 -0.003 50 20 HBGD C[C@H](CS(C)(=O)=O)C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 746822201 OFSBHAWSPJTKAH-GFCCVEGCSA-N 417.509 -0.087 50 20 HBGD Cn1cc(N2CCN(C(=O)NNC(=O)C3CCN(c4ncccn4)CC3)CC2)cn1 747501091 SZGBTMJSWRRGNO-UHFFFAOYSA-N 413.486 -0.011 50 20 HBGD C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)NNC(=O)C(=O)Nc1ccccn1)C2=O 757054283 QKGMOOODMRBJTP-RYUDHWBXSA-N 416.438 -0.086 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 758028318 DPBOZXGHWPSZOX-VIFPVBQESA-N 410.412 -0.306 50 20 HBGD Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)C(=O)NNC(=O)[C@H]1COCCO1 764431307 BCOXBNGHAFEHHI-OAHLLOKOSA-N 406.439 -0.118 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cncc3ccccc23)n(C)c1=O 766637523 UDNQYNABGZZDTF-UHFFFAOYSA-N 407.390 -0.557 50 20 HBGD Cc1cccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1Br 769266595 NPHQGIWSFLTQSN-QMMMGPOBSA-N 421.273 -0.219 50 20 HBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 778433291 JIWDYOXWKFZESK-ZDUSSCGKSA-N 422.417 -0.082 50 20 HBGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNC(=O)Cc2ccncc2)[C@H](C)O)cc1 779530109 HMHUOGDGFUCZES-SUMWQHHRSA-N 406.464 -0.192 50 20 HBGD O=C(NNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)[C@H]1CCc2nncn2C1 793451499 UIMBSONQZGXKLD-VIFPVBQESA-N 424.395 -0.470 50 20 HBGD CSC[C@H](C(=O)NNC(=O)N1CCN(C)CC1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 807383131 LMVKCEGCSOUZJD-MGPQQGTHSA-N 411.528 -0.119 50 20 HBGD O=C(NNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)c1ccc(Cl)nc1 917252598 PGGOLJOHZAAWSS-WDEREUQCSA-N 400.844 -0.468 50 20 HBGD CC(C)=C[C@H]1[C@H](C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1(C)C 920489226 JJRIQIGHIXGAPE-WCQYABFASA-N 402.455 -0.181 50 20 HBGD COC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)Br)C2)C1 1783533907 LYIUKNHIYYZKLT-DETPVDSQSA-N 420.304 -0.249 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnsn3)C[C@@H]21)c1cccc(B(O)O)c1 1786984625 SDUPCINGKXTSKG-NOLJZWGESA-N 416.268 -0.875 50 20 HBGD NC(=O)c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)cc1 1791892965 PNPNHOAWFYWQBP-VGWMRTNUSA-N 409.870 -0.022 50 20 HBGD CS(=O)(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCBr 1795117278 YNIOPQAMCDBISJ-GNXNZQSNSA-N 411.318 -0.204 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=CCCS1)C2)c1cccc(B(O)O)c1 1795737722 MHLYEOFPLXPATQ-XOIINTDNSA-N 402.281 -0.410 50 20 HBGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1nc[nH]n1 1807866090 JFBVFRHARUZYJM-NVXWUHKLSA-N 420.238 -0.487 50 20 HBGD O=C1CC[C@H](C(=O)N2CCC3(CCCN(C(=O)c4cccc(B(O)O)c4)C3)CC2)N1 1809976583 ILXBLHNNLHZTSF-QGZVFWFLSA-N 413.283 -0.510 50 20 HBGD CN1CC(C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)C1 1813608044 NJNAQSUPUOMLFK-YLJYHZDGSA-N 422.294 -0.357 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnn3C)CCO2)C1 1834238743 HFJXUMHOULEPSJ-GUYCJALGSA-N 400.863 -0.256 50 20 HBGD C[C@H](Cn1cncn1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1837643906 YHTTZQFOEVQGSN-DVOMOZLQSA-N 403.842 -0.095 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn(C)cn3)C2)C1 1840150025 DVTQOCVVVPDEAU-GUYCJALGSA-N 400.863 -0.256 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2cnc(O)nc2O)C1 1843352444 HQDSMHJMHIKPSJ-UHFFFAOYSA-N 413.394 -0.983 50 20 HBGD O=C(CNC(=O)c1cc(-c2ccccc2)on1)NNC(=O)[C@H]1CCS(=O)(=O)C1 726523974 JUIXREXJBRQLIX-LBPRGKRZSA-N 406.420 -0.347 50 20 HBGD COCC[S@@](=O)Cc1cccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 756615124 WJKZWRQPUUIGDW-KPHLJTLVSA-N 420.513 -0.328 50 20 HBGD CCS(=O)(=O)NCC(=O)NNC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 759122758 XSPFOVIRSVDLLC-UHFFFAOYSA-N 407.493 -0.344 50 20 HBGD Cc1ccc2[nH]c(C(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc2c1 766644126 OCCJCLADXGDPDW-UHFFFAOYSA-N 409.406 -0.315 50 20 HBGD CCCNC(=O)CN1CCC(NC(=O)NNC(=O)CNC(=O)OC(C)(C)C)CC1 778603544 XKVKPCALESXWSP-UHFFFAOYSA-N 414.507 -0.168 50 20 HBGD O=C(NNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1)c1ccncc1 780145221 KGMFWLBHIZLMSD-HIFRSBDPSA-N 408.411 -0.194 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cnn(C)c1-c1ccccc1 806978217 RFDYSOOGBRAZFC-JTQLQIEISA-N 408.440 -0.889 50 20 HBGD CS(=O)(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)cc1Cl 815778327 MGIYIEUOWUBQFC-LLVKDONJSA-N 404.832 -0.024 50 20 HBGD CS(=O)(=O)CC1(CNC(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1 1340049954 XAUVRHNQGUOZMP-UHFFFAOYSA-N 417.513 -0.252 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCOC3=O)C[C@@H]21)[C@@H](O)CCl 1784093058 PHYVHAKOJGFLSX-XUXIUFHCSA-N 403.863 -0.592 50 20 HBGD N=C1NCCN1CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]2C1 1789922719 OURCPFTXCXCRLE-MRBYEJRBSA-N 420.283 -0.503 50 20 HBGD Cc1ncc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)[nH]1 1791288091 WXJQGLBRZBGKOF-DZKIICNBSA-N 406.487 -0.316 50 20 HBGD Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)cc1O 1795739754 JSCZSFNPFIZLHR-XEMDLRDOSA-N 424.262 -0.103 50 20 HBGD O=C1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](F)Br)CN1 1799343395 URTHUBLYGRKAKS-DQYMBCKPSA-N 406.252 -0.207 50 20 HBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Cl)C2 1801285896 VTGRCNZTAQMFGU-OBRUSBNWSA-N 415.853 -0.419 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCC2(CCCN(C(=O)[C@@H]3CNC(=O)O3)C2)CC1 1806116829 FODSWSYISCEOES-AWEZNQCLSA-N 409.487 -0.301 50 20 HBGD O=C([C@H](O)CCl)N1CCO[C@]2(COCCN(C(=O)[C@H](O)c3ccccc3)C2)C1 1830722580 DQUQMRJFLANYIE-GPMSIDNRSA-N 412.870 -0.224 50 20 HBGD CN(C)c1ncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)o1 1830725265 MNRPQQQYJRQOPE-SJKOYZFVSA-N 416.862 -0.590 50 20 HBGD O=C(NC1CCN(C2CCN(C(=O)CN3CCCC3=O)CC2)CC1)[C@@H](O)CCl 1833309090 MLDDXDGZPVTGNM-INIZCTEOSA-N 414.934 -0.220 50 20 HBGD CCC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCO2)C1 1839076507 JFXJTVQCRKBKPL-JTOWHCCKSA-N 403.907 -0.427 50 20 HBGD CCNC(=O)N[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844264476 WNKFGIPJSWKMGA-LBPRGKRZSA-N 417.470 -0.790 50 20 HBGD CS(=O)(=O)N1CCC(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H](O)CCl)CC1 1847558245 AWKHUKDPUZFSJC-IHRRRGAJSA-N 407.920 -0.541 50 20 HBGD O=C(CNC(=O)c1cccs1)NNC(=O)NCCS(=O)(=O)NCC1CCC1 731683219 NLEYAINKEDROSX-UHFFFAOYSA-N 417.513 -0.472 50 20 HBGD N#Cc1ccc(OCC(=O)NNC(=O)NCCS(=O)(=O)NCC2CCC2)cc1 731760840 CKXAGTZPNBKMKA-UHFFFAOYSA-N 409.468 -0.013 50 20 HBGD CC(C)n1nc(C(=O)NNC(=O)CN2C(=O)C(=O)N(C)C2=O)c2ccccc2c1=O 733127064 XVROULAMHDVYFN-UHFFFAOYSA-N 414.378 -0.841 50 20 HBGD O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)NNC(=O)C(=O)N1CCCC1 748247282 XAXOFSCRUILMIY-UHFFFAOYSA-N 414.509 -0.155 50 20 HBGD O=C(NNC(=O)[C@H]1CN2CCCN1CC2)c1cccc(S(=O)(=O)N2CCCC2)c1 763387193 YHBCCBPAVSFVLN-QGZVFWFLSA-N 421.523 -0.378 50 20 HBGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)C(=O)Nc1cnn(-c2ncccn2)c1 763570851 JDBCKCXSEJRGHY-CQSZACIVSA-N 409.362 -0.412 50 20 HBGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1 764343238 MZHSAPRHXYFUTI-UHFFFAOYSA-N 410.365 -0.042 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CCC(=O)c1ccc2c(c1)CCC(=O)N2 768708188 YERBNCIFUASBKG-SNVBAGLBSA-N 410.452 -0.381 50 20 HBGD COC[C@@H](CNS(=O)(=O)CBr)NS(=O)(=O)CBr 782480151 FRNNRDSOSNRDNF-ZCFIWIBFSA-N 418.129 -0.455 50 20 HBGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1ccccc1CN1CCSCC1 783999005 ITTXFPWTCXWIHS-UHFFFAOYSA-N 419.507 -0.056 50 20 HBGD Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(=NNC(=O)[C@H]2CCS(=O)(=O)C2)CC1 914555708 XFZBGEWONMZVSI-LBPRGKRZSA-N 417.513 -0.282 50 20 HBGD Cn1nc(C(=O)NNC(=O)NC[C@@H]2COC3(CCOCC3)O2)c2ccccc2c1=O 1324978798 ZLUUIYHXGZBITB-GFCCVEGCSA-N 417.422 -0.200 50 20 HBGD C[Si](C)(C)OCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1779296066 INATVPZFBHUEDE-LJQANCHMSA-N 420.347 -0.339 50 20 HBGD Cc1ccn(C)c1C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1780405019 HHVLINWKGGACGS-NRFANRHFSA-N 411.267 -0.229 50 20 HBGD CC(=O)C[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786986511 KBERUTNGNIUQDI-FDARSICLSA-N 416.283 -0.425 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21)[C@@H](F)Br 1789922473 KJKYDJRXYBTZHV-QFOLPQNPSA-N 405.228 -0.657 50 20 HBGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)n3cnnn3)C[C@@H]21 1791065022 PCVGQSMLRFSVGX-PPCPHDFISA-N 415.292 -0.003 50 20 HBGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)CCC(N)=O)C2 1792867573 GEGFBGRQTQWIPI-VXUPGSCNSA-N 419.320 -0.800 50 20 HBGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H](NC)C(=O)O 1795647508 PLEBMJCKGSLCSN-ZUDIRPEPSA-N 420.304 -0.188 50 20 HBGD CC[S@@](=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796188895 YQHSMYDSUHBCQL-MOOZGVFRSA-N 406.313 -0.223 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cnnn1)C2 1796892242 RHXIKYNJLOJWIS-ZVMOGAGKSA-N 413.442 -0.555 50 20 HBGD CN[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@](C)(Cl)CCl)C(=O)O 1799275120 OJNJAMRQMXQOAM-GACTXADBSA-N 410.298 -0.125 50 20 HBGD C[C@H](NC=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCC(=O)NN(C)C)CC2 1822903362 SIPJOSIOOXDPKO-WDEREUQCSA-N 410.500 -0.437 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1839146473 ZNMQMUHIDJGXNB-QILLFSRXSA-N 419.906 -0.889 50 20 HBGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)COCCO)CCO2)C1 1839195412 RCGBXBHGUBMOJF-IUODEOHRSA-N 409.277 -0.765 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1 1840033684 MUSAGHCRUWGABS-BONVTDFDSA-N 417.260 -0.898 50 20 HBGD O=C1CCCCN1CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1840104822 DZYSGGHXZZMGOR-WBVHZDCISA-N 405.854 -0.010 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3)C2)C1 1840183647 RBAMIZSSIPAZAU-HXUWFJFHSA-N 419.482 -0.475 50 20 HBGD CN1N=C(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(Cl)Cl)CCO3)CCC1=O 1840186618 LOAIXQQARQKPEY-MRXNPFEDSA-N 421.281 -0.145 50 20 HBGD CCCS(=O)(=O)CC(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 728333880 BUEFVMBPHYUCGA-ZDUSSCGKSA-N 400.409 -0.658 50 20 HBGD COc1ccc(OCC(=O)NNC(=O)N[C@H]2CCN(CCN3CCOCC3)C2)cc1 734684929 BVBFJGYHPHQRCT-INIZCTEOSA-N 421.498 -0.189 50 20 HBGD COc1ccc(NCC(=O)NNC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cc1 743298534 YBEYDOHWEHUBID-DTTOXWODSA-N 416.434 -0.193 50 20 HBGD CC(C)NC(=O)C(=O)NNC(=O)C[C@H](C)NS(=O)(=O)c1cccnc1Cl 760305368 PWMLOFGFNXKJFP-VIFPVBQESA-N 405.864 -0.536 50 20 HBGD C=CCNS(=O)(=O)c1cccc(C(=O)NNC(=O)CNC(=O)c2cccnc2)c1 763826925 QSWCXTROFOMQJQ-UHFFFAOYSA-N 417.447 -0.263 50 20 HBGD COc1cc(Br)cc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)c1 764424974 LMPZZJRKSAPIKQ-NSHDSACASA-N 402.201 -0.041 50 20 HBGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccc(OCC(F)(F)C(F)F)nc1 764431634 DUIHIPBIOXPRFE-VIFPVBQESA-N 424.307 -0.138 50 20 HBGD CCOC(=O)c1cc(F)cc(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1 778559647 BIVPAFQFJUTVJM-NSHDSACASA-N 423.444 -0.318 50 20 HBGD COC(=O)c1cc(Br)cc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 812500476 XUQSQMKASXAXRF-SSDOTTSWSA-N 422.257 -0.066 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CCn3cnccc3=O)cc2)CC1 815854571 IBSOJAUELNHPHP-UHFFFAOYSA-N 420.495 -0.287 50 20 HBGD CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919885639 MDOVXOHEHWTCDC-VXGBXAGGSA-N 410.518 -0.902 50 20 HBGD Cc1cccc(N2N=C(C(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)CCC2=O)c1 1115886745 FCSKCKQVYAXSFR-GFCCVEGCSA-N 407.452 -0.005 50 20 HBGD CN(C)Cc1cc(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)no1 1323848235 WRDKYCRNUUFYKQ-UHFFFAOYSA-N 423.499 -0.176 50 20 HBGD CCNC(=O)N[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2 1779315391 MKZXWTWQNZFQAV-UYAYXHRUSA-N 418.922 -0.192 50 20 HBGD CC(=O)C[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1783823754 HCDIRVOFEPMTJG-JLTOFOAXSA-N 402.256 -0.575 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(Cl)nn1)CCO2 1783934502 HTJMBSTYNIXAHP-GOSISDBHSA-N 424.889 -0.054 50 20 HBGD O=C(O)c1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)CCl)C[C@@H]32)ncn1 1785640088 VWSXBRWAZKWAAS-ZNIXKSQXSA-N 412.830 -0.632 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCCC3)C[C@@H]21)c1ccc(B(O)O)cc1 1786978810 YHCAYZGBZIICBD-WDSOQIARSA-N 415.299 -0.945 50 20 HBGD C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1791261900 JYCMQYYKSGNWDB-PKIAMQTDSA-N 407.496 -0.403 50 20 HBGD O=C(CCBr)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)N1CCOCC1)C2 1795115581 ASASPZQOXDNCLT-AYRXBEOTSA-N 420.304 -0.988 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1cnn2cccnc12 1796189035 OLLARSUFCPFHRO-BJWYYQGGSA-N 419.250 -0.025 50 20 HBGD O=C(Cc1ccncc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1799108552 PXEGRWCLTRHRSW-XEMDLRDOSA-N 409.251 -0.793 50 20 HBGD Cc1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)cnn1C 1801009381 CPVACZJPFSVWNY-ZSBFGKGUSA-N 406.487 -0.695 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)c1ccccn1)C2 1801013413 UHMMIMMICIMYEO-FTUNRGFVSA-N 418.498 -0.956 50 20 HBGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1831640944 TUBKKKDXEWKEIG-IIYDPXPESA-N 403.863 -0.041 50 20 HBGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCNC3=N)C2)C1 1831645406 CYTHPKLCONFOJN-KDOFPFPSSA-N 415.922 -0.310 50 20 HBGD Cc1ccn(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)n1 1833080535 BFEFVFBUIUNQHY-RHSMWYFYSA-N 400.863 -0.752 50 20 HBGD CS(=O)(=O)CC(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1834568788 JTJQFUQFZZKFPO-AWEZNQCLSA-N 409.936 -0.798 50 20 HBGD O=C(c1ccc(Cl)nn1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837832887 LFFGRJNOGKJACW-WBMJQRKESA-N 419.265 -0.200 50 20 HBGD C[C@H](CC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1839199009 QDDCKDYLEPFHKB-HCKVZZMMSA-N 424.267 -0.355 50 20 HBGD CC(=O)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1839884971 SLFTXJABFAXHOI-SFHVURJKSA-N 415.563 -0.180 50 20 HBGD O=C(/C=N/O[C@@H]1CCCCO1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014290 UQGSSHWNCCFDHZ-FNLSEGDXSA-N 415.255 -0.288 50 20 HBGD C[Si](C)(C)OCC(=O)N1CC2(CCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)C1 1843234902 DLZOYPUHLSTHDY-UHFFFAOYSA-N 405.491 -0.519 50 20 HBGD CC[C@@H](NC(N)=O)C(=O)N1CCCC12CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1843336383 HZZLMLNROWFANI-GHONEHJGSA-N 417.470 -0.229 50 20 HBGD COc1ccc(S(N)(=O)=O)cc1C(=O)NNC(=O)CNC(=O)c1cccs1 725740116 BEDSGPIRIUEZLP-UHFFFAOYSA-N 412.449 -0.405 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(Br)c(F)c1 743257329 JZEOZKMNHBHRPD-LURJTMIESA-N 418.266 -0.165 50 20 HBGD NC(=O)c1ccc(/C=C\C(=O)N2CCC[C@@H]2C(=O)NNC(=O)[C@H]2COCCO2)cc1 744648901 RAUCJKBDNITEHU-BJYXUANLSA-N 416.434 -0.648 50 20 HBGD NS(=O)(=O)c1cccc(N2C[C@H](C(=O)NNC(=O)NCc3ccco3)CC2=O)c1 746167100 OKADXFBYVIBVOP-LLVKDONJSA-N 421.435 -0.190 50 20 HBGD CN1CCN([C@@H](CNC(=O)NNC(=O)C(=O)N2CCCC2)c2cccs2)CC1 748447371 QGPGXHVKWWCBKL-AWEZNQCLSA-N 408.528 -0.011 50 20 HBGD CC(C)CNS(=O)(=O)c1ccc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1 758034517 GPAAPECLINQGCY-NSHDSACASA-N 420.513 -0.680 50 20 HBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)n[nH]1 763118445 DOIBDJHIFPQIRV-YNEHKIRRSA-N 411.484 -0.411 50 20 HBGD CS(=O)(=O)N1CCN(CC(=O)NNC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)CC1 763174678 XNFHEUBBSDPKFP-UHFFFAOYSA-N 424.458 -0.446 50 20 HBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(CC(=O)N2CCN(CC)CC2)cc1 764317244 HANIGOMJUREPMT-UHFFFAOYSA-N 419.482 -0.484 50 20 HBGD CSCCNC(=S)NNC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 770246152 JQIHBXPPOXDVNZ-CYBMUJFWSA-N 403.574 -0.442 50 20 HBGD O=C(COC(=O)c1ccccc1-n1cnnn1)NNC(=O)[C@H]1COc2ccccc2O1 777135041 YFIBPHWHMWZKOG-MRXNPFEDSA-N 424.373 -0.194 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1C[C@@]12CCN(C(=O)OC(C)(C)C)C2 781920614 PCJULARRQJJIPZ-LYOVBCGYSA-N 404.489 -0.281 50 20 HBGD Cc1ccn(C[C@](C)(O)C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)c(=O)c1 790535492 JUMQFGFYOSGNPZ-SFHVURJKSA-N 407.448 -0.228 50 20 HBGD CN(CCC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C1CCCCC1 791141181 SGYCLTVLNLOFKG-UHFFFAOYSA-N 419.486 -0.764 50 20 HBGD CCOC(=O)Cc1cccc(S(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 795290364 LQODPWZMMNNGMP-GFCCVEGCSA-N 404.466 -0.464 50 20 HBGD O=C(CC[C@@H]1NC(=O)NC1=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 913392097 XDBIDSUWUPLNRQ-HNNXBMFYSA-N 402.455 -0.666 50 20 HBGD C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)n1ccnn1 1782762155 DXTITBBPFDWLPN-KSSFIOAISA-N 407.475 -0.958 50 20 HBGD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCBr)[C@H]2C1)n1cnnn1 1786407836 XLCKBFZEVUFVPJ-CYDGBPFRSA-N 415.292 -0.001 50 20 HBGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCNC3=N)C[C@@H]21 1791058091 OVKPISPLQTVDMA-CYDGBPFRSA-N 416.320 -0.411 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cncnc3)C[C@@H]21 1791288791 VFNQKBOARFZIGX-BPUTZDHNSA-N 404.471 -0.557 50 20 HBGD COC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)C1 1792975000 HQHJVKHIAKITCG-DEPYFDJDSA-N 402.875 -0.235 50 20 HBGD Cc1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)cn2[nH]cnc(=O)c12 1792981318 UJLLULULFOHBNF-ZMJPVWNMSA-N 423.857 -0.866 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC(F)(F)F)C2)c1ccc(B(O)O)cc1 1795734837 XQAFLVBVGVRHHZ-JJLQDPRZSA-N 400.162 -0.478 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccns1)C2)c1cccc(B(O)O)c1 1795737210 DQOYEZVDVWLWIX-YWVIFJGQSA-N 401.253 -0.660 50 20 HBGD CC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc(C)c(O)nc1=O)C2 1799271491 QRSYBYPLKVPRHE-XFMPKHEZSA-N 412.874 -0.136 50 20 HBGD CCNC(=S)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)Br 1800761876 IBOQVGPRKMZBAW-KQXIARHKSA-N 421.361 -0.157 50 20 HBGD O=C(CN(CCO)CCO)N1CCC([C@H]2CCCCN2C(=O)[C@H](O)CCl)CC1 1824185817 LFVGXJBFIRLRAJ-IAGOWNOFSA-N 419.950 -0.508 50 20 HBGD CN1CC(C(=O)N[C@H]2CCc3nc(NC(=O)CCC(=O)NN(C)C)sc3C2)C1 1826091730 AGVZEPDSZAZWLS-LBPRGKRZSA-N 408.528 -0.010 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)Cn2cnnn2)CC1 1827198561 BJAXJTFWJQNKOI-MRXNPFEDSA-N 420.518 -0.334 50 20 HBGD O=C(NC1CCN(C2CCN(C(=O)[C@H](O)N3CCOCC3)CC2)CC1)[C@H](F)Cl 1835084332 YJFKKKCWRPGOTE-YJBOKZPZSA-N 420.913 -0.257 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CSC(=N)N)CCO2)C1 1835516820 VQFUIFWPODAQIR-NHYWBVRUSA-N 408.908 -0.677 50 20 HBGD O=C(c1nc[nH]n1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1836350472 CRHQZLBAUSBAIZ-RNCFNFMXSA-N 406.212 -0.435 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(C)C(=O)C(=O)O)CCO2)C1 1839703932 NZHSESMFYAERLQ-SJKOYZFVSA-N 419.862 -0.997 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840030802 WXHHCLWXHSNCEY-MISXGVKJSA-N 413.696 -0.174 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cncnc3)C2)C1 1840151211 XTMOEBLOSUSKSL-CRAIPNDOSA-N 412.874 -0.271 50 20 HBGD Cc1ncoc1C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840183554 LXKPLOOYLZBLIH-IBGZPJMESA-N 423.470 -0.574 50 20 HBGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1)n1cnnn1 1840480558 WQAZFWALTBEUMZ-QMTHXVAHSA-N 407.258 -0.506 50 20 HBGD CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCCC12CN(C(=O)[C@H](O)CCl)C2 1841297644 BINZIVZVIRVTFQ-VXGBXAGGSA-N 405.879 -0.325 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1sccc1Br 728509813 OPLSRWYTNOYNET-YFKPBYRVSA-N 406.305 -0.242 50 20 HBGD CC(C)(C)OC(=O)NCCOCC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 732550372 PBRZANNOQGLSET-UHFFFAOYSA-N 405.415 -0.035 50 20 HBGD O=C(NNC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)[C@H]1COCCO1 745998999 QBBRFIDAWWCCBG-CQSZACIVSA-N 407.383 -0.491 50 20 HBGD C[C@@H](C(=O)NNC(=O)Cc1cn2ccccc2n1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 746548012 BSVXVXIWNBQJGJ-GAYZEQNSSA-N 411.418 -0.425 50 20 HBGD Cn1cc(N2CCN(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)CC2=O)cn1 750265260 BDFGTNDMINHMSK-UHFFFAOYSA-N 410.398 -0.901 50 20 HBGD CS(=O)(=O)N1CCC[C@@H]1CNC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 752996539 DYWONUQTRXYRAJ-CYBMUJFWSA-N 408.444 -0.970 50 20 HBGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cnn(CC(=O)N(C)C)c2)cc1C 763666502 GZUZXROYNCZSPK-UHFFFAOYSA-N 416.438 -0.247 50 20 HBGD COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cc2ccsc2)cc1 764035288 RBSCJRCAXDGFIL-UHFFFAOYSA-N 418.431 -0.021 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cnc(-c2ccccc2)s1 764229796 CEDZFXFRVFNONQ-SECBINFHSA-N 411.465 -0.166 50 20 HBGD C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)CNC(=O)c1cccnc1 764344417 CCVKBXBABBHBMQ-NSHDSACASA-N 423.426 -0.535 50 20 HBGD CC(C)n1nnnc1-c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)cc1F 764423957 DXRDVHJZJYCXKJ-CYBMUJFWSA-N 421.389 -0.439 50 20 HBGD O=C(NNS(=O)(=O)c1ccc(C(=O)O)cc1Cl)N[C@H]1CCS(=O)(=O)C1 768498077 GSWISRYOZCIHGD-QMMMGPOBSA-N 411.845 -0.282 50 20 HBGD Cc1c(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)nnn1Cc1ccccc1F 801806494 JUEIMIQJWJRMPX-SECBINFHSA-N 413.435 -0.136 50 20 HBGD Cn1[nH]cc2c(=NC(=O)C(=O)NNC(=O)CSc3ccccc3O)ccnc1-2 806979997 IDCLEBHYSBDQRK-UHFFFAOYSA-N 400.420 -0.074 50 20 HBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CNS(=O)(=O)c1c(F)cccc1F 810943868 FJONCARNOGEQKG-UHFFFAOYSA-N 422.410 -0.085 50 20 HBGD CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1CC[C@H](B(O)O)C1)n2C 1351730306 WALMNZIPSJJYEI-LBPRGKRZSA-N 408.289 -0.169 50 20 HBGD CC[C@H](Br)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCO2 1783350726 APKIDQRHPUYAPH-WFGGJUAMSA-N 404.305 -0.287 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCCSC3)C2)C1 1785472532 GDQQALRQCRCQJA-OXJNMPFZSA-N 418.324 -0.047 50 20 HBGD Cn1cccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984657 VOEHTNKRZJYATA-IEZWGBDMSA-N 411.267 -0.388 50 20 HBGD CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Cl)[C@H]2C1 1787443129 AEHGAMVCLUNWHE-PJSNJIKXSA-N 413.899 -0.172 50 20 HBGD CCNC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1788563030 UCNLSQCJEBOPBQ-YHQUGGNUSA-N 404.895 -0.727 50 20 HBGD CC(C)O[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1788697584 SVRDRYDJQZSWPI-XIVBQZFQSA-N 418.299 -0.227 50 20 HBGD O=C(CNC(=O)C(F)(F)F)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1791311354 DSLGJKWRYHILBB-MMWGEVLESA-N 415.796 -0.756 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CS(C)(=O)=O 1795789224 PRGQHTXQRREZLJ-ZMMBSZHUSA-N 423.495 -0.197 50 20 HBGD CN1CCN(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCC(=O)NN(C)C)C3)CC1 1797839785 OKIOOOYRDBEUMH-BJWYYQGGSA-N 408.547 -0.755 50 20 HBGD Cn1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnccc2C(=O)NN)n1 1798439177 LZJPUWWSPXSXGO-QDMKHBRRSA-N 411.466 -0.087 50 20 HBGD C[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN)n1cnnn1 1798443648 RXSHFWDJCJUXJQ-RVMXOQNASA-N 413.442 -0.815 50 20 HBGD CCc1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)co1 1801011950 XYRSBDDSKFHJDO-IVWMJMPLSA-N 407.471 -0.187 50 20 HBGD O=C(NC[C@H]1CCN(C(=O)[C@@H]2C=CCN2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807377175 ZAKKOOWHLBCHIL-HOJAQTOUSA-N 420.278 -0.391 50 20 HBGD O=C(CN1C(=O)C=CC1=O)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@H]1c1cccnc1 1813174190 BBGPSFVXSCRPTN-IYOUNJFTSA-N 420.853 -0.388 50 20 HBGD O=C(O)C#CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1822201024 SWQGGCPZJFRCMP-OAHLLOKOSA-N 410.195 -0.517 50 20 HBGD N=C(N)NCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1826826847 QJJWFJKSCNKTAG-KRWDZBQOSA-N 415.303 -0.917 50 20 HBGD CC(=O)N/C(C)=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830736008 PMGUROUSJNTPSV-OPUYPNNVSA-N 403.863 -0.918 50 20 HBGD O=C(Cn1ccncc1=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1839664189 MFNRKLOOAZCWIN-HOCLYGCPSA-N 402.810 -0.766 50 20 HBGD COC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C2 1846362937 FZXWEHVDHIXBBP-UONOGXRCSA-N 404.847 -0.062 50 20 HBGD CC[C@H](Br)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CC(=O)NC1=O 1848070624 LCCCMWNLFPXBEA-DCAQKATOSA-N 401.261 -0.087 50 20 HBGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)[C@@H](CO)NC(=O)c2ccccc2)c1 744827137 FRUAGDNSPQQTRF-MRXNPFEDSA-N 410.386 -0.347 50 20 HBGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 746385672 IRMMYNWCTNSORS-GJZGRUSLSA-N 422.457 -0.079 50 20 HBGD O=C(NNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)C(=O)N1CCCC1 748343074 JWXMVPATBVSGDG-AWEZNQCLSA-N 424.479 -0.473 50 20 HBGD O=C(CNS(=O)(=O)c1ccc(Cl)s1)NNC(=O)[C@H]1CCS(=O)(=O)C1 749837939 HWCVGGGCYIPBBH-ZETCQYMHSA-N 415.902 -0.738 50 20 HBGD CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)NNC(=O)[C@H]2COCCO2)cc1 756788647 BBWDWCAWSZHFOG-BXUZGUMPSA-N 408.411 -0.064 50 20 HBGD CCS(=O)(=O)c1ccc(CCC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1 758038421 FEUNUIUCZUAPLA-LLVKDONJSA-N 405.498 -0.502 50 20 HBGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 760440227 SXBPEJKOJJVCIC-LWWSYDQCSA-N 406.439 -0.144 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1OCC(F)F 764229485 AKDMWEVCEDUWDA-VIFPVBQESA-N 422.410 -0.337 50 20 HBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 770607129 SANUCXTTXNAPQH-VHSXEESVSA-N 401.391 -0.100 50 20 HBGD CN(CC(=O)NNc1nc(O)c2cnn(C)c2n1)C1=NS(=O)(=O)c2ccccc21 770983054 KVNAUEYRURMCAW-UHFFFAOYSA-N 416.423 -0.407 50 20 HBGD CC(C)(C)OC(=O)N1CC(OCCC(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 776974209 WDXRCWPIYWARJZ-LLVKDONJSA-N 420.488 -0.470 50 20 HBGD COCCCNC(=O)NNC(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](C)O 779503135 INMQATMUFOOPMN-GXTWGEPZSA-N 402.473 -0.610 50 20 HBGD C#CCOc1ccc(F)cc1NC(=O)C(=O)NNC(=O)CNC(=O)c1ccco1 784002039 JXQFMQBNZHIGDO-UHFFFAOYSA-N 402.338 -0.053 50 20 HBGD O=C(CCCS(=O)(=O)N1CCCC1)NNC(=O)c1ccc(-n2cnnn2)cc1 917926638 ZPZYOJWQXNKSLE-UHFFFAOYSA-N 407.456 -0.371 50 20 HBGD O=C(CN1CCCC1=O)NNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 920433973 OATADEFZBIUGKQ-AWEZNQCLSA-N 424.479 -0.473 50 20 HBGD CSC[C@H](C(=O)NNC(=O)CN1CCCC1=O)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 920827427 TYOOIAHPCMBHES-JHJVBQTASA-N 410.496 -0.337 50 20 HBGD C[C@](O)(CC(=O)O)CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2 1782202036 JLGPNBDUZOTYPN-XHSVMWQWSA-N 420.890 -0.284 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3cc(=O)n4[nH]cnc4n3)CCO2)C1 1783875543 OFUBYZUUAXJPDD-APPDUMDISA-N 424.845 -0.885 50 20 HBGD Cc1nccn1[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1784638147 BIDSGDBNFNAKNA-YWZLYKJASA-N 420.514 -0.045 50 20 HBGD CC[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=N)N)C[C@@H]21 1790961580 ODZPTXBVLZNMFZ-BJDJZHNGSA-N 404.309 -0.377 50 20 HBGD Cc1ncccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1794679975 UICBBHMTIHDBEG-CCWDJLKJSA-N 403.483 -0.034 50 20 HBGD O=C(CC(F)(F)C(=O)O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796190978 LBWHRJDVLFWUID-BTTYYORXSA-N 410.182 -0.272 50 20 HBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Cl 1796366212 JYGRMUSZEJRPNN-NDKCEZKHSA-N 408.810 -0.395 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc(O)nc1O)c1ccc(B(O)O)cc1 1796785574 FCOWVSBSUAWAFA-BTTYYORXSA-N 412.211 -0.867 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCC2(CCCN(C(=O)[C@H](O)CCl)C2)CC1 1805518220 CNFRMIVKRMKHHG-MRXNPFEDSA-N 408.691 -0.189 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H](O)CN2)CC1 1830204151 RCSVMPRHIWEQLX-BZSNNMDCSA-N 423.558 -0.298 50 20 HBGD CC(C)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CS(C)(=O)=O)C2)C1 1830359163 MBGRMQTWEVBRRE-MRXNPFEDSA-N 410.920 -0.248 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccncc1)CCO2 1834020999 IFILIQZQHHOVCY-HXUWFJFHSA-N 419.482 -0.475 50 20 HBGD Cc1c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cnn1C 1834420716 RCFWXJZIMKYYKR-WMLDXEAASA-N 400.863 -0.602 50 20 HBGD CC/C=C(\C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840629744 IYAFQRQJJINUAT-CWFRJLDNSA-N 416.283 -0.207 50 20 HBGD O=C(c1nc(O)n2c1CCCC2)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014131 AZDJUGAUNYKEQQ-UHFFFAOYSA-N 424.266 -0.264 50 20 HBGD CC(C)NS(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 16786051 KEQCSMUQFJETKL-LBPRGKRZSA-N 403.482 -0.431 50 20 HBGD Cc1ccc(C)c(OCC(=O)NNC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)c1 17202920 LJVCJUMTKOZCGG-UHFFFAOYSA-N 414.422 -0.723 50 20 HBGD Cc1cccc(N2CCN(S(=O)(=O)CC(=O)NNC(=O)c3c[nH]nc3C)CC2)c1 732084395 DTKNJPGKVKLNOY-UHFFFAOYSA-N 420.495 -0.060 50 20 HBGD CCC1(CC)NC(=O)N(CC(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)C1=O 744455888 PRUGHIYHLCXICX-UHFFFAOYSA-N 415.406 -0.027 50 20 HBGD CON(C)S(=O)(=O)c1ccc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 755533060 GWFPDVMSNCZDQE-SNVBAGLBSA-N 420.469 -0.544 50 20 HBGD Cc1ccc(NCC(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)c(C)c1 755682460 NZZCMCCZJHUFGI-ZDUSSCGKSA-N 408.484 -0.037 50 20 HBGD O=C(NNC(=O)C1CC1)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 763560910 DFRADJLLQYZPIF-HNNXBMFYSA-N 402.407 -0.803 50 20 HBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccnn1Cc1cnn(-c2ccccc2)c1 764204571 PMHVKSSGVPJJAX-UHFFFAOYSA-N 410.438 -0.235 50 20 HBGD COC(=O)CSCc1cccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)c1 764425021 MNOMMIVIWDMEFA-CYBMUJFWSA-N 411.436 -0.406 50 20 HBGD COC(=O)CCSc1cccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)c1 764427253 YNYIIEROLNVPLB-CYBMUJFWSA-N 411.436 -0.157 50 20 HBGD CCN=c1nc(NCC)n2c(SCC(=O)NNC(=O)c3cc(C)[nH]n3)n[nH]c2n1 768276705 MDZCIRQFMUHUOR-UHFFFAOYSA-N 419.475 -0.610 50 20 HBGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O 774010500 XPBYVKVDMQWCFI-IUCAKERBSA-N 406.848 -0.952 50 20 HBGD COC(=O)[C@H](C)n1cccc1C=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 774587086 RPMUOPZEPURWHD-NSHDSACASA-N 415.410 -0.881 50 20 HBGD COC(=O)CCN1CCN(C(=O)NNC(=O)CNC(=O)c2cccs2)[C@H](C)C1 774703088 HHRIMDHPHXUIGY-GFCCVEGCSA-N 411.484 -0.212 50 20 HBGD CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])O1 775458789 AJGSKIYRLHHRQH-BXUZGUMPSA-N 409.399 -0.060 50 20 HBGD Cc1ccn(C[C@](C)(O)C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)c(=O)c1 791130930 WSXXXLKABRCJFX-SFHVURJKSA-N 411.459 -0.237 50 20 HBGD C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 792855102 OVDVMBCKUCVGGZ-TZMCWYRMSA-N 414.509 -0.283 50 20 HBGD Cc1cc(=O)n(C)cc1NC(=O)C(=O)NNC(=O)CNC(=O)OCc1ccccc1 797369331 SQHRZMXQBBYETJ-UHFFFAOYSA-N 415.406 -0.294 50 20 HBGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2cn(CC3(C)COC3)nn2)n1 1321060986 SNNQLKJRDGERCT-UHFFFAOYSA-N 408.440 -0.374 50 20 HBGD C[C@H](CBr)C(=O)N1CCO[C@@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1 1778933778 RJHLFQGNPNRGAY-MEBBXXQBSA-N 401.261 -0.277 50 20 HBGD C[C@]1(C(=O)N2CC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)CCCN1 1781144025 ZLSOTTBKWIIVBF-UXHICEINSA-N 416.482 -0.729 50 20 HBGD C[C@H](Br)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)n1cnnn1)CCO2 1783540371 VEDPCKMIAAQAGA-MJVIPROJSA-N 401.265 -0.153 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3cnc(O)nc3O)CCO2)C1 1783875108 JZRMCAYXGDLECY-MEDUHNTESA-N 400.819 -0.415 50 20 HBGD O=C(C1=COCCC1)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1784002098 MQVQDGDHASELGY-HXUWFJFHSA-N 400.240 -0.496 50 20 HBGD C[C@@]1(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)CC1(F)F 1785392726 NJLBMYZYGAHTNI-ROUUACIJSA-N 408.210 -0.145 50 20 HBGD Cc1cc[nH]c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786980152 OOYYNJLIWUEHMI-SZMVWBNQSA-N 411.267 -0.090 50 20 HBGD O=C(Cn1cncn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1787088339 JWJIPCYAGBBVOR-ZPFDUUQYSA-N 404.240 -0.052 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[C@H](O)c1ccccc1 1795385540 RDYAZTGBMPMOAX-PIKOESSRSA-N 424.262 -0.697 50 20 HBGD CNc1nsnc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796189774 YIYBAGLCXXPTNJ-BTTYYORXSA-N 415.284 -0.175 50 20 HBGD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)cc(O)n1 1796379845 RFWTXMGIDLBORK-CCWDJLKJSA-N 419.482 -0.328 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CC(=O)C1)C2 1796446456 XSQSCNLJTABQJR-KKBHZMJRSA-N 415.450 -0.311 50 20 HBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCN(C)CC1 1797238134 DGRSLOISBXZNNJ-IVSAIRAKSA-N 402.923 -0.923 50 20 HBGD Cc1c[nH]cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797750712 NSMVIZRRNRHKLP-FVCICTRLSA-N 412.450 -0.161 50 20 HBGD CC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCNC3=O)C2 1799265678 LPRSBZGKOVKERE-OXIQGZBJSA-N 409.874 -0.153 50 20 HBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCCS1(=O)=O 1800395496 ITARGLHARYTJRF-NDKCEZKHSA-N 408.904 -0.593 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccn1C)CCO2 1833913321 OQUNLKZORQFRQY-HXUWFJFHSA-N 421.498 -0.532 50 20 HBGD CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1834882315 KRGMTGWPBSRJKT-LJQANCHMSA-N 405.455 -0.445 50 20 HBGD O=C1CC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)=NN1 1839201206 ZGYYTEMUEUSBCS-BXUZGUMPSA-N 421.223 -0.991 50 20 HBGD C/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1839814545 UZVCNWJOOGRDHY-LSTKMXGYSA-N 403.439 -0.669 50 20 HBGD CCn1nc(C(=O)NNC(=O)c2cn(CC(=O)N(C)C)nn2)c2ccccc2c1=O 144053610 WXZSJMNCZUZOMY-UHFFFAOYSA-N 412.410 -0.829 50 20 HBGD C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)NNC(=O)CNC(=O)c2cccs2)CC1 728951592 MCZGDZXGKAZSPS-LBPRGKRZSA-N 422.511 -0.497 50 20 HBGD Cc1ncsc1C(=O)NNC(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21 729453957 ZQNSGOCIKBRRQX-UHFFFAOYSA-N 411.421 -0.532 50 20 HBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cnc(O)n(C)c2=O)c1 751558092 MEITUMAFSXMKTN-UHFFFAOYSA-N 423.451 -0.409 50 20 HBGD CCOC(=O)c1ccc(N2CC(NC(=O)NNC(=O)C(=O)N3CCCC3)C2)nc1 753280313 RWIIDBXDTZNKDM-UHFFFAOYSA-N 404.427 -0.600 50 20 HBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)Nc1ccc(N2CCCS2(=O)=O)cc1 755594622 RSUKJXPVTIKUHV-LLVKDONJSA-N 416.481 -0.186 50 20 HBGD COc1cc(OC)c2cc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)[nH]c2c1OC 758045593 DDQNEOYLFUJUSF-MRVPVSSYSA-N 414.440 -0.108 50 20 HBGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccc(OCC(F)(F)C(F)F)nc1 764431625 DUIHIPBIOXPRFE-SECBINFHSA-N 424.307 -0.138 50 20 HBGD CCOC(=O)NNC(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 765410395 XRVNMCDFBSMVIK-AWEZNQCLSA-N 406.395 -0.583 50 20 HBGD O=C(NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2)NNC(=O)C(=O)NC1CC1 776058048 XUEWADXXYDBKFT-HOTGVXAUSA-N 414.466 -0.806 50 20 HBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@H]1CCCCN1C(=O)c1ccc(O)nn1 778438031 PPEUJFBDZVBHCN-GFCCVEGCSA-N 422.442 -0.151 50 20 HBGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)cc1C 784002321 CKCMPTPKIUYPAR-UHFFFAOYSA-N 402.363 -0.109 50 20 HBGD CCNC(=O)N(C)NC(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O 785861458 YLXWWWKVXYUISG-UHFFFAOYSA-N 405.415 -0.123 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)cc1 801109538 RZLMHVGZRAESJD-UHFFFAOYSA-N 422.467 -0.509 50 20 HBGD Cc1nc(S(=O)(=O)NCC(=O)NNC(=O)Nc2ccc(N(C)C)cc2)cn1C 802125013 ZCPPCSCVMFACCG-UHFFFAOYSA-N 409.472 -0.074 50 20 HBGD CC1CCN(C(=O)C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)CC1 802543371 OOOBZHMKJGONHK-UHFFFAOYSA-N 424.527 -0.281 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CC[C@H]3NC(=O)NC3=O)cc2)CC1 1319369324 AFIQSZGZIYCDQR-CQSZACIVSA-N 424.483 -0.946 50 20 HBGD COC(=O)C(=O)NNC(=O)NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 1321116752 BQJHCBKCLOCQPI-ZDUSSCGKSA-N 410.402 -0.653 50 20 HBGD O=C(Cc1cn2ccccc2n1)NNC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 1339983683 OSJPCASKFFZKMB-INIZCTEOSA-N 400.420 -0.246 50 20 HBGD CN[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21)C(=O)O 1786896351 OACFOEFQDUXZPL-CYDGBPFRSA-N 420.304 -0.186 50 20 HBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NN(C)C(=O)CC1 1793787332 IXIPYQJRQGHHQS-NWJSVONSSA-N 400.863 -0.562 50 20 HBGD Cc1nn(C)cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830725063 DHNRIMGMBAGTDV-WMLDXEAASA-N 400.863 -0.602 50 20 HBGD CCCC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1 1830730616 BWMQAEPBVVBJQH-QWQRMKEZSA-N 419.906 -0.653 50 20 HBGD CCn1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)n1 1834401444 IIJNLZRBSLSSRM-YOEHRIQHSA-N 400.863 -0.427 50 20 HBGD CC1=C(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)CCO1 1836273418 BQXNXNUDSNXCSZ-FQEVSTJZSA-N 424.498 -0.490 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cncn3)C2)C1 1840032384 WZZYCXXFKXMKJJ-WFASDCNBSA-N 416.276 -0.482 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 1840032410 XZVXFFUHOHVZFD-OZVIIMIRSA-N 418.288 -0.495 50 20 HBGD CCOC(=O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012829 SVXPMGNHVPGDET-UHFFFAOYSA-N 402.256 -0.227 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)CN1CCCC1=O)C2 1844264030 WJVKGRJJFHGHQF-UHFFFAOYSA-N 400.439 -0.876 50 20 HBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)[C@@H]1CCCO1 27318625 BHYNFWSJVJAYNQ-INIZCTEOSA-N 411.480 -0.034 50 20 HBGD CCOC(=O)c1cc(S(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)ccc1F 728503710 XWHFAWJQAXEDGI-SECBINFHSA-N 408.429 -0.253 50 20 HBGD COc1ccc(Br)c(C(=O)NNC(=O)CNC(=O)CNC(C)=O)c1 728526399 USBCZRRNWKPYIY-UHFFFAOYSA-N 401.217 -0.529 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C1CCN(C(=O)CCc2ccccc2)CC1 729274740 BPGJIFZDKHTDFX-AWEZNQCLSA-N 424.523 -0.057 50 20 HBGD Cc1ccc(C(=O)NNC(=O)C(=O)NC(C)C)cc1S(=O)(=O)N1CCOCC1 744439752 IJFUPKULSFKJQD-UHFFFAOYSA-N 412.468 -0.698 50 20 HBGD CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)NNC(=O)CNC(=O)c2cccs2)C1=O 752011058 XOVPXDSRBIWYKL-QGHHPUGFSA-N 422.467 -0.471 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)Nc2ccc(C(N)=O)nc2)cc1 757700862 VKHFFPHMTXPKFA-UHFFFAOYSA-N 420.451 -0.038 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cccc2c1CCN2S(C)(=O)=O 758300981 RNYDYIOLNAVHMH-VIFPVBQESA-N 419.485 -0.901 50 20 HBGD COCC(=O)NNC(=O)C(=O)N1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21 764298998 AALCYWJSIZTGCQ-OAHLLOKOSA-N 404.423 -0.413 50 20 HBGD COCC(=O)NNC(=O)C(=O)Nc1c(C)cnn1Cc1ccc(OC)c(OC)c1 764301378 CFWNRZUCZGRTOZ-UHFFFAOYSA-N 405.411 -0.011 50 20 HBGD CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)C1 765070530 KUBLZHNOBYOILD-QWRGUYRKSA-N 406.461 -0.860 50 20 HBGD Cc1c(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cccc1[N+](=O)[O-] 765730489 LGAMORKSHGLKDY-UHFFFAOYSA-N 415.366 -0.888 50 20 HBGD CN(C)S(=O)(=O)c1cc(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)n(C)c1 778965656 FCJCTGAGYQPJAY-UHFFFAOYSA-N 403.461 -0.439 50 20 HBGD COCCCNC(=O)NNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 780472032 OQGPENLLZIDHJW-OCCSQVGLSA-N 418.447 -0.684 50 20 HBGD COC[C@@H](CNC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1)OC 781395335 XRWYTIYOGYVXQP-CYBMUJFWSA-N 402.473 -0.393 50 20 HBGD Cn1ccc(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)n1 782189385 SPYXRSGJHVOFKK-UHFFFAOYSA-N 407.452 -0.555 50 20 HBGD CC(C)=C[C@H]1[C@@H](C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1(C)C 920489224 JJRIQIGHIXGAPE-AAEUAGOBSA-N 402.455 -0.181 50 20 HBGD CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)O1 1337206886 WRXIEHPCXWDHOI-LSDHHAIUSA-N 419.486 -0.341 50 20 HBGD CCc1nc(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)co1 1779702868 QONYTISNNUQCOH-HXUWFJFHSA-N 413.239 -0.326 50 20 HBGD CCOC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)Br)C2)C1 1783534613 XEAFAQONYUGAOW-FIXISWKDSA-N 422.276 -0.336 50 20 HBGD Cc1nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)c(=O)[nH]c1C 1784086273 JFUWJJGBUMEQJP-XUXIUFHCSA-N 412.874 -0.420 50 20 HBGD O=C(O)c1cnncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796191983 XLNBWPYOEVZMIV-QDMKHBRRSA-N 424.222 -0.580 50 20 HBGD COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)nc1 1796730601 IAQZNPVJZXBVBW-HBCWATKFSA-N 419.482 -0.334 50 20 HBGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)N1CCOCC1)C2 1800759451 QMAOCNLWSXDJTQ-ZHZXCYKASA-N 420.304 -0.990 50 20 HBGD Cc1cccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)n1 1830720415 ZKSRLAHJJZPOAD-QFBILLFUSA-N 411.886 -0.011 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnco1)CCO2 1831944750 RMBRVWLNJMLYHM-GOSISDBHSA-N 409.443 -0.882 50 20 HBGD CC(C)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939755 GLVOHOBBEMKOGR-NRFANRHFSA-N 418.299 -0.127 50 20 HBGD CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NNC(=O)c2ccccn2)c1 17328822 GVPCRSPSLKFOEM-UHFFFAOYSA-N 407.452 -0.265 50 20 HBGD CCc1ccccc1OCC(=O)NNC(=O)CNS(=O)(=O)c1cn(C)c(C)n1 725878244 NQEFDSHWROZZAO-UHFFFAOYSA-N 409.468 -0.204 50 20 HBGD C[C@@]1(c2ccc(CNC(=O)NNC(=O)C(=O)N3CCCC3)cc2)NC(=O)NC1=O 726282132 JJQSMVPOBKLPDW-SFHVURJKSA-N 402.411 -0.806 50 20 HBGD Cn1[nH]c(Br)c2c(=NCCNC(=O)NNC(=O)c3ccc[nH]3)ncnc1-2 729627801 VMGHBAIFLJUFKI-UHFFFAOYSA-N 422.247 -0.117 50 20 HBGD COc1ccc(C(=O)NNC(=O)CNS(=O)(=O)c2cn(C)c(C)n2)c(OC)c1 729969403 TVLBWCFGWFHAKL-UHFFFAOYSA-N 411.440 -0.515 50 20 HBGD CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1 730077196 NQRYTAUUDBFUCZ-INIZCTEOSA-N 423.495 -0.303 50 20 HBGD CN(C)CCN1C[C@H](C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)CC1=O 746269561 CNFKSXNLIFCQKW-GFCCVEGCSA-N 400.480 -0.748 50 20 HBGD CCc1sc(C(=O)NNC(=O)CN2CCN(CCS(N)(=O)=O)CC2)cc1C 746487872 OLGVQNQPRJZGIX-UHFFFAOYSA-N 417.557 -0.714 50 20 HBGD CCn1c(=O)c2ccccc2n(CC(=O)NNC(=O)CNC(=O)c2ccco2)c1=O 751204642 KYUYECMYZRYMFU-UHFFFAOYSA-N 413.390 -0.647 50 20 HBGD C[C@H]1CN(CCC(=O)NNC(=O)c2ccc(CNS(C)(=O)=O)o2)C[C@H](C)O1 754013358 BLZVNIMDTUQLJG-RYUDHWBXSA-N 402.473 -0.411 50 20 HBGD Cc1cccc(O[C@H](C)C(=O)NNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)c1C 763841231 PBLXJWUZCRMRBX-ZYHUDNBSSA-N 400.457 -0.989 50 20 HBGD CN(C)c1ccc(Cl)cc1NC(=O)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 764002260 KYMWKXAHNDITJK-SECBINFHSA-N 402.860 -0.073 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1nc(-c2cccs2)cs1 764230666 JBTAVSBBHYWTOS-SSDOTTSWSA-N 417.494 -0.105 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc(C(F)(F)F)cc2)n(C)c1=O 765730473 KVLZPAQSQVTYBF-UHFFFAOYSA-N 424.339 -0.086 50 20 HBGD NC(=O)NCCCCC(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765737469 FRUSWOXCBPBLJR-UHFFFAOYSA-N 404.471 -0.570 50 20 HBGD CC[C@]1(C)Oc2ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc2O1 785991115 PKSDQJCUIZCCJT-JDNHERCYSA-N 414.440 -0.392 50 20 HBGD COC(=O)c1ccc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)[nH]1 796343595 DBLVRRLRIRPPPD-AWEZNQCLSA-N 403.347 -0.055 50 20 HBGD CN1C(=O)N(CC(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)C(=O)C12CCCCC2 919889934 XCIONAXPZOLVHN-NSHDSACASA-N 415.472 -0.899 50 20 HBGD Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)NNC(=O)CN1CCCC1=O 920436126 VXNDJFMWHHVDPU-UHFFFAOYSA-N 411.484 -0.417 50 20 HBGD O=C(NNc1ccc(-n2ccnc2)nn1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 1324423054 SJPFIIROQDHYHU-NWDGAFQWSA-N 405.440 -0.859 50 20 HBGD CCOC(=O)N[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)CO[Si](C)(C)C)C2)C1 1779296796 FVEOSSJYIWFCIV-PBHICJAKSA-N 417.535 -0.268 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)no3)C2)C1 1779677860 ODEMHMMNAQBNOW-SFHVURJKSA-N 416.394 -0.864 50 20 HBGD CN1CCC[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)C1 1783934443 HXCMKJJYDGWZEO-OXQOHEQNSA-N 409.531 -0.469 50 20 HBGD O=C(CCBr)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)CN3)C[C@@H]21 1786408904 KALPBNHLAWFNAK-PEDHHIEDSA-N 404.305 -0.526 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)C(C)C 1793075627 VCVGAEMGXKFVLM-XHPRPZMGSA-N 419.482 -0.273 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccsc1)C2)c1cccc(B(O)O)c1 1795737241 IZPLRJZSRZRTTK-SCAQPMJSSA-N 400.265 -0.055 50 20 HBGD CCc1ncccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795737328 SLPGTRLCCKIWJS-CWPLJXCYSA-N 423.278 -0.159 50 20 HBGD N=C(N)SCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796191305 XLNZOIGQXCRTPC-QDMKHBRRSA-N 404.301 -0.365 50 20 HBGD O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1797810235 MIFGLJIWWUWCEE-OPAMUIHESA-N 403.863 -0.295 50 20 HBGD CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798443211 XRTQEAATHBRESO-DEQVHRJGSA-N 402.455 -0.539 50 20 HBGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCS(C)(=O)=O)C2 1800762846 GXGICEWFBOVXDT-KQXIARHKSA-N 411.318 -0.206 50 20 HBGD CN(C)C(=O)NCC(=O)N1CC[C@H](CNC(=O)[C@@H](O)CCl)[C@H]1c1cccnc1 1803137055 HSDKFLGVJDAEOB-IJEWVQPXSA-N 411.890 -0.042 50 20 HBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)[C@@H]1C=CCN1 1817983012 TZMWMASBSGHJNU-RDJZCZTQSA-N 409.255 -0.077 50 20 HBGD O=C(NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1)c1cc(O)ncn1 1833553657 SJHSUSXAMHGPLR-OAHLLOKOSA-N 411.890 -0.033 50 20 HBGD CCc1oncc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1834514422 ZTQXIKGXIZTDSS-CXAGYDPISA-N 401.847 -0.093 50 20 HBGD O=C(CCN1CCOCC1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1835444389 ZDENXTVSJVMNAH-RDJZCZTQSA-N 407.870 -0.301 50 20 HBGD O=C(Cn1cnnn1)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836716573 CKQIAQWERTVRSF-CQSZACIVSA-N 400.867 -0.729 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@]1(C)CCCN1)CCO2 1839124084 CXSDYMQKVMFTFZ-ZTFGCOKTSA-N 403.907 -0.161 50 20 HBGD N=C(N)SCCC(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844263963 OYKPCNSATKDISR-UHFFFAOYSA-N 405.484 -0.481 50 20 HBGD COc1ccc([C@H](O)C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2ccc(B(O)O)cc2)cc1 1847394909 HXAOZFDOWSVVNA-UFYCRDLUSA-N 424.262 -0.076 50 20 HBGD COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CCN(CC(=O)N(C)C)CC1 29064442 FBOVBRNORFJNSN-UHFFFAOYSA-N 411.890 -0.185 50 20 HBGD COc1ccc(CN2C[C@H](C(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2=O)cc1 726527237 AAPCJBIROGXCMN-ZIAGYGMSSA-N 424.479 -0.439 50 20 HBGD COCCCNC(=O)[C@H](C)N1CCN(CC(=O)NNC(=O)c2ccc(C)cc2)CC1 728932223 LNZYTCYCBOJCOR-KRWDZBQOSA-N 419.526 -0.085 50 20 HBGD O=C(CN1CC(=O)NC1=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 732259100 ZZKZAVXMQCGTDL-UHFFFAOYSA-N 423.451 -0.826 50 20 HBGD O=C(CN1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1)NNC(=O)C1CC1 738299794 QNAUCIKSCQOXHN-UHFFFAOYSA-N 402.423 -0.172 50 20 HBGD CC(=O)N1CCc2cc(S(=O)(=O)NNC(=O)CNC(=O)c3ccco3)ccc21 751283142 UKZIECCHVTWTJT-UHFFFAOYSA-N 406.420 -0.072 50 20 HBGD COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)NNC(=O)C2CCCC2)cc1 764066124 HHGHZGPICZSJQV-UHFFFAOYSA-N 404.423 -0.206 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)NCCc2ccc(F)cc2)n(C)c1=O 765313956 XUIBWZDBIBKJAW-UHFFFAOYSA-N 417.401 -0.854 50 20 HBGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1 765749412 MSTQVKUXAFKEMK-KRWDZBQOSA-N 408.524 -0.305 50 20 HBGD Cc1ccn(CC(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c(=O)c1 773701034 DUXGQGDFLCDWMI-HNNXBMFYSA-N 401.375 -0.313 50 20 HBGD CCCCn1nc(C(=O)NNC(=O)C(=O)NCC(=O)N(C)C)c2ccccc2c1=O 782701280 BZEDLACTDRTQPV-UHFFFAOYSA-N 416.438 -0.838 50 20 HBGD COC(=O)c1ccc(NNC(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)nc1 793735359 LHEOWTBBANADEI-QGZVFWFLSA-N 405.411 -0.073 50 20 HBGD CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NNc2nccn(C)c2=O)cc1 810469153 IJYSDXJSYROHQK-UHFFFAOYSA-N 409.424 -0.621 50 20 HBGD COc1ccc(CNC(=O)NNC(=O)Cn2nc(C)cc2C)cc1S(N)(=O)=O 812431193 ASUWNZWLKOFGOF-UHFFFAOYSA-N 410.456 -0.313 50 20 HBGD CN(CC(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 812728534 OWNPTXVMBQIUHW-CYBMUJFWSA-N 404.514 -0.501 50 20 HBGD COC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)COc1ccc(C#N)cc1 815565106 CPXQGMKOCBLHQX-UHFFFAOYSA-N 400.351 -0.757 50 20 HBGD CSCC[C@H](NC(=O)c1ccco1)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1317732113 FBNPLJKEPWEFLK-QWRGUYRKSA-N 403.482 -0.287 50 20 HBGD O=C(CNC(=O)c1ccccc1C(F)(F)F)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1331973629 ZKSCOQMHASFXIZ-VIFPVBQESA-N 422.385 -0.047 50 20 HBGD O=C(/C=C\C(=O)NC1CC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2 1779225422 MCCRVLCKYPJVBT-UHXJKJJXSA-N 413.902 -0.065 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccnn3)C2)C1 1779462640 MUVHKHPZMFNZDU-LJQANCHMSA-N 411.422 -0.768 50 20 HBGD CN1CCC[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)C1 1781005336 JNNWTHKJBJLYGD-OXQOHEQNSA-N 409.531 -0.469 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3cccnc3C(N)=O)CCO2)C1 1783874143 ZDXYLXHZASIITG-SCLBCKFNSA-N 410.858 -0.122 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C[C@@H]21)[C@@H](O)CCl 1784090944 RNCVJCGPUNGJPP-NAKRPEOUSA-N 401.807 -0.489 50 20 HBGD CC(C)(C#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1792631845 BIRBFYUVLHBZQI-JJLQDPRZSA-N 400.439 -0.562 50 20 HBGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(O)O 1792800467 JYCRMCZJOOXVBR-WKTFTJJHSA-N 407.373 -0.228 50 20 HBGD CC[C@@H](NC(N)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1796758197 ODCCIEWTVBXKBU-QKPAOTATSA-N 402.260 -0.935 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CNC(=N)N)CC1 1826832759 UVTITVHVIFZZAV-HNNXBMFYSA-N 409.535 -0.538 50 20 HBGD CC(C)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1830365967 JXNGXOWMODAAJB-ACJLOTCBSA-N 401.891 -0.156 50 20 HBGD CC[C@H](C)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1831050588 IDQCQXUPFHEPBF-HRAATJIYSA-N 418.299 -0.127 50 20 HBGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1831654150 ISJVUGAOVZRAJH-JTOWHCCKSA-N 403.907 -0.427 50 20 HBGD O=C1NC[C@@H](C(=O)NC2CCN(C3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)O1 1833511283 DHCHLXKYXKCKRF-KBPBESRZSA-N 402.879 -0.734 50 20 HBGD Cc1nnc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)s1 1836074893 FWZVFVPJOAHFIB-BLLLJJGKSA-N 418.903 -0.555 50 20 HBGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncnn3C)C2)C1 1840031257 JYWWRKMTTMXEJS-ABAIWWIYSA-N 416.276 -0.332 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)n(C)n3)C2)C1 1840150037 FBSABRBCTREWHT-SJKOYZFVSA-N 416.862 -0.551 50 20 HBGD CC(=O)N[C@@H](C)C(=O)N1CC2(CCCN2C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C1 1843416794 BGOXXNWDXLQRNK-GLXUHCQUSA-N 402.455 -0.152 50 20 HBGD O=C(CNC(=O)c1cccs1)NNC(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O 732572358 CIRGFOQIGJFVSU-MRVPVSSYSA-N 407.374 -0.029 50 20 HBGD NC(=O)CNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cccc(Cl)c2)o1 746095332 OVKJSFWQJPKEBH-UHFFFAOYSA-N 400.800 -0.229 50 20 HBGD O=C(NNC(=O)N1CCOCC1)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 746519554 JULNYBQAYONJDQ-CQSZACIVSA-N 412.468 -0.170 50 20 HBGD O=C(NNC(=O)c1c[nH]nc1-c1ccc2c(c1)OCO2)N[C@H]1CCS(=O)(=O)C1 751462111 YKGMYZMENRBECL-JTQLQIEISA-N 407.408 -0.064 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 755141038 ZUZJTFXVGKTRRQ-GVARAGBVSA-N 415.406 -0.853 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CCC(=O)N(CCC#N)c1ccccc1 758049410 ZLJNXWUPMLKBSJ-ZDUSSCGKSA-N 409.468 -0.201 50 20 HBGD O=C(CSc1ccccc1O)NNC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 764045899 BYHPVWVNDFXRQC-WVATUKLVSA-N 405.432 -0.206 50 20 HBGD Cc1ccc2oc(C(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc2c1 765732730 WTQVEVKKDAUWOO-UHFFFAOYSA-N 410.390 -0.050 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cnc[nH]3)CC2)cc1 766636128 JZCZCMTVEJCEIU-UHFFFAOYSA-N 406.468 -0.514 50 20 HBGD O=C(O)c1cc(S(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc(Cl)c1F 767735188 FJOMIUPAPNBRSN-ZCFIWIBFSA-N 414.820 -0.079 50 20 HBGD CN(C)S(=O)(=O)c1cccc(CNC(=O)NN[C@]2(C)CCS(=O)(=O)C2)c1 782764588 XHLNELSNPFNFJR-OAHLLOKOSA-N 404.514 -0.182 50 20 HBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)N1CCOCC1)C2)C(Cl)Cl 1782218116 UTRSXNPYKJPAAU-ISTRZQFTSA-N 424.325 -0.045 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cnccn1 1785926938 GRTNNVUZJCXWTO-ZVZYQTTQSA-N 410.239 -0.937 50 20 HBGD CCNC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](Cl)COC)C[C@@H]21 1788565723 MVPBTYBVUAGKRS-FQKPHLNHSA-N 418.922 -0.073 50 20 HBGD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)cnc1C 1795732541 SFHJJGXJOSHYCO-OPVJXMOQSA-N 423.278 -0.105 50 20 HBGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@](C)(O)CC(=O)O 1801007886 HAVOEQQPFHTRLE-LGDVELKSSA-N 421.288 -0.025 50 20 HBGD O=C(c1cc(=O)n2[nH]cnc2n1)N1CCCC2(CCN(C(=O)[C@@H](O)CCl)CC2)C1 1809963390 NEAXVIIBIFXNJX-ZDUSSCGKSA-N 422.873 -0.138 50 20 HBGD O=C(c1cc2n(n1)CCC2)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731803 PUXRPMFZUAGLBX-MAUKXSAKSA-N 412.874 -0.501 50 20 HBGD NC(=O)c1ncccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1833309671 MJOPKUUGKFZYGU-DYVFJYSZSA-N 414.821 -0.215 50 20 HBGD N=C(N)SCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1835644062 QZDHRDJHMUAAEN-IAQYHMDHSA-N 408.908 -0.941 50 20 HBGD CC(C)(F)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835935880 VPYFCXMOVLZFNG-IBGZPJMESA-N 408.235 -0.816 50 20 HBGD O=C(c1cc2ncccn2n1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1836866249 BTECKPUUVPSFBH-RDTXWAMCSA-N 423.857 -0.601 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839155493 VJVGPMZRMNJZPS-HZPDHXFCSA-N 407.250 -0.233 50 20 HBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)COCCO)CCO2)C1 1839195413 RCGBXBHGUBMOJF-SWLSCSKDSA-N 409.277 -0.765 50 20 HBGD CCNC(=O)NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 65191458 MUKHZDSTPGVGSR-UHFFFAOYSA-N 416.456 -0.311 50 20 HBGD COc1ccc(NC(=S)NNC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cn1 743823602 SZAMRIOFGXOTMC-JYILRKAJSA-N 405.436 -0.430 50 20 HBGD CC(=O)[C@H]1CC(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)=NN1c1ccccc1 751362411 OTUZHRHRAXOJHF-IUODEOHRSA-N 407.452 -0.272 50 20 HBGD NC(=O)c1ccc(/C=C\C(=O)N2CCC[C@@H]2C(=O)NNC(=O)Cc2cc[nH]n2)cc1 755277206 POEYVKZWYPTYGU-KQQSKNTNSA-N 410.434 -0.097 50 20 HBGD C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758025495 MPCKMLOJBRNNGH-NXEZZACHSA-N 409.461 -0.679 50 20 HBGD COc1cc(C(C)=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)c(OC)cc1O 763150799 HWFQPKXFQYANNY-UHFFFAOYSA-N 423.451 -0.166 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(OCC(F)(F)F)nc1 777931212 QJSHEYNSYCJZFG-SSDOTTSWSA-N 420.391 -0.730 50 20 HBGD COC(=O)CNC(=O)NNS(=O)(=O)c1ccc(OC)c(C(=O)OC)c1OC 779846040 VFLWRFGNLZODRZ-UHFFFAOYSA-N 405.385 -0.844 50 20 HBGD C[C@H](CNC(=O)C(=O)NNc1ncc(C(F)(F)F)cc1Cl)S(N)(=O)=O 782853579 DZTQKOFXOLUBFK-RXMQYKEDSA-N 403.770 -0.010 50 20 HBGD C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NNC(=O)COc1ccccc1O 793460887 GTAQVAAUEPDDFE-GOSISDBHSA-N 420.422 -0.466 50 20 HBGD O=C(NC[C@@H]1CCCCS1(=O)=O)NNC(=O)C1CCN(c2ncccn2)CC1 1337640859 RYPBWZFHODVINC-AWEZNQCLSA-N 410.500 -0.009 50 20 HBGD C[C@@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1778854925 YNRNBXQZPUFGLF-BMIGLBTASA-N 415.292 -0.067 50 20 HBGD CN1CCC[C@H]1C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779029399 RLXWQEHVIANMIU-JXFKEZNVSA-N 416.482 -0.777 50 20 HBGD O=C([C@H](O)N1CCOCC1)N1CC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1779097974 UDEZUAYPEOZHSB-WHOFXGATSA-N 424.267 -0.843 50 20 HBGD CC[C@H](NC(N)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781331136 LNICPGMJBYEILO-PKFCDNJMSA-N 409.256 -0.046 50 20 HBGD CCC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)COC1 1791294000 XCSJLPILAZNIKN-JYJNAYRXSA-N 410.515 -0.234 50 20 HBGD Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)n1 1795737475 KOCGRAKDBWUMNC-HGKCTWBKSA-N 409.251 -0.413 50 20 HBGD CC(C)CNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796189273 SCBGMXNNCOCHKH-BJWYYQGGSA-N 401.272 -0.610 50 20 HBGD CC[C@@H](NC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CO[Si](C)(C)C 1797954729 CWTQMOKXPKVPOQ-QVHKTLOISA-N 400.552 -0.126 50 20 HBGD CS(=O)(=O)CC(=O)N1CC[C@H](CNC(=O)[C@@H](O)CCl)[C@H]1c1cccnc1 1803138636 LWRHJFBZVSMIFI-VNHYZAJKSA-N 403.888 -0.268 50 20 HBGD CS(=O)(=O)CC(=O)N1CCCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1 1809422712 JIPIBMORCRSXBM-UHFFFAOYSA-N 422.312 -0.744 50 20 HBGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CC[C@H](N)C(N)=O)CC2 1825999283 PRBGRPBRTDCHRM-UTLUCORTSA-N 417.919 -0.098 50 20 HBGD CC(C)n1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)n1 1830728888 YTACMECCDIAAPD-DYVFJYSZSA-N 415.878 -0.471 50 20 HBGD O=C(c1cnn2c1CCC2)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830736176 RUYNKSBDWDHPGF-QAPCUYQASA-N 412.874 -0.501 50 20 HBGD C[C@](O)(C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1)C(F)(F)F 1843010730 WRNOKDHUEQJIRK-HNNXBMFYSA-N 400.162 -0.503 50 20 HBGD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)c1ccccc1O 17576098 XETPDTDBXCFWIM-UHFFFAOYSA-N 408.436 -0.174 50 20 HBGD CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(CC(=O)NNC(=O)C2CC2)C1 733194711 JQROFUDQSOJKSA-CQSZACIVSA-N 411.503 -0.103 50 20 HBGD Cn1cccc1C(=O)NNC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 746103167 IGLIAEYSZXPXCB-LLVKDONJSA-N 405.436 -0.513 50 20 HBGD C[C@H]1CN(CCC(=O)NNC(=O)CCc2ccc(S(N)(=O)=O)cc2)C[C@H](C)O1 751424481 AFDZDCBOOIXDCZ-KBPBESRZSA-N 412.512 -0.087 50 20 HBGD COc1cc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)ccc1N1CCCC1=O 755595627 ZIOLSTGZEIPZNZ-JTQLQIEISA-N 413.456 -0.088 50 20 HBGD C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNC(=O)c1cc(Cl)ccc1O 755678853 XAMSARJIMKDENE-MRVPVSSYSA-N 401.832 -0.093 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(=O)n(Cc2ccccc2)c1 755960679 RHHGDPGHDZYNQY-LBPRGKRZSA-N 407.452 -0.013 50 20 HBGD CC1(Cn2cc(C(=O)OCC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)nn2)COC1 759761772 PIVPGCUUVCJCSS-UHFFFAOYSA-N 418.366 -0.159 50 20 HBGD Cc1ccc(CN2CCN(CC(=O)NNS(=O)(=O)c3ccn(C)n3)CC2)cc1 765128339 UJOAMDPGVDQQEY-UHFFFAOYSA-N 406.512 -0.144 50 20 HBGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)[C@@H]3CCCN3C(N)=O)CC2)cc1 766639477 APSMTZHGLVHIRU-KRWDZBQOSA-N 402.499 -0.197 50 20 HBGD CC(=O)Nc1cncc(C(=O)NNC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)c1 773074267 MIVBKVHCXUDLCK-RRCSTGOVSA-N 415.406 -0.647 50 20 HBGD COC(=O)CNC(=O)NNS(=O)(=O)c1cc(Br)cc(C(=O)OC)c1 779847283 XYFWCWJLKPAOPV-UHFFFAOYSA-N 424.229 -0.099 50 20 HBGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)CNS(=O)(=O)c1cn(C)cn1 817055309 WGMYEVFBHDNMOF-UHFFFAOYSA-N 416.485 -0.908 50 20 HBGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CC[C@H](B(O)O)C2)o1 864230608 BAXORQTYVJKHPB-NWDGAFQWSA-N 414.245 -0.315 50 20 HBGD O=C(COC(=O)[C@]12CCC(=O)N1CCS2)NNC(=O)c1ccc([N+](=O)[O-])cc1 916532302 HZEYYVXKQMIRAJ-MRXNPFEDSA-N 408.392 -0.036 50 20 HBGD COc1ccc(CCC(=O)NNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1 919836266 JHGIPTQTODMBNT-HUUCEWRRSA-N 423.491 -0.189 50 20 HBGD CCc1ccc(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1S(C)(=O)=O 1116422151 MHTQUDSTMKLSKV-GFCCVEGCSA-N 403.482 -0.216 50 20 HBGD CN1CCC[C@@H](C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)C1 1780996939 HVOUEPOCYNWXOZ-DYESRHJHSA-N 415.299 -0.848 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4ccncc34)C[C@@H]21)[C@@H](O)CCl 1784091761 ARDSHYFIFAKRPK-MZGVZZPPSA-N 407.858 -0.078 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCCCC3=O)C[C@@H]21)[C@@H](O)CCl 1784094454 OBNORUSVQNGHAB-AJNGGQMLSA-N 401.891 -0.422 50 20 HBGD CCO/C=C/C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788611206 OGUUAHQFXHYNHI-LWRBXEBFSA-N 417.466 -0.171 50 20 HBGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCNC3=N)C[C@@H]21 1791058094 OVKPISPLQTVDMA-VOAKCMCISA-N 416.320 -0.411 50 20 HBGD CC(=O)C[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1791216860 LUUWURVCSJMUNT-JXIYXGQPSA-N 416.283 -0.425 50 20 HBGD Cc1n[nH]c(C)c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830732394 XFGSNKLOOUXPIP-DYVFJYSZSA-N 400.863 -0.304 50 20 HBGD CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)CC1 1834622885 QUXUXKCPPGLEQZ-FQEVSTJZSA-N 402.256 -0.764 50 20 HBGD O=C(CC1CC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1835216128 BUUZGNXSRBAIKN-FQEVSTJZSA-N 402.256 -0.764 50 20 HBGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)N(C)C)CCO2)C1 1835426996 QJIHDYLOAQKGRF-BLLLJJGKSA-N 420.304 -0.438 50 20 HBGD O=C([C@@H]1C=CCN1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1836479921 QKVDANZKZODUEO-SLEUVZQESA-N 406.252 -0.339 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccncc3=O)C2)C1 1839148289 SVVQYQXELFNFKK-KDOFPFPSSA-N 412.874 -0.283 50 20 HBGD C=CC(=O)N[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844264663 VOFDDRPOWGMITC-LBPRGKRZSA-N 400.439 -0.807 50 20 HBGD COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)NNC(=O)C(=O)NC1CC1 9889191 PATDAWXVKYHMAV-ZDUSSCGKSA-N 408.480 -0.027 50 20 HBGD Cn1cc(N2CC[C@@H](NC(=O)NNC(=O)Cc3nc4ccccc4n3C)C2=O)cn1 735583881 JTVAQWIOVJJXNU-CQSZACIVSA-N 410.438 -0.015 50 20 HBGD CS(=O)(=O)[C@@H]1CCCC1=NNC(=O)C(=O)NN=C1CCC[C@H]1S(C)(=O)=O 741451016 AGUVHESBMNQHDH-VXGBXAGGSA-N 406.486 -0.875 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 746272337 RTMHMOBWPJBTKW-JTQLQIEISA-N 407.493 -0.346 50 20 HBGD CCNC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)Cn2nc(C)cc2C)c1 763893253 RRIKIFXMTSBJNG-UHFFFAOYSA-N 416.438 -0.199 50 20 HBGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c2cccnc12 764226226 GNYYFVMTTZMEPO-VIFPVBQESA-N 409.424 -0.733 50 20 HBGD Cc1nc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)sc1C 765312477 FZQYFYYLROGPJB-UHFFFAOYSA-N 406.428 -0.640 50 20 HBGD COc1ccc(-c2cc(C(=O)NNC(=O)c3cn(C)c(=O)nc3O)n[nH]2)cc1OC 768275573 BLWJYEKOJZZFMB-UHFFFAOYSA-N 414.378 -0.032 50 20 HBGD COCCCS(=O)(=O)NCC(=O)NNc1nc(O)c2cnn(C(C)(C)C)c2n1 770970005 YCGFSDBUEMTKHQ-UHFFFAOYSA-N 415.476 -0.314 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C2(c3ccc(C#N)cc3)CC2)n(C)c1=O 780926187 KQNCCJHPLMEGIA-UHFFFAOYSA-N 421.417 -0.815 50 20 HBGD CCOC(=O)c1ccccc1NC(=O)C(=O)NNC(=O)CNC(=O)c1ccco1 784002165 KVHVJAQYIMCVGL-UHFFFAOYSA-N 402.363 -0.028 50 20 HBGD Cc1ccc(-n2cccn2)cc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 789583975 ALLKPXZMHMRFDV-LLVKDONJSA-N 408.440 -0.796 50 20 HBGD CCOC(=O)Cc1cccc(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1 795301372 GZUXDHTYKMGTDT-LBPRGKRZSA-N 419.481 -0.528 50 20 HBGD O=C1NC(=O)C(=NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)C(=O)N1 814216137 ZGKBQNAFWLWGPG-UHFFFAOYSA-N 418.369 -0.103 50 20 HBGD COCC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1cccc([N+](=O)[O-])c1 814785612 YWMVERDXVUQHSK-UHFFFAOYSA-N 422.423 -0.354 50 20 HBGD O=C(CN1CCN(C(=O)C(=O)NC2CC2)CC1)NNC(=O)c1cccc(Cl)c1 917124769 TVZWQQDJIKVJFZ-UHFFFAOYSA-N 407.858 -0.476 50 20 HBGD CC(C)[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779029419 RZLDYHITKQFRKP-KXBFYZLASA-N 405.455 -0.855 50 20 HBGD CC[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCO2)C1 1783350727 APKIDQRHPUYAPH-ZWUHOBOKSA-N 404.305 -0.287 50 20 HBGD CCOC(=O)C1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)CC1 1784094800 SFRPUBZISDRSBS-FQUUOJAGSA-N 402.875 -0.091 50 20 HBGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]2C1 1786892798 NFVBDDQVGMPZJK-VLJOUNFMSA-N 419.320 -0.658 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccnc3)C[C@@H]21)c1cccc(B(O)O)c1 1786984664 WVJHKWLOLQBKNK-WDSOQIARSA-N 409.251 -0.332 50 20 HBGD Cc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)no1 1791538347 BNPAVLGMWDLZCG-XIRDDKMYSA-N 421.498 -0.122 50 20 HBGD CC(=O)NC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1793602603 QFFYAZWTOBLAEN-BJWYYQGGSA-N 401.272 -0.467 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1nc2ccccn2n1 1796191030 QFARRYRWMNQGDQ-BJWYYQGGSA-N 419.250 -0.025 50 20 HBGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)C1 1800522114 QYLHWOYGTGCJFZ-MPLKPFFPSA-N 402.289 -0.257 50 20 HBGD CN(C)CC(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807363022 LLKPEOSBXPWFRN-XLIONFOSSA-N 410.283 -0.357 50 20 HBGD O=C(CN1C(=O)CNC1=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](O)CCl)CC1 1824178928 MPYQDBFZAQINAZ-KGLIPLIRSA-N 414.890 -0.242 50 20 HBGD O=C(c1ccc([N+](=O)[O-])o1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830719700 HYVOKUSWYWQXFR-BDJLRTHQSA-N 417.802 -0.143 50 20 HBGD CN1CCCC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1830765298 NMNJSHFZCQRKQY-RLFYNMQTSA-N 403.907 -0.473 50 20 HBGD CC(=O)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834384177 UKTYOKASKUTTPC-UHFFFAOYSA-N 401.272 -0.859 50 20 HBGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)COCCO)CCO2)C1 1839195214 HPSYPCDCBNOZQF-BBRMVZONSA-N 423.304 -0.375 50 20 HBGD CNC(=O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Br)CCO2 1840030456 MUQCVJXQLCVXDB-XHDPSFHLSA-N 406.277 -0.638 50 20 HBGD O=C(CC[C@@H]1CCOC1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840585205 BRHMTENPZXSEEL-IIDMSEBBSA-N 404.891 -0.141 50 20 HBGD C[C@H](CBr)C(=O)N1CCCC12CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1841285883 VEFUZRGLEWYKIL-ZJUUUORDSA-N 401.261 -0.181 50 20 HBGD COC(=O)CSCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnccc1C(=O)NN 1847815347 SNBZDWXUNHSYOZ-KBPBESRZSA-N 421.479 -0.593 50 20 HBGD NC(=O)c1ccc(N2CCN(C(=O)NNC(=O)CNC(=O)c3ccco3)CC2)nc1 725870956 DMDMHDUYQXDSHB-UHFFFAOYSA-N 415.410 -0.934 50 20 HBGD O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)c1cc(Br)c[nH]1 742489365 QWIDQENCWIPYPC-LSKIRQOJSA-N 411.212 -0.299 50 20 HBGD CCN1C(=O)c2ccc(C(=O)NNC(=O)CNC(=O)c3ccco3)cc2S1(=O)=O 751203371 NXIYONCNQCPXCG-UHFFFAOYSA-N 420.403 -0.365 50 20 HBGD CCN(CC)c1ccnc(NNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)n1 762902151 MTYUPYVPSUPUFH-CHWSQXEVSA-N 410.500 -0.199 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)/C=C/SCc2ccco2)n(C)c1=O 765730977 QEDSGLRKAVCVTK-FNORWQNLSA-N 418.435 -0.379 50 20 HBGD CCOc1ccccc1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 766635992 KXOZWCVCEFMEBI-UHFFFAOYSA-N 400.395 -0.706 50 20 HBGD COc1cccc(S(C)(=O)=O)c1NNC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O 768635409 BCJNWMHBTWMGHA-LBPRGKRZSA-N 412.468 -0.331 50 20 HBGD C[C@@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)C[C@@H](C)O1 782410475 BUSXNXKGNIOGIL-GHMZBOCLSA-N 420.351 -0.360 50 20 HBGD CN(C)S(=O)(=O)[C@H]1CCCN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1 796122395 DRWDBOHKQKVZLM-AWEZNQCLSA-N 413.456 -0.288 50 20 HBGD O=C(CNC(=O)NCc1ccc(F)cc1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919889962 XNNIFEHEAMGQIY-LBPRGKRZSA-N 401.420 -0.858 50 20 HBGD O=C(CN1CCCC1=O)NNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 920827936 ZSUFIAMOSONNNK-HNNXBMFYSA-N 408.480 0.000 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCCOC1)CCO2 1779035160 AAUHTFCBKWIVOG-XOBRGWDASA-N 417.466 -0.445 50 20 HBGD O=C(c1c[nH]c(=O)cn1)N1CC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1780248324 BDTDIJGAKADIMZ-BXUZGUMPSA-N 403.208 -0.096 50 20 HBGD O=C(Cn1ccncc1=O)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781333617 IKQQJHBNPBVWKA-DZGCQCFKSA-N 417.235 -0.236 50 20 HBGD O=C(CN1C(=O)C=CC1=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781333845 GTNIDXKGMBQGKB-HIFRSBDPSA-N 418.219 -0.568 50 20 HBGD C[C@H](NC=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782211992 ALEZMKNYUGMOCV-QMTMVMCOSA-N 411.503 -0.992 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1cnn(C)c1)CCO2 1783938134 VIQHCXQZTSFAEX-IBGZPJMESA-N 406.487 -0.835 50 20 HBGD CC[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21 1790962190 XGJNWPWLBVLTHA-CYDGBPFRSA-N 415.292 -0.174 50 20 HBGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)CCC(N)=O 1795533763 AVMHJJCGXFDFFK-GHMOJZLGSA-N 419.320 -0.658 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cccnc1)C2)c1ccc(B(O)O)cc1 1795734501 KJKUDWXIQABSKN-XEMDLRDOSA-N 409.251 -0.793 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(F)nc1)C2)c1cccc(B(O)O)c1 1795740218 GDNGCALILMNWJX-JLVBRIDZSA-N 413.214 -0.583 50 20 HBGD Cc1cnoc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1798399835 VVZVOXOXLSNBDN-JJLQDPRZSA-N 414.422 -0.501 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Cl)C2)c1cc(=O)nc2cccnn12 1798497716 RTXMDNFPYXCEDN-ANGCBRKESA-N 409.805 -0.173 50 20 HBGD Cc1cnn([C@H](C)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)c1 1801012098 CFZWREVDFBHXMT-OAFZBRQQSA-N 420.514 -0.285 50 20 HBGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC(=O)C1 1801070652 HKLLGYLNIPWWCH-MPLKPFFPSA-N 402.289 -0.114 50 20 HBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)Cn2ccnn2)[nH]n1)c1ccc(B(O)O)cc1 1817471510 QKIGVDHUGOZFNG-MRXNPFEDSA-N 423.242 -0.313 50 20 HBGD Cn1cc(F)cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830727668 AQZKDNAXIJNANR-WMLDXEAASA-N 403.838 -0.166 50 20 HBGD Cc1nc(C)c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)o1 1830732963 ZCNFRRPFCNNVDD-DYVFJYSZSA-N 401.847 -0.039 50 20 HBGD Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)no1 1830739156 ZXTDWBWDGDMIBH-WMLDXEAASA-N 401.847 -0.418 50 20 HBGD O=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)=NN1 1834823287 MONNZPJCSKVGDB-HNNXBMFYSA-N 417.260 -0.896 50 20 HBGD O=C(c1cn2cccnc2n1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1836883650 RTHXYHBFZPJFBI-KDOFPFPSSA-N 423.857 -0.601 50 20 HBGD C[C@@H](O)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837921596 RIQUHIUOUZUTHQ-CQSZACIVSA-N 404.272 -0.641 50 20 HBGD COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)ccn1 1837973920 LMZXJUOBNAOUQV-RDTXWAMCSA-N 413.858 -0.240 50 20 HBGD O=C([C@H](F)Cl)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2 1839782352 VKLSSWXYIYVNLL-TYNCELHUSA-N 412.867 -0.446 50 20 HBGD O=C(CCCn1ccnc1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840383567 UJPZYRPLOIFZRF-CRAIPNDOSA-N 414.890 -0.281 50 20 HBGD O=C(NCCC(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1)c1ccc[nH]1 1843013148 NVZUBBPQGWFESF-UHFFFAOYSA-N 424.266 -0.668 50 20 HBGD Cn1cccc(C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)c1=O 1844263480 JMCWTLSEFFYJQH-UHFFFAOYSA-N 410.434 -0.485 50 20 HBGD COC(=O)[C@H]1CC[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cccc(B(O)O)c2)C1 1847554622 COGODWXOKFSFOT-LAQRGFTBSA-N 414.267 -0.229 50 20 HBGD CCn1c(CCC(=O)NNC(=O)CN(C)C)nc2cc(S(=O)(=O)N(C)C)ccc21 727761523 LTNSCDPRGPHWPA-UHFFFAOYSA-N 424.527 -0.052 50 20 HBGD CC(C)N(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1 729276017 VLRWBUGELZOFEX-LLVKDONJSA-N 420.513 -0.586 50 20 HBGD O=C1CN(S(=O)(=O)c2cccc(C(=O)NNc3ncnc4[nH]cnc34)c2)CCN1 740746554 OUKOMZXHMQWVMK-UHFFFAOYSA-N 416.423 -0.770 50 20 HBGD CN(C)C(=O)Cn1cc(C(=O)NNC(=O)c2cc(Br)ccc2O)nn1 743730247 UAVDTHKKUREJGH-UHFFFAOYSA-N 411.216 -0.091 50 20 HBGD COCCOCCS(=O)(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 754741998 VWUQIFMMKSQBLM-UHFFFAOYSA-N 423.513 -0.771 50 20 HBGD COc1ccc(C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)cc1OC 755038406 KLZFPMSYTWHCIT-SNVBAGLBSA-N 411.440 -0.435 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 755445261 YUKXUVQGQFPWJN-ZETCQYMHSA-N 414.412 -0.227 50 20 HBGD CO[C@@H](C)C(=O)Nc1cccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 756226912 CDSYOKAVIYKPGE-UWVGGRQHSA-N 401.445 -0.250 50 20 HBGD CC(C)(C)OC(=O)NCC(=O)NCC(=O)NNC(=O)c1ccc2c(c1)OCCO2 766325117 BEESLDKTEQRKHW-UHFFFAOYSA-N 408.411 -0.140 50 20 HBGD Cc1ccc(F)c(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1F 767088209 LUBUTQCJEOOQLM-UHFFFAOYSA-N 406.349 -0.518 50 20 HBGD Cn1c(=O)c2cc(NC(=O)C(=O)NNc3ccccc3[N+](=O)[O-])cnc2n(C)c1=O 773654334 SAZBISNMUBPXOZ-UHFFFAOYSA-N 413.350 -0.378 50 20 HBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)NC2CC2)c1 784915908 IXCCHVIPWXKNGT-UHFFFAOYSA-N 413.456 -0.233 50 20 HBGD O=C(CCCCN1C(=O)c2ccccc2C1=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 792591372 FGJRNASCPNXUKA-LBPRGKRZSA-N 422.463 -0.030 50 20 HBGD CNS(=O)(=O)N1CCC(C(=O)OCC(=O)NNC(=O)c2cccc(C)c2)CC1 803937493 XGEDFLXOIYHJPO-UHFFFAOYSA-N 412.468 -0.525 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C[C@@H]2CCCS(=O)(=O)C2)c1 1330517817 UBOQWFYZDLLTDB-LBPRGKRZSA-N 417.509 -0.087 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCC4)C2)C1 1778667205 WIZRZLWMBADKTC-OAQYLSRUSA-N 424.266 -0.734 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1779097247 PATKVDZBGFNCDL-JQFCIGGWSA-N 424.325 -0.297 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 1779885892 FKINQDCVHYRCLJ-IBGZPJMESA-N 405.455 -0.864 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](COC)NC(C)=O)CCO2 1783877896 RJKJHLQMNASLTI-ZQIUZPCESA-N 405.879 -0.779 50 20 HBGD Cc1[nH]nc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1F 1783936131 GXSREUNQUILPJX-GOSISDBHSA-N 410.450 -0.326 50 20 HBGD Cc1nn[nH]c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1787186377 GIACOFOYBNPBDP-IHRRRGAJSA-N 407.475 -0.921 50 20 HBGD C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1793355334 FTGHGGGKXPESOG-SCNOPHJPSA-N 402.256 -0.839 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccon1 1794925296 NQNJBIUMOPNBKH-QHBPRCKVSA-N 400.395 -0.810 50 20 HBGD Cc1cccnc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801010630 NLZIGZNLJQZNAO-CCWDJLKJSA-N 403.483 -0.034 50 20 HBGD O=C(COCCO)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815360700 XMMVUDMFOVYJGU-ZDUSSCGKSA-N 419.268 -0.942 50 20 HBGD O=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)=NN1 1817472517 UZDSKLWXXQFDOG-HNNXBMFYSA-N 424.226 -0.729 50 20 HBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@H](O)CCl)[nH]n1)[C@@H](O)N1CCOCC1 1819441565 FPGFJNPABCTDAW-OGHNNQOOSA-N 415.878 -0.348 50 20 HBGD CN(CC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](O)CCl)CC1)C(=O)C(=O)O 1824187341 CVKCXVZFCALNAO-UONOGXRCSA-N 417.890 -0.251 50 20 HBGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCC(=O)NC1)CCO2 1829955741 AXLFQHOGRVEGLL-DEYYWGMASA-N 401.891 -0.014 50 20 HBGD C[C@H](S)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798820 BRXSOQFERVFQIQ-AWEZNQCLSA-N 419.356 -0.130 50 20 HBGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)C3CC(O)C3)C2)C1 1834818665 AYSPYCHESIDOSL-ZUEPYMLJSA-N 405.289 -0.001 50 20 HBGD C[C@@H](CC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837710093 HRFBTOQMPOZMGO-KSSFIOAISA-N 415.563 -0.194 50 20 HBGD CN(C)C(=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1839152296 VFWAIHLKSDHYER-CVEARBPZSA-N 410.298 -0.233 50 20 HBGD CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839222124 DNUMWOUEWRZZSY-CKEIUWERSA-N 405.879 -0.157 50 20 HBGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnnn3C)C2)C1 1840031526 SSNFPWUWLNWAEL-IAQYHMDHSA-N 416.276 -0.332 50 20 HBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCCC12CN(C(=O)CNC(N)=O)C2 1841925711 ZNWNSXLUEUTZAB-NSHDSACASA-N 417.894 -0.010 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)[C@H]2Cc3ccccc3CN2)C1 1843368394 WHSVGDBDXLGZNZ-HXUWFJFHSA-N 419.290 -0.102 50 20 HBGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 27145570 PFVNVRNMICDECG-OKILXGFUSA-N 405.432 -0.198 50 20 HBGD CCOc1ccccc1OCC(=O)NNC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O 728456551 SMWDDZUCELAQGX-AWEZNQCLSA-N 406.439 -0.261 50 20 HBGD CCOC(=O)c1cc(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1F 728505438 GGDUXBDBNDQKAW-SECBINFHSA-N 423.444 -0.318 50 20 HBGD CN(C)CCN1C[C@@H](C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)CC1=O 746201154 UDTNCCMWNPMKEN-ZDUSSCGKSA-N 409.512 -0.020 50 20 HBGD CCC[C@@H](NC(N)=O)C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765737170 XCVBVLHAWJINRC-OAHLLOKOSA-N 404.471 -0.571 50 20 HBGD C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O 774010505 XPBYVKVDMQWCFI-RKDXNWHRSA-N 406.848 -0.952 50 20 HBGD Cc1ccn(C[C@](C)(O)C(=O)NNC(=O)c2csc(N3CCOCC3)n2)c(=O)c1 790482952 FVJFAORAQLCPJR-SFHVURJKSA-N 421.479 -0.338 50 20 HBGD CC(C)NS(=O)(=O)c1cc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)ccc1F 914720139 SWNUPAWTHTZABY-NSHDSACASA-N 421.472 -0.292 50 20 HBGD CC(C)NC(=O)CN1CCN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1 917173712 MLRPBGHHAZIPET-UHFFFAOYSA-N 406.443 -0.502 50 20 HBGD COC(=O)C12CC(C(=O)N3CC[C@]4(CN(C(=O)[C@H](O)CCl)CCO4)C3)(C1)C2 1783440837 HJANLZPWURBMJI-GGKIJQQKSA-N 400.859 -0.241 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnnc(Cl)c1)CCO2 1783936699 RJNGFCWZAFBCTG-SFHVURJKSA-N 424.889 -0.054 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(=O)C3CC3)[C@H]2C1 1784005536 LMXOLGRLWCPKBH-RCBQFDQVSA-N 415.450 -0.743 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)c1ccco1 1792521936 QBMKKMQWXGAYIT-JGTCGTHISA-N 408.455 -0.724 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnn2ncccc12)c1cccc(B(O)O)c1 1796710298 WODAPPYVVAFPSB-BJWYYQGGSA-N 419.250 -0.025 50 20 HBGD CCOC(=O)N[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)Br)C2 1797588701 VSCFMUXEFJBZQE-JPYZYGQNSA-N 422.276 -0.576 50 20 HBGD CC(=O)N(C)[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798440285 KIBOZRNEYNZOHF-MHEUCROKSA-N 416.482 -0.196 50 20 HBGD C[C@@]1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)CC1(F)F 1802002864 OCMRQNDQFOPXJL-WZTYKQCMSA-N 423.420 -0.066 50 20 HBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)Cn2cncn2)[nH]n1)c1ccc(B(O)O)cc1 1817471245 IBKIBYKPDOOBBO-MRXNPFEDSA-N 423.242 -0.313 50 20 HBGD COC(OC)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1831027430 LSTIBJTZWRKGCB-OAHLLOKOSA-N 409.277 -0.153 50 20 HBGD COCC(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798018 VUPYKZYNKFLPIS-UHFFFAOYSA-N 403.288 -0.802 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1837712115 FKNYDHGLFYPQTI-KSSFIOAISA-N 413.547 -0.427 50 20 HBGD O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1838825028 DTVTVLYAGPQVPJ-LRDDRELGSA-N 416.818 -0.407 50 20 HBGD Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)on1 1840183384 AFLUPPSWJQBQDL-IBGZPJMESA-N 423.470 -0.574 50 20 HBGD O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)NNC(=O)c1csc(N2CCOCC2)n1 729493946 GHFANXKIFIXTRZ-CHWSQXEVSA-N 410.500 -0.213 50 20 HBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@@H]2CCN(C)C2=O)c1 739059387 NJLWQDIZJAZWBN-CQSZACIVSA-N 411.484 -0.108 50 20 HBGD O=C(COC(=O)CNC(=O)c1ccccn1)NNC(=O)c1cccc([N+](=O)[O-])c1 740329617 GQUCXTNGBJSWNS-UHFFFAOYSA-N 401.335 -0.276 50 20 HBGD Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NNC(=O)[C@@H]2COCCO2)C1 744648496 CINWQFZCDRGJCI-OLZOCXBDSA-N 416.456 -0.745 50 20 HBGD CN1CC(=O)N(CC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)C1=O 747450903 XINRKTAILNRCGR-UHFFFAOYSA-N 402.455 -0.760 50 20 HBGD CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 765070529 KUBLZHNOBYOILD-MNOVXSKESA-N 406.461 -0.860 50 20 HBGD O=C(CN1CCC(N2CCS(=O)(=O)CC2)CC1)NNC(=O)c1cccs1 766871919 DMQUKRWGROSVCC-UHFFFAOYSA-N 400.526 -0.296 50 20 HBGD CN1CCN(C(=O)NNC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)CC1 773672760 JCUMGYSRXDCABI-LJQANCHMSA-N 400.439 -0.632 50 20 HBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 778438035 PPEYVQUINGIXEG-MHWZDGSBSA-N 410.427 -0.789 50 20 HBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccccc1N 800234086 BOFHBFNDNSDKFQ-NSHDSACASA-N 400.457 -0.328 50 20 HBGD O=C(CN1CCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1783587078 DJWZPAWTKLDZCD-WDSOQIARSA-N 415.299 -0.945 50 20 HBGD C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1)n1ccnc1 1783933085 CFASLBVMGFKPOP-BEFAXECRSA-N 406.487 -0.353 50 20 HBGD C[C@H](C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)n1cccc1 1784331200 VMPURIJFESDTDV-IIBYNOLFSA-N 411.267 -0.127 50 20 HBGD CC[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1792861790 SZVDAWRVUNDAMJ-VBVBCPGOSA-N 405.455 -0.519 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)CNC1=O 1793763886 MAZIWCWSBKBBCF-SKILGCBUSA-N 421.281 -0.636 50 20 HBGD C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796188015 UPDGDPGEZFPADB-VDNDLQMASA-N 422.312 -0.701 50 20 HBGD COC(=O)C1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)CC1 1801705301 RFRBELPRVKKEBJ-MUJYYYPQSA-N 400.240 -0.429 50 20 HBGD Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)no1 1830739155 ZXTDWBWDGDMIBH-RHSMWYFYSA-N 401.847 -0.418 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccccn1)CCO2 1833989387 CEYJPASVTJNPKB-FQEVSTJZSA-N 419.482 -0.475 50 20 HBGD O=C1CN(CC(=O)N2CCC(N3CCC(NC(=O)[C@H](F)Cl)CC3)CC2)C(=O)N1 1835079006 JDZAEBULNCFPFL-HNNXBMFYSA-N 417.869 -0.356 50 20 HBGD C=CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](Cl)COC)C2)C1 1837702394 AFCRKLSLTXMMTB-GLJUWKHASA-N 417.890 -0.613 50 20 HBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc(S(=O)(=O)N(C)C)c1C 9931002 BMYGOCXRZXQNOS-GFCCVEGCSA-N 417.509 -0.251 50 20 HBGD CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 727145210 IPKFNKAYZYJEIG-VHSXEESVSA-N 408.502 -0.186 50 20 HBGD C[C@]1(C2CC2)NC(=O)N(CC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)C1=O 728845127 HBGULISLXXLJGT-LJQANCHMSA-N 415.454 -0.439 50 20 HBGD CC(=O)N1CCN(C(=O)CCNC(=O)NNC(=O)c2ccc3c(c2)OCCO3)CC1 730827218 HHPQPDGVRHIXOX-UHFFFAOYSA-N 419.438 -0.517 50 20 HBGD C[C@@H](C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)N1CCN(c2ccc(F)cc2)CC1 732259620 SNCTWUNFMKIKOL-KBPBESRZSA-N 412.487 -0.082 50 20 HBGD CN(C1CCCCC1)S(=O)(=O)N1CCN(CC(=O)NNC(=O)C2CC2)CC1 733194420 QAJZFECMXXLZLB-UHFFFAOYSA-N 401.533 -0.329 50 20 HBGD COc1ccccc1CC(=O)NNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 746396671 JQABLFKBGUGEOU-MRXNPFEDSA-N 404.467 -0.434 50 20 HBGD CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)NNC(=O)COc2ccc(C#N)cc2)C1=O 753016483 IWKFSTLZRRCQJD-ORAYPTAESA-N 414.422 -0.012 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 755866697 VZPUHJLAMPDQAF-UTUOFQBUSA-N 414.488 -0.214 50 20 HBGD O=C(COc1ccccc1O)NNC(=O)C(=O)Nc1ccc2c(c1)OCC(=O)N2 764274732 CGQAJNZQHIKENN-UHFFFAOYSA-N 400.347 -0.112 50 20 HBGD CCN1CCO[C@@H](C(=O)NNC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)C1 766648324 JGZGUGOTYADVOT-LJQANCHMSA-N 403.527 -0.019 50 20 HBGD Cc1oc(C(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)cc1S(N)(=O)=O 772188240 IUUACKUNIVMHKY-UHFFFAOYSA-N 414.827 -0.034 50 20 HBGD O=C(CN1CCCC1=O)NNC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O 789857382 RVFMCXRAVJKLIN-ZDUSSCGKSA-N 414.418 -0.155 50 20 HBGD CC[C@]1(C)NC(=O)N(CC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1=O 797236104 HQMWDKFTMOFWAP-SFHVURJKSA-N 405.411 -0.219 50 20 HBGD CCNC(=O)N(C)NC(=O)C(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 807014798 MDBSGCGNGQDMNA-CHWSQXEVSA-N 403.439 -0.286 50 20 HBGD C[C@H]1CN(C[C@@H](C)C(=O)NN=Cc2c(N(C)C)n(C)c(=O)n(C)c2=O)C[C@@H](C)O1 807956700 BEJKDETVUBBCLG-MCIONIFRSA-N 408.503 -0.655 50 20 HBGD COC(=O)NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 913176645 APMJAIFPHZAPCH-UHFFFAOYSA-N 403.413 -0.275 50 20 HBGD CN(C)S(=O)(=O)c1cc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)ccc1F 916374358 WDZMIQQPOIVWHZ-JTQLQIEISA-N 407.445 -0.728 50 20 HBGD Nc1n[nH]c(CCC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)n1 1778855204 QGPRYFICHNBGJZ-SMDDNHRTSA-N 419.255 -0.160 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)CS(C)(=O)=O)[C@H]2C1 1784525284 VWDCAXWEQVWJAG-YTFOTSKYSA-N 424.947 -0.099 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nccs1 1794897726 HAHUEMPYWVBVKW-GNXNZQSNSA-N 416.463 -0.341 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)c1ccc2c(n1)OCCO2 1796280149 JSABKPUXBSOMCX-WJNVRWDZSA-N 411.842 -0.344 50 20 HBGD 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)CN)C2 1796440625 VIXPFGSTYPEPHG-XIFNJIBBSA-N 404.471 -0.695 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2ncccn2n1)c1ccc(B(O)O)cc1 1798034145 UUYQKUYIEUZWCB-BJWYYQGGSA-N 419.250 -0.025 50 20 HBGD O=C1CC[C@H](C(=O)N2CCC(N3CCC(NC(=O)[C@H](O)CCl)CC3)CC2)CN1 1833306031 JUAYITVCQFJEKR-XJKSGUPXSA-N 414.934 -0.316 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccncc3=O)CCO2)C1 1839664540 IQYBFMLKTZBUTI-KDOFPFPSSA-N 412.874 -0.283 50 20 HBGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1839861463 ZNMWEUVRRYQFRS-WBMJQRKESA-N 420.304 -0.261 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccc(C)n3)C2)C1 1840150202 HJSHUIYQPSBLGC-YJBOKZPZSA-N 414.890 -0.098 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)[C@H](N)c2ccccn2)C1 1842929839 ULIURULWIGENRC-MRXNPFEDSA-N 409.450 -0.403 50 20 HBGD O=C(NNC(=O)c1nccnc1C(=O)NCc1ccc(F)cc1)C(=O)N1CCCC1 726533648 FSAFKEQPFPFTHW-UHFFFAOYSA-N 414.397 -0.071 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1 729275976 ULWSZNRMBNMCBZ-SNVBAGLBSA-N 420.513 -0.538 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 755641143 MBSGOXCKPQFELU-GWCFXTLKSA-N 413.456 -0.106 50 20 HBGD CNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1 763551334 MGCPFNZCDFRCKI-UHFFFAOYSA-N 420.403 -0.277 50 20 HBGD COCCO[C@H](C)C(=O)NNC(=O)NCCN(C)S(=O)(=O)c1cccs1 772626403 RURYCXJYIQODEM-LLVKDONJSA-N 408.502 -0.250 50 20 HBGD C[C@@H](NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)c1ncn(C)n1 780700686 PZWUUXNGINHOHB-GFCCVEGCSA-N 423.503 -0.467 50 20 HBGD Cn1cnn(CC(=O)NNc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1=O 781429742 PZKKSJOYEWKQCJ-UHFFFAOYSA-N 409.453 -0.018 50 20 HBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1cnc2[nH]c(O)nc2c1 809724730 XGXKZBPTMHEZHY-UHFFFAOYSA-N 423.433 -0.118 50 20 HBGD O=C(COc1ccccc1F)NNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 914829776 UFXGYWRNAJEPEY-NEPJUHHUSA-N 413.427 -0.613 50 20 HBGD O=C1CN(C(=O)c2ccc(CNC(=O)NNC(=O)Cc3ccncc3)cc2)CCN1 1318891023 CIMRFQDLFCNVFW-UHFFFAOYSA-N 410.434 -0.273 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)C1 1781102226 BACBYEIRXXJSRK-FRQCXROJSA-N 416.950 -0.294 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)C[C@@](C)(O)CC(=O)O)CCO2)C1 1783879934 ZVYOSEWQFLWEMB-VUCTXSBTSA-N 406.863 -0.314 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CC3(O)CCC3)C[C@@H]21)c1cccc(B(O)O)c1 1786986684 YGZGZFAECWSPFW-SZMVWBNQSA-N 416.283 -0.735 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@H](CNC(=O)[C@H]2C[C@@H](O)C2)[C@H]1c1cccnc1 1809504145 DWNLKDMLCWHABN-IZBJGVDFSA-N 423.278 -0.148 50 20 HBGD CN1CC(C(=O)NC[C@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)C1 1813608043 NJNAQSUPUOMLFK-XLIONFOSSA-N 422.294 -0.357 50 20 HBGD O=C(CN(CCO)CCO)N[C@H]1CCc2nc(NC(=O)[C@@H](F)Cl)sc2C1 1817134888 UBWZWYUUUWDKSL-TVQRCGJNSA-N 408.883 -0.124 50 20 HBGD CCS(=O)(=O)CC(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833306515 VCPAUIHOQSCTDY-HNNXBMFYSA-N 423.963 -0.408 50 20 HBGD Cc1cc[nH]c1C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1833548576 LGRJSNXDODHBFJ-FQEVSTJZSA-N 421.498 -0.234 50 20 HBGD C=CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](Cl)COC)C2)C1 1837702395 AFCRKLSLTXMMTB-HBUWYVDXSA-N 417.890 -0.613 50 20 HBGD CCc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)co1 1838131518 HLTSTELHWPCFRI-SUMWQHHRSA-N 401.847 -0.093 50 20 HBGD O=C([C@H](F)Br)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839198453 DTJKPVNOLQTRKF-KWBADKCTSA-N 417.659 -0.267 50 20 HBGD Cc1cnn([C@H](C)C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1 1840400693 CJGGUMKEZDYYCZ-RVKKMQEKSA-N 414.890 -0.191 50 20 HBGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)CCl)C2)C1)n1cnnn1 1840474514 VGOMCGONVIHXML-DYVFJYSZSA-N 414.894 -0.045 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)CNC(=O)c2ccco2)C1 1843079205 UHGAJEAHNKBALZ-UHFFFAOYSA-N 405.455 -0.414 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)NCCOCCS(C)(=O)=O)cc1C 745855118 PHLYZZNPJBDXIZ-UHFFFAOYSA-N 400.457 -0.366 50 20 HBGD Cn1cnnc1SCc1ccc(C(=O)NNC(=O)c2cnc(O)n(C)c2=O)cc1 751557397 CEBUOOWTFIWSQQ-UHFFFAOYSA-N 415.435 -0.019 50 20 HBGD CCN1CCN(c2ccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc2)CC1 755473938 PWTGENJLZOOMFS-ZDUSSCGKSA-N 412.516 -0.081 50 20 HBGD CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2cc(C)[nH]n2)s1 763119258 KQCLACXEPGOHNC-UHFFFAOYSA-N 414.469 -0.845 50 20 HBGD Cc1ccc(Br)c(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 764228081 UVNDEVLJMQJMOW-MRVPVSSYSA-N 421.273 -0.219 50 20 HBGD Cc1cc(Br)ncc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764231165 NAZQQIYNOKGQHQ-SSDOTTSWSA-N 422.261 -0.824 50 20 HBGD COC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)cc1Cl 764423561 BLJICQCSHSZUES-GFCCVEGCSA-N 415.786 -0.607 50 20 HBGD CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C 765323468 QPXRYYIOKLMFLW-ZDUSSCGKSA-N 413.475 -0.434 50 20 HBGD CCNC(=O)CCCC(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766641669 ISURGWHTNNSGLN-UHFFFAOYSA-N 403.483 -0.102 50 20 HBGD CNC(=O)Cn1cc(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2cccc(Cl)c2)cn1 774001474 GWQHEPTXNMBKSA-SNVBAGLBSA-N 422.829 -0.164 50 20 HBGD O=C(NNS(=O)(=O)c1ccc(OCC(F)(F)F)nc1)[C@@H]1CCS(=O)(=O)C1 777915355 UTYHUSUNLRBWPW-MRVPVSSYSA-N 417.387 -0.233 50 20 HBGD CNS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)CNC(=O)OC(C)(C)C)cc1 777939403 NGWDTWZDRWGAAW-UHFFFAOYSA-N 422.485 -0.571 50 20 HBGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1ccc(N2CCSCC2)cc1 783996103 CILCKHJNNRQOTQ-UHFFFAOYSA-N 405.480 -0.052 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNc2nc3ccccn3n2)c1 791258265 PODUCBQBWNRQQZ-UHFFFAOYSA-N 417.451 -0.147 50 20 HBGD CN(CCCNC(=O)NNC(=O)c1csc(N2CCOCC2)n1)S(C)(=O)=O 1118507338 YWDMRWMWKCRQTO-UHFFFAOYSA-N 420.517 -0.795 50 20 HBGD C[Si](C)(C)OCC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1C(=O)C=CC1=O)CCO2 1779300932 APQGZONKSYZUPX-GOSISDBHSA-N 409.515 -0.407 50 20 HBGD CO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779376093 WYFROMAYMDKUJV-OWDMVUQNSA-N 419.482 -0.153 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(Cl)ncn1)CCO2 1783934450 AFBDMXLOIIHSTQ-SFHVURJKSA-N 424.889 -0.054 50 20 HBGD CCN1CCC(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)CC1 1783939900 NAAHITVPBNPENR-OAQYLSRUSA-N 423.558 -0.079 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCOC3=O)[C@H]2C1 1784282622 GIMRWYMSGFMZAN-FQUUOJAGSA-N 403.863 -0.328 50 20 HBGD O=C(CC[C@H]1CCOC1)N1CC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1784809694 WYFPJEGHMQWBJG-HRAATJIYSA-N 416.283 -0.373 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccno3)[C@H]2C1 1786021585 HQSILURPORUVET-PJODQICGSA-N 414.422 -0.420 50 20 HBGD C=CCSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786980081 GXQOBJOILSSZFY-SZMVWBNQSA-N 418.324 -0.121 50 20 HBGD CN(C)C(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CO[Si](C)(C)C)C2 1792627175 SUKWDTLOLNVTIX-YWVIFJGQSA-N 400.552 -0.301 50 20 HBGD CC(C)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)N1CCOCC1)C2 1792782891 JDQSBSHGROBDNE-LXTVHRRPSA-N 403.907 -0.508 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)ncn1)C2 1798439540 HHLUCHQZWCDXJW-ZSBIGDGJSA-N 411.422 -0.254 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(N)s1)C2 1801012908 CVWOPGATKGHWBM-QHBPRCKVSA-N 410.500 -0.699 50 20 HBGD O=C(NC[C@@H]1CCN(C(=O)c2ncon2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807376044 SJHPIOIZAIKRRY-RDJZCZTQSA-N 421.222 -0.222 50 20 HBGD Cc1nccn1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830735700 LYSMVNIYSKMHBF-PBHICJAKSA-N 400.863 -0.752 50 20 HBGD CN[C@@H](CC(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)C(=O)O 1834740779 VBAKOCOJVFHYIB-GJZGRUSLSA-N 418.922 -0.780 50 20 HBGD COCCOCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1835248763 XPVIGJYBGVQTJK-BBRMVZONSA-N 423.304 -0.111 50 20 HBGD COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)nn1 1838346567 WFACZPQBFYYBJZ-SUMWQHHRSA-N 414.846 -0.845 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H](NC)C(=O)O)C2)C1 1839144336 VPKNYPDNXUXYST-AHIWAGSCSA-N 405.879 -0.477 50 20 HBGD C[C@@](O)(C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2)C(F)(F)F 1841802499 HDFWWWVWTKAMFK-OAHLLOKOSA-N 415.372 -0.185 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1cccc(=O)n1O)C2 1844263778 UPQUITAOMGUCPG-UHFFFAOYSA-N 412.406 -0.785 50 20 HBGD COC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)C1 1846561503 JRUIAEAIYXDMFS-LSDHHAIUSA-N 411.890 -0.086 50 20 HBGD CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 727145208 IPKFNKAYZYJEIG-NXEZZACHSA-N 408.502 -0.186 50 20 HBGD O=C(COC(=O)CCn1cc([N+](=O)[O-])cn1)NNC(=O)[C@H]1COc2ccccc2O1 728338101 DUUUIHHSYFGERQ-CQSZACIVSA-N 419.350 -0.288 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=S)NCCc1ccc2c(c1)OCCO2 728450431 XXMSNFPLDCWPQT-SNVBAGLBSA-N 402.498 -0.567 50 20 HBGD CS(=O)(=O)N1CCN(CCNC(=O)NNC(=O)Cn2ccc3ccccc32)CC1 729499752 XMLMXIFYGHBZMA-UHFFFAOYSA-N 422.511 -0.451 50 20 HBGD CS(=O)(=O)CCN1CCC(NC(=O)NNC(=O)COc2ccccc2C#N)CC1 731761041 ORZVRVRGMKUOFI-UHFFFAOYSA-N 423.495 -0.224 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@H](C)CS(C)(=O)=O)cc1 733663033 RKQWAJSGAJVTHB-GFCCVEGCSA-N 420.513 -0.621 50 20 HBGD COc1cc(OC)cc(C(=O)NNC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1 742473316 AZUDZOOTKSTIBU-VDERGJSUSA-N 403.391 -0.373 50 20 HBGD COc1cc(OC)cc(C(=O)NNC(=O)CCc2nc3c(O)nc(=O)n(C)c3[nH]2)c1 746231262 JMNHDPXJIJHEGB-UHFFFAOYSA-N 416.394 -0.227 50 20 HBGD COc1cc(C)nc(NNC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)n1 746693604 FMIHGUTUNBOKOR-UHFFFAOYSA-N 422.467 -0.083 50 20 HBGD COc1cc(OC)cc(N2CC[C@@H](NC(=O)NNC(=O)C(=O)N3CCCC3)C2=O)c1 747955970 QNXHBUZKWKRUQI-OAHLLOKOSA-N 419.438 -0.238 50 20 HBGD COc1ccccc1CC(=O)NNC(=O)NCCN1CCN(S(C)(=O)=O)CC1 749356487 OOEMORNNNXIQTB-UHFFFAOYSA-N 413.500 -0.855 50 20 HBGD C[C@@H]1CN(c2ccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cn2)C[C@@H](C)O1 755866693 VZPUHJLAMPDQAF-IJLUTSLNSA-N 414.488 -0.214 50 20 HBGD CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)COC 764299376 GUTYDILEVAHWMV-UHFFFAOYSA-N 402.429 -0.932 50 20 HBGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccnc(OCC(F)(F)C(F)F)c1 764431971 HHGXUADCBZFDQB-SECBINFHSA-N 424.307 -0.138 50 20 HBGD O=C(CCN1C(=O)CCC1=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765736393 QVZRKQZCEQTZMW-UHFFFAOYSA-N 415.450 -0.869 50 20 HBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CSc1nnnn1CC(F)(F)F 778442744 DEOAODVHKHPBIW-UHFFFAOYSA-N 413.382 0.000 50 20 HBGD N#CCCN(CCN1CCOCC1)CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 778517192 VKLNUEIFPWUMEM-UHFFFAOYSA-N 404.427 -0.096 50 20 HBGD Cc1c(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)nnn1Cc1ccc(F)cc1F 792317647 XARYTULIAAFSRD-QMMMGPOBSA-N 416.410 -0.388 50 20 HBGD C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NNC(=O)[C@H]1CCc2nncn2C1 816871137 BLHDKAKIISVTSA-YPMHNXCESA-N 417.451 -0.773 50 20 HBGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)NC[C@@H]1CCS(=O)(=O)C1 916375490 YLSFJDVXAHHITQ-INIZCTEOSA-N 423.539 -0.036 50 20 HBGD C[C@@H](NC(=O)c1ccoc1)C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 917317799 OAVNSLBACWTGIN-IAQYHMDHSA-N 417.374 -0.072 50 20 HBGD COCCO[C@@H]1COCC[C@H]1NC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 1320566266 IGFVKOVIXVFGMA-HUUCEWRRSA-N 419.438 -0.302 50 20 HBGD C[C@@H]1CC[C@H](C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)O1 1778198484 HOCMPASILUTOMK-ZTQAJYAQSA-N 402.256 -0.623 50 20 HBGD CC[C@@H](NC)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779030589 CYABFKPBHFDGLF-BEFAXECRSA-N 404.471 -0.873 50 20 HBGD Cn1ccnc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779031271 PUXJYBOYKNTCDL-IBGZPJMESA-N 413.438 -0.824 50 20 HBGD C[C@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779376010 UXNZHEMIZVPWFS-IOHHAYIISA-N 405.455 -0.807 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCCO1)C2)c1cccc(B(O)O)c1 1795737847 ZQYYJTLTKUGRMF-CYGHRXIMSA-N 402.256 -0.861 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)c1ccc2c(c1)CNC2=O 1797547845 IIBJIJFYHKJYSM-OCVGTWLNSA-N 407.854 -0.267 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)c1nn[nH]c1C(F)(F)F 1798711670 TYOBCUHFXDBICR-KZVJFYERSA-N 411.768 -0.374 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnc(F)c1)C2 1801010823 XCWRNIKYNPZHRJ-ZSBFGKGUSA-N 407.446 -0.203 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCC2(CCCN(C(=O)CN3CCOCC3)C2)CC1 1809547726 KAEJSMPUPBIYNO-UHFFFAOYSA-N 423.558 -0.077 50 20 HBGD CC(=O)N[C@@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCC(=O)NN(C)C)CC2 1825228726 BIKDLLYNSIZLAV-CMPLNLGQSA-N 424.527 -0.047 50 20 HBGD CS(=O)(=O)NC[C@H]1CCCN(C(=O)NNC(=O)CNC(=O)c2cccs2)C1 725874421 YRULEGQYSDMUEL-LLVKDONJSA-N 417.513 -0.520 50 20 HBGD C[C@@H]1CN(CCC(=O)NNC(=O)c2nc(S(C)(=O)=O)n3ccccc23)C[C@@H](C)O1 732263496 NKUXMCVDXVDRCM-CHWSQXEVSA-N 423.495 -0.002 50 20 HBGD O=C(CCNC(=O)c1n[nH]c2ccccc12)NNC(=O)N[C@H]1CCS(=O)(=O)C1 732755554 SRYQUXXVWQMYTF-JTQLQIEISA-N 408.440 -0.800 50 20 HBGD Cn1cc(C(=O)NNC(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)cn1 735473465 WNVWJMHUOHWTTC-CQSZACIVSA-N 407.452 -0.048 50 20 HBGD Cc1c(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cccc1S(N)(=O)=O 753904122 XWJSDOVLIXZNFE-UHFFFAOYSA-N 401.408 -0.307 50 20 HBGD C[C@@H](C(=O)N1CCCC1)N1CCN(CC(=O)NNC(=O)c2cccc(C#N)c2)CC1 756047329 MPHIPYKCTGAOCF-INIZCTEOSA-N 412.494 -0.052 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H](C)N1CCN(c2ccc(F)cc2)CC1 758049411 ZNADGSJRSKTCGT-CHWSQXEVSA-N 415.491 -0.579 50 20 HBGD C[C@H](c1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)cc1)N1CCOCC1 764434472 QDEQIWJERXGDSS-CJNGLKHVSA-N 406.439 -0.419 50 20 HBGD O=C1COc2ncc(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)cc2N1 770572978 FUYUHPALYTZRGS-UHFFFAOYSA-N 404.408 -0.220 50 20 HBGD O=C(Cn1cc(NC(=O)NNC(=O)[C@H]2CCc3nncn3C2)cn1)NC1CCCC1 814651723 LNONKDUVGJABGU-LBPRGKRZSA-N 415.458 -0.051 50 20 HBGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1nnn(Cc2ccccc2F)c1C 815570373 ATZJDHFXEXHARN-LBPRGKRZSA-N 422.417 -0.089 50 20 HBGD CCOCCS(=O)(=O)NCC(=O)NNc1ccccc1S(=O)(=O)N(C)C 817054619 QPKKJGQQAQJEDE-UHFFFAOYSA-N 408.502 -0.664 50 20 HBGD C[C@H](CS(C)(=O)=O)N(C)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 1116044074 CQFSFKWZEHQWPR-SNVBAGLBSA-N 405.502 -0.301 50 20 HBGD CCc1ccc(S(C)(=O)=O)cc1C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1319523605 CEFSLJWMYYZTDR-NSHDSACASA-N 403.482 -0.216 50 20 HBGD C[C@@H]1CC[C@H](C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)O1 1779032254 MBGXBXKTPNTQNS-AUJRIZCKSA-N 417.466 -0.304 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1784117649 BXKHQNJYFHEWNX-IAGOWNOFSA-N 418.277 -0.022 50 20 HBGD CC(=O)c1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)n[nH]1 1796188212 BUVOPIINYNOOMJ-MUJYYYPQSA-N 410.239 -0.142 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3nccn3C)CCO2)C1 1834401055 ISJWGQDQUJGXDE-SUMWQHHRSA-N 400.863 -0.256 50 20 HBGD O=C(CCNS(=O)(=O)c1ccc2ccccc2c1)NNC(=O)C(=O)NC1CC1 10215552 MLIGRGOOAAXSAY-UHFFFAOYSA-N 404.448 -0.066 50 20 HBGD C=CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)CNC(=O)c2ccco2)cc1 725739707 MNSXFTXZXTZMBD-UHFFFAOYSA-N 406.420 -0.065 50 20 HBGD COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)C(=O)NC(C)C)c1 726613009 BUVZSNSFKURGHE-UHFFFAOYSA-N 420.875 -0.450 50 20 HBGD NS(=O)(=O)NC[C@@H]1CCCN(CC(=O)NNC(=O)c2cccc(Cl)c2)C1 730571868 VRSVIJDGHLKHTC-NSHDSACASA-N 403.892 -0.394 50 20 HBGD O=C(CNC(=O)c1cccs1)NNS(=O)(=O)c1ccc2c(c1)C(=O)NC2=O 731596708 WYRURMYRKCBTGE-UHFFFAOYSA-N 408.417 -0.629 50 20 HBGD CN1CCC(N2CC[C@H](NC(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)C2)CC1 734283302 HZBBHOJXBFITTB-HNNXBMFYSA-N 413.486 -0.225 50 20 HBGD Cn1cc(N2CC[C@@H](NC(=O)NNC(=O)COc3ccccc3[N+](=O)[O-])C2=O)cn1 735583804 FTBGDWAWXHWSAI-GFCCVEGCSA-N 417.382 -0.157 50 20 HBGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1ccc(S(=O)(=O)NC)cc1 740812663 UEMNJYLTOIARTB-UHFFFAOYSA-N 406.486 -0.791 50 20 HBGD Cc1cccc(C(=O)NNC(=O)CN2CCN(C(=O)CN3CCOCC3)CC2)c1 744384981 FYXINFUCCWJPTH-UHFFFAOYSA-N 403.483 -0.768 50 20 HBGD COc1cc(CN2CC[C@H](NC(=O)NNC(=O)C(=O)NC3CC3)C2)cc(OC)c1 756105101 YIXGDNDNGOIAFT-AWEZNQCLSA-N 405.455 -0.113 50 20 HBGD Cc1ccc(C(=O)NNC(=O)COC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)cc1 762391321 PROHQDCTAFQCRY-UHFFFAOYSA-N 418.431 -0.203 50 20 HBGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)n1 763886397 XAWWPMIYKSOIPA-UHFFFAOYSA-N 416.438 -0.247 50 20 HBGD O=C1CN(c2ccc(NC(=O)C(=O)NNC(=O)CCc3ccccc3)cn2)CCN1 764192815 OFZYIDXIVGASTL-UHFFFAOYSA-N 410.434 -0.264 50 20 HBGD COC(=O)CCSc1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)c1 764427257 YNYIIEROLNVPLB-ZDUSSCGKSA-N 411.436 -0.157 50 20 HBGD CC[C@@H](OC)C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 766637115 XNAJDTSZUIWFQP-MRXNPFEDSA-N 412.512 -0.126 50 20 HBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 771970178 VCUIHGNMQWTBQR-JTQLQIEISA-N 405.411 -0.629 50 20 HBGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NCC(=O)N2CCOCC2)nc1 776637241 KLTVHMVPTVXNEM-UHFFFAOYSA-N 400.461 -0.747 50 20 HBGD O=C(NCC(=O)N1CCN(S(=O)(=O)CBr)CC1)c1cccc(O)c1 779052780 UKRWHSAXKWOKRX-UHFFFAOYSA-N 420.285 -0.052 50 20 HBGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1ccc(-n2nccn2)nc1 784003710 MKCVOCYPMGQSFN-UHFFFAOYSA-N 414.407 -0.760 50 20 HBGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)c2cc(N3CCNC(=O)C3)ccn2)c1 786763232 XYMIOXGJASYWRO-UHFFFAOYSA-N 417.447 -0.504 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccccc1N1C[C@H]2CC[C@H]1C2 790952996 VFPOMVMVFDBENF-AVGNSLFASA-N 423.495 -0.301 50 20 HBGD CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NNc1ccccc1S(=O)(=O)N(C)C 817054569 OMEXVKJYHNGDAA-CQSZACIVSA-N 411.484 -0.493 50 20 HBGD Cn1cnc(S(=O)(=O)NCC(=O)NNC(=S)NCCc2cccs2)c1 819432405 TXALYKXLCJUYGC-UHFFFAOYSA-N 402.527 -0.502 50 20 HBGD CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NNC(=O)C(=O)NC(C)C 822054514 YMGBBMODORHEDP-CYBMUJFWSA-N 423.495 -0.044 50 20 HBGD COCCN1C[C@@H](C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)CC1=O 914459396 DZECJSXOGMTADH-KRWDZBQOSA-N 417.510 -0.159 50 20 HBGD CC(C)(C)NS(=O)(=O)CCNC(=O)NNC(=O)c1nnc(O)c2ccccc12 916622442 RGMPWHNPMFJVMT-UHFFFAOYSA-N 410.456 -0.003 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C[C@H]2CCCS(=O)(=O)C2)c1 1330517815 UBOQWFYZDLLTDB-GFCCVEGCSA-N 417.509 -0.087 50 20 HBGD COc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)nn1 1779902766 WJRCTVWKMURKGE-LJQANCHMSA-N 420.470 -0.698 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)c1ccco1)CCO2 1783933377 WKDUHUYKQWBMJL-IEBWSBKVSA-N 408.455 -0.484 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1783933908 LZYKHYQUTMAPCH-HXUWFJFHSA-N 422.530 -0.529 50 20 HBGD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1)n1ccccc1=O 1784091140 KIUGQCDQYAYUGM-GVRJEKJASA-N 411.886 -0.011 50 20 HBGD C[C@@H](Cn1ccnc1)C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1784507468 VXMZIRGMOUQKEC-JXFKEZNVSA-N 420.514 -0.278 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)C3CN(C)C3)C2)C1 1784782194 NOOSDCLLXLMBND-ISXGRJCASA-N 416.482 -0.488 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C12CC(F)(C1)C2 1793423192 JMDWTKIEYIUSOT-OSWFJYAVSA-N 417.441 -0.220 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC=CO1)C2)c1cccc(B(O)O)c1 1795739108 OHINAEURVAIRKV-MVJTYMMSSA-N 400.240 -0.738 50 20 HBGD CC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)CC)C2 1799263646 RRFAFTGESVSJJE-HPCHECBXSA-N 409.936 -0.079 50 20 HBGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1 1837275073 DGDRYYOIBHAFCV-YVEFUNNKSA-N 414.894 -0.207 50 20 HBGD O=C1C[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)[C@@H](F)Br)CCO3)C2)CN1 1839202753 OVENVUIQDXJBSZ-NVBFEUDRSA-N 422.251 -0.731 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)ncn3)C2)C1 1840150447 KWHYWWUJFNQAGU-YVEFUNNKSA-N 414.846 -0.494 50 20 HBGD CC[C@H](Br)C(=O)N1CCCC12CN(C(=O)CN(CCO)CCO)C2 1846072399 WSKHKHXFHQXSAQ-ZDUSSCGKSA-N 406.321 -0.350 50 20 HBGD COCCn1ccc(C(=O)N2CC3(CCCN3C(=O)CCC(=O)NN(C)C)C2)n1 1846384816 MFIREMSDWYRKPL-UHFFFAOYSA-N 406.487 -0.281 50 20 HBGD COc1ccc(CCC(=O)NNC(=O)CNS(=O)(=O)c2cn(C)c(C)n2)cc1 725890748 YNAIOJAHOHTBQK-UHFFFAOYSA-N 409.468 -0.204 50 20 HBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CCCN1C(=O)CN(C)C1=O 726089379 OHLOZMALKNPATQ-UHFFFAOYSA-N 424.483 -0.277 50 20 HBGD O=C(NNC(=O)N1CCOCC1)c1ccc(S(=O)(=O)N=c2cc[nH]cc2)cc1 745986197 MZJBNKVDOVSWQT-UHFFFAOYSA-N 405.436 -0.009 50 20 HBGD NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)NNC(=O)NCc3ccco3)CC2=O)c1 746167101 OKADXFBYVIBVOP-NSHDSACASA-N 421.435 -0.190 50 20 HBGD CCN1CCN(c2ccc(CNC(=O)NNC(=O)C(=O)N3CCCC3)cn2)CC1 748454443 UVJQPSVUCIGVFV-UHFFFAOYSA-N 403.487 -0.324 50 20 HBGD C[C@@H](C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)N1CCN(c2ccc(F)cc2)CC1 758049416 ZNADGSJRSKTCGT-OLZOCXBDSA-N 415.491 -0.579 50 20 HBGD CN(C)N(C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CCS(=O)(=O)C1 766246663 DWOVTMZAJCPSAR-LBPRGKRZSA-N 414.509 -0.393 50 20 HBGD C[C@@H]1CN(CCC(=O)NNC(=O)CNC(=O)CNC(=O)OC(C)(C)C)C[C@@H](C)O1 767148181 NCUIREXJXQTSAG-CHWSQXEVSA-N 415.491 -0.726 50 20 HBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)COc1ccc(S(N)(=O)=O)cc1 772066574 XWLNEAREYWQORL-LLVKDONJSA-N 401.441 -0.162 50 20 HBGD CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)NNC(=O)CO)CC2=O)cc1 777781944 JINAGJIXKDNHMV-GFCCVEGCSA-N 412.468 -0.790 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1cccnc1OCC(F)F 784002847 UYWVXPODPPLYEM-UHFFFAOYSA-N 411.321 -0.166 50 20 HBGD CCc1c(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cnn1C(CC)CC 792268863 OFKURMUVTANAKB-JTQLQIEISA-N 416.504 -0.170 50 20 HBGD CCOC(=O)COc1ccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1 800559896 KEUNOMQUYLDXCR-JTQLQIEISA-N 402.429 -0.281 50 20 HBGD COc1cc(C)c(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c(C)c1C 806978239 SHWPKHIXUYUZDM-LLVKDONJSA-N 400.457 -0.356 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NN=C2CC(NC(=O)OC(C)(C)C)C2)n(C)c1=O 814876785 CVTQZBWVUZOPRO-UHFFFAOYSA-N 419.442 -0.407 50 20 HBGD Cc1cc(C)cc(OCC(=O)NNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c1 914878845 PVXXYJZEEKBRTP-GJZGRUSLSA-N 423.491 -0.135 50 20 HBGD CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)CN2CCCC2=O)c1 920826640 QHZMBATXKUGJRU-UHFFFAOYSA-N 402.860 -0.026 50 20 HBGD Cc1nc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cn1C 1115960439 SJHNVVUWWAOINV-UHFFFAOYSA-N 401.470 -0.398 50 20 HBGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)NC[C@H]2COC3(CCOCC3)O2)c1 1337310501 YZDFBXDCCWUSEZ-ZDUSSCGKSA-N 413.452 -0.044 50 20 HBGD Nc1n[nH]c(CCC(=O)N2CC[C@@]3(CN(C(=O)CCBr)CCO3)C2)n1 1778847229 JZCDVMKJXAKGIW-HNNXBMFYSA-N 415.292 -0.066 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3cccnc3)CCO2)C1 1779028576 MVLKXMJUAPHGQW-FQEVSTJZSA-N 410.434 -0.163 50 20 HBGD COC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779029273 QDHAUXYJHLXHNU-IBGZPJMESA-N 405.455 -0.446 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1781227998 TUGINHACWTVPKY-HZPDHXFCSA-N 406.314 -0.107 50 20 HBGD C=C(CC(=O)OCC)C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1781271469 BRZFLRITEXLDMI-FQEVSTJZSA-N 424.498 -0.301 50 20 HBGD CCNC(=S)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](Cl)COC)CCO2 1782647465 VXMMUAAZFXTVMR-BLLLJJGKSA-N 406.936 -0.446 50 20 HBGD CCCC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784091598 YLGVPKLBYVTZAN-LXFSFDBISA-N 403.907 -0.129 50 20 HBGD C=CC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](Cl)COC)[C@H]2C1 1791255687 YLDPWXDGJCTTMI-FQKPHLNHSA-N 401.891 -0.089 50 20 HBGD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)nc2nccn12 1792983472 IYLOZDBCDQQFKK-AYRXBEOTSA-N 407.858 -0.159 50 20 HBGD O=C(CS(=O)(=O)N1CCCC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)CCl 1793110074 KBEDTLBGPNXKMM-CRWXNKLISA-N 407.920 -0.350 50 20 HBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN 1795525354 CRVLQXHXEXWXNO-DPIQGUFMSA-N 406.395 -0.318 50 20 HBGD CNc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)cc1 1795734279 AQJUOYHLOVUHID-XEMDLRDOSA-N 423.278 -0.075 50 20 HBGD COC(=O)CSCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796189792 AZIWVOYSKZZHEE-MUJYYYPQSA-N 420.296 -0.476 50 20 HBGD CSCC[C@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796192039 DGIVEMCWSVFETK-YVSFHVDLSA-N 406.313 -0.268 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)Cn3cnnn3)CC2)CC1 1834875889 LVHMYXFIYMYTPT-OAHLLOKOSA-N 413.910 -0.502 50 20 HBGD COCCOCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](Cl)COC)C2)C1 1835247966 FQYPDKXNHZNVGQ-WMLDXEAASA-N 408.879 -0.640 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncnn3C)C2)C1 1840150034 DYWIWOGTQONSSS-WBMJQRKESA-N 401.851 -0.861 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2cc(CO)on2)C1 1844820769 SOMLKTMLPUTJQP-UHFFFAOYSA-N 400.395 -0.704 50 20 HBGD COC(=O)C1(C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)CC1 1846017933 STPVIQDHELGKRN-UHFFFAOYSA-N 401.423 -0.545 50 20 HBGD Cc1cc(NC(=O)CC(=O)N2CC3(CCCN3C(=O)CCC(=O)NN(C)C)C2)no1 1846384811 LGPCCIVDWZOYHR-UHFFFAOYSA-N 420.470 -0.112 50 20 HBGD Cn1c(=O)c2c(ncn2CCC(=O)NNC(=O)c2cc3c(s2)CCC3)n(C)c1=O 16231169 WHQDJTAAMJDBJX-UHFFFAOYSA-N 416.463 -0.165 50 20 HBGD CNS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)Cc2nc(C)cs2)o1 728722452 PUMMMNPHALGMDK-UHFFFAOYSA-N 416.437 -0.500 50 20 HBGD CCS(=O)(=O)N1CCC[C@@H](C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)C1 728846948 XMLQTOANSQIZBW-OAHLLOKOSA-N 424.527 -0.098 50 20 HBGD COc1cc(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)ccc1OCC(N)=O 731853591 JZAIBBCIKIOXGS-UHFFFAOYSA-N 411.378 -0.390 50 20 HBGD Cn1cc(N2CC[C@H](NC(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)C2=O)cn1 735512706 PINVNEBRZFEVDJ-AWEZNQCLSA-N 410.398 -0.855 50 20 HBGD O=C(COCc1ccccc1)NNC(=O)NCCS(=O)(=O)N1CCSCC1 738472936 VOYJDGJUXAXQOI-UHFFFAOYSA-N 416.525 -0.088 50 20 HBGD CCOc1ccccc1OCC(=O)NNC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 742472313 ZZILBHMKLAIJLG-DTDBQYNISA-N 417.418 -0.226 50 20 HBGD CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NNC(=O)[C@@H]1COCCO1 744643462 VNTMACSVUQVLMP-KOLCDFICSA-N 416.412 -0.398 50 20 HBGD NS(=O)(=O)c1cccc(N2C[C@H](C(=O)NNC(=O)Cc3ccncc3)CC2=O)c1 747429927 VYYRGQBZWRLRBK-CYBMUJFWSA-N 417.447 -0.528 50 20 HBGD CC(=O)NC[C@H]1CCn2ncc(C(=O)NNC(=O)CCN3C[C@H](C)O[C@H](C)C3)c2C1 754173411 DRGSAPHRXZONTE-LZWOXQAQSA-N 420.514 -0.158 50 20 HBGD Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NNC(=O)C(=O)Nc3ccccn3)C2=O)cc1 758834410 OBNLAYAJDZTUGA-FQEVSTJZSA-N 424.417 -0.057 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2nocc2C)cc1 763731920 BVAXXZKSOTXVIG-UHFFFAOYSA-N 409.424 -0.302 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2ccc(-n3cncn3)cc2)n(C)c1=O 764812382 JWNSUOFDRMCUFH-UHFFFAOYSA-N 407.394 -0.835 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccccc2C(F)(F)F)n(C)c1=O 766644113 OAGJZHAJVPAUIY-UHFFFAOYSA-N 424.339 -0.086 50 20 HBGD COc1nc(O)cc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)n1 770519068 MYVWSWIQUBUHNQ-LBPRGKRZSA-N 404.335 -0.665 50 20 HBGD CO[C@H](C)CS(=O)(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 788138455 BYUCTPWJWLMSPM-GFCCVEGCSA-N 421.497 -0.693 50 20 HBGD CS(=O)(=O)NCC1CCN(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 796253319 HFRZMIONRGWKHN-UHFFFAOYSA-N 413.456 -0.383 50 20 HBGD COc1ccc(C(=O)N2CCC[C@H]2C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 798929036 KERMQOYCHZSNQC-ZFWWWQNUSA-N 424.479 -0.183 50 20 HBGD Cn1nncc1NC(=O)C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 810385388 QPNDLTMBXIAPJM-UHFFFAOYSA-N 400.443 -0.887 50 20 HBGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 912947083 BKRINOJRTRIDDU-HUBLWGQQSA-N 423.447 -0.991 50 20 HBGD O=C(NNC(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1)N[C@@H]1CCS(=O)(=O)C1 919883758 CIMDBQAAWRHXCK-HZPDHXFCSA-N 422.507 -0.015 50 20 HBGD O=C(NNC(=O)[C@]1(F)CCOC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 1258436952 LIWDKRZCPYUCPP-INIZCTEOSA-N 401.416 -0.403 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccn(C)c1=O)CCO2 1783933501 MIZWKKIMJMBSKS-FQEVSTJZSA-N 419.482 -0.798 50 20 HBGD O=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCBr)CCN1 1795116940 HECOULBWBNURIY-OHTBPHCPSA-N 402.289 -0.113 50 20 HBGD O=C(c1cnc(Cl)nc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1829514265 TWPDRZDGMWSWCT-LRDDRELGSA-N 419.265 -0.200 50 20 HBGD CC(C)CNC(=O)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833310173 AUBMXWRUQUZNBY-INIZCTEOSA-N 416.950 -0.070 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(N)=O)C2)C1 1839156544 SSRJVPTWJOCRKZ-GJZGRUSLSA-N 411.286 -0.653 50 20 HBGD CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1839879104 OZZVWVBXTZOJRR-RDTXWAMCSA-N 415.563 -0.181 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)N(C)C)C2)C1 1840032296 UKOAYAZDPOXRKQ-XHDPSFHLSA-N 406.277 -0.686 50 20 HBGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840044038 IXLMCQUSOOPZOK-NHYWBVRUSA-N 403.229 -0.686 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc[n+]([O-])c3)C2)C1 1840151037 VHMRSAYXBZCLLX-CRAIPNDOSA-N 413.858 -0.356 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCn3cncn3)C2)C1 1840155399 AQOPJYBQAPOYGJ-PBHICJAKSA-N 415.878 -0.622 50 20 HBGD O=C1CCCN1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840187930 GBOOHQAWGBCZNQ-MRXNPFEDSA-N 408.282 -0.131 50 20 HBGD CCOC(=O)/C=C/C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1842625479 JOSYVCWLWXENBU-SNAWJCMRSA-N 401.423 -0.379 50 20 HBGD COCCOCC(=O)N1CCCC12CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1842775807 OWPSKRSQSKSIDL-KGENOOAVSA-N 405.455 -0.013 50 20 HBGD CN(C)S(=O)(=O)N1CCN(C(=O)NNC(=O)Cn2ccc3ccccc32)CC1 729510404 CIEIWENCUIQSBE-UHFFFAOYSA-N 408.484 -0.194 50 20 HBGD CC(C)n1nc(C(=O)NNC(=O)Cn2[nH]cc3c(=O)ncnc2-3)c2ccccc2c1=O 730516590 JTZOKJMLCFOTTR-UHFFFAOYSA-N 422.405 -0.177 50 20 HBGD COC(=O)c1cc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc(C(=O)OC)c1 756031970 MWMAYXPSBWZSNA-QMMMGPOBSA-N 416.412 -0.650 50 20 HBGD N#Cc1ncccc1S(=O)(=O)N1CCN(S(=O)(=O)CBr)CC1 758136021 LKCUPENSAGFANK-UHFFFAOYSA-N 409.287 -0.058 50 20 HBGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)c(O)c1 764108671 DAMNPABMBUTSQQ-UHFFFAOYSA-N 410.390 -0.015 50 20 HBGD CNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)CCc2ccco2)c2ccccc2O1 764171204 HWXUDEDRLVHIDV-OAHLLOKOSA-N 400.391 -0.100 50 20 HBGD C[C@H](C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1)S(=O)(=O)C1CCOCC1 767496661 URXWXFLEZCQXHW-GFCCVEGCSA-N 423.447 -0.155 50 20 HBGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNC(=O)N2CCOCC2)[C@@H](C)O)cc1 779505169 GNWJAAJRRHXLHG-TZMCWYRMSA-N 400.457 -0.904 50 20 HBGD C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N1CCN(S(=O)(=O)CBr)CC1 779545952 VNSKPEOPBKELED-ONGXEEELSA-N 412.306 -0.912 50 20 HBGD Cn1ccc(N2CCC[C@@H](NC(=O)NNC(=O)CNC(=O)OC(C)(C)C)C2=O)n1 781419484 JVIDEXMFEHISMU-LLVKDONJSA-N 409.447 -0.229 50 20 HBGD CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 795528782 YKGPRGSXGCRKEV-NWDGAFQWSA-N 420.488 -0.470 50 20 HBGD CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)NNC(=O)C(=O)Nc2ccccn2)=NO1 798977232 PLAZBCRUGAYCGC-SNVBAGLBSA-N 406.399 -0.163 50 20 HBGD O=C(CS(=O)(=O)CCCc1ccccc1)NNC(=O)[C@H]1CCS(=O)(=O)C1 915283278 ZWMVQVXAHNIVEC-AWEZNQCLSA-N 402.494 -0.384 50 20 HBGD Cc1cc(O)cc2c1C(=O)C(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)O2 915958495 HSAUYCMZMVCNKG-UHFFFAOYSA-N 405.392 -0.710 50 20 HBGD NS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)ccc1F 916144647 LLIXQAFDCUDYFA-UHFFFAOYSA-N 405.371 -0.476 50 20 HBGD CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)O1 1320041523 MRDZFYBQOFICFB-OCCSQVGLSA-N 412.468 -0.330 50 20 HBGD O=C(c1cc(=O)n2[nH]cnc2n1)N1CCO[C@@]2(CCN(C(=O)C(Cl)Cl)C2)C1 1783947560 VGNBQOGRXFOUDT-OAHLLOKOSA-N 415.237 -0.335 50 20 HBGD O=C(Cn1ccnn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1787122258 CXKHLDAENPVNHZ-ZPFDUUQYSA-N 404.240 -0.052 50 20 HBGD C=CC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1788758210 XRMIQNSZTFNRNP-VGWMRTNUSA-N 423.514 -0.970 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cccnn1 1788854206 FDWXFIFKDOUIAH-ZVZYQTTQSA-N 410.239 -0.937 50 20 HBGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3nc(N)n[nH]3)C[C@@H]21 1791255409 QOUFMXCTSCLCFH-CYDGBPFRSA-N 414.894 -0.447 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC[C@H]3CCC(=O)N3C1)C2)[C@H](O)CCl 1792978570 GHNOXNPYXIDJLZ-DFGCRIRUSA-N 413.902 -0.423 50 20 HBGD CC[C@@H](C)[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797748664 QQURPFVAUZZFLZ-XIUQWWLSSA-N 419.482 -0.705 50 20 HBGD C[Si](C)(C)OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@H](N)C(N)=O)C2 1797954725 CMEQDWBXLGQOMQ-ZWUHOBOKSA-N 400.552 -0.980 50 20 HBGD CN[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Br)C(=O)O 1799346571 RLKSKBKXBRMXRP-VNJKPEEASA-N 410.240 -0.671 50 20 HBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@](C)(Cl)CCl)C2)C(=O)C(=O)O 1800261686 VTEJFXJJKMPFHE-DXCMXYRUSA-N 424.281 -0.645 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 1800793397 CUAHFAGGXAVOEM-XPYFFNBCSA-N 408.499 -0.484 50 20 HBGD CNC(=O)CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827049314 QYIDUVIWOKASIC-GOSISDBHSA-N 415.299 -0.264 50 20 HBGD O=C(C1CC(O)C1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839198500 FZHKXGQPTLBHPW-KQFUTBAXSA-N 409.252 -0.096 50 20 HBGD Cc1nc(S(=O)(=O)NCC(=O)NNC(=O)c2ccc3c(c2)OCCO3)cn1C 116505908 NQACTXVHXNINBU-UHFFFAOYSA-N 409.424 -0.761 50 20 HBGD CC(C)NS(=O)(=O)c1cccc(CNC(=O)NNC(=O)C(=O)N2CCCC2)c1 748454438 UJTYMTLKBBGDFV-UHFFFAOYSA-N 411.484 -0.174 50 20 HBGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(OCC(N)=O)cc1 763663702 YEBXBPAJQNWMFC-UHFFFAOYSA-N 416.390 -0.276 50 20 HBGD CCCNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)Cc2cc[nH]n2)c2ccccc2O1 764292592 FKQIXVBTWDPUBQ-HNNXBMFYSA-N 414.422 -0.580 50 20 HBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)N[C@@H](C)[C@H]1CN(C)CCO1 769953987 MOJOPZOEVJLKRS-WCQYABFASA-N 412.516 -0.049 50 20 HBGD CCn1cc(CC(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)cn1 781932287 LEZMHVZRJYFZST-UHFFFAOYSA-N 407.500 -0.080 50 20 HBGD Cc1cccc(C(=O)NNC(=O)N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)n1 793227336 RNBNRDVLKRWMQO-UHFFFAOYSA-N 421.483 -0.207 50 20 HBGD CN(C)c1c(C=NNC(=O)c2nn(-c3ccccc3)cc2O)c(=O)n(C)c(=O)n1C 807956456 SDYDTVTVMGGGMO-UHFFFAOYSA-N 411.422 -0.195 50 20 HBGD CN(Cc1ccccc1S(N)(=O)=O)C(=O)NNC(=O)CNC(=O)c1ccco1 814295117 QJFLQGWORHTOFO-UHFFFAOYSA-N 409.424 -0.470 50 20 HBGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 815621901 GRSFZZGIIZANDR-TXEJJXNPSA-N 409.443 -0.207 50 20 HBGD COCCN1C(=O)CCc2cc(NC(=O)C(=O)NNC(=O)[C@H]3CCCO3)ccc21 815779970 DQJHVQZCTUMZIK-OAHLLOKOSA-N 404.423 -0.123 50 20 HBGD O=C(NNC(=O)[C@H]1CCCO1)c1cccc(C(=O)NNC(=O)[C@H]2CCCO2)c1O 817216391 YWSOMVKAHHAUGX-CHWSQXEVSA-N 406.395 -0.728 50 20 HBGD COc1ccc(N2C[C@@H](C(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)CC2=O)cc1 919888212 AVIUNCNOFPCSRO-RYUDHWBXSA-N 410.452 -0.434 50 20 HBGD CS(=O)(=O)N1CCC[C@@H](NC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)C1 920240470 UQMYNQBXHZPAIZ-GFCCVEGCSA-N 422.467 -0.054 50 20 HBGD O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)c1n[nH]c2c1CCCC2 1329852311 GGYHNCNJNOICER-UXOAXIEHSA-N 401.423 -0.398 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCC=CO3)C2)C1 1778984736 HFDYQKDFYRVQOX-UZLBHIALSA-N 415.450 -0.179 50 20 HBGD O=C(c1c(O)cc(O)cc1O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1781809551 QKMOIGZTRMMWCJ-GUYCJALGSA-N 400.815 -0.153 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(N)=O)C2 1782213499 WLAOAWJMMDLGKB-AUUYWEPGSA-N 411.503 -0.861 50 20 HBGD COCCOCCOCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1783664048 XEQOYDQNUWIGHZ-CRAIPNDOSA-N 422.906 -0.514 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCOC3)C2)C1 1784719777 KMVRBSXBILLFDM-CYUAJQNPSA-N 417.466 -0.013 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(F)CC3)[C@H]2C1 1790714087 UCQZWMGAHSRQSM-CQDKDKBSSA-N 405.430 -0.220 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)[C@@H]1CCCO1 1791032450 URJAONXLHNUQKU-DKIMLUQUSA-N 402.256 -0.861 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cnc[nH]3)C[C@@H]21 1791288065 SMUSNWLBBUXQGJ-XIRDDKMYSA-N 420.514 -0.305 50 20 HBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)CCl 1793111342 DRENBACWRHXDRS-AICCOOGYSA-N 404.847 -0.281 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCOC1=O)c1ccc(B(O)O)cc1 1793350720 NULGOOODQLGXHC-MUJYYYPQSA-N 401.228 -0.930 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@H](N)C(N)=O 1795635689 HLPQOKKRJFLXEY-NWPKGIRNSA-N 409.314 -0.595 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(F)(F)Cl)C2)c1ccc(B(O)O)cc1 1795737152 XUDRANFKZFGIKL-PTEHBNRSSA-N 402.590 -0.599 50 20 HBGD C[C@H](Br)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)CNC1=O)C2 1801958751 LFEBOJJDRQTHFV-MMWGEVLESA-N 401.261 -0.040 50 20 HBGD O=C(COCCO)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1822984984 REHDAXIFXYUPIJ-CYBMUJFWSA-N 419.268 -0.942 50 20 HBGD O=C1CN(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H](O)CCl)CC2)C(=O)N1 1824966992 DHQHDIKJZAPGHS-KBPBESRZSA-N 414.890 -0.242 50 20 HBGD CN(CC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](O)CCl)CC1)C(=O)C(=O)O 1831160301 GIYAMPKGNZRPAP-KBPBESRZSA-N 417.890 -0.251 50 20 HBGD C[C@H](CN)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834801031 IUGXZRNDARHDHX-OAHLLOKOSA-N 416.331 -0.854 50 20 HBGD NC(=O)CC[C@H](N)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836716892 WSLIBITVPRIJFM-GJZGRUSLSA-N 418.922 -0.823 50 20 HBGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)CCl)C2)C1)n1cnnn1 1840474513 VGOMCGONVIHXML-CXAGYDPISA-N 414.894 -0.045 50 20 HBGD C[C@@H](CBr)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)N1CCOCC1 1847498912 RTDOLWPHZXDGMO-ABHRYQDASA-N 404.305 -0.130 50 20 HBGD Cc1nc2ccccn2c1C(=O)NNC(=O)NCCS(=O)(=O)N1CCOCC1 52140961 NPZPOGJMRMEZAF-UHFFFAOYSA-N 410.456 -0.751 50 20 HBGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1nc2ccccc2n1C 730569321 UTIYPWLSAKQCGL-UHFFFAOYSA-N 401.452 -0.002 50 20 HBGD CN1CCN([C@H](C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c2ccccc2)CC1 732062978 ZBMALFLOSMPXJR-CVEARBPZSA-N 409.512 -0.507 50 20 HBGD CCOc1cccc(NC(=S)NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)c1 742981880 IWHSEJGUABKXAY-UHFFFAOYSA-N 424.508 -0.012 50 20 HBGD C[C@H](C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 744349997 PDFFVQXYYGZRMP-OJGWYHNPSA-N 402.363 -0.093 50 20 HBGD Cc1ccc(OCC(=O)NNC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)cc1 746096069 OHWTXOGKZBQMDQ-UHFFFAOYSA-N 410.408 -0.808 50 20 HBGD CS(=O)(=O)N1CCN(CC(=O)NNC(=O)c2cnn(-c3ccccc3)c2)CC1 759446642 CIEZVIDSVKFBPZ-UHFFFAOYSA-N 406.468 -0.790 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(Br)c1 764230725 KKQGONPRWUHWQT-ZETCQYMHSA-N 407.246 -0.527 50 20 HBGD Cc1cccc(N2CCN(S(=O)(=O)CC(=O)NNC(=O)c3cc(C)[nH]n3)CC2)c1 768279542 YRKVOQYFCHSNKR-UHFFFAOYSA-N 420.495 -0.060 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CCC(=O)c1ccc2c(c1)CCC(=O)N2 768708174 YERBNCIFUASBKG-JTQLQIEISA-N 410.452 -0.381 50 20 HBGD O=C(Cn1[nH]cc2c(=O)ncnc1-2)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772888805 NFFBLOVAWNSBCO-UHFFFAOYSA-N 403.786 -0.812 50 20 HBGD CC(C)(C)OC(=O)NCC(=O)NNS(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 777940172 XHACYSAQUUEFRF-UHFFFAOYSA-N 419.481 -0.149 50 20 HBGD CN(NC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)C(N)=O 778412013 JLPRLWDTPZEFAQ-UHFFFAOYSA-N 411.440 -0.189 50 20 HBGD NC(=O)c1cccc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)n1 781723039 AASLVENDDJGJCA-AWEZNQCLSA-N 400.347 -0.675 50 20 HBGD C[C@H](c1ccc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)cc1)N1CCOCC1 784002542 GQMLIGRIGDKPFK-CQSZACIVSA-N 417.466 -0.212 50 20 HBGD Cn1cc(S(=O)(=O)NCC(=O)NNC(=O)NCc2ccc(Cl)cc2)cn1 787432819 CSBSWBXRRGEVIX-UHFFFAOYSA-N 400.848 -0.118 50 20 HBGD Cc1nc(CC(C)C)oc1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 789812570 CTTHJDSBCINLJG-UHFFFAOYSA-N 417.426 -0.610 50 20 HBGD CCOC(=O)c1cc(S(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)ccc1C 795289973 JFAYGUNLUXQZAK-LLVKDONJSA-N 404.466 -0.084 50 20 HBGD O=C(C[C@H]1CCCC(=O)N1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 807924479 KEMHVJBXBZENNR-CQSZACIVSA-N 424.479 -0.473 50 20 HBGD C[C@@H](Cn1ccnc1)NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 916623150 GNAYDZIJEQVNHF-AWEZNQCLSA-N 422.515 -0.071 50 20 HBGD CCn1nc(C(C)C)cc1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 1319303827 VEBUYKZWCDDDCN-UHFFFAOYSA-N 416.442 -0.765 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)Cc3cc[nH]n3)CCO2)C1 1779037068 MGRNCVFWACBQAT-IBGZPJMESA-N 413.438 -0.906 50 20 HBGD O=C1CC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCBr)CN1 1795112991 IFMNYNGCNDQDAQ-MCYUEQNJSA-N 402.289 -0.113 50 20 HBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1ccccc1=O 1796222827 UGSOKDBHUQXVBU-QDMKHBRRSA-N 424.461 -0.201 50 20 HBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cocn1)C2 1797749767 QELSFQDUKFCVHO-QHBPRCKVSA-N 400.395 -0.810 50 20 HBGD CC(C)(O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797750677 NEOPQFNIXFUELV-DRXBFXEBSA-N 405.455 -0.951 50 20 HBGD CCO/C=C/C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797753907 AGAOOGHEVVNMQG-HJAOZXKASA-N 403.439 -0.562 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 1801011142 HMRNJVCTZPQTEU-IVWMJMPLSA-N 421.454 -0.931 50 20 HBGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)[C@@H]1C=CCN1 1808216686 YCNWPNUKLBYUEN-YZGWKJHDSA-N 420.278 -0.391 50 20 HBGD C[C@H](O)C(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810304356 CWKWATLLPPYAGX-RVSPLBMKSA-N 412.450 -0.220 50 20 HBGD O=C(c1ccc([N+](=O)[O-])o1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1829480786 FNDFDNSKVVXMIL-BZNIZROVSA-N 417.802 -0.143 50 20 HBGD O=C(c1ccc([N+](=O)[O-])o1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1829480788 FNDFDNSKVVXMIL-ZBEGNZNMSA-N 417.802 -0.143 50 20 HBGD CC1CCN(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)CC1 1830726150 OFEOBYVDXGQKCF-APWZRJJASA-N 417.934 -0.226 50 20 HBGD O=C(c1ccncc1F)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830727776 DSIDGJANXRZAMG-WMLDXEAASA-N 401.822 -0.110 50 20 HBGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CC(=O)NC)CCO2)C1 1831279203 GHMRGZLWUQARCD-LRDDRELGSA-N 420.304 -0.248 50 20 HBGD CC(=O)N[C@@H](C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2)C(C)(C)C 1841496819 BWYUTGZOMKLGIT-KRWDZBQOSA-N 415.299 -0.266 50 20 HBGD O=C(COCC(=O)NNC(=O)c1ccc2c(c1)OCCO2)NCc1cccnc1 727765553 KYCCHUOGYYYFCN-UHFFFAOYSA-N 400.391 -0.053 50 20 HBGD Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 732307496 HLWPHTHFHJTEHP-RYUDHWBXSA-N 403.482 -0.756 50 20 HBGD CN1CCN(C)[C@H](CNC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)C1 732475063 RTNGIAVYPGVYFO-LJQANCHMSA-N 417.558 -0.225 50 20 HBGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 742478059 MOZCYXSDIDCSPS-LRZXTXFSSA-N 405.382 -0.097 50 20 HBGD CCc1ccccc1OCC(=O)NNC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 743282351 LAQOPZCPFQVHTM-KNCCTNLNSA-N 401.419 -0.062 50 20 HBGD CNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2F)cc1 763681158 LIBLGUZEQKHNGM-UHFFFAOYSA-N 424.410 -0.101 50 20 HBGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)N1C[C@H](C(=O)OC)Oc2ccccc21 764401367 VTPKOLKVXYITMV-SMDDNHRTSA-N 409.395 -0.848 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cccc3c2ccn3C)n(C)c1=O 766644662 PBOBOBZRLLHCMO-UHFFFAOYSA-N 409.406 -0.613 50 20 HBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)C1(O)CCC1 771913557 LPVPDQGPOBALDD-UHFFFAOYSA-N 411.480 -0.298 50 20 HBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 771984743 KMOHGXIARILJEZ-SNVBAGLBSA-N 405.411 -0.629 50 20 HBGD CN(CCNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1cccs1 772631129 QZKZDXTWRVGCBP-ZDUSSCGKSA-N 410.543 -0.250 50 20 HBGD C[C@H]1CCC(=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)[C@@H](n2cncn2)C1 794489003 VWSKBNIGKFYSNT-JQWIXIFHSA-N 406.472 -0.304 50 20 HBGD CO[C@H](C(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)c1cnn(C)c1 798833484 GXWKYMXBMBAICR-LBPRGKRZSA-N 401.832 -0.130 50 20 HBGD CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NNC(=O)N2CCOCC2)c1 800834285 SZFADMFJCLBTTB-UHFFFAOYSA-N 420.513 -0.048 50 20 HBGD Cc1n[nH]cc1CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 916578752 UHTCNRQYUHWKIB-UHFFFAOYSA-N 422.467 -0.117 50 20 HBGD CS(=O)(=O)c1cccc(NNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c1 1324939637 QZUMRNMQQWFESM-AAEUAGOBSA-N 415.493 -0.431 50 20 HBGD O=C(CN1CCSCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1783496671 NYERZPJFFVQILP-XQLPTFJDSA-N 405.948 -0.385 50 20 HBGD COCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1783925212 RQMMJERLIRGSAS-JQFCIGGWSA-N 419.482 -0.295 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1ccc(O)cn1)CCO2 1783937079 FRPGFICFLCQMDS-FQEVSTJZSA-N 419.482 -0.467 50 20 HBGD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1)n1ccccc1=O 1784091143 KIUGQCDQYAYUGM-QXKUPLGCSA-N 411.886 -0.011 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=COCC3)C[C@@H]21)c1cccc(B(O)O)c1 1786986698 ZUISUQRTSVANGO-WBAXXEDZSA-N 400.240 -0.736 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1Cc3ccccc3CN1)C2)[C@H](O)CCl 1792978358 SCXRVXCMRHNGQT-CWQOZTLDSA-N 407.898 -0.110 50 20 HBGD CCS(=O)(=O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CO[Si](C)(C)C 1797953642 BDUPIKSTZUDNLZ-YWVIFJGQSA-N 406.577 -0.138 50 20 HBGD Cn1cccc1C(=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1803098530 PLJZPXVEQUONIS-BJWYYQGGSA-N 409.251 -0.160 50 20 HBGD O=C(c1cc(=O)n2[nH]cnc2n1)N1CCC2(CCCN(C(=O)[C@H](O)CCl)C2)CC1 1805518957 JOMPHZZUFUPZRT-CYBMUJFWSA-N 422.873 -0.138 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cccn3)CCO2)C1 1836174049 LKNSPEDOYZFCJX-WMLDXEAASA-N 400.863 -0.407 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 1839142568 SBEJBXKVZCUJDN-PRXAMGSTSA-N 416.862 -0.942 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3ccnn3)C2)C1 1840155397 AQNYAPGNQVAGNE-KEYYUXOJSA-N 415.878 -0.451 50 20 HBGD CCOCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1840525018 NUZLLOAPAWYWHC-LJQANCHMSA-N 414.503 -0.758 50 20 HBGD O=C(c1ccc2ncnn2c1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011622 WXMATQWDLCSHQI-UHFFFAOYSA-N 405.223 -0.460 50 20 HBGD COc1ccc([C@@H](O)C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)cc1 1843012981 WKJLJRCUIQCWFD-LJQANCHMSA-N 424.262 -0.074 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1cn3ncccc3n1)C2 1844264356 KDAXWVJFTSEHCM-UHFFFAOYSA-N 420.433 -0.141 50 20 HBGD CC(C)NC(=O)CNC(=S)NNC(=O)Cc1csc(N2CCOCC2)n1 727270464 MPDQRQNVCXHNAK-UHFFFAOYSA-N 400.530 -0.458 50 20 HBGD COc1ccc(C(=O)NCC(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)cc1[N+](=O)[O-] 728178003 NZRSICJTAYCDKU-GFCCVEGCSA-N 414.440 -0.175 50 20 HBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(CN2CCN(C(C)=O)CC2)cc1 764316650 CJTOYLBEBCAFEX-UHFFFAOYSA-N 405.455 -0.527 50 20 HBGD COc1ccccc1OCC(=O)NNC(=O)NCCNS(=O)(=O)c1cccnc1 772972569 BYQAZQCAPOBMNI-UHFFFAOYSA-N 423.451 -0.222 50 20 HBGD CCCCOc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cn1 773496472 MSEARYOWJYUZEZ-JTQLQIEISA-N 401.445 -0.716 50 20 HBGD C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 792854371 JPPYDUKWIVZGNW-OCCSQVGLSA-N 414.509 -0.283 50 20 HBGD COC(=O)Cn1ncc(NC(=O)C(=O)NNC(=O)COCc2ccccc2)c1C 797008577 ZLOSSPQINJGPSP-UHFFFAOYSA-N 403.395 -0.333 50 20 HBGD CSc1c(F)cccc1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 797940417 PGGHUBOKDHCXMI-UHFFFAOYSA-N 420.426 -0.244 50 20 HBGD CCc1oc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1C(=O)OC 800814735 WQWZCUOFOKSNFO-UHFFFAOYSA-N 416.394 -0.474 50 20 HBGD COC(=O)c1cn(CCNC(=O)NNC(=O)Cc2nc3ccccc3n2C)nn1 807251301 KVXIQVJMDXFLDI-UHFFFAOYSA-N 400.399 -0.476 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@H]2CCCCCC(=O)C2)n(C)c1=O 813486606 ABRXNRYYUWVCRR-NSHDSACASA-N 404.427 -0.879 50 20 HBGD O=C(COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)NNC(=O)c1cccs1 821698091 MYBJZOKQKWSWFB-UHFFFAOYSA-N 422.444 -0.209 50 20 HBGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)NNC(=O)c1ccc2c(c1)OCCO2 918779126 BIJDZLBVONRAQM-UHFFFAOYSA-N 424.377 -0.278 50 20 HBGD COCC(=O)NCCC(=O)NN(C)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1338359195 PSWZAXYTACOKJX-UHFFFAOYSA-N 401.464 -0.225 50 20 HBGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1778781571 GBPVNVRUZUCFGV-IUODEOHRSA-N 422.276 -0.334 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3ncccn3)CCO2)C1 1779031217 NVGKLYBQBDNRCI-LJQANCHMSA-N 411.422 -0.768 50 20 HBGD CCC(=O)C(=O)N1CC[C@]2(C1)CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)CCO2 1783088795 PUZNXXVUIFRSLT-IOVUBPJKSA-N 403.439 -0.071 50 20 HBGD CC(=O)C[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791293196 NBIXMEPSZXMZAA-IWCQGFGOSA-N 410.515 -0.046 50 20 HBGD CC(=O)C[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795740952 RNRYFJRZWDBXNR-PTOXDTDZSA-N 402.256 -0.815 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@@H](O)C1)C2 1796442229 YXEREFGAHCXETQ-RAPVAKBRSA-N 417.466 -0.519 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccc(O)cc1 1798944824 QWWHSSPWYSUQOJ-HGKCTWBKSA-N 410.235 -0.411 50 20 HBGD CN[C@H](CC(=O)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@@H]1c1cccnc1)C(=O)O 1807195227 CAEMBNCSHRFRDN-DSJMHWKBSA-N 412.874 -0.250 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccnc3C)CCO2)C1 1839716989 MLALTJNQTYJXFS-YJBOKZPZSA-N 414.890 -0.098 50 20 HBGD COC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1840319861 NJGBIHUCPODQKS-OAHLLOKOSA-N 422.276 -0.416 50 20 HBGD C[C@@](O)(C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2)C(F)(F)F 1841801479 XOVRRMVDFWEPOX-OAHLLOKOSA-N 400.162 -0.503 50 20 HBGD O=C(c1cnc(Cl)nc1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843012880 QBJSBKZTSKULFR-UHFFFAOYSA-N 400.631 -0.059 50 20 HBGD COCCn1nccc1C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1843508797 BAIUHSMNFDLUAY-UHFFFAOYSA-N 412.255 -0.660 50 20 HBGD Cc1csc(CC(=O)NNC(=O)CN2CCc3cc(S(N)(=O)=O)ccc32)n1 22013017 IVFUJMWLFGLQGA-UHFFFAOYSA-N 409.493 -0.148 50 20 HBGD Cc1ccc(OCC(=O)NNC(=O)NCCS(=O)(=O)N2CCOCC2)cc1C 52303207 IVENITZCVLJVBU-UHFFFAOYSA-N 414.484 -0.325 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CNC(=O)c1cccc(Br)c1 729274679 AAWTYQYVEDBUIJ-QMMMGPOBSA-N 421.273 -0.736 50 20 HBGD Cn1c(C=NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)nc2c1c(O)nc(=O)n2C 741770677 MDUVIDCNXQDKQG-UHFFFAOYSA-N 419.423 -0.068 50 20 HBGD CSCC[C@H](C(=O)NNC(=O)C(=O)NC(C)C)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 746488730 GZIRAEKTMPPQAZ-RWMBFGLXSA-N 412.512 -0.045 50 20 HBGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)C(C)(C)NS(C)(=O)=O 751693394 UDGQVFXREQZJCO-UHFFFAOYSA-N 421.859 -0.019 50 20 HBGD Cc1cc(C)nc(-n2nc(C)cc2NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)n1 755516877 UCPPETPUHXVIAG-LLVKDONJSA-N 410.460 -0.322 50 20 HBGD C[C@@H]1CCCC[C@@H]1OCC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 766646211 XWGARHXEWZPPFY-NEPJUHHUSA-N 406.443 -0.824 50 20 HBGD Cc1cc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)n1C(C)C 766646450 ZXVWSYKXJLOSKN-UHFFFAOYSA-N 415.454 -0.106 50 20 HBGD COc1cc(F)cc(NNC(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)c1 785235305 VEFFZWBCUTZQMF-UHFFFAOYSA-N 420.401 -0.029 50 20 HBGD Cc1nc(Cn2cc(C(=O)NNC(=O)CNC(=O)OCc3ccccc3)nn2)no1 794074503 FJRXGSKEEVTEEV-UHFFFAOYSA-N 414.382 -0.295 50 20 HBGD C[C@@H](C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)n1cnc(C#N)n1 798744157 QHJBLCPMSFEVJD-GWCFXTLKSA-N 400.351 -0.759 50 20 HBGD CCS(=O)(=O)N1CCN(C(=O)NNC(=O)CNC(=O)c2cccs2)[C@H](C)C1 805044250 KDCBCERHCHJLCZ-LLVKDONJSA-N 417.513 -0.426 50 20 HBGD Cc1ccc(S(=O)(=O)NCC(=O)NNC(=O)CNC(=O)c2ccco2)cc1C 810307709 GLPSJZCYDSVVHP-UHFFFAOYSA-N 408.436 -0.248 50 20 HBGD CCS(=O)(=O)c1cccc(CC(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 1254889299 YSRUOHBGDXOLRT-GFCCVEGCSA-N 403.482 -0.460 50 20 HBGD C[C@H](CN1CCN(C)CC1)NC(=O)NNC(=O)C1CCN(c2ncccn2)CC1 1318313858 SQOYTUMWWFFGHH-OAHLLOKOSA-N 404.519 -0.341 50 20 HBGD CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)NNC(=O)C(=O)OC)s1 1318876571 IZCWXQDTKNJMBC-UHFFFAOYSA-N 406.486 -0.176 50 20 HBGD CCOC(=O)C1(C(=O)N2CC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)CC1 1782923121 PIMAXRIMWBTRRT-LJQANCHMSA-N 424.498 -0.467 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](N)c1ccccn1)CCO2 1783933936 ODNHCNCHEVAMMC-ICSRJNTNSA-N 418.498 -0.716 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)[C@H]1CCCOC1 1792210812 IXZBRPJEXKOKCT-CAMMJAKZSA-N 416.283 -0.614 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CNC1=O)[C@@H](F)Br 1794012175 CHEDXRYFNXVJHP-JXVAYASWSA-N 405.224 -0.133 50 20 HBGD O=C1NC(=O)[C@H](CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H](F)Br)C3)N1 1794210706 WBPGTLWBNHWIKD-KHWQERMQSA-N 405.224 -0.087 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cncc(F)c1 1794852515 FNCVRLYOESOICZ-ZSBFGKGUSA-N 407.446 -0.203 50 20 HBGD CN[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2)C(=O)O 1795640469 VVQGOGKKUCZPEE-FBKDDSFISA-N 406.277 -0.576 50 20 HBGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1C=CCN1)CC2)c1cccc(B(O)O)c1 1815354746 RFKDESCFUOWZCS-ZFWWWQNUSA-N 412.280 -0.423 50 20 HBGD O=C(CCN1CCCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830739162 YKMWNMIXHGYTOO-CRAIPNDOSA-N 403.907 -0.472 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3cnc[nH]3)CC2)CC1 1834170222 KLTDMRCMKNERBE-UHFFFAOYSA-N 419.530 -0.032 50 20 HBGD CC[S@](=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](Cl)COC)CCO2 1840153152 FYKLLSVWCACXIC-YKSJCTFJSA-N 424.947 -0.145 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSCC(=O)O)C2)C1 1840155970 LHTAPUUIFYWEEK-BLLLJJGKSA-N 424.903 -0.486 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(N)=O)CCO2)C1 1840921374 URTDEEOHLIJGGN-LSDHHAIUSA-N 411.286 -0.653 50 20 HBGD CN(C)c1ccc(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)cn1 1844551598 ZWTNJTHBSXTVOH-UHFFFAOYSA-N 408.267 -0.042 50 20 HBGD COc1ccc(C(=O)CNC(=O)CCC(=O)NNC(=O)C(=O)N2CCCC2)cc1 725714796 ZLGRCXPPVDQIRN-UHFFFAOYSA-N 404.423 -0.456 50 20 HBGD O=C(CN1CCN(S(=O)(=O)c2c(F)cccc2F)CC1)NNC(=O)C1CC1 733193300 MQHQIEHMHODNAH-UHFFFAOYSA-N 402.423 -0.172 50 20 HBGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)[C@@H](CO)NC(=O)c2ccccc2)cc1 744827616 GYOBNRYUOBMHGI-MRXNPFEDSA-N 410.386 -0.347 50 20 HBGD COC(=O)c1cc(C)c(C)c(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 747613215 DXOXYIWHKVHNDK-JTQLQIEISA-N 407.470 -0.663 50 20 HBGD O=C(NNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)N1CCCC1 748246967 RHRRZRWJOVAKOR-LBPRGKRZSA-N 402.407 -0.420 50 20 HBGD CC#CC(=O)NNC(=O)Cn1c(=O)c2c(ncn2CC)n(Cc2ccccc2)c1=O 764104070 ZDNZQRFGWXCLDJ-UHFFFAOYSA-N 408.418 -0.401 50 20 HBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 772186586 GADCDTIRERJBKL-MNOVXSKESA-N 403.461 -0.788 50 20 HBGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNC(=O)N=c2cc[nH]cc2)[C@H](C)O)cc1 802030687 NKCUHUIPPDXYJD-SWLSCSKDSA-N 407.452 -0.307 50 20 HBGD O=C(NNc1ccc(-n2ccnc2)nn1)N[C@H]1CCN(CCN2CCOCC2)C1 805189286 URJHGAOBGLMINL-HNNXBMFYSA-N 401.475 -0.305 50 20 HBGD CNc1nc(C)cc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)n1 805619948 NBASOESJDLMVGG-CQSZACIVSA-N 401.379 -0.029 50 20 HBGD CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NNC(=O)CNC(=O)c1ccco1 810308512 CRBQSBLTSJJXSG-ZDUSSCGKSA-N 404.427 -0.347 50 20 HBGD O=C(CN1C(=O)COc2ccc(Cl)cc21)NNC(=O)[C@@H]1CCS(=O)(=O)C1 818028344 HSMSCEQGZAVQHD-SECBINFHSA-N 401.828 -0.353 50 20 HBGD CN(C)N(C(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1)[C@H]1CCS(=O)(=O)C1 913126060 GDVZLKFQFIDDDU-DZGCQCFKSA-N 411.459 -0.262 50 20 HBGD CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)O1 1320041521 MRDZFYBQOFICFB-GXTWGEPZSA-N 412.468 -0.330 50 20 HBGD COCCO[C@@H]1COCC[C@@H]1NC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 1320740118 SNZMFIAHFUUEHP-LSDHHAIUSA-N 415.468 -0.145 50 20 HBGD O=C1CN(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@H](F)Cl)C2)C(=O)N1 1778023244 ZXGYVBGMQAIORV-AKWBHNSASA-N 404.826 -0.414 50 20 HBGD C[C@@H]1CC[C@H](C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)O1 1779032257 MBGXBXKTPNTQNS-OWDMVUQNSA-N 417.466 -0.304 50 20 HBGD O=C(/C=C/c1cnc[nH]1)N1CC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1784306149 MVOMPBYLOOPVCD-RRFGBZISSA-N 410.239 -0.754 50 20 HBGD Cc1cc[nH]c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1785665768 OYLSSVOGRKRQSZ-SZMVWBNQSA-N 411.267 -0.090 50 20 HBGD NC(=O)[C@H](N)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]2C1 1789922726 OZPHBVPGDHPFLD-JPYZYGQNSA-N 423.283 -0.751 50 20 HBGD Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)nc1 1794863943 PNGWICNQNZNRDH-ZSBFGKGUSA-N 424.461 -0.094 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1nc2ncccn2n1 1796188939 CRIKDSIWOAWKDP-MUJYYYPQSA-N 420.238 -0.630 50 20 HBGD Cn1cccc1C(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796192862 UTENHVSFCZJJJU-BJWYYQGGSA-N 409.251 -0.160 50 20 HBGD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccccn1 1801467910 XPOPCYWEAZMANF-DFYYWFRZSA-N 423.278 -0.232 50 20 HBGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1831656281 CKSZZPCSDKEMHM-GLJUWKHASA-N 401.891 -0.014 50 20 HBGD C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835934477 VDKTVUXLARYGOG-OAQYLSRUSA-N 414.267 -0.760 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)[C@H]2CCC(=O)NC2)C1 1841113308 ZPTHIQAICAQEOA-LBPRGKRZSA-N 400.439 -0.972 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1nc3ncccn3n1)C2 1844264429 RRKDSBCABGNCAV-UHFFFAOYSA-N 421.421 -0.746 50 20 HBGD COC(=O)[C@H]1CC[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2ccc(B(O)O)cc2)C1 1847555265 MGCWCLVJVNBCEW-FZCLSBEQSA-N 414.267 -0.229 50 20 HBGD C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)C1=O 726043337 NFMKWIULVBNELG-UHFFFAOYSA-N 422.781 -0.379 50 20 HBGD COCCCNC(=O)NNS(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1 726767018 UKMXOZKEIMLEGN-UHFFFAOYSA-N 406.486 -0.245 50 20 HBGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)Cc2ccc(S(N)(=O)=O)s2)c1 744702271 IOYACIZYUCHGBX-UHFFFAOYSA-N 422.444 -0.186 50 20 HBGD COc1cc(C)nc(NNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)n1 746634990 ZRCDJHLYAZDFIT-UHFFFAOYSA-N 420.451 -0.329 50 20 HBGD O=C(NNC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2)C(=O)N1CCCC1 749601046 KXXVYIUUOVHRBH-ZDUSSCGKSA-N 402.407 -0.210 50 20 HBGD C[C@H](c1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)c1)N1CCOCC1 764424699 KLHCNTNHTIOVRC-CJNGLKHVSA-N 406.439 -0.419 50 20 HBGD C=CCNC(=S)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 764516826 VFPVWJSJVBMNJP-UHFFFAOYSA-N 411.553 -0.017 50 20 HBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1N1CCOCC1 776294827 WKKSODFTGPSAET-LLVKDONJSA-N 412.424 -0.373 50 20 HBGD CN(C)S(=O)(=O)c1cc(C(=O)OCC(=O)NNC(=O)c2ccccc2)n(C)c1 778913739 DZDVPOVLLJJKMQ-UHFFFAOYSA-N 408.436 -0.107 50 20 HBGD COC[C@H](CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)OC 781396432 MRVDONQKJCJYHX-ZDUSSCGKSA-N 416.504 -0.695 50 20 HBGD CCOC(=O)c1cc(F)c(F)cc1NC(=O)C(=O)NNC(=O)C(=O)N1CCCC1 784003355 USZOXJYTGQKKIS-UHFFFAOYSA-N 412.349 -0.150 50 20 HBGD O=C(CNC(=O)NNC(=O)CNC(=O)c1cccs1)NCCN1CCCCCC1 814294227 ILBUDTDBSSVGSL-UHFFFAOYSA-N 424.527 -0.200 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NN=C2COc3cccc(Cl)c32)n(C)c1=O 814877791 ZTTCFVRHOMDAEP-UHFFFAOYSA-N 402.798 0.000 50 20 HBGD O=C(NNC(=O)C1CCN(c2ccc3nnnn3n2)CC1)c1ccc2c(c1)OCCO2 895903570 WNAAPURQMVMEMG-UHFFFAOYSA-N 424.421 -0.032 50 20 HBGD CC(=O)N1CCC(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)CC1 1116085470 RMYZCUFEWZANNE-UHFFFAOYSA-N 424.527 -0.281 50 20 HBGD CNC(=O)c1cccc(C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)n1 1323923300 UVJQLJGUJXXSNG-UHFFFAOYSA-N 419.463 -0.169 50 20 HBGD Cc1cc2nnc(C(=O)N3CC[C@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)c(C)n2n1 1777779539 VYVWNWRKOCLLGG-ACJLOTCBSA-N 422.873 -0.216 50 20 HBGD C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779028301 CKEZNISGAJFMSW-JLTOFOAXSA-N 417.466 -0.280 50 20 HBGD CC(C)(C)[C@@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779028673 HUGATJCPHJAVJW-YWZLYKJASA-N 419.482 -0.464 50 20 HBGD O=C(c1c[nH]c(=O)cn1)N1CC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1780248327 BDTDIJGAKADIMZ-SMDDNHRTSA-N 403.208 -0.096 50 20 HBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2)[C@@H]1CCCS1(=O)=O 1781650542 WJYWQGTXFNKHDG-UMPJEAMMSA-N 422.931 -0.323 50 20 HBGD O=C(c1cnc2c(c1)CCNCC2)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1782725758 JEMSXGFHTFTDMK-XLIONFOSSA-N 422.913 -0.187 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)CSCC(=O)OC)CCO2)C1 1783870979 KVDAQLFOCOKIBN-MLGOLLRUSA-N 408.904 -0.024 50 20 HBGD Cc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c(O)n1 1783934851 IHTOFCYOOTYWIK-HXUWFJFHSA-N 419.482 -0.088 50 20 HBGD CCC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CC(=O)NC3=O)[C@H]2C1 1785027527 LBOKWZYHJSQTFS-XUXIUFHCSA-N 414.890 -0.075 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3cnc[nH]3)C[C@@H]21)c1ccc(B(O)O)cc1 1786983687 QFYWPXBHKUGDEM-JIIGUXNLSA-N 424.266 -0.604 50 20 HBGD C[C@@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cnnn3)[C@H]2C1 1787089559 CIOQVBDXENSAOD-CYDGBPFRSA-N 415.292 -0.316 50 20 HBGD C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795737630 DSMQWWUYCAMMOZ-XEMDLRDOSA-N 416.283 -0.448 50 20 HBGD CCS(=O)(=O)CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798439544 HSYAGKDWZBKVHQ-CLLJXQQHSA-N 423.495 -0.628 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCn1cncn1)C2)[C@@H](F)Br 1799352440 XAOHGRBHICPBDO-LYIQGSDWSA-N 404.240 -0.052 50 20 HBGD COC[C@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)Br 1800759640 YZHOEBNPPCCYBV-HNGSFYKJSA-N 420.304 -0.490 50 20 HBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)C(F)(F)F)C2 1800982165 YEWFEHQOISAWLT-WYFGTUCQSA-N 415.796 -0.492 50 20 HBGD CN1CC(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)C1 1813608009 MKJVEJPLKGFVJE-PXNSSMCTSA-N 422.294 -0.357 50 20 HBGD C[C@@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2)n1cnnn1 1830370260 NMNKBBNEKWIKEP-SUMWQHHRSA-N 414.894 -0.045 50 20 HBGD COc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)n1 1830726446 YQYPHMLWLHQNPA-KDOFPFPSSA-N 413.858 -0.240 50 20 HBGD NC(=O)[C@H](N)CCC(=O)N1CCC(N2CCC(NC(=O)[C@@H](F)Cl)CC2)CC1 1835080037 GWIRJCQGYIFZDH-UKRRQHHQSA-N 405.902 -0.315 50 20 HBGD CS(=O)(=O)c1cncc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H](O)CCl)c1 1847556820 PTEIDVPQKDIOPN-IHRRRGAJSA-N 401.872 -0.100 50 20 HBGD O=C(CCCCCNC1=NS(=O)(=O)c2ccccc21)NNC(=O)C(=O)NC1CC1 10213619 QNLWLNVRUDRVRT-UHFFFAOYSA-N 421.479 -0.289 50 20 HBGD COc1ccc(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c2cccnc12 728509487 GFKCXWCWBRYTOX-VIFPVBQESA-N 402.454 -0.509 50 20 HBGD C#CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)cc1 732259974 MLHQKOOINXQWEO-GJZGRUSLSA-N 422.507 -0.142 50 20 HBGD C[C@@H]1CN(CCC(=O)NNC(=O)CCN2C(=O)NC3(CCCC3)C2=O)C[C@@H](C)O1 732260688 GOSIKQYUPCJVGA-ZIAGYGMSSA-N 409.487 -0.112 50 20 HBGD O=C(CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=S)NCCc1cccs1 743822088 CGLODGWBARKLES-OXHZDVMGSA-N 408.505 -0.052 50 20 HBGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)c2csc(S(N)(=O)=O)c2)c1 744599718 FPIMCHHGXIMHRR-UHFFFAOYSA-N 408.417 -0.115 50 20 HBGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccccc1N1CCN(C)CC1 764401802 XMAMZCSIZVWEER-CQSZACIVSA-N 407.471 -0.424 50 20 HBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 771887010 HQFWOKFAIPJDCT-NSHDSACASA-N 410.452 -0.150 50 20 HBGD CCOc1ccccc1OCC(=O)NNC(=O)C1CCN(S(=O)(=O)NC)CC1 794757737 AJGQACHYLULYIM-UHFFFAOYSA-N 414.484 -0.212 50 20 HBGD CC(=O)N1CCC[C@H](C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)C1 804951938 YWWALTLWIUXTSK-XJKSGUPXSA-N 405.407 -0.225 50 20 HBGD O=C(CCNS(=O)(=O)c1cccs1)NNC(=O)c1ccc(-n2cnnn2)cc1 913156141 VCUBFHMFURGBIE-UHFFFAOYSA-N 421.464 -0.147 50 20 HBGD CS(=O)(=O)[C@H]1CCCN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)C1 1116598941 WZOFRLCVJDWHDM-NSHDSACASA-N 417.513 -0.157 50 20 HBGD Nc1n[nH]c(CCC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@H](O)CCl)C3)n1 1779239147 QZURBUGYUPGVEX-PSTGCABASA-N 414.894 -0.567 50 20 HBGD CCc1nc(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)co1 1779701232 APSREQWVPKYZHL-HXUWFJFHSA-N 413.239 -0.326 50 20 HBGD CC[C@H](NC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782210788 LZGVGPATDMYLNB-RZQQEMMASA-N 411.547 -0.129 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(O)nc3O)C[C@@H]21)[C@@H](O)CCl 1784090668 KIXWULYTWLWFHL-VGDYDELISA-N 400.819 -0.919 50 20 HBGD COCC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)CC1 1784468605 CGHLAVVWLMOEMW-SZMVWBNQSA-N 416.283 -0.614 50 20 HBGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](Cl)COC)[C@H]2C1 1791255063 CMMKAMBKISLSPL-MJDBTJCESA-N 421.878 -0.716 50 20 HBGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)n3cnnn3)C[C@@H]21 1791256354 NFOJBKILABGXGY-QMVSFRDZSA-N 400.867 -0.532 50 20 HBGD CCO/C=C/C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1791461326 QBHHHCZIVLLTNG-LWRBXEBFSA-N 417.466 -0.171 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)N1CCCC1)C2)[C@H](O)CCl 1792975662 TWFDKNYMVPJLBD-UMPJEAMMSA-N 401.891 -0.422 50 20 HBGD Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)cn1 1795732397 ALFMGAOCWZRQPE-IZZQQSIFSA-N 409.251 -0.413 50 20 HBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccccn1)C2 1797750422 BOSIVGGFIYTMNF-HBCWATKFSA-N 424.461 -0.474 50 20 HBGD N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)c1 1797752860 JYACRERLTDBXSF-FVCICTRLSA-N 423.433 -0.598 50 20 HBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCO1)C2 1797753743 DSJBNOWOUQPCES-VZAMPYOESA-N 403.439 -0.933 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812881992 GDJXETSZABVJJB-YWZLYKJASA-N 415.450 -0.452 50 20 HBGD NC(=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1831405219 FWYRSCCKRJYNCD-SFHVURJKSA-N 415.299 -0.135 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cnnn3)CCO2)C1 1836149099 WQOCKUQKSOHHHB-LSDHHAIUSA-N 421.285 -0.634 50 20 HBGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1837367148 PXJBHPXIMQNKBQ-BMIGLBTASA-N 417.260 -0.898 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C3=COCCC3)C2)C1 1840185198 MFNNOZJRZBUNPR-HXUWFJFHSA-N 424.498 -0.490 50 20 HBGD N[C@H](CC(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2)c1cccnc1 1842975563 BYYCSCPADHIJAH-GOSISDBHSA-N 408.267 -0.332 50 20 HBGD CN(C)C(=O)CN1CCC(NC(=O)NNC(=O)[C@H]2COc3ccccc3O2)CC1 731761995 TUMRDEGFMKTJPI-MRXNPFEDSA-N 405.455 -0.291 50 20 HBGD CN1CCC(N2CC[C@H](NC(=O)NNC(=O)CNC(=O)c3cccs3)C2)CC1 734283766 MGHOACSJBUFIOC-ZDUSSCGKSA-N 408.528 -0.023 50 20 HBGD CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNC(=O)c3ccc[nH]3)cc2)CC1 747654613 YBMWKICUCOZCSR-UHFFFAOYSA-N 419.463 -0.058 50 20 HBGD Cc1cccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1F 757911241 SYUXYWUJHOYUNQ-UHFFFAOYSA-N 403.374 -0.266 50 20 HBGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2ccc(OCC(N)=O)cc2)n1 762500555 QMKSOMSTIJUMEX-UHFFFAOYSA-N 406.420 -0.137 50 20 HBGD Cc1coc(-c2ccc(C)c(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c2)n1 764225592 AWKDIEDWXMUSOU-NSHDSACASA-N 423.451 -0.018 50 20 HBGD CC(C)Cn1ncc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1C(C)C 764227059 LTIBLFZWTBBKFI-NSHDSACASA-N 416.504 -0.314 50 20 HBGD Cc1nc2c(c(O)nn2C)c(C)c1CC(=O)NNC(=O)CNC(=O)c1cccnc1 764344753 INLVIUUVNXZHPM-UHFFFAOYSA-N 411.422 -0.194 50 20 HBGD C[C@H](NC(=O)c1n[nH]c2ccccc12)C(=O)NNC(=O)CNC(=O)c1cccnc1 764344952 MJWGDZKXTKGFQE-NSHDSACASA-N 409.406 -0.346 50 20 HBGD CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772897102 FLBQTDXHWAAJEL-CQSZACIVSA-N 423.857 -0.769 50 20 HBGD CN1C(=O)CCc2cc(C=NNC(=O)CSc3nn(C)c(=O)n(C)c3=O)ccc21 774359347 BGGVPMWWWSBHPE-UHFFFAOYSA-N 416.463 -0.370 50 20 HBGD CN(CC(=O)NNC(=O)CNC(=O)OC(C)(C)C)S(=O)(=O)c1cccnc1 778436886 QMQWBNXXTVTYFA-UHFFFAOYSA-N 401.445 -0.626 50 20 HBGD CCS(=O)(=O)Nc1ccc(S(=O)(=O)NNC(=O)NCC(=O)OC)c(OC)c1 779847300 YNVONRYYPIWVSM-UHFFFAOYSA-N 424.457 -0.878 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C1(c2cncc(Br)c2)CC1 799100722 NLKRDNHYCAWWFY-QMMMGPOBSA-N 405.274 -0.039 50 20 HBGD CC(C)C(=O)N[C@@H](CO)C(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12 813366540 UQIQWYDLWVESSB-AWEZNQCLSA-N 403.439 -0.129 50 20 HBGD CNS(=O)(=O)c1cccc(NC(=O)NNC(=O)[C@@H]2CCc3nncn3C2)c1C 814670678 CILWKBPUFRFEQL-LLVKDONJSA-N 407.456 -0.090 50 20 HBGD COc1ccccc1NCC(=O)NNC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 862486067 UGHSCYAVHLSPBM-UHFFFAOYSA-N 412.406 -0.486 50 20 HBGD C[C@H]1CN(CCC(=O)NNC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)C[C@@H](C)O1 912924847 TXVQYRRUBRIJPC-WPAGTLKASA-N 404.467 -0.560 50 20 HBGD CCCn1nc(C(=O)NNC(=O)CS(=O)(=O)CCOC)c2ccccc2c1=O 915618992 BOLVAEDCVJHJDY-UHFFFAOYSA-N 410.452 -0.371 50 20 HBGD CCNS(=O)(=O)c1ccc(CC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 1116596089 GHBBEOVRRHJWIZ-GFCCVEGCSA-N 403.482 -0.891 50 20 HBGD NC(=O)NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](F)Br)C1 1780779595 ZMPWJWUDSVZTEQ-GLXFQSAKSA-N 409.256 -0.141 50 20 HBGD O=C1CC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCBr)C[C@@H]32)=NN1 1788554015 NMHNUSOALFQXQY-NHCYSSNCSA-N 401.261 -0.373 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3C[C@H]3F)[C@H]2C1 1789791716 GINUQCJVTSWTDV-QJXWRWMASA-N 405.430 -0.364 50 20 HBGD O=C(CCN1C(=O)C=CC1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(Cl)Cl)C2 1793619931 ARNNXUGZYVIHNI-WDAIWFPHSA-N 404.250 -0.305 50 20 HBGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NNC(=O)C1 1797687039 YBJPVFKSUMIMLB-BSTOTGJRSA-N 401.261 -0.375 50 20 HBGD CC(C)O[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797751925 ZUFAGLZYRLPYDE-ZJOBFFGXSA-N 419.482 -0.298 50 20 HBGD C[C@@H]1C[C@@]1(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797752883 LQXDYWIMTMYELE-GCEGIPFESA-N 401.467 -0.066 50 20 HBGD Cc1nc(C)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)o1 1798144011 ASEVWMKBTMITNZ-XOIINTDNSA-N 407.471 -0.132 50 20 HBGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NNC(=O)C1)C2 1800642072 VESZFUDLNOYUND-BSTOTGJRSA-N 401.261 -0.375 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[C@@H]1CCCS1 1801564723 MOEUUFYPFDLWTB-FSDCSDTHSA-N 404.297 -0.535 50 20 HBGD NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815359777 DTAHPBXERKKMEZ-LBPRGKRZSA-N 416.268 -0.686 50 20 HBGD O=C(CN(CCO)CCO)N[C@@H]1CCc2nc(NC(=O)[C@H](F)Cl)sc2C1 1817134887 UBWZWYUUUWDKSL-RNCFNFMXSA-N 408.883 -0.124 50 20 HBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)Cn1nccn1)CC2 1826088649 IDRZGOSWVTVUIV-NSHDSACASA-N 420.499 -0.280 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCCC3)CCO2)C1 1829880334 WHPKIEQRDIXHOS-MAUKXSAKSA-N 403.907 -0.208 50 20 HBGD Cc1cc(C)n(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)n1 1833035869 UCLLEJDISFDRBB-MAUKXSAKSA-N 414.890 -0.444 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3ncc[nH]3)CC2)CC1 1834034628 ZOLMCDLSJXEGIQ-UHFFFAOYSA-N 419.530 -0.032 50 20 HBGD O=C1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)CCBr)C3)C2)N1 1835304798 BVRBBPKUPJSHFI-MLGOLLRUSA-N 418.288 -0.494 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)C3CCC3)C2)C1 1835935553 UDHHMZIYTVYRPU-FQEVSTJZSA-N 402.256 -0.764 50 20 HBGD CCOC(=O)/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](Cl)COC)CCO2 1840150622 ONKVMMXZZBQADW-CRPWZZHVSA-N 418.874 -0.184 50 20 HBGD CS(=O)(=O)c1cncc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H](O)CCl)c1 1847556821 PTEIDVPQKDIOPN-MELADBBJSA-N 401.872 -0.100 50 20 HBGD CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)c3cnn[nH]3)CC2)cc1 729456025 NCTYWOORAYZAOI-UHFFFAOYSA-N 420.451 -0.131 50 20 HBGD Cn1cc(C(=O)NNS(=O)(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cn1 735462822 WUOQFNOBXRUOFC-UHFFFAOYSA-N 413.481 -0.172 50 20 HBGD Cn1ccnc(NNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1=O 747938398 UZORYBKOHJSVGW-CYBMUJFWSA-N 422.423 -0.015 50 20 HBGD O=C(NNC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1)C(=O)N1CCCC1 748245934 UPTDCPQROKSJBG-UHFFFAOYSA-N 415.497 -0.864 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)C(C)(C)S(C)(=O)=O)cc2)CC1 748619993 NSZWLKAGMNZRRR-UHFFFAOYSA-N 418.541 -0.111 50 20 HBGD CCOC(=O)CNC(=O)C1CCN(CC(=O)NNC(=O)c2cccc(C#N)c2)CC1 749464432 XBOSSJDSCXQWDI-UHFFFAOYSA-N 415.450 -0.289 50 20 HBGD Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)NNC(=O)NCC(F)(F)F 749904257 TVXBXTYFFDYNOX-UHFFFAOYSA-N 412.336 -0.243 50 20 HBGD COCCNC(=O)Cn1cc(NC(=O)NNC(=O)c2cccc(OC)c2O)cn1 756843798 IZXSFUFRKYPVAE-UHFFFAOYSA-N 406.399 -0.174 50 20 HBGD C[C@H](O)c1cn(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)nn1 763015342 ZINROOIPUWHOIQ-LBPRGKRZSA-N 422.467 -0.423 50 20 HBGD COC(=O)c1cc(Cl)cc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 764226957 LHZVEILYYHCYMY-ZETCQYMHSA-N 420.831 -0.850 50 20 HBGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)c1ccc(S(N)(=O)=O)nc1 765418686 SXIQZKIMHQFAHS-UHFFFAOYSA-N 401.445 -0.205 50 20 HBGD CN1CCN(C(=O)NNC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 807380585 KBYJKTBSDSJMKK-UHFFFAOYSA-N 414.444 -0.749 50 20 HBGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)CNS(=O)(=O)c1cnn(C)c1 817053105 CRZLKBDZWKRXLG-UHFFFAOYSA-N 416.485 -0.908 50 20 HBGD CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NNc1ccccc1S(=O)(=O)N(C)C 817054568 OMEXVKJYHNGDAA-AWEZNQCLSA-N 411.484 -0.493 50 20 HBGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)C1CCN(S(N)(=O)=O)CC1 817055321 WPJBIXQPTDEQKB-UHFFFAOYSA-N 405.502 -0.705 50 20 HBGD O=C(Cn1cnc2ccccc21)NNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 915188413 LLRAUZRHDTVDIE-STQMWFEESA-N 419.463 -0.781 50 20 HBGD CCOc1ccccc1N1C[C@@H](C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)CC1=O 919883994 FOAWCXFXIQDYEY-STQMWFEESA-N 424.479 -0.044 50 20 HBGD CCN1CCN(CC(=O)NNC(=O)c2cc(Br)ccc2O)C(=O)C1=O 1116157499 ZFDSYEROPAEVRO-UHFFFAOYSA-N 413.228 -0.394 50 20 HBGD C[C@]1(NNC(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)CCS(=O)(=O)C1 1321725042 MFMXMOASVDOTQU-SFHVURJKSA-N 423.495 -0.860 50 20 HBGD O=S1(=O)CC[C@@H](S(=O)(=O)N2CCN(CCI)CC2)C1 1324593296 VQFYSSWZVFGABJ-SNVBAGLBSA-N 422.310 -0.444 50 20 HBGD CN1CCCC[C@H]1C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1781027687 NXDYBEHYMJAGDA-GHTZIAJQSA-N 415.299 -0.706 50 20 HBGD CC(=O)N(C)[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783935810 ZCGYMOMEBQURED-AUUYWEPGSA-N 411.503 -0.944 50 20 HBGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@H](N)C(N)=O)C2 1792868339 WKWWIKVKJZDBPP-HNRZYHPDSA-N 419.320 -0.800 50 20 HBGD CN[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2)C(=O)O 1795645326 JGPXLIHMLGGKBG-VNJKPEEASA-N 410.240 -0.671 50 20 HBGD CCNC(=S)NCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796193255 YDJUBTRYPJBOBF-MUJYYYPQSA-N 418.328 -0.898 50 20 HBGD CN1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCBr)C3)CC1 1797235354 WGBASYBKLLRLGT-XOIINTDNSA-N 417.348 -0.392 50 20 HBGD O=C1Cc2cccc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@H](O)CCl)C4)c2N1 1800028318 QXNRADGSCJMWQV-FAXLKDOZSA-N 407.854 -0.016 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCCS1(=O)=O 1801519944 ABNGAUCDJIHMFE-XGUBFFRZSA-N 414.528 -0.425 50 20 HBGD O=C([C@H](O)CCl)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)c3ccco3)C2)C1 1830719974 QCAIFNKIRKXGBA-MRRJBJDNSA-N 402.831 -0.631 50 20 HBGD O=C(C1CCC(O)CC1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830737837 JBKDLYDZRAPILT-GULCKSEBSA-N 404.891 -0.406 50 20 HBGD O=C(CCN1CCCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830739163 YKMWNMIXHGYTOO-MAUKXSAKSA-N 403.907 -0.472 50 20 HBGD CC(C)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1835632379 MTNOEIXBXBUDKT-SFHVURJKSA-N 415.922 -0.452 50 20 HBGD O=C(CC1CCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835934427 SAIOSQDEPUGKQH-NRFANRHFSA-N 416.283 -0.373 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1840183823 BXPWQABQRUXNMH-LJQANCHMSA-N 407.471 -0.880 50 20 HBGD O=C(c1cc(=O)n2[nH]nnc2n1)N1CC2(CCCN2C(=O)[C@H](F)Br)C1 1845217238 NJMJFSSGLNVXNL-VIFPVBQESA-N 414.195 -0.680 50 20 HBGD O=C(NCCS(=O)(=O)NCC1CCC1)NNC(=O)c1ccc(-n2cnnn2)cc1 731679527 MMQHCIZUKBRNPH-UHFFFAOYSA-N 422.471 -0.674 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNS(=O)(=O)C[C@H]2CCCO2)cc1 735646247 NZTBIUMPYOUFGR-CYBMUJFWSA-N 405.498 -0.255 50 20 HBGD CC(C)(C)OC(=O)N1CCN(CC(=O)NNC(=O)COc2ccccc2O)C(=O)C1 741214664 PTIYPPCIALGGDN-UHFFFAOYSA-N 422.438 -0.002 50 20 HBGD CCOC(=O)N1CCN(S(=O)(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 755951745 GDKVWHFIYYOVTP-UHFFFAOYSA-N 401.401 -0.152 50 20 HBGD COC(=O)c1cc(F)ccc1S(=O)(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 759088537 GMIGROGGZHBXKZ-VIFPVBQESA-N 409.417 -0.708 50 20 HBGD CNC(=O)Cn1nc(NC(=O)C(=O)NNC(=O)COc2ccc(C)c(C)c2)cc1C 763664762 GBFALCJFIPIGIF-UHFFFAOYSA-N 416.438 -0.281 50 20 HBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 771884370 ZLFLZDBZGILKFK-LBPRGKRZSA-N 413.452 -0.190 50 20 HBGD CCN(CC)C(=O)CN1CCN(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 795317880 KGOOAXRZSQPMGD-UHFFFAOYSA-N 420.470 -0.158 50 20 HBGD Cc1nc(C(F)(F)F)ccc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 802567464 VZHQJGNLXBRWSN-SSDOTTSWSA-N 411.362 -0.568 50 20 HBGD Cn1nnc2c1C[C@H](C(=O)OCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)CC2 811342826 MMLHDBNNBJJFNP-LLVKDONJSA-N 402.367 -0.167 50 20 HBGD Cn1nnc2c1C[C@@H](C(=O)OCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)CC2 811342827 MMLHDBNNBJJFNP-NSHDSACASA-N 402.367 -0.167 50 20 HBGD Cn1cc(C(=O)NNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c2ccccc21 914830658 NPAVEFFADGCGPU-CHWSQXEVSA-N 418.475 -0.025 50 20 HBGD O=C(COC(=O)Cn1cc(C2CC2)nn1)NNC(=O)[C@@H]1COc2ccccc2O1 1252981847 UUKRJHXOJPVMPX-HNNXBMFYSA-N 401.379 -0.314 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C2C[C@H]3CCC[C@H](C2)C3)n(C)c1=O 1320938918 SVULVXBNIYIQPU-RYUDHWBXSA-N 402.455 -0.203 50 20 HBGD CS(=O)(=O)CCN1CCC(NC(=O)NNc2ccc(-n3ccnc3)nn2)CC1 1324436918 QQXNYDGLSWGPSZ-UHFFFAOYSA-N 408.488 -0.203 50 20 HBGD Cc1ocnc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779032859 YSGDDEFTYNTDFT-LJQANCHMSA-N 414.422 -0.261 50 20 HBGD COc1ccnc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1 1783934386 GEMLTGBUYBGAMH-HXUWFJFHSA-N 419.482 -0.093 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)ncn3)[C@H]2C1 1784667441 FCPWAAMVXGEWQJ-YDHLFZDLSA-N 420.470 -0.852 50 20 HBGD CN1CCC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)CC1 1791287211 ULQGACPLLPPWDF-BZSNNMDCSA-N 423.558 -0.319 50 20 HBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCSCC1 1792467166 PNLVBOOHDKJRTA-HLPPOEQASA-N 405.948 -0.121 50 20 HBGD C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795732749 GEFDFHPACBSACC-SCNOPHJPSA-N 402.256 -0.839 50 20 HBGD Cc1cc2nnc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@H](O)CCl)C4)c(C)n2n1 1796924089 XMQDKZPQDSXDQD-OQMKEHIESA-N 422.873 -0.456 50 20 HBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)COCCO)CC2 1826088386 FIDDOICWJCMZRQ-NSHDSACASA-N 413.500 -0.563 50 20 HBGD CC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834824847 NRNMQBBCDCAALL-LRDDRELGSA-N 420.304 -0.248 50 20 HBGD CC(C)/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835940001 RVIGPKMLQJNCOU-IRUYWQDXSA-N 416.283 -0.351 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1 1839153616 LZELYKMDYLCDBL-HZPDHXFCSA-N 421.281 -0.445 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@@H]3F)C2)C1 1840184842 GPNXABCRSBEDLW-DEYYWGMASA-N 400.451 -0.826 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)CC(N)=O)C1 1841656337 SPEQWCSPRCMSQL-GLXUHCQUSA-N 402.455 -0.165 50 20 HBGD C[C@H](C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2)N1C[C@@H]2C[C@H]2C1 1844190977 VOIDNOUMGXKGBL-ILXRZTDVSA-N 412.494 -0.158 50 20 HBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC12CN(C(=O)CNC(=N)N)C2 1844692399 SCKYHKFQKYTCLJ-UHFFFAOYSA-N 418.410 -0.180 50 20 HBGD C[C@H]1CCCC[C@H]1NC(=S)NNC(=O)CSc1nn(C)c(=O)n(C)c1=O 18945233 CSDMKVZYHYVCID-VHSXEESVSA-N 400.530 -0.355 50 20 HBGD COCCn1nc(C(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)ccc1=O 21967375 YJABZQGOCRXSEU-UHFFFAOYSA-N 422.467 -0.434 50 20 HBGD Cc1ccc(C(=O)NNC(=O)COC(=O)CNS(=O)(=O)c2cn(C)c(C)n2)cc1 727012870 GURWIHVGUKVYOG-UHFFFAOYSA-N 423.451 -0.680 50 20 HBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 732082812 NNQPLFOGWCYJQN-JHJVBQTASA-N 411.484 -0.411 50 20 HBGD Cc1ccc(C)c(OCC(=O)NNC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)c1 742471916 LBJKTDNNRQHBKB-XHSVMWQWSA-N 401.419 -0.008 50 20 HBGD C[C@@H](CCN(C)C)NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 744866174 PXBBCAXOUOYDCX-AWEZNQCLSA-N 413.548 -0.016 50 20 HBGD Cc1ccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c(OCC(=O)N(C)C)c1 756201746 AWNVPYXDBVUQTJ-LLVKDONJSA-N 415.472 -0.448 50 20 HBGD Cc1cc(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc(C(=O)O)c1F 763285346 XOQOYDGSVHMJIP-MRVPVSSYSA-N 409.417 -0.488 50 20 HBGD CCc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cc(C)n(CC(=O)NC)n1 763712370 PMAFSPGSJHADOB-UHFFFAOYSA-N 416.438 -0.335 50 20 HBGD CCCS(=O)(=O)Nc1cccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)c1 764432604 ILZIZCZHXKPUTD-CYBMUJFWSA-N 414.440 -0.660 50 20 HBGD CCCn1nc(C(=O)NNC(=O)[C@H](NC(=O)C2CC2)[C@H](C)O)c2ccccc2c1=O 779473011 DVYXFTIHKPXJMR-XHDPSFHLSA-N 415.450 -0.157 50 20 HBGD Cn1c(=O)oc2c(NC(=O)C(=O)NNC(=O)CNC(=O)c3cccs3)cccc21 784005195 UBEGVSLYTMEAOY-UHFFFAOYSA-N 417.403 -0.291 50 20 HBGD CCOC(=O)CON=C(C(=O)NNC(=O)[C@H]1COc2ccccc2O1)c1cc[nH]n1 789942013 PBWJQYLZGORPKK-CQSZACIVSA-N 417.378 -0.319 50 20 HBGD CC(=O)NC[C@@H]1CCn2ncc(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)c2C1 792736225 GAQFCSGCAFKDMN-CYBMUJFWSA-N 423.437 -0.368 50 20 HBGD C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 806458502 JZRBQYCNJWVHRI-WDEREUQCSA-N 414.465 -0.040 50 20 HBGD CN(C)S(=O)(=O)c1ccc(NNC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 812731956 OOZBHZILFTUJNB-VDERGJSUSA-N 422.463 -0.458 50 20 HBGD C[C@@H](C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1)N1C(=O)CCC1=O 916031088 JAQLBVCBTWVHRA-HNNXBMFYSA-N 401.467 -0.116 50 20 HBGD COCCN1C(=O)/C(=C/NNC(=O)c2nnc(-c3ccccc3)o2)C(=O)NC1=S 920178713 ULUUWQDJEDQTSO-PKNBQFBNSA-N 416.419 -0.255 50 20 HBGD COCCCNC(=O)NNC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 920862946 IENHPKDHIBDLLZ-UHFFFAOYSA-N 420.513 -0.322 50 20 HBGD O=C(Cc1cn2ccccc2n1)NNC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 1339983684 OSJPCASKFFZKMB-MRXNPFEDSA-N 400.420 -0.246 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCC4)C2)C1 1778667204 WIZRZLWMBADKTC-NRFANRHFSA-N 424.266 -0.734 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCC(=O)N1)C2 1782210906 YNAVWLPTSQNNHQ-BXTJHSDWSA-N 423.514 -0.848 50 20 HBGD CC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CC(=O)NC3=O)[C@H]2C1 1785031744 UKLDMKFVUMMRSX-CYDGBPFRSA-N 400.863 -0.465 50 20 HBGD O=C(CN1C(=O)CSC1=S)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1785539149 JSTMKKJBRCDYRS-BONVTDFDSA-N 421.928 -0.724 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cncs3)C[C@@H]21)c1cccc(B(O)O)c1 1786984599 RDESECRXJLLDME-BPUTZDHNSA-N 415.280 -0.270 50 20 HBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCOC3)C[C@@H]21 1788611257 QMVRGLWZUSWKFA-RMHZUWNSSA-N 417.466 -0.685 50 20 HBGD O=C(NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl)c1cccnc1 1792975650 SXHFVSDCIUAAKX-HLPPOEQASA-N 410.858 -0.999 50 20 HBGD CC(C)(C)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1795564445 VTCFTQBRKBHPJX-FVCICTRLSA-N 418.498 -0.724 50 20 HBGD O=C(Cn1ccnn1)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1817652155 YMSBEJIJDDWZHG-INIZCTEOSA-N 423.242 -0.313 50 20 HBGD C[C@H](CC(N)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1831608300 CNYGZEHJQVZSTJ-HCKVZZMMSA-N 424.267 -0.355 50 20 HBGD O=C1Cc2cc(C(=O)N3CCCC34CN(C(=O)c3cccc(B(O)O)c3)C4)ccc2N1 1844004944 JWLNUQNJHQILLV-UHFFFAOYSA-N 419.246 -0.008 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2nc(O)n3c2CCCC3)C1 1844396698 MOPAWGNNNMFHEU-UHFFFAOYSA-N 424.266 -0.264 50 20 HBGD O=C(NCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(B(O)O)c1)c1ccc[nH]1 1848178009 VWEBOAMIOHXBSC-ROUUACIJSA-N 424.266 -0.670 50 20 HBGD CC(=O)N1CCN(C(=O)CCNC(=O)NNC(=O)c2c(C)nc3ccccn23)CC1 730820418 DDJDXHVGDJKOAQ-UHFFFAOYSA-N 415.454 -0.332 50 20 HBGD C=CCNS(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 732307232 DTYYSYSACAMSFA-GFCCVEGCSA-N 401.466 -0.653 50 20 HBGD COc1cc(C(=O)NNC(=O)[C@@H]2CCCN2S(C)(=O)=O)cc(OC)c1OC 732923073 MBHLYCKMYBUBIM-NSHDSACASA-N 401.441 -0.103 50 20 HBGD Cc1cc(N2CC[C@H](NC(=O)NNC(=O)COc3ccccc3O)C2=O)n(C)n1 745904991 GFJPYSGRCKJPTK-LBPRGKRZSA-N 402.411 -0.051 50 20 HBGD Cn1c(=O)c2cc(NC(=O)NNC(=O)c3ccc4c(c3)OCO4)cnc2n(C)c1=O 755848949 PTIYOTUCQFYXQO-UHFFFAOYSA-N 412.362 -0.173 50 20 HBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(Br)cc1 763995929 AWLWJOZPYZGQBY-MRVPVSSYSA-N 404.242 -0.030 50 20 HBGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)cc1 764169976 XSXRYHDACIHCBI-MRXNPFEDSA-N 412.402 -0.099 50 20 HBGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)[C@H]3CN4CCCN3CC4)CC2)cc1 764751685 FEKIEWXYPTUVDJ-HXUWFJFHSA-N 414.554 -0.350 50 20 HBGD Cc1cc(C(=O)NNC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)n[nH]1 765588463 PJQFJDMQXQEIFD-UHFFFAOYSA-N 408.440 -0.841 50 20 HBGD CCOC(=O)CNC(=O)[C@H]1COCCN1CC(=O)NNC(=O)c1ccc(C)cc1 781904260 BEQKCCVGJAREGZ-OAHLLOKOSA-N 406.439 -0.864 50 20 HBGD CC(C)(C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)S(C)(=O)=O 785983622 HOIFKSIXXCTWEA-LBPRGKRZSA-N 400.409 -0.660 50 20 HBGD Cn1cc([C@H]2[C@@H](C(=O)NNC(=O)C(=O)N3CCCC3)CC(=O)N2C(C)(C)C)cn1 795059888 DMUSBZHENHETCM-ZFWWWQNUSA-N 404.471 -0.122 50 20 HBGD CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)NNC(=O)CNC(=O)c2ccco2)=NO1 798946513 VVTWAZCFTSQRFC-SNVBAGLBSA-N 409.399 -0.174 50 20 HBGD CN(C)c1ccc(NC(=O)NNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1 802120707 XVHRKNHTXZUZAF-SWLSCSKDSA-N 423.495 -0.059 50 20 HBGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)NNC(=O)[C@@H]1COc2ccccc2O1 807025925 FNAONFHWISOENW-HNNXBMFYSA-N 424.377 -0.523 50 20 HBGD Cc1onc(N)c1S(=O)(=O)N1CCN(S(=O)(=O)CBr)CC1 809831479 XGPCVQQIBYKUQH-UHFFFAOYSA-N 403.280 -0.446 50 20 HBGD C[C@H]1CN(CCC(=O)NNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C[C@H](C)O1 912919071 IMRBXJGTZOMHJW-KBPBESRZSA-N 423.495 -0.517 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cc2cnc[nH]2)C1 1777995804 HRSMJNUUSMYKAE-OXQOHEQNSA-N 420.514 -0.161 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nccnc3C(N)=O)C2)C1 1779880086 ZDLARUNJLJBMIT-APPDUMDISA-N 411.846 -0.727 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@](C)(O)C(F)(F)F)CCO2 1783933185 DAAZNUIRQQCUMD-HZPDHXFCSA-N 424.420 -0.497 50 20 HBGD C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784085400 ISAISFQMAXOOBM-QMVSFRDZSA-N 410.920 -0.754 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCCO3)C[C@@H]21)c1cccc(B(O)O)c1 1786984534 RGBPOOUEVLINSO-OWLYRPNTSA-N 402.256 -0.861 50 20 HBGD O=C(CCBr)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCCC1=O)C2 1795112997 UOYOMVZLNZFXQH-DRXBFXEBSA-N 402.289 -0.017 50 20 HBGD O=C1C[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCBr)CCN1 1795116938 HECOULBWBNURIY-MCYUEQNJSA-N 402.289 -0.113 50 20 HBGD CC1=C(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)CCO1 1797750464 GULVEKWQPUNMRO-FVCICTRLSA-N 415.450 -0.417 50 20 HBGD CCOC(=O)N[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CO[Si](C)(C)C 1797957010 XFSGLUSLWKVYCG-AYRXBEOTSA-N 417.535 -0.508 50 20 HBGD O=C1NCCCn2nc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)[C@@H](O)CCl)C4)cc21 1797966197 COSOHJPXHXVRSR-OXIQGZBJSA-N 409.874 -0.132 50 20 HBGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1nc[nH]n1 1807865625 FYSWRIFBNADOHP-DOTOQJQBSA-N 420.238 -0.487 50 20 HBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](O)CCl)[nH]n1)[C@H](O)N1CCOCC1 1819441563 FPGFJNPABCTDAW-DCGLDWPTSA-N 415.878 -0.348 50 20 HBGD O=C(CN1CCSCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830720004 QRAHQEGFVHBBSG-PBHICJAKSA-N 421.947 -0.909 50 20 HBGD Cc1noc(N)c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830722625 GLPXJWULPZRSET-MEDUHNTESA-N 402.835 -0.765 50 20 HBGD Cc1[nH]nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1F 1830725688 RALZCMOZNRVWCQ-ZBEGNZNMSA-N 404.826 -0.473 50 20 HBGD CC(=O)NCC(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834824761 LRWWAHDXGLAELD-OAHLLOKOSA-N 406.277 -0.636 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@@H]1F)CCO2 1839772901 WNVSKPOBKOKWFZ-DEYYWGMASA-N 400.451 -0.826 50 20 HBGD C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1840170445 GULQJQLMIDOHES-FQEVSTJZSA-N 408.499 -0.381 50 20 HBGD O=C(CCBr)N1CC2(CCCN2C(=O)CN2CCS(=O)(=O)CC2)C1 1841893889 XDKUXHPQSTXCQD-UHFFFAOYSA-N 422.345 -0.295 50 20 HBGD Cc1nc(N)sc1C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1842966887 CIYMTAJOWHUHLA-UHFFFAOYSA-N 400.269 -0.156 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1c(Cl)nc2sccn12 728510083 DPWKVXPMQQVXCG-YFKPBYRVSA-N 401.879 -0.704 50 20 HBGD CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NNC(=O)c1cnn[nH]1 729456220 XCMSZWVZPFSEFK-LLVKDONJSA-N 405.440 -0.281 50 20 HBGD O=C(NNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 749117579 JZMHYOKZWZDETD-MNOVXSKESA-N 421.522 -0.517 50 20 HBGD CCNC(=O)COc1cccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 755655702 LARXIFNVSDWZIH-JTQLQIEISA-N 401.445 -0.708 50 20 HBGD CCOc1ccccc1OCC(=O)NNC(=O)CN1CCN(S(C)(=O)=O)CC1 759149906 AJQXALXUZJBPRP-UHFFFAOYSA-N 414.484 -0.811 50 20 HBGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C(=O)Nc1cnn(-c2ncccn2)c1 763570850 JDBCKCXSEJRGHY-AWEZNQCLSA-N 409.362 -0.412 50 20 HBGD COc1c(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cccc1C(N)=O 763572700 NUMNQWZPZPLJBO-CQSZACIVSA-N 414.374 -0.280 50 20 HBGD Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)C(=O)NNC(=O)CO 764421888 OLKRZVPPRZLCNI-OAHLLOKOSA-N 400.439 -0.283 50 20 HBGD N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)NNC(=O)c2cccs2)c1 769742289 IBJJIFALZDXMMV-UHFFFAOYSA-N 422.444 -0.098 50 20 HBGD CCc1oc(C(=O)OC)cc1S(=O)(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 778563805 QLICIHMESDLARB-QMMMGPOBSA-N 409.442 -0.692 50 20 HBGD COC(=O)c1cnc(C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cn1 779646543 QTIXNGLRUVDTRV-UHFFFAOYSA-N 421.435 -0.347 50 20 HBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(CC(=O)N2CCN(C)CC2)cc1 784915275 JDOWXNCRNGIYGH-UHFFFAOYSA-N 404.471 -0.366 50 20 HBGD O=C(NNC(=O)[C@@H]1CC(c2c(F)cccc2F)=NO1)N[C@H]1CCS(=O)(=O)C1 785951291 SDTBKNNVPJQWJQ-UFBFGSQYSA-N 402.379 -0.025 50 20 HBGD CC[C@@]1(C)Oc2ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc2O1 785991113 PKSDQJCUIZCCJT-ABKXIKBNSA-N 414.440 -0.392 50 20 HBGD C[C@H]1CCCN(C(=O)C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)C1 805564117 FLRGRTATOMQISV-WFASDCNBSA-N 405.407 -0.225 50 20 HBGD C[C@@H](CN1C[C@@H](C)O[C@H](C)C1)C(=O)NN=Cc1c(N(C)C)n(C)c(=O)n(C)c1=O 807956699 BEJKDETVUBBCLG-BFHYXJOUSA-N 408.503 -0.655 50 20 HBGD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NNC(=O)[C@@H]1CCc2nncn2C1 816874685 IKVGDXWWMIHDBW-GFCCVEGCSA-N 401.383 -0.284 50 20 HBGD Cc1cccc(OCC(=O)NNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c1 914829806 WDRKDWBYYBCPNN-KBPBESRZSA-N 409.464 -0.443 50 20 HBGD O=C(CCCNC(=O)c1ccc(F)cc1F)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919883628 FIOYRDDCKNNBCF-LLVKDONJSA-N 418.422 -0.008 50 20 HBGD C[C@@H](C(=O)NNC(=O)CNC(=O)c1cccs1)S(=O)(=O)C1CCOCC1 1319282255 JFSOCCQWHAAJFK-JTQLQIEISA-N 403.482 -0.392 50 20 HBGD CS(=O)(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@@H](B(O)O)C1 1329292319 IINXUWNIIKYBQR-OCCSQVGLSA-N 416.692 -0.052 50 20 HBGD O=C(Cn1ccncc1=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781333624 IKQQJHBNPBVWKA-HIFRSBDPSA-N 417.235 -0.236 50 20 HBGD CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1781400488 QQWDOWNTKLVLGC-DNVCBOLYSA-N 411.503 -0.010 50 20 HBGD CN1CCC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)CC1 1783602217 FCKIHHWEBBETML-BZSNNMDCSA-N 423.558 -0.319 50 20 HBGD O=C(/C=C/c1cccnc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1794149830 JJFBPSWYPBYSOV-TWSPLFRISA-N 421.262 -0.322 50 20 HBGD N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c1 1795740236 IOBYUQQOROJJKT-JLVBRIDZSA-N 408.223 -0.917 50 20 HBGD CNC(=S)NCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796191421 JCRGIUXAYGTOHC-MUJYYYPQSA-N 418.328 -0.898 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@@H]3C=CS[C@@H]13)C2 1801013065 TVRHMJCVPWKYQN-LRVPVCRESA-N 408.524 -0.176 50 20 HBGD O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807373717 FAHNSXJKNXFXKF-OXQOHEQNSA-N 421.218 -0.831 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)CCC(N)=O)[C@@H]1c1cccnc1 1813075174 XQENQIPQEHIZQU-MGPUTAFESA-N 418.498 -0.274 50 20 HBGD Cc1[nH]nc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1F 1833667336 PCWVKXNGXPQIOI-BZNIZROVSA-N 404.826 -0.473 50 20 HBGD O=C1C[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)C(Cl)Cl)CCO3)C2)CCN1 1840190857 QLKBUZMBPHNLGL-MEDUHNTESA-N 408.282 -0.227 50 20 HBGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCNC(=O)C1)CCO2 1840231890 IWCGUNOORFPHMM-SUNYJGFJSA-N 401.891 -0.014 50 20 HBGD O=C1C[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C(Cl)Cl)C3)C2)CCN1 1840232620 CGVDYGABUCQETB-BZNIZROVSA-N 408.282 -0.227 50 20 HBGD CCOC(=O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840882009 AGKAIAAXKNKEDK-ACJLOTCBSA-N 420.890 -0.368 50 20 HBGD NC(=O)c1ccc(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)cc1 1843015134 MUEYLBOHVGLPJA-UHFFFAOYSA-N 407.235 -0.404 50 20 HBGD COc1ccc(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c2cccnc12 728509486 GFKCXWCWBRYTOX-SECBINFHSA-N 402.454 -0.509 50 20 HBGD CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)c2cnn(C)c2)cc1 735520929 BPRBPDQQICLKBI-UHFFFAOYSA-N 408.440 -0.492 50 20 HBGD COc1cccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)c1O 754425656 YOULPHRLLVBJNW-UHFFFAOYSA-N 407.404 -0.265 50 20 HBGD COCCNS(=O)(=O)c1ccc(NC(=O)NNC(=O)[C@@H]2COCCO2)cc1 756785017 RQFGOLRCDGYYIT-ZDUSSCGKSA-N 402.429 -0.821 50 20 HBGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)CN1CCN(S(C)(=O)=O)CC1 759279794 AIWBMCWEBBUDBJ-GFCCVEGCSA-N 402.448 -0.682 50 20 HBGD CCCOc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c(C)c1 764234360 XKLNQKKFNCUAEU-NSHDSACASA-N 400.457 -0.193 50 20 HBGD CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)C1 764615840 LTXKYGYVOXATQY-NWDGAFQWSA-N 405.473 -0.406 50 20 HBGD O=C(CNC(=O)c1ccncc1)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765733056 MCGOSHFPYAWJQZ-UHFFFAOYSA-N 424.461 -0.583 50 20 HBGD CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NNC(=O)[C@H]1COCCO1 768417429 NQTHIYDEIHOFOR-YPMHNXCESA-N 402.448 -0.785 50 20 HBGD COc1nc(O)cc(C(=O)OCC(=O)NNC(=O)c2ccc(OC)c(OC)c2)n1 770516283 SWHFUZMXAWZRAU-UHFFFAOYSA-N 406.351 -0.174 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2nccn2-c2ccccc2)n(C)c1=O 790166690 ROQQNTOOAPDADX-UHFFFAOYSA-N 406.406 -0.230 50 20 HBGD O=C(O)c1cc(S(=O)(=O)NNC(=O)[C@@H]2CCc3nncn3C2)cc2c1OCCO2 793449001 XDLHDPPSNRIUKA-SECBINFHSA-N 423.407 -0.680 50 20 HBGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)CCn3cnccc3=O)CC2)cc1 794391919 DGGXQMOZQZYTFB-UHFFFAOYSA-N 412.494 -0.093 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ccnc3c2nnn3C)cc1 801082291 NSYBYKOSTSRXJD-UHFFFAOYSA-N 417.451 -0.247 50 20 HBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 806873129 SXMKSCRUAIUZPK-UHFFFAOYSA-N 410.416 -0.594 50 20 HBGD COc1ccc(S(=O)(=O)NCC(=O)NNc2ncnc3[nH]cnc23)cc1OC 810424186 KNYUJPGMDQHXET-UHFFFAOYSA-N 407.412 -0.208 50 20 HBGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNC(=O)N2CCN(C)CC2)[C@H](C)O)cc1 819720725 FRBRLCVZGVYZCD-DZGCQCFKSA-N 413.500 -0.989 50 20 HBGD COC(=O)NNC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 915330878 NWOJMQPBMKTHCK-SNVBAGLBSA-N 406.442 -0.456 50 20 HBGD O=C(CN1CCCC1=O)NNC(=O)Cn1cnc2ccc(Br)cc2c1=O 915637098 HYZZQALOBJVUQW-UHFFFAOYSA-N 422.239 -0.071 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCC=CO3)C2)C1 1778985583 UKMHFYKNXXWFQO-YLJYHZDGSA-N 400.240 -0.497 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)Cc3cnc[nH]3)CCO2)C1 1779030204 JMXGZZKUSKKAHI-IBGZPJMESA-N 413.438 -0.906 50 20 HBGD COc1cnc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)cn1 1783936257 KMTGRSLNKLZBAM-LJQANCHMSA-N 420.470 -0.698 50 20 HBGD N#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788610596 JSNCLBWOCBAFMW-RCBQFDQVSA-N 400.439 -0.418 50 20 HBGD CC(=O)C[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1791221894 AUWCIQBDJVEIKJ-HJWJTTGWSA-N 410.515 -0.046 50 20 HBGD C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791291268 QYDZJFSNOKDOJB-QAETUUGQSA-N 424.542 -0.088 50 20 HBGD CCC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)N1CCOCC1)C2 1793449306 SYDYXTBXDCRZDW-CEEVZKBLSA-N 403.907 -0.366 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cncc(F)c1 1794848714 WFOBTWBYAYZHMJ-JLVBRIDZSA-N 413.214 -0.583 50 20 HBGD O=C(CN1CC(=O)NC1=O)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@H]1c1cccnc1 1804183689 RJQHUYPWRNKPAM-XEZPLFJOSA-N 423.857 -0.761 50 20 HBGD COCCOCC(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809976629 LGWLKHNKPDGFMK-UHFFFAOYSA-N 418.299 -0.126 50 20 HBGD CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)CCC1 1829680059 QXYHJGHBZNPNMI-OAQYLSRUSA-N 416.283 -0.373 50 20 HBGD COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)nn1C 1830731240 IOMJOBOTYLFODL-DYVFJYSZSA-N 416.862 -0.902 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccco1)CCO2 1833920113 AIZPRGNJWWUITD-FQEVSTJZSA-N 414.223 -0.657 50 20 HBGD CCn1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)n1 1834401442 IIJNLZRBSLSSRM-WMLDXEAASA-N 400.863 -0.427 50 20 HBGD CC[S@](=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](Cl)COC)C2)C1 1837247323 XCZOBQNAOXKVHE-YKSJCTFJSA-N 424.947 -0.145 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1837363062 BIMRURWUGRSPOR-JKSUJKDBSA-N 421.281 -0.445 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C(F)F)C2)C1 1837457014 SCDWKUQKDMYUJF-KRWDZBQOSA-N 413.381 -0.980 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1840035678 ZWADFVUSBXYIAV-OZVIIMIRSA-N 418.288 -0.638 50 20 HBGD O=C([C@H]1CCc2nc[nH]c2C1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012836 UOKQFYPNMOFJIS-HNNXBMFYSA-N 408.267 -0.288 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)[C@H]2CCNC(=O)C2)C1 1846422174 GMYSAAVNJYDCQO-WQEJZQBCSA-N 414.466 -0.150 50 20 HBGD O=C(CN1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1)NNC(=O)C1CC1 733194388 OAQBMGLHEDBUDD-UHFFFAOYSA-N 406.468 -0.573 50 20 HBGD N#Cc1ccc(C(=O)NNC(=O)CN2CCN(c3ncccc3C(N)=O)CC2)cc1 744395273 QAEBDQDGXFMCDO-UHFFFAOYSA-N 407.434 -0.365 50 20 HBGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1ccc([S@](C)=O)cc1 746369125 NAXZJNDWGOAEID-MHZLTWQESA-N 409.493 -0.151 50 20 HBGD COCCN(C)S(=O)(=O)[C@@H]1CCCN(CC(=O)NNC(=O)c2cccs2)C1 753784779 GUHPFNLNYJAVRK-CYBMUJFWSA-N 418.541 -0.119 50 20 HBGD C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1 755047887 ACTKWAOQHGASJE-GHMZBOCLSA-N 413.431 -0.159 50 20 HBGD COCc1ccccc1NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 755807783 WACGLEMAPICGNF-UHFFFAOYSA-N 415.410 -0.567 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 757987618 YDBLZZIUHYQITR-VIFPVBQESA-N 409.403 -0.027 50 20 HBGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1c(OC)ncnc1N(C)C 764133050 SNOIMPPUJCYVBO-UHFFFAOYSA-N 402.411 -0.112 50 20 HBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 764300482 REXHOMZYDKVLEK-UHFFFAOYSA-N 412.468 -0.161 50 20 HBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)[C@H]1CC(=O)N(c2c(F)cccc2F)C1 770607132 SANUCXTTXNAPQH-ZJUUUORDSA-N 401.391 -0.100 50 20 HBGD COC(=O)Cn1ncc(NC(=O)C(=O)NNC(=O)COc2ccc(C)cc2)c1C 796989165 AFPQIZKPUNLDMS-UHFFFAOYSA-N 403.395 -0.162 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCc2nnc3n2CCC3)cc1 916235433 UJEXQTYIMGFKMS-UHFFFAOYSA-N 421.483 -0.316 50 20 HBGD Cn1c(NNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)nc2ccccc2c1=O 1318560592 MTZQDQWQVUTELA-VXGBXAGGSA-N 419.463 -0.588 50 20 HBGD CNCCCC(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779031825 ZIOZOVIBTHMCAA-LJQANCHMSA-N 404.471 -0.872 50 20 HBGD Cc1cnn([C@H](C)C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1 1783937075 FOFQSSKIDUXRNY-UZLBHIALSA-N 420.514 -0.045 50 20 HBGD C[C@@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783937571 UTGFIVVVGXNHSO-WBMJQRKESA-N 419.320 -0.027 50 20 HBGD Cc1[nH]ccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786979771 FTGUEAIMUIRGBK-SNRMKQJTSA-N 411.267 -0.090 50 20 HBGD C[C@@H]1CC[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)O1 1788160220 BSTHYWUYEQLCTD-VXKGYBDPSA-N 416.283 -0.473 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)c1ccc2nncn2c1 1788371169 UOCGPHLSAUGEKE-XQLPTFJDSA-N 407.858 -0.078 50 20 HBGD CC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21 1789858984 UKSAYIXBYQYDQA-RVMXOQNASA-N 400.863 -0.465 50 20 HBGD CCNC(=S)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](Cl)COC)[C@H]2C1 1791256493 ABNNWBVTUHCJGT-XUXIUFHCSA-N 420.963 -0.296 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CC(F)(F)C1 1792603711 VDQZXTYXWMWACT-YWVIFJGQSA-N 402.442 -0.006 50 20 HBGD CC(C)c1nc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)no1 1792975157 KYSWJTHHXJSKGO-OXIQGZBJSA-N 400.863 -0.075 50 20 HBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN)C2 1793881171 SUWQPWOGVMDPJW-OPDFLTKYSA-N 404.895 -0.333 50 20 HBGD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)ccc1O 1799553107 HUXKETGRYJMOAI-XEMDLRDOSA-N 424.262 -0.103 50 20 HBGD CN[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2)C(=O)O 1830358445 BZODWJHBHRTUFC-ACJLOTCBSA-N 419.906 -0.230 50 20 HBGD Cc1c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cnn1C 1830724016 CDGHJQXJDFDOGH-PBHICJAKSA-N 400.863 -0.602 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3csnn3)CCO2)C1 1831755654 XVUQTSNKFWDGEO-NHYWBVRUSA-N 404.876 -0.138 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CCC1)CCO2 1834635871 NETQYEJIKCJTDP-HXUWFJFHSA-N 417.466 -0.445 50 20 HBGD O=C(C1=CCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835929462 PULYPOCFNFEWDQ-NRFANRHFSA-N 414.267 -0.453 50 20 HBGD CCC(=O)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837921753 XVOZZIVSDBSYOZ-UHFFFAOYSA-N 416.283 -0.042 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)n[nH]3)C2)C1 1840031764 BRWDBDOMVTWRRO-ZUZCIYMTSA-N 417.260 -0.031 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)[C@H](C)CC(N)=O)C2 1843415361 NEQLDPSJQYHCQX-IHYLXSPPSA-N 402.455 -0.165 50 20 HBGD CC(C)(C)OC(=O)CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(B(O)O)c1 1847937756 MERCTSHYJXXHFN-HOTGVXAUSA-N 402.256 -0.086 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CCCNC(=O)c1ccc(Cl)cc1 729276114 XERLVJOAMPXFBO-SNVBAGLBSA-N 404.876 -0.065 50 20 HBGD C=CCNS(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 732307233 DTYYSYSACAMSFA-LBPRGKRZSA-N 401.466 -0.653 50 20 HBGD O=C(CNC(=O)c1ccc(Br)cc1)NNC(=O)[C@H]1CCS(=O)(=O)C1 732307975 PMKLJBCWOFTTCZ-JTQLQIEISA-N 418.269 -0.239 50 20 HBGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)C1CCN(S(C)(=O)=O)CC1 734241238 JXNXCLFTBNZBFO-UHFFFAOYSA-N 407.493 -0.487 50 20 HBGD CCS(=O)(=O)N1CCC[C@H](C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)C1 734242196 WWYGJFHCGNRJCW-LBPRGKRZSA-N 421.520 -0.097 50 20 HBGD O=C(NNC(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2)[C@@H]1CCS(=O)(=O)C1 749477457 YYXLATMKSUGRSW-CHWSQXEVSA-N 423.447 -0.398 50 20 HBGD Cc1cc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)n(C2CCN(C)CC2)n1 756891108 DAHBHFUGUHEROL-NSHDSACASA-N 401.493 -0.451 50 20 HBGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 763572758 OWQXIYJQNDQMTF-BBRMVZONSA-N 415.406 -0.012 50 20 HBGD CC[C@H](C)Oc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1 764228566 YFZWXBXBYJAPGR-QWRGUYRKSA-N 400.457 -0.113 50 20 HBGD CNC(=O)[C@H]1CCC[C@H]1NC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 766274761 GUBMULRWTYQTTE-UONOGXRCSA-N 411.484 -0.204 50 20 HBGD COC(=O)NCCCC(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766643278 AIDKZADIUPUQBZ-UHFFFAOYSA-N 405.455 -0.272 50 20 HBGD COCCO[C@H]1C[C@@H](CO)CN(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)C1 773962400 IJEVUUQJGWULBU-CJNGLKHVSA-N 410.427 -0.298 50 20 HBGD COC(=O)CNC(=O)NN=C(C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 779818907 YOPWOXKHLIGGDC-UHFFFAOYSA-N 420.469 -0.392 50 20 HBGD Cc1csc(CC(=O)NNC(=O)CN2CCC[C@H](CN(C)S(C)(=O)=O)C2)n1 796123103 USMYVQKAVPOORF-CYBMUJFWSA-N 417.557 -0.255 50 20 HBGD Cn1cc(C=NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c(=O)n(C)c1=O 839396901 XLWVCDGLBSAKCC-UHFFFAOYSA-N 419.463 -0.368 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1C 880177029 OVBWDRPTCUZVKS-ZDUSSCGKSA-N 417.509 -0.494 50 20 HBGD COc1ccc2c(c1)C(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)CCO2 912808602 CBJHCHZUQMWRTI-UHFFFAOYSA-N 405.436 -0.117 50 20 HBGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)Cc2ccc(S(N)(=O)=O)s2)c1 915197490 WVWAQLPYUJBCSE-UHFFFAOYSA-N 417.490 -0.197 50 20 HBGD CCn1nc(C(=O)NNC(=O)CCCN2C(=O)CNC2=O)c2ccccc2c1=O 920250863 ROGRJNVSLPKOLW-UHFFFAOYSA-N 400.395 -0.491 50 20 HBGD CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)O1 1320618080 MOSCOCUNSDCFMW-SMDDNHRTSA-N 416.438 -0.487 50 20 HBGD O=C(COc1cccnn1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2 1782518543 NQECKEKMPQOAEA-HBUWYVDXSA-N 412.874 -0.031 50 20 HBGD CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Cl 1796366878 JYFRXBGXHJRFNZ-TUTUZKQUSA-N 409.842 -0.047 50 20 HBGD O=C(COC(=O)C(F)(F)F)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1797652683 QAEBEZPZEHJYGC-DKIAZLNASA-N 402.753 -0.719 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC=CO1 1797719752 YWMAXAHDRKJIBL-RMHZUWNSSA-N 415.450 -0.419 50 20 HBGD COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1800954733 XQWLNTXNOYDJPX-JXEZDRHFSA-N 414.886 -0.069 50 20 HBGD CN(C)C(=O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1817171325 ZYMCWFZSOOHLMN-HNNXBMFYSA-N 413.243 -0.516 50 20 HBGD O=C(c1ccncc1F)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830727774 DSIDGJANXRZAMG-PBHICJAKSA-N 401.822 -0.110 50 20 HBGD Cc1ccn(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)n1 1833080536 BFEFVFBUIUNQHY-WMLDXEAASA-N 400.863 -0.752 50 20 HBGD O=C1C[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)CN1 1834824791 MMSAIIQRIRCHAG-WBMJQRKESA-N 418.288 -0.636 50 20 HBGD O=C(c1cc(Cl)ncn1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1838254894 YUSJOPCFFJODFQ-BLLLJJGKSA-N 419.265 -0.200 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)N(C)C)C2)C1 1840032295 UKOAYAZDPOXRKQ-NHYWBVRUSA-N 406.277 -0.686 50 20 HBGD C[C@@H]1Cc2cc(C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)ccc2N1S(C)(=O)=O 9931078 GIHBSFGDSLIZKZ-ZYHUDNBSSA-N 415.493 -0.407 50 20 HBGD CC(C)NC(=O)C(=O)NNS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1 728170303 CSAXBPNUWHNSRK-UHFFFAOYSA-N 410.374 -0.187 50 20 HBGD O=C(CSc1nnnn1C1CC1)NNC(=O)C1CCN(c2ncccn2)CC1 728847401 DDIONARFJUAVFR-UHFFFAOYSA-N 403.472 -0.046 50 20 HBGD C[C@@H]1CN(CCC(=O)NNC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)C[C@@H](C)O1 732261901 OYTSJGZIPZASEL-CPUCHLNUSA-N 416.482 -0.247 50 20 HBGD C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)c1cn(CC(N)=O)nn1 742478611 NDWLNIOWZYOBTP-QMMMGPOBSA-N 411.216 -0.246 50 20 HBGD Cn1cc(-n2cc(C(=O)NNC(=O)c3nn(C)c(=O)c4ccccc34)ccc2=O)cn1 760797107 CZQHGXBNLADGPL-UHFFFAOYSA-N 419.401 -0.107 50 20 HBGD CCOC(=O)c1cc(F)c(F)cc1NC(=O)C(=O)NNC(=O)[C@H]1COCCO1 764432772 JSLLZGIMBJHZCE-GFCCVEGCSA-N 401.322 -0.357 50 20 HBGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 788864741 ZEIWQVQHXOVIQT-UHFFFAOYSA-N 416.419 -0.416 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2cccc(F)n2)cc1 793021604 GRWZVBLKROZFMT-UHFFFAOYSA-N 423.426 -0.064 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1 801109585 UTMRQKOILWJSAX-TZMCWYRMSA-N 422.463 -0.883 50 20 HBGD COc1ccc(CCC(=O)NNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1 919836267 JHGIPTQTODMBNT-LSDHHAIUSA-N 423.491 -0.189 50 20 HBGD C[C@H]1CN(CCC(=O)NNC(=O)CCc2nc(O)c3cnn(C)c3n2)C[C@H](C)O1 1251779954 XCPPGANPUUQAGG-RYUDHWBXSA-N 405.459 -0.352 50 20 HBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)Cn1cc(C2CC2)nn1 1323992508 VAIIDTNAAQOTMK-UHFFFAOYSA-N 411.466 -0.239 50 20 HBGD Cc1nccnc1C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1779785330 PFNRDBPFXAHVSH-IBGZPJMESA-N 404.471 -0.398 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)CSc3nc[nH]n3)CCO2)C1 1783878943 LMQJOKMYVKPIBU-XHDPSFHLSA-N 403.892 -0.020 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1783879048 NTIANFLXQNEHDB-YGRLFVJLSA-N 415.796 -0.251 50 20 HBGD C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1)N1C[C@H]2C[C@H]2C1 1783935150 ODKUTNHFFSWPOO-PZTGFMGMSA-N 421.542 -0.471 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cncs1 1794913259 TYQVYHGNXINPLO-YWVIFJGQSA-N 401.253 -0.660 50 20 HBGD C[Si](C)(C)OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(O)nc1O 1796346843 HWRZBTCXPGUSJS-GNXNZQSNSA-N 410.503 -0.058 50 20 HBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1nc(N)n[nH]1 1797628161 SZPPKAWMTQSKCP-MIJXAVMKSA-N 400.867 -0.837 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)N1CCOCC1)C2 1799277152 SHJFEHYVIXHAJA-QFRSUPTLSA-N 424.325 -0.537 50 20 HBGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1nc(N)n[nH]1)C2 1800758983 BOTPDGHHSSOLBI-ORXSELOVSA-N 415.292 -0.308 50 20 HBGD C[C@@H](CC(N)=O)C(=O)N1CCCC2(CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1 1806130435 QTNOMZDVGZBXFX-HNNXBMFYSA-N 415.299 -0.277 50 20 HBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@H](O)N2CCOCC2)[nH]n1)[C@@H](O)CCl 1814873255 OFDSNNJIAHJDAV-XEZPLFJOSA-N 415.878 -0.348 50 20 HBGD O=C(c1ccc(=O)oc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830725438 OMOXFINBTSTDDN-GUYCJALGSA-N 400.815 -0.691 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731831 QMVYBTIHTDIOQV-BBRMVZONSA-N 408.955 -0.106 50 20 HBGD O=C1CCCCN1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830737679 HZCZZPWHLOZWEL-KDOFPFPSSA-N 417.890 -0.945 50 20 HBGD CCc1[nH]nc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1F 1833732733 DZGDKJNSSAFBTO-PXAZEXFGSA-N 418.853 -0.219 50 20 HBGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)N(C)C)CCO2)C1 1835436258 RPTCGAFDLUTZKZ-BLLLJJGKSA-N 420.304 -0.296 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)no3)CCO2)C1 1838111468 WVNCMQDKGPJMAA-BZNIZROVSA-N 403.819 -0.296 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)n3)C2)C1 1839145116 VFDSHWCVBFYSQZ-GTNSWQLSSA-N 414.846 -0.025 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C(/C)C(=O)O)C2)C1 1840156466 PPMKLGXRXGFAGX-YPGXOENKSA-N 404.847 -0.273 50 20 HBGD C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840167288 HVDTVMRFRWCEST-NRFANRHFSA-N 414.267 -0.760 50 20 HBGD C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012063 ZNFJCCRXGQFFAN-UHFFFAOYSA-N 400.240 -0.307 50 20 HBGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)c1 50532727 ZCTDAOKPMWGQLU-LLVKDONJSA-N 405.454 -0.539 50 20 HBGD CN(CCc1ccccn1)C(=O)CNC(=O)NNC(=O)CNC(=O)c1ccco1 727479256 FRGDJADVMKBFTG-UHFFFAOYSA-N 402.411 -0.564 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CCC(=O)N1CCC(c2ccccc2)=N1 729275000 JGKFDGIUJLTRMU-GFCCVEGCSA-N 409.468 -0.512 50 20 HBGD CCCCS(=O)(=O)N1CCC[C@H]1C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 734124219 XXFQDHVDRIQDNJ-NEPJUHHUSA-N 410.518 -0.902 50 20 HBGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)Cn2c(=O)nc(O)c3ccccc32)c1 744530385 JETSOYCUGCOQJU-UHFFFAOYSA-N 421.369 -0.022 50 20 HBGD CCOc1ccc(S(=O)(=O)N[C@H](CCSC)C(=O)NNC(=O)CO)cc1 753438675 HMWOLMYJKZZCIX-CYBMUJFWSA-N 405.498 -0.375 50 20 HBGD COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 758052879 JVCKWXIRHUHPAI-ZETCQYMHSA-N 417.835 -0.977 50 20 HBGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccccc2N(C)S(C)(=O)=O)n1 763884179 CFDOYBPGSHSMKV-UHFFFAOYSA-N 422.467 -0.318 50 20 HBGD CCN(CC)Cc1cccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 764226326 HVQHJIKVOBSUKF-GFCCVEGCSA-N 413.500 -0.448 50 20 HBGD CN(C)S(=O)(=O)c1ccc(O)c(C(=O)NNc2nc(O)c3cnn(C)c3n2)c1 768146799 UJHSMKRGWXYLHJ-UHFFFAOYSA-N 407.412 -0.218 50 20 HBGD CC[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)cc1 783998590 DFTVPMBJPUMQRE-GFCCVEGCSA-N 403.439 -0.077 50 20 HBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)[C@@H]2CCc3nncn3C2)ccc1OC 793449351 ZWGSKIJPROGHED-SNVBAGLBSA-N 409.424 -0.355 50 20 HBGD CNC(=O)c1cc(Oc2cccc(NC(=O)C(=O)NNC(=O)CN(C)C)c2)ccn1 815569111 HYTSJZPHXZSUHX-UHFFFAOYSA-N 414.422 -0.119 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CCCN2C(=O)CCC2=O)cc1 915594407 OMPUBJPPBSMYHW-UHFFFAOYSA-N 424.479 -0.308 50 20 HBGD CN1CCN(C(=O)c2ccc(CNC(=O)NN[C@@]3(C)CCS(=O)(=O)C3)cc2)CC1 916389918 CXWLMKAUSOHPAH-IBGZPJMESA-N 423.539 -0.045 50 20 HBGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C1=CC=CN2CCS(=O)(=O)N=C12 921235297 OSTAXISYLVZKNK-AWEZNQCLSA-N 404.404 -0.529 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)c3nc4ncccn4n3)C2)C1 1777833639 UAMLXLNHLXWLLV-SJCJKPOMSA-N 408.846 -0.178 50 20 HBGD C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1)n1cnnn1 1781334422 NHPMTALYABESOW-BREBYQMCSA-N 405.228 -0.246 50 20 HBGD C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1)n1cnnn1 1781334431 NHPMTALYABESOW-GIPNMCIBSA-N 405.228 -0.246 50 20 HBGD CCNC(=S)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1790569319 TTYATAQDEOVYEJ-RVMXOQNASA-N 406.936 -0.950 50 20 HBGD CCC[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 1793445626 OONVXKGYZXKMQK-ZUDIRPEPSA-N 400.863 -0.418 50 20 HBGD Cc1onc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c1C 1795732869 OGPIUSVNHXJMRO-JLVBRIDZSA-N 413.239 -0.512 50 20 HBGD C=CCC(F)(F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1800544187 QFEHJTBHNWYDFI-MIFYACCESA-N 408.210 -0.219 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(N(C)C)o1)C2 1801009448 JDNOHZMPBVLRDN-FVCICTRLSA-N 422.486 -0.683 50 20 HBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)[nH]n1)[C@H](O)CCl 1814867119 GBCXOWLBJMCWPI-GHMZBOCLSA-N 412.834 -0.447 50 20 HBGD CC[C@@H](O)C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815335694 KRYDUXCDZRSGLI-TZMCWYRMSA-N 403.269 -0.180 50 20 HBGD CN1CCC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)CC1 1829885539 HZPNHQRHIXMURQ-CRAIPNDOSA-N 403.907 -0.616 50 20 HBGD CCc1nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)co1 1830732926 YSOBLQVQHXXHHE-DYVFJYSZSA-N 401.847 -0.093 50 20 HBGD C[C@H](CN)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834657905 NHOPCDHUEPLYRB-OAHLLOKOSA-N 416.331 -0.854 50 20 HBGD CC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1839860563 BAQFZPJCHKCDJX-IAQYHMDHSA-N 406.277 -0.638 50 20 HBGD CN(C)c1ccc(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)nc1 1842276996 DGFMWBYPAXTRQK-UHFFFAOYSA-N 408.267 -0.042 50 20 HBGD O=C(c1ccc2c(n1)OCCO2)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013755 IXZWHDLZYNUYKR-UHFFFAOYSA-N 423.234 -0.337 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)NCCNS(=O)(=O)Cc1ccccc1 725872146 VBKZRIPRLNFDCS-UHFFFAOYSA-N 423.451 -0.541 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CNC(=O)c1cccc(Br)c1 729274678 AAWTYQYVEDBUIJ-MRVPVSSYSA-N 421.273 -0.736 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(I)cc1 729274718 BBMANTJAYBOOMN-SSDOTTSWSA-N 411.221 -0.010 50 20 HBGD C[C@H](CNC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12)CN1CCOCC1 739047570 BODZBUUEIALVQQ-CYBMUJFWSA-N 402.455 -0.154 50 20 HBGD COc1ccc(C(=O)NNC(=O)C(=O)NC(C)C)cc1S(=O)(=O)N1CCCC1 744447140 YXMJWNJEWTYBRV-UHFFFAOYSA-N 412.468 -0.235 50 20 HBGD CSC[C@H](C(=O)NNC(=O)C(=O)N1CCCC1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 748247129 UUHFWUFCZNPXAZ-FRRDWIJNSA-N 410.496 -0.337 50 20 HBGD Cc1cccnc1C(=O)NNC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 752242017 PUIMLPDCBJYVHH-UHFFFAOYSA-N 419.463 -0.051 50 20 HBGD Cn1cnn(-c2ccc(NC(=O)C(=O)NNC(=O)COCc3ccccc3)cc2)c1=O 764362728 HLUAODFAKSXHLU-UHFFFAOYSA-N 424.417 -0.126 50 20 HBGD COc1nc2sccn2c1C=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 764815901 IMYCDFBVYSIEIS-UHFFFAOYSA-N 416.423 -0.698 50 20 HBGD Cc1nn(C)c2ncc(C=NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc12 764818759 VAMHQGZNHAXNCT-UHFFFAOYSA-N 409.410 -0.826 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CC(C)(C)c2ccccc2)n(C)c1=O 765721851 LVSVXVOWBGOSBJ-UHFFFAOYSA-N 412.450 -0.051 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3ccon3)CC2)cc1 766635791 FEDZMXJDKWZXAY-UHFFFAOYSA-N 407.452 -0.249 50 20 HBGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)C[C@@H]3SC(=N)NC3=O)CC2)cc1 766647913 HGDZIBFCZPZCEG-HNNXBMFYSA-N 418.523 -0.184 50 20 HBGD CN(C)CCN1C[C@H](C(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)CC1=O 772897760 LSHRKBOEMMEHNL-CYBMUJFWSA-N 409.874 -0.486 50 20 HBGD Cc1c(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)nnn1-c1ccn(C)n1 814365771 UZNCCYWYVXMOAS-UHFFFAOYSA-N 417.455 -0.323 50 20 HBGD O=C(NNC(=O)[C@H]1CCCO1)C(=O)Nc1cccc(OCC(=O)N2CCCC2)c1 815779755 UCTWFGXYTSONAO-OAHLLOKOSA-N 404.423 -0.047 50 20 HBGD Cn1c(=O)nc(O)c2c(C(=O)NNC(=O)[C@@H]3CCc4nncn4C3)cc(C3CC3)nc21 816875294 WEOLZWKDSPLTCS-SNVBAGLBSA-N 424.421 -0.473 50 20 HBGD CCN(CCCNC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12)S(C)(=O)=O 918119413 VMJHRQNVUBRKOS-UHFFFAOYSA-N 424.483 -0.451 50 20 HBGD C[C@@H]1CN(CCC(=O)NNC(=O)CCc2nc(O)c3cnn(C)c3n2)C[C@@H](C)O1 1251779956 XCPPGANPUUQAGG-VXGBXAGGSA-N 405.459 -0.352 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780337903 MPRDLNAAELUBEF-LJQANCHMSA-N 402.455 -0.297 50 20 HBGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(O)nc3O)C[C@@H]21 1791253980 GKDVZGNUXJILBO-BQUFFADESA-N 414.846 -0.265 50 20 HBGD CSCC[C@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796190329 PAMNGSZKQSVTCJ-YVSFHVDLSA-N 406.313 -0.268 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H]1CCCCO1)C2 1801010695 QIESPEPCDPQJKB-QOIOWGMHSA-N 410.515 -0.092 50 20 HBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2nc[nH]n2)[nH]n1)c1cccc(B(O)O)c1 1817475204 MRZWXBGVDSLRHA-CQSZACIVSA-N 409.215 -0.173 50 20 HBGD O=C1CC[C@@H](C(=O)NC2CCN(C3CCN(C(=O)[C@H](O)CCl)CC3)CC2)CN1 1833118300 NNOATGAUUAXFAT-CZUORRHYSA-N 414.934 -0.316 50 20 HBGD O=C(NC1CCN(C2CCN(C(=O)CN3CCCC3=O)CC2)CC1)[C@H](O)CCl 1833309091 MLDDXDGZPVTGNM-MRXNPFEDSA-N 414.934 -0.220 50 20 HBGD CC(=O)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1834383790 FTGJOIYCDRMHDM-UHFFFAOYSA-N 401.272 -0.859 50 20 HBGD O=C1CCCCN1CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1840104819 DZYSGGHXZZMGOR-DOTOQJQBSA-N 405.854 -0.010 50 20 HBGD NS(=O)(=O)c1ccc(F)c(C(=O)NNC(=O)CNC(=O)c2cccs2)c1 733368628 CDXSXDSPXSPPMQ-UHFFFAOYSA-N 400.413 -0.274 50 20 HBGD Cc1nn(CCCl)c(C)c1C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 735836894 NIAWGEIWIWSQTA-UHFFFAOYSA-N 411.890 -0.118 50 20 HBGD NC(=O)c1ccc(/C=C/C(=O)N2CCC[C@@H]2C(=O)NNC(=O)[C@H]2COCCO2)cc1 744648902 RAUCJKBDNITEHU-IDSJHHPBSA-N 416.434 -0.648 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cnn(-c2ccccn2)c1C(F)(F)F 758049031 XUHRQYHQIBAIJR-QMMMGPOBSA-N 420.373 -0.015 50 20 HBGD C=CCN1C(=O)C(=O)N(CC(=O)NNC(=O)c2cc(-c3cccs3)[nH]n2)C1=O 768263628 WAZSHVVPXBWPKO-UHFFFAOYSA-N 402.392 -0.124 50 20 HBGD C[C@H]1CN(CCC(=O)NNC(=O)c2ccc(S(=O)(=O)N(C)C)nc2)C[C@H](C)O1 771712870 HZLUNNWMAPXTOP-STQMWFEESA-N 413.500 -0.408 50 20 HBGD COc1ccccc1[C@@](N)(C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(F)(F)F 776103697 ZJGIWXRSZCPASM-YMTOWFKASA-N 409.386 -0.006 50 20 HBGD CN1CCN(C(=O)NNC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 788168846 FQHVMKORIZFYNV-ZDUSSCGKSA-N 403.439 -0.201 50 20 HBGD CCOC(=O)c1cc(COC)cc(S(=O)(=O)NNC(=O)C(=O)NC(C)C)c1 793352240 IXHJJXILGPCIEL-UHFFFAOYSA-N 401.441 -0.156 50 20 HBGD Cc1noc(C)c1S(=O)(=O)NCC(=O)NNC(=O)Cc1cn2ccccc2n1 810467063 ZSNRBVZDYOSYRL-UHFFFAOYSA-N 406.424 -0.392 50 20 HBGD CCS(=O)(=O)N1CCC[C@@H](C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)C1 918565754 TZWBPYHPFVVZKT-CYBMUJFWSA-N 417.509 -0.087 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3ccc(C(N)=O)nc3)cc2)CC1 1251590281 RGQSLTMYAUQTGP-UHFFFAOYSA-N 418.479 -0.127 50 20 HBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)c1ncon1 1779931678 RZUJISXDOQAMHJ-DNVCBOLYSA-N 414.227 -0.809 50 20 HBGD CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnccc4C(=O)NN)C[C@@H]32)COC1 1783668971 CGXVXEXUGIFDLF-RCBQFDQVSA-N 417.466 -0.685 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1ccn(C)n1)CCO2 1783934084 XNBZWGFYTRORDC-LJQANCHMSA-N 406.487 -0.835 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1cncnc1)CCO2 1783936231 JCTNVJPQZSQKCD-LJQANCHMSA-N 404.471 -0.778 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4ncccc34)C[C@@H]21)[C@@H](O)CCl 1784091301 ZHSBOEGWIJKIFE-MZGVZZPPSA-N 407.858 -0.078 50 20 HBGD CCn1nccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1786180626 TUEVBUFCBXUOQY-ZOBUZTSGSA-N 420.514 -0.131 50 20 HBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CC3(F)F)C[C@@H]21 1788611169 NJEDQQBDSOTDKI-HPEDKQMDSA-N 423.420 -0.066 50 20 HBGD COc1ccc([C@H](O)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)cc1 1792975750 WWDMNEGFUSLHBT-KUHBDSFDSA-N 412.870 -0.082 50 20 HBGD CCC(=O)N[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1793452865 USXWAORQXGPDBH-SJWGOKEGSA-N 401.272 -0.467 50 20 HBGD CCC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CC(=O)NC1=O 1793829914 OVDYTVLYUHTDFU-OXIQGZBJSA-N 400.863 -0.465 50 20 HBGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCCC1=O 1795452997 VGNVWDWHGNGOTQ-MCYUEQNJSA-N 402.289 -0.018 50 20 HBGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cncn1 1795849537 MDKKBCCEOONCSP-NRWUCQMLSA-N 400.277 -0.101 50 20 HBGD CC(=O)N(C)[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796189222 MJMTUVZVEREUOR-BIMQEMHKSA-N 401.272 -0.515 50 20 HBGD CC[C@@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)Br)C2 1796321979 KBCTXPULSFHHBQ-HGCLJGPKSA-N 405.293 -0.194 50 20 HBGD C[C@H](Nc1cnccn1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1798460337 HLNDZUZPLBIEPC-RUGDWHBFSA-N 423.282 -0.091 50 20 HBGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1nc[nH]n1 1807865628 FYSWRIFBNADOHP-RDJZCZTQSA-N 420.238 -0.487 50 20 HBGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)C1CC(O)C1)CC2)c1cccc(B(O)O)c1 1815349979 BOZYUNZPSVLGKC-HRDQMINSSA-N 415.280 -0.180 50 20 HBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1C=CCN1)CC2 1826085514 XVLYZYGEEXSBJW-YPMHNXCESA-N 406.512 -0.044 50 20 HBGD O=C(c1coc(Cl)n1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830725230 MBURJBRSWSHADZ-IAQYHMDHSA-N 408.238 -0.002 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cc[nH]n3)CCO2)C1 1839723370 SJZXECCTQWVNLS-WMLDXEAASA-N 400.863 -0.338 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn(C)n3)C2)C1 1840151178 XEKKITSCEWVABM-CXAGYDPISA-N 400.863 -0.256 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C2 1846362938 FZXWEHVDHIXBBP-ZIAGYGMSSA-N 404.847 -0.062 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 729276910 OEERQKKHPYPNBC-NXEZZACHSA-N 402.860 -0.222 50 20 HBGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)c1c[nH]nc1C 731852912 KRVROWIJHWNPDK-UHFFFAOYSA-N 423.451 -0.178 50 20 HBGD C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)NNC(=O)C(=O)N1CCCC1 735585075 AHUGCYCWYHQHGS-HNNXBMFYSA-N 403.487 -0.455 50 20 HBGD C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C(=O)N1c1cnn(C)c1 743512413 VKTQLDCDWUVCOK-IAQYHMDHSA-N 424.425 -0.466 50 20 HBGD CCc1c(C(=O)NNC(=O)C(=O)NC(CC)CC)cnc2c1c(=O)n(C)c(=O)n2C 754051541 DTODGKMFHPAVPG-UHFFFAOYSA-N 418.454 -0.740 50 20 HBGD O=C(NNC(=O)c1ccc2c(c1)OCO2)Nc1cnn(CC(=O)N2CCOCC2)c1 756834570 HFVPAHIRDOPAPT-UHFFFAOYSA-N 416.394 -0.063 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2cccc3c2OCO3)n(C)c1=O 757997033 YBCLUHKVTTURBA-UHFFFAOYSA-N 415.366 -0.985 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 758033919 BCXAKKJUWUVGCT-NXEZZACHSA-N 402.860 -0.222 50 20 HBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CN(C)C(=O)COC)c1 758043695 PKFMBGBURHOMIZ-UHFFFAOYSA-N 414.484 -0.417 50 20 HBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)N[C@H](C)CO)cc1 772002980 HSMQJYWGYZUXIY-MNOVXSKESA-N 401.441 -0.552 50 20 HBGD CC(C)n1nc(C(=O)NNC(=O)NCCN2CCNC(=O)C2)c2ccccc2c1=O 781406518 OEOOTMCZXNJXAU-UHFFFAOYSA-N 415.454 -0.647 50 20 HBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(F)c(S(=O)(=O)NC2CC2)c1 914470502 IUHRVTFSGIHQSA-JTQLQIEISA-N 419.456 -0.538 50 20 HBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1C[C@H](O)CN1)C2)[C@H](F)Br 1780773856 OIOSKGPWXURVNX-CQUYNDQOSA-N 422.295 -0.086 50 20 HBGD CC[C@H](C)[C@@H](N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1786824849 OUZPFXIXPXYBFH-SIBFUHKCSA-N 411.547 -0.288 50 20 HBGD Cc1ncc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)[nH]1 1786980042 CBVJZLRBDCFHIM-ZVZYQTTQSA-N 412.255 -0.695 50 20 HBGD CO/C=C(\C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1788500219 GHXKVIMDBFUZJD-KNGLFYTFSA-N 417.466 -0.171 50 20 HBGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@H](O)CN3)[C@H]2C1 1789766375 YRMZNNJMILWIAG-ORWNZLQRSA-N 404.305 -0.528 50 20 HBGD CCC(=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1790816226 CQGZHLPMVKXSIJ-PJODQICGSA-N 403.439 -0.743 50 20 HBGD CCC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CC(=O)NC1=O)C2 1793445358 DUMNZSKROAFQAV-OXIQGZBJSA-N 400.863 -0.465 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccns1 1794533925 KLDLKJBMJAXQHR-YWVIFJGQSA-N 401.253 -0.660 50 20 HBGD CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)NC(=O)NCc1ccccc1 1799094663 CPIMXQLXPWXQLC-IZZQQSIFSA-N 403.483 -0.058 50 20 HBGD O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1825664546 IWBYUROYCZXPHG-LBPRGKRZSA-N 413.220 -0.863 50 20 HBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)Cn1ccnn1)CC2 1826085194 JIXYFPTWTWDDCK-NSHDSACASA-N 420.499 -0.280 50 20 HBGD O=C(NC1CCN(C2CCN(C(=O)[C@@H]3C[C@@H]3F)CC2)CC1)c1cccc(B(O)O)c1 1834799838 HBFBIACWFGNUAA-MOPGFXCFSA-N 417.290 -0.090 50 20 HBGD N=C(N)SCC(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834822494 QJNPCNNNDCAJFH-CQSZACIVSA-N 423.333 -0.146 50 20 HBGD O=C([C@H](O)CCl)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)c1ccccc1)CCO2 1835285074 KXHVGVXUPULUMK-JTDSTZFVSA-N 412.870 -0.224 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1839145328 DRXFOHBAUICLGS-SJKOYZFVSA-N 414.894 -0.207 50 20 HBGD CC(C)NS(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 729275518 PCBSIAWATRHIRA-JTQLQIEISA-N 406.486 -0.928 50 20 HBGD O=C(NNC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1)c1ccc(-n2cnnn2)cc1 729629125 OOZJEPDCVPAQQC-CQSZACIVSA-N 414.407 -0.847 50 20 HBGD COc1cc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)cc2c1OCCO2 730571331 QEYMAMJBUQRIHX-UHFFFAOYSA-N 421.435 -0.499 50 20 HBGD NS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)COc2ccccc2O)cc1 730815039 XSECYZPTIOMAES-UHFFFAOYSA-N 401.422 -0.572 50 20 HBGD CCC(=O)NNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 731849097 UFRNQKKXJLUNOR-LBPRGKRZSA-N 413.456 -0.153 50 20 HBGD C#CCN1CCC(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)CC1 735118901 ZLEATSLQCDGMCI-UHFFFAOYSA-N 420.539 -0.194 50 20 HBGD Cc1nn(C)c(C)c1C(=O)NC1(C(=O)NNC(=O)C(=O)N2CCCC2)CCCC1 749361915 DBBBZIKSERMDFB-UHFFFAOYSA-N 404.471 -0.151 50 20 HBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)Nc1ccc(C(=O)N2CCOCC2)cc1 755933100 FDJXPIGAHLPTDF-ZDUSSCGKSA-N 410.452 -0.254 50 20 HBGD COc1ccc(C(=O)N(C)C)cc1NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 756120623 HVSRLCFAUNJNMJ-VIFPVBQESA-N 401.445 -0.513 50 20 HBGD COc1ccc(NC(=O)C(=O)NNC(=O)CN(C)C)cc1-n1nnnc1C1CC1 764203770 DEPDXQBGWAZYCQ-UHFFFAOYSA-N 402.415 -0.804 50 20 HBGD CCOC(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N[C@H](C)COC)cc1 765405627 QURGRADGOQERFO-SNVBAGLBSA-N 402.429 -0.284 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Cc2cn(C)c3ccccc23)n(C)c1=O 766639397 PJAAFCCCRSHENX-UHFFFAOYSA-N 423.433 -0.685 50 20 HBGD CN1CCN(CCNC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)CC1(C)C 799685354 SVCQCUCIHQGOIG-UHFFFAOYSA-N 415.498 -0.097 50 20 HBGD O=C1C[C@@H](Cc2ccc(NC(=O)NNC(=O)[C@@H]3CCc4nncn4C3)cc2)C(=O)N1 814653019 PNELBIUFYWMMFT-CHWSQXEVSA-N 411.422 -0.101 50 20 HBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cn(C)c(=O)nc2O)c1 916096494 SSMRMBZTSSKYIS-UHFFFAOYSA-N 423.451 -0.409 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CC1(CC(=O)N2CCOCC2)CCCC1 1254746790 ZQKGARIDEOWLFI-ZDUSSCGKSA-N 418.516 -0.729 50 20 HBGD O=C1Cc2cc(S(=O)(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)c(Cl)cc2N1 1318218827 QUAGUTGGBNJWNA-SSDOTTSWSA-N 407.857 -0.421 50 20 HBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)N1CCOCC1)C2)[C@H](F)Cl 1778031296 UQBYVCFENSVWMQ-RPCCPQHDSA-N 407.870 -0.315 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1783935302 SQNDGHZCEHGUNR-ZFWWWQNUSA-N 423.283 -0.120 50 20 HBGD O=C(O)c1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)ncn1 1785640087 VWSXBRWAZKWAAS-NUZBWSBOSA-N 412.830 -0.632 50 20 HBGD CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](Cl)COC)C[C@@H]21 1788475409 KGFGKDBPPHONPJ-MJDBTJCESA-N 421.878 -0.716 50 20 HBGD CCN(C)[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1790552644 YAMUGLIGWAQDJW-CBVHJVASSA-N 417.315 -0.700 50 20 HBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CS(C)(=O)=O 1793371261 FPEOFPDPTPXDIH-QNSTZXKLSA-N 410.920 -0.490 50 20 HBGD Cc1nc(C)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)o1 1795734654 VLTYABJJGXPWFG-SCAQPMJSSA-N 413.239 -0.512 50 20 HBGD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)ccc1O 1795735736 BLLRLWHWYBADKZ-XEMDLRDOSA-N 424.262 -0.103 50 20 HBGD C[C@](O)(C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)C(F)(F)F 1796187991 RLGAMPZWOFCBSL-LOUJCGABSA-N 414.189 -0.069 50 20 HBGD CN1CCN(CC(=O)N2CC[C@H](CNC(=O)[C@H](O)CCl)[C@H]2c2cccnc2)CC1 1803142902 MLLACDZDEQDVPB-ZHALLVOQSA-N 423.945 -0.066 50 20 HBGD O=C(c1cc(=O)n2[nH]nnc2n1)N1CCCC2(CCN(C(=O)[C@H](O)CCl)CC2)C1 1810488854 CGWANDNZISDSHD-GFCCVEGCSA-N 423.861 -0.743 50 20 HBGD C[C@H](CN)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354468 CWOIRADWNFDZKP-ZWNOBZJWSA-N 402.285 -0.357 50 20 HBGD CC(=O)N[C@H](C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2)C(C)(C)C 1841496921 IZRGQFLSDLGHHR-QGZVFWFLSA-N 415.299 -0.266 50 20 HBGD CC(C)c1nc(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2ccc(B(O)O)cc2)no1 1848160384 HPCAIRVUOAUPMM-HOTGVXAUSA-N 412.255 -0.069 50 20 HBGD Cc1nc(S(=O)(=O)NCC(=O)NNc2ccccc2S(C)(=O)=O)cn1C 732303554 BDRSYMVZMWSXNG-UHFFFAOYSA-N 401.470 -0.446 50 20 HBGD CC(CS(C)(=O)=O)=NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 732527206 NMFPRQJJLPVYNL-UHFFFAOYSA-N 403.482 -0.142 50 20 HBGD C[C@H](C(=O)NNC(=O)c1ccc2c(c1)OCCO2)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 742242800 LOXPDSHHSUFXIG-YUHPLZMDSA-N 415.402 -0.230 50 20 HBGD O=C(COc1ccccc1O)NNC(=O)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 755257412 MYXHHPAQHUNYCS-SYWGBEHUSA-N 414.418 -0.092 50 20 HBGD C[C@H]1CC(=NNC(=O)[C@@H](CC(=O)NN=C2C[C@@H](C)N(C)C2)N2CCOCC2)CN1C 761811257 DPJILYOREIKBBY-RVKKMQEKSA-N 421.546 -0.530 50 20 HBGD Cc1ccccc1CC(=O)NNC(=O)CN1CCC([C@@]2(C)NC(=O)NC2=O)CC1 766906474 LDEFLGMUQBXYLQ-HXUWFJFHSA-N 401.467 -0.005 50 20 HBGD C[C@H]1CN(CCC(=O)NNC(=O)c2ccc(S(=O)(=O)N(C)C)nc2)C[C@@H](C)O1 771712867 HZLUNNWMAPXTOP-BETUJISGSA-N 413.500 -0.408 50 20 HBGD CN(C)C(=O)Cn1cc(C(=O)NNC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1 773410383 BILQUWQZUDWLDK-LBPRGKRZSA-N 423.474 -0.226 50 20 HBGD COC(=O)COc1ccc(C=NNC(=O)[C@H](C)NS(C)(=O)=O)cc1[N+](=O)[O-] 788713836 JCYXCDANZCOKFD-VIFPVBQESA-N 402.385 -0.466 50 20 HBGD O=C(COC(=O)CCNC(=O)c1ccco1)NNC(=O)[C@H]1COc2ccccc2O1 849197456 VZAPLLMYNMXLCX-OAHLLOKOSA-N 417.374 -0.070 50 20 HBGD C=CCNS(=O)(=O)c1cc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)ccc1F 914470670 VPIZHJHJGQPKQK-NSHDSACASA-N 419.456 -0.514 50 20 HBGD C[C@]1(NNC(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)CCS(=O)(=O)C1 916294636 FGAMIYQRXSICIV-AWEZNQCLSA-N 424.932 -0.001 50 20 HBGD Cc1csc(CC(=O)NNC(=O)CN2CCC[C@H](CNS(C)(=O)=O)C2)n1 917104172 HIEUYLQCAXXNKB-GFCCVEGCSA-N 403.530 -0.597 50 20 HBGD COCCOCCOCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1783664050 XEQOYDQNUWIGHZ-QAPCUYQASA-N 422.906 -0.514 50 20 HBGD CCC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]2C1 1786800394 TUQBEWKQWSHSHQ-YTFOTSKYSA-N 402.923 -0.034 50 20 HBGD CO/C=C(\C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1788499009 IZTRNQLHTWKEHA-LTAJHLDZSA-N 402.256 -0.490 50 20 HBGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(C)(=O)=O 1795358456 ODIMROQWRDCEAZ-KQXIARHKSA-N 411.318 -0.348 50 20 HBGD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)cn1C 1795734504 QXCTZGITTHSNKK-IZZQQSIFSA-N 411.267 -0.470 50 20 HBGD COCc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1 1830730865 FJOUEVBLDYOBLD-YJBOKZPZSA-N 415.874 -0.169 50 20 HBGD CC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1834899501 SGUZHBJCKYDXMJ-FQEVSTJZSA-N 404.272 -0.518 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(O)nc3O)C2)C1 1839144459 AIPRRFFLSCRYAY-YVEFUNNKSA-N 414.846 -0.025 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1cnn3c1CCC3)C2 1844264964 CYLULIUUKHAUIN-UHFFFAOYSA-N 409.450 -0.041 50 20 HBGD COc1ccc(C(=O)NNC(=O)CN2CCN(CC(=O)N(C)C)CC2)cc1OC 29064433 BTVPERUZRMNUPX-UHFFFAOYSA-N 407.471 -0.829 50 20 HBGD C[C@@H]1CN(Cc2ccc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc2)C[C@@H](C)O1 729275354 NWPVUNJFGSBLER-MGPQQGTHSA-N 412.512 -0.006 50 20 HBGD CC(C)n1nc(C(=O)NNC(=O)CN2CCC(=O)NC2=O)c2ccccc2c1=O 731862030 XNDCMEHRTJXHKU-UHFFFAOYSA-N 400.395 -0.320 50 20 HBGD CCOCCO[C@H](C)C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 735118210 NEMUOKPVMCCQSQ-CQSZACIVSA-N 415.516 -0.098 50 20 HBGD COCCN1CC[C@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 739034842 JZDYWFLWHKJTCG-AWEZNQCLSA-N 413.500 -0.398 50 20 HBGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)[C@H](CO)NC(=O)c2ccccc2)cc1 744827615 GYOBNRYUOBMHGI-INIZCTEOSA-N 410.386 -0.347 50 20 HBGD NC(=O)c1cc(S(=O)(=O)NCC(=O)NNC(=O)CCCc2cccs2)c[nH]1 746252235 APVFADNZQVJQBF-UHFFFAOYSA-N 413.481 -0.376 50 20 HBGD Cc1cc(C(=O)O)c(F)c(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1 753774799 NUCLSHNRCYTFJL-QMMMGPOBSA-N 409.417 -0.488 50 20 HBGD COCCNC(=O)Cn1cc(NC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cn1 756837007 DMBHWZPGWAGCMI-HNNXBMFYSA-N 418.410 -0.362 50 20 HBGD O=C(CNC(=O)c1cccs1)NNC(=O)N1CCN(c2ncc(F)cn2)CC1 759258292 NGJDWXQXVDTAGF-UHFFFAOYSA-N 407.431 -0.030 50 20 HBGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)nc1 760202980 HDSKBRQRNZUSPO-JQWIXIFHSA-N 400.461 -0.573 50 20 HBGD COc1ncc(NC(=O)C(=O)NNC(=O)COc2cccc(C)c2)cc1C(N)=O 763622355 CMUZRASTQNCBHB-UHFFFAOYSA-N 401.379 -0.338 50 20 HBGD CCn1cc(NC(=O)C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])ccc1=O 763804616 UTCQMHWKCUMKPZ-UHFFFAOYSA-N 403.351 -0.059 50 20 HBGD CS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(F)cc2)cn1 763838201 QAVAKCBFQORGOD-UHFFFAOYSA-N 410.383 -0.211 50 20 HBGD CCN(CC(=O)NNC(=O)c1cccc(C)c1)CC(=O)N[C@H]1CCS(=O)(=O)C1 764156288 BIZGLLARJUELBM-HNNXBMFYSA-N 410.496 -0.619 50 20 HBGD CNC(=O)Cn1nc(NC(=O)C(=O)NNC(=O)Cn2ccc3ccccc32)cc1C 764242145 BDGGTFCASAQEHG-UHFFFAOYSA-N 411.422 -0.322 50 20 HBGD CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NNC(=O)COCc1ccccc1 764363453 PIWAXCIMRHYWEZ-UHFFFAOYSA-N 403.395 -0.101 50 20 HBGD CN(C)c1nc(O)cc(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)n1 765186014 QFCLFBIKYRYGLS-UHFFFAOYSA-N 414.831 -0.376 50 20 HBGD CN(CC(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 765483058 SVNJTEWGBYSEQV-CYBMUJFWSA-N 416.887 -0.778 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc(-c3ccccc3)no2)n(C)c1=O 766638450 GMQBKZNYQJQHPF-UHFFFAOYSA-N 423.389 -0.450 50 20 HBGD CSCCNC(=S)NNC(=O)[C@H](C)NS(=O)(=O)c1c(C)nn(C)c1C 770248114 SEZWNEDDESFGJB-VIFPVBQESA-N 408.575 -0.438 50 20 HBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 771942438 YCFQKWUDNVYYEH-NSPYISDASA-N 402.407 -0.131 50 20 HBGD CN(NC(=O)C(C)(C)NS(C)(=O)=O)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 776202329 SBGUKGJCXQDRHZ-UHFFFAOYSA-N 421.520 -0.050 50 20 HBGD NC(=O)c1cccc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)n1 782015404 UHWMFNRXCQRFTL-UHFFFAOYSA-N 410.434 -0.601 50 20 HBGD CN(NC(=O)c1nccnc1C(N)=O)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 783704512 NPUBOAYFFKDQCC-UHFFFAOYSA-N 407.431 -0.175 50 20 HBGD CC(=O)N(c1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)cc1)[C@H]1C[C@@H]1C 815570958 PXTKHPSJXKYRGJ-UVBJJODRSA-N 404.423 -0.051 50 20 HBGD O=C1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)c3ccncc3)c2)CCN1 906309047 NNJPFGIBUUEIDH-UHFFFAOYSA-N 403.420 -0.723 50 20 HBGD O=C(COC(=O)CCN1CCCS1(=O)=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 919439168 LNLSKWSRFNTTCR-UHFFFAOYSA-N 414.396 -0.675 50 20 HBGD CN(C)S(=O)(=O)c1ccc(CC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 1321069742 GPLBNXYEFZNSRU-LBPRGKRZSA-N 403.482 -0.939 50 20 HBGD O=C(CN1CCOCC1)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781327881 CLHMJPKBRJHQGO-UKRRQHHQSA-N 408.268 -0.161 50 20 HBGD O=C(CCBr)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NNC(=O)C3)C[C@@H]21 1786406541 XDRXFUOQHQNTPS-NHCYSSNCSA-N 401.261 -0.373 50 20 HBGD C[C@@](Cl)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)CCC(N)=O)C[C@@H]21 1789866104 JVYZXGBWMDKJMQ-VIMZNKNYSA-N 423.341 -0.205 50 20 HBGD COC[C@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)CCl 1792784011 JATQRYAJMBFOSB-XGUBFFRZSA-N 403.907 -0.008 50 20 HBGD CCC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)C(=O)C(=O)O)C2 1793453720 SSORBFIPCXVTED-OPDFLTKYSA-N 403.863 -0.474 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCSCC1)C2)c1cccc(B(O)O)c1 1795741352 VYGQXKGIXSNMDO-ALXJQNPVSA-N 418.324 -0.287 50 20 HBGD CCc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)n[nH]1 1795954420 BVEGXHAAWJGQDK-ZSBFGKGUSA-N 412.255 -0.831 50 20 HBGD COC(OC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796439424 CEGSCWOFYQRQPL-CQFQAWKHSA-N 421.454 -0.671 50 20 HBGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)C=CC1=O)C2 1800762631 FPYASDZXQALPST-ZVXAKGHKSA-N 414.256 -0.716 50 20 HBGD CNC(=S)NCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCC(=O)NN(C)C 1802337013 DTKXWIMKFMLNLV-BTTYYORXSA-N 412.560 -0.518 50 20 HBGD O=C(NC[C@@H]1CCN(C(=O)Cn2ccncc2=O)[C@@H]1c1cccnc1)[C@@H](O)CCl 1803147436 HSSBTXTXYRIGEZ-RLFYNMQTSA-N 419.869 -0.056 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)[C@@H]2C=CCN2)[C@@H]1c1cccnc1 1808224231 VNBMTZQRGYQBLH-ZWOKBUDYSA-N 414.510 -0.012 50 20 HBGD CN1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)C1 1817475767 UBCCZNSKJFYYBR-QGZVFWFLSA-N 411.271 -0.043 50 20 HBGD Cc1noc(C)c1CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1832551415 NACAAWNBTXVKOL-YJBOKZPZSA-N 415.874 -0.110 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3noc(C)n3)CCO2)C1 1832931025 VAZQZAPQOMAGGB-GUYCJALGSA-N 416.862 -0.369 50 20 HBGD CC(C)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](N)CCC(N)=O)CCO2)C1 1835557727 OXSRCGKWZFHLGZ-UGSOOPFHSA-N 418.922 -0.699 50 20 HBGD O=C(CSc1nc[nH]n1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1840380335 VDEOWIXSNPLWOX-FZMZJTMJSA-N 407.855 -0.112 50 20 HBGD C[C@@H](Nc1cnccn1)C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011612 VXWBGBKSPPYLKV-CQSZACIVSA-N 409.255 -0.526 50 20 HBGD C[C@@H](CBr)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@@H]1NC(=O)NC1=O 1847494286 NTJSTQGPLQAAQK-NAKRPEOUSA-N 401.261 -0.183 50 20 HBGD Cc1nnc(CCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2ccc(B(O)O)cc2)s1 1848211657 SLTPPKSVHDUFCL-HOTGVXAUSA-N 414.296 -0.025 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1 729275955 TXTDYDFSFFGUSE-JTQLQIEISA-N 418.497 -0.926 50 20 HBGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)c(C)o1 751364454 OIEVGHJUBXXDOE-QWRGUYRKSA-N 402.473 -0.244 50 20 HBGD CN1CCN(S(=O)(=O)c2cccc(NC(=O)NNC(=O)Cc3cc[nH]n3)c2)CC1 756211711 FWMCVGVCBUHZTH-UHFFFAOYSA-N 421.483 -0.259 50 20 HBGD CC(C)[C@H](C(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1)N1CCCS1(=O)=O 757715766 QQLAFJNGTUOGDY-IIAWOOMASA-N 404.533 -0.307 50 20 HBGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)[C@@H]2CCc3nncn3C2)cc1OC 793447549 MJVWBWIXPGWDBV-SNVBAGLBSA-N 409.424 -0.355 50 20 HBGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1cccc(-n2cnnc2)c1 814784517 FFMSFNPJRHRSGY-UHFFFAOYSA-N 414.451 -0.308 50 20 HBGD O=C(COC(=O)CCNC(=O)c1ccco1)NNC(=O)[C@@H]1COc2ccccc2O1 849197455 VZAPLLMYNMXLCX-HNNXBMFYSA-N 417.374 -0.070 50 20 HBGD CC(C)NC(=O)C(=O)NNC(=O)CS(=O)(=O)c1cccc(Br)c1 915598802 JOOGSWYVRIXXSH-UHFFFAOYSA-N 406.258 -0.105 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NOC[C@@H]3CCOC3)nc2)CC1 1320665237 UQMGVTQCPKWSPI-CYBMUJFWSA-N 414.488 -0.388 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(CN(C(=O)CCc3ncc[nH]3)CCO2)C1 1783938293 WNBUKAFWUFONSA-LJQANCHMSA-N 406.487 -0.455 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)C1=COCC1 1791781762 BXKNIOUQFAFGQL-WBAXXEDZSA-N 400.240 -0.736 50 20 HBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccon1)C2 1797749703 KTKPHQFZESLIHW-QHBPRCKVSA-N 400.395 -0.810 50 20 HBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cccnc1)C2 1797750520 IUXHPYRFCMJIKA-CCWDJLKJSA-N 424.461 -0.474 50 20 HBGD O=C(CN(CCO)CCO)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Br 1800161364 GIFBBTZVDFBEFM-GFQSEFKGSA-N 410.284 -0.398 50 20 HBGD Cc1nc(C)c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)o1 1830732965 ZCNFRRPFCNNVDD-GUYCJALGSA-N 401.847 -0.039 50 20 HBGD O=C1CC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)CCBr)C3)C2)N1 1835118999 BVRBBPKUPJSHFI-LRDDRELGSA-N 418.288 -0.494 50 20 HBGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(O)[nH]3)CCO2)C1 1838071728 VDKGEUBRFCNMRK-ZUZCIYMTSA-N 417.260 -0.031 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)COCCO)CCO2)C1 1839194483 MIXYMAKWCIVRAU-JKSUJKDBSA-N 413.298 -0.312 50 20 HBGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(C)=O)C2)C1 1839966811 QLLZFRLXAHTSSY-CZUORRHYSA-N 420.304 -0.248 50 20 HBGD Cc1nnc(CCC(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)s1 1842054588 ZBBSOYVRNIBWJK-UHFFFAOYSA-N 414.296 -0.024 50 20 HBGD CNc1nsnc1C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843012704 HAJYMIJRVAPLBL-UHFFFAOYSA-N 401.257 -0.610 50 20 HBGD CCOC(=O)C1(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)CC1 1845895882 KIMZPVPTCKKTNB-UHFFFAOYSA-N 400.240 -0.473 50 20 HBGD Cc1cc(N2CC[C@@H](NC(=O)NNC(=O)COc3ccccc3O)C2=O)n(C)n1 745904984 GFJPYSGRCKJPTK-GFCCVEGCSA-N 402.411 -0.051 50 20 HBGD COCCNS(=O)(=O)c1ccc(C)c(C(=O)NNC(=O)N2CCOCC2)c1 745996108 NAAAEFWPYCPWBK-UHFFFAOYSA-N 400.457 -0.394 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2ccc3c(c2)CCC3)n(C)c1=O 755425907 UFMWASRIFXYUFO-UHFFFAOYSA-N 411.422 -0.225 50 20 HBGD O=C(N=c1cc[nH]cc1I)NNC(=O)[C@H]1CCS(=O)(=O)C1 760033426 GZQDJENJXNDQHK-ZETCQYMHSA-N 424.220 -0.305 50 20 HBGD CCC(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 763441294 IUWVXIVLXXDMMG-VXGBXAGGSA-N 412.468 -0.020 50 20 HBGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 763864603 DHKIZOAHYPZBIH-LLVKDONJSA-N 420.401 -0.336 50 20 HBGD COCCCNC(=O)NNC(=O)CN1C(=O)N[C@](C)(c2ccccc2OC)C1=O 771253286 UAZIRPIFYCZDID-GOSISDBHSA-N 407.427 -0.171 50 20 HBGD CN(C)S(=O)(=O)CCCS(=O)(=O)NNC(=O)CSc1ccccc1O 790044698 XHKUOYASNFBXAL-UHFFFAOYSA-N 411.527 -0.284 50 20 HBGD CCc1cc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)n(C)n1 797368973 KOAWKUMZYWRPQW-UHFFFAOYSA-N 402.411 -0.005 50 20 HBGD Cc1cc(C)cc(OCC(=O)NNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c1 914878846 PVXXYJZEEKBRTP-HUUCEWRRSA-N 423.491 -0.135 50 20 HBGD C[C@H](C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 920744871 GDAGEVZIWMLJIN-KXNHARMFSA-N 400.457 -0.932 50 20 HBGD CC(C)[C@@H](C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)N1C(=O)c2ccccc2C1=O 920746031 QKGAABNHXYBQAG-FZMZJTMJSA-N 422.463 -0.175 50 20 HBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1cn(CC(=O)N(C)C)nn1 1318065889 KDKBDQKJAGFKMG-UHFFFAOYSA-N 422.471 -0.957 50 20 HBGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1779087960 OUFMMIQUQRCYAJ-YXJHDRRASA-N 403.907 -0.126 50 20 HBGD COC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)CO[Si](C)(C)C)C2)C1 1779298991 SMFDJNNVHPALAT-QAPCUYQASA-N 415.563 -0.181 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1783933940 OJVBYOAHWPNMDE-LJQANCHMSA-N 421.454 -0.691 50 20 HBGD CC(C)(C)[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786983265 KOEWXZUWURZAST-LEUOFYLZSA-N 418.299 -0.633 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc([N+](=O)[O-])o1 1792357212 LTYDWXLIRRDJHU-DPIQGUFMSA-N 423.426 -0.236 50 20 HBGD Cc1noc(C)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1794692427 LKJHMQWYICJZNY-JLVBRIDZSA-N 413.239 -0.512 50 20 HBGD CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801010747 UKTAMHZLBNNYCT-DLTLXFJOSA-N 400.545 -0.097 50 20 HBGD C[C@](O)(CC(=O)O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1802324087 HDSGOVXTBQRNID-UIVXKWKOSA-N 418.255 -0.766 50 20 HBGD Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc(O)n1 1830727753 CVLATZPMWQYYAO-RDTXWAMCSA-N 413.858 -0.235 50 20 HBGD C[C@@H](CN)C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1834662610 SRFAFTZOSHYMEG-HNNXBMFYSA-N 410.563 -0.474 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CSC(=N)N)CCO2)C1 1835516732 VQFUIFWPODAQIR-IAQYHMDHSA-N 408.908 -0.677 50 20 HBGD O=C(c1[nH]nc2ccncc12)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1836447126 GUWIFRKWRNFEPC-KBXCAEBGSA-N 423.857 -0.372 50 20 HBGD O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837559768 GYMQTRXEGLUNAQ-PZMVWAHESA-N 413.858 -0.245 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CC(N)=O)C2)C1 1840030226 FZHHEYRFCPEDAA-MKBNYLNASA-N 420.304 -0.262 50 20 HBGD O=C(NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)NC1CC1 8403336 XJPYGURXKSBVHU-LLVKDONJSA-N 412.443 -0.348 50 20 HBGD CC(C)NC(=O)CNC(=S)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 727270845 RAZCQQAVLZHKOA-UHFFFAOYSA-N 401.514 -0.430 50 20 HBGD O=C(COCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)NCc1cccnc1 727752850 KVMAEOFXCMHZTM-INIZCTEOSA-N 400.391 -0.298 50 20 HBGD CS(=O)(=O)CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 727942872 FFYRXOHKMQYZCF-UHFFFAOYSA-N 418.497 -0.540 50 20 HBGD Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 728384184 IYQLNOPCOAISHJ-SGTLLEGYSA-N 422.463 -0.656 50 20 HBGD Cn1c(=O)nc(O)c2nc(CCC(=O)NNC(=O)c3cnn(-c4ccccc4)c3)[nH]c21 733171293 MOPCJGXYFNTYDJ-UHFFFAOYSA-N 422.405 -0.058 50 20 HBGD CN(C)c1cccc(C(=O)NNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)c1 749351418 CCBMNGCDEJSCCZ-UHFFFAOYSA-N 412.516 -0.726 50 20 HBGD COc1ccccc1OCC(=O)NNC(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 753000347 OUWNHXIQOJXIIY-GFCCVEGCSA-N 400.457 -0.314 50 20 HBGD COc1ccc(O)c(C(C)=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 764818888 XKGNVFNGLGQGSY-UHFFFAOYSA-N 400.395 -0.312 50 20 HBGD Cc1ccc(CC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(Cl)c1 765731623 KRMRBXMCODYKQX-UHFFFAOYSA-N 418.841 -0.214 50 20 HBGD CN1CCC[C@@H]1C(=O)N1CCN(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 767037956 KMZIQOLWNREYMJ-MRXNPFEDSA-N 418.454 -0.406 50 20 HBGD O=C(O)Cn1cc(C=NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)nn1 768476609 RRMXGJBAPOAXNO-UHFFFAOYSA-N 422.423 -0.853 50 20 HBGD CSCCNC(=S)NNC(=O)[C@@H](C)NS(=O)(=O)c1c(C)nn(C)c1C 770248113 SEZWNEDDESFGJB-SECBINFHSA-N 408.575 -0.438 50 20 HBGD CCOCCC1(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CCC1 771047694 ZKHWSGQCPMEHEO-UHFFFAOYSA-N 406.443 -0.822 50 20 HBGD COCCO[C@H]1C[C@H](CO)CN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1 773958089 CCFMVKQFVRQFGS-BBRMVZONSA-N 410.427 -0.298 50 20 HBGD COC(=O)CNC(=O)NNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1 775289162 SYZHVOROLGNYMW-UHFFFAOYSA-N 420.469 -0.863 50 20 HBGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c(OC)c1 785482759 XZPZQEHGEOLSEU-SNVBAGLBSA-N 406.438 -0.774 50 20 HBGD Cc1nc2c(C(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cccc2o1 792237458 IWSAABPARIZXHH-UHFFFAOYSA-N 411.378 -0.655 50 20 HBGD Cn1cc(/C=C\C(=O)NNC(=O)CNC(=O)OCc2ccccc2)c(=O)n(C)c1=O 794069485 HMIBPDWNONHHKJ-HJWRWDBZSA-N 415.406 -0.829 50 20 HBGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 815473737 GRMWGPTZQVOHEI-GASCZTMLSA-N 410.386 -0.186 50 20 HBGD O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)NNC(=O)CN1CCCC1=O 916739530 LLEPXHDMFJMUPN-UHFFFAOYSA-N 408.480 -0.170 50 20 HBGD C[C@@H]1CN(C[C@@H](C)C(=O)NN=Cc2nc3c(c(O)nc(=O)n3C)n2C)C[C@@H](C)O1 920371574 UHPINVGZGZYYBI-IJLUTSLNSA-N 405.459 -0.432 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779137684 BOVXDDJDDGFBFY-BCVDLATCSA-N 419.482 -0.099 50 20 HBGD Cc1cc(CC(=O)N2CC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)n[nH]1 1779163491 PXALATOVVJVVJW-LJQANCHMSA-N 406.487 -0.536 50 20 HBGD O=C(c1cnc2c(c1)CCNCC2)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1782725761 JEMSXGFHTFTDMK-YLJYHZDGSA-N 422.913 -0.187 50 20 HBGD CCOC(=O)N[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](Cl)COC)C[C@@H]21 1788475398 KGFGKDBPPHONPJ-AIUMHDJVSA-N 421.878 -0.716 50 20 HBGD N#Cc1c[nH]c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)c1 1789344019 CHOSJLKHTKJVPF-IEZWGBDMSA-N 422.250 -0.527 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(F)(F)C(F)F 1793705284 ZSSOZWDMXBMLRJ-PTEHBNRSSA-N 418.152 -0.530 50 20 HBGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@H](N)C(N)=O 1795631661 MSPRBAIKSRJZRA-VXUPGSCNSA-N 419.320 -0.800 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncs1)C2)c1cccc(B(O)O)c1 1795737532 SAMSBJSVENIVGM-YWVIFJGQSA-N 401.253 -0.660 50 20 HBGD CC(=O)C[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797754359 SIDRXMWSADUYMU-MBMVNNNZSA-N 417.466 -0.497 50 20 HBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(OC)n(C)n1 1798760358 YORDWVRMXQWYLR-NWJSVONSSA-N 400.863 -0.114 50 20 HBGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@](C)(O)CC(=O)O 1801007888 HAVOEQQPFHTRLE-RGJJHSPJSA-N 421.288 -0.025 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CSc1nc[nH]n1)c1cccc(B(O)O)c1 1802859426 UHNOGKXBDFRWHV-QDMKHBRRSA-N 415.284 -0.471 50 20 HBGD COc1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cn1 1830725083 LBOCGWFVFTZLOZ-GUYCJALGSA-N 414.846 -0.845 50 20 HBGD CC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835929407 OHDRPPUBXJEPBG-FQEVSTJZSA-N 404.272 -0.518 50 20 HBGD C=CC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835932065 MFNMQIMJZJCYKI-HRAATJIYSA-N 416.283 -0.351 50 20 HBGD CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)CC1 1835935609 VOSOAQGFYNYZDY-FQEVSTJZSA-N 402.256 -0.764 50 20 HBGD O=C(Cn1nccn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839201989 PNNALMDFZMUYFM-TZMCWYRMSA-N 420.239 -0.575 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C(\C)NC(C)=O)CCO2)C1 1839648896 NLBRETBVNRTBOW-XSVVSZSESA-N 417.890 -0.264 50 20 HBGD O=C(Cn1ccncc1=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1839664187 MFNRKLOOAZCWIN-GDBMZVCRSA-N 402.810 -0.766 50 20 HBGD CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1839880953 HILMTELGMQJVGA-OZVIIMIRSA-N 420.304 -0.249 50 20 HBGD CC(C)NC(=O)C(=O)NNC(=O)CNS(=O)(=O)c1ccc(Br)cc1 726613724 JOCNRCCPEJXJCE-UHFFFAOYSA-N 421.273 -0.601 50 20 HBGD COc1ccccc1OCC(=O)NNC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 734686800 VJGLJVHSHXASFG-MRXNPFEDSA-N 421.498 -0.189 50 20 HBGD Cn1cc(C(=O)NNC(=O)[C@@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)cn1 735446170 AWDODXCEPLTZQA-FSNWXROXSA-N 410.434 -0.016 50 20 HBGD COc1ccccc1CC(=O)NNC(=O)[C@H](C)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 744363694 XQGDXCMZBVFSJO-MGNHCAFKSA-N 401.419 -0.064 50 20 HBGD COc1ccc(C(=O)NNC(=O)COC(=O)c2cnc3c(c2)nnn3C)cc1OC 754901766 LHRCOUTWLHXLIW-UHFFFAOYSA-N 414.378 -0.002 50 20 HBGD Cc1ccccc1-c1cc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)n(C)n1 764231716 PELFGBKIIGTCCL-LLVKDONJSA-N 422.467 -0.581 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2cnc(Cl)n2C)c1 765026911 DSELJDMOSDSWML-UHFFFAOYSA-N 421.888 -0.053 50 20 HBGD COC(=O)CCN1CCN(C(=O)NNC(=O)CNC(=O)c2cccs2)[C@@H](C)C1 774703097 HHRIMDHPHXUIGY-LBPRGKRZSA-N 411.484 -0.212 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)Cc2cn3ccccc3n2)cc1-n1cnnn1 785060701 JTFXBIXTCZLUOM-UHFFFAOYSA-N 419.405 -0.053 50 20 HBGD O=C(CN1C(=O)C(F)(F)Oc2ccccc21)NNC(=O)N[C@H]1CCS(=O)(=O)C1 794244756 OFEQXMFCAZEMEF-VIFPVBQESA-N 418.378 -0.478 50 20 HBGD CN1C(=O)C(=CNNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C(=O)N(C)C1=O 920977769 LUUIBSMDJIRFQR-UHFFFAOYSA-N 409.424 -0.894 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)C(=O)c3cnn(C)c3)cc2)CC1 1318242731 MKUNAIAQLXWIAY-UHFFFAOYSA-N 406.468 -0.318 50 20 HBGD CN(C)N(C(=O)c1ccc(CCNS(C)(=O)=O)s1)[C@@H]1CCS(=O)(=O)C1 1324129641 XAFPIDGFHFXFGN-LLVKDONJSA-N 409.555 -0.054 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CC[C@]2(CN(C(=O)CC[C@H](N)C(N)=O)CCO2)C1 1781227240 INYHVCPRECTVAX-UVBJJODRSA-N 409.314 -0.355 50 20 HBGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cnnn1)C2 1782170235 DCFAZQKUKJUZCK-WOSRLPQWSA-N 400.867 -0.559 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ncc[nH]1)C2 1782209069 JQSCMAFXTSMCAR-AUUYWEPGSA-N 406.487 -0.090 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)n[nH]1)C2 1782210679 BTBFBIPNIMYBAF-AUUYWEPGSA-N 422.486 -0.384 50 20 HBGD C[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCN(C)CC3)CCO2)C1 1783533728 GFTFZWLTFUFEMD-WMLDXEAASA-N 417.348 -0.153 50 20 HBGD Cc1cn(CC(=O)N2CCO[C@@]3(CCN(C(=O)C(Cl)Cl)C3)C2)c(=O)nc1O 1783951353 GBCJZJRQCUKPTK-INIZCTEOSA-N 419.265 -0.109 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCOC3)C2)C1 1785499402 LFPSQQBBRMJIPW-JLTOFOAXSA-N 417.466 -0.445 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)c3ccco3)C[C@@H]21 1791288114 ZLUUVNNYALQQRF-DZKIICNBSA-N 420.466 -0.185 50 20 HBGD Cc1noc(N)c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791289412 XXPGFAFLNCGGJL-IHRRRGAJSA-N 422.486 -0.468 50 20 HBGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21)n1cncn1 1791615677 MXHYXHDVSFMZLY-UGUYLWEFSA-N 421.502 -0.808 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)[C@H]1CCCS1(=O)=O 1796190334 PFMJAXFWNUGEDT-YYIAUSFCSA-N 420.296 -0.805 50 20 HBGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCOCC1)C2 1800756621 PQIPSVGPONXIQY-GUIRCDHDSA-N 404.305 -0.308 50 20 HBGD CN1CCN(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCC(=O)NN(C)C)CC1 1802335921 BFHMXIBOFNDPLB-BJWYYQGGSA-N 408.547 -0.755 50 20 HBGD COC(OC)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815350211 KQIFNJOOMXTGHP-GFCCVEGCSA-N 419.268 -0.332 50 20 HBGD CN(CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](O)CCl)CC2)C(=O)C(=O)O 1824667178 LWTYYXSTIVDERB-VXNVDRBHSA-N 418.859 -0.802 50 20 HBGD O=C(c1ccc2ncnn2c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731473 LUAJDBWSCSGPES-KBXCAEBGSA-N 423.857 -0.601 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1C[C@H]1F)CCO2 1839099850 WNVSKPOBKOKWFZ-PMUMKWKESA-N 400.451 -0.826 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CSCC(=O)O)CCO2)C1 1840194424 NHACQSNMSIEOIZ-WBMJQRKESA-N 424.903 -0.486 50 20 HBGD CC[C@H](NC(N)=O)C(=O)N1CCCC12CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1843336384 HZZLMLNROWFANI-ZXCVBSDHSA-N 417.470 -0.229 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)[C@H]1CCC(=O)NC1)C2 1843415045 DTVNHIILSQBKTP-WQEJZQBCSA-N 414.466 -0.150 50 20 HBGD CN(C)C(=O)CN1CCC(NC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CC1 731761994 TUMRDEGFMKTJPI-INIZCTEOSA-N 405.455 -0.291 50 20 HBGD Cc1cc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cnc1Cl 757630508 RTOKBCHEYKTDLF-UHFFFAOYSA-N 420.817 -0.357 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 758030959 UJQIXXDABJDCHU-RKDXNWHRSA-N 420.850 -0.083 50 20 HBGD Cc1cc(C)cc(OCC(=O)NNC(=O)NCCNS(=O)(=O)NC(C)C)c1 759550036 MJERLZVOKBVUNM-UHFFFAOYSA-N 401.489 -0.155 50 20 HBGD CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCC(=O)NNC(=O)C(=O)NC1CC1 760802636 YZIZGSRBXSDOQZ-LBPRGKRZSA-N 411.459 -0.682 50 20 HBGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(-n3nccn3)nc2)cc1 763660709 FWNBRYWOEMPAGR-UHFFFAOYSA-N 411.378 -0.164 50 20 HBGD N#Cc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(-n2nccn2)nc1 763814357 SLISBMSTXHBHFH-UHFFFAOYSA-N 406.362 -0.301 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccccc1N1CCCCC1 764227714 QSOGRXZGDZFSBW-GFCCVEGCSA-N 411.484 -0.300 50 20 HBGD CCCOC(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1 764230431 ICGGVZGREZWPFC-JTQLQIEISA-N 414.440 -0.723 50 20 HBGD CCN(c1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1)C(C)C 764231795 QDXBPDJTBUMKKL-GFCCVEGCSA-N 413.500 -0.055 50 20 HBGD O=C(NCC1(N2CCOCC2)CC1)NNC(=O)C1CCN(c2ncccn2)CC1 764777719 FTHNHJWSHHBMFT-UHFFFAOYSA-N 403.487 -0.112 50 20 HBGD CCN1CCN(c2cccc(NC(=O)C(=O)NNC(=O)[C@H]3COCCO3)c2)CC1 770782216 QHSLSHUHXMDPNN-MRXNPFEDSA-N 405.455 -0.670 50 20 HBGD COC(=O)CNC(=O)NNS(=O)(=O)c1ccc(C(=O)N2CCCC2)c(F)c1 779844425 JEDJDYKATWCKRT-UHFFFAOYSA-N 402.404 -0.273 50 20 HBGD Cc1cccc(=O)n1C[C@](C)(O)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 792021156 HLSYSOAKZWBRCS-SFHVURJKSA-N 421.479 -0.338 50 20 HBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCc2cnnn2C)c1 807613530 JPWBCRMZMSIMDC-UHFFFAOYSA-N 409.472 -0.010 50 20 HBGD COc1cccc(/C=C(\C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)n2nnnc2C)c1 816878271 NYWMEHIBMDGHGR-BRYYZUPOSA-N 423.437 -0.010 50 20 HBGD COC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779031414 RULOSPCEYMPPQD-LJQANCHMSA-N 419.438 -0.918 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc(O)n1)CCO2 1783936941 YMFDBGTYOVFGJU-LJQANCHMSA-N 405.455 -0.396 50 20 HBGD Cc1[nH]ccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1787685615 DKKKORATHNUTDM-SNRMKQJTSA-N 411.267 -0.090 50 20 HBGD Cc1ocnc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791291539 XOGURFRZVCBFJC-KKUMJFAQSA-N 407.471 -0.051 50 20 HBGD CN[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CO[Si](C)(C)C)C2)C(=O)O 1795642305 MSWQPZJOMPEYAU-ZWUHOBOKSA-N 401.536 -0.510 50 20 HBGD CCc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)no1 1795740280 NHINRWFUGQKYJZ-ZSBFGKGUSA-N 413.239 -0.566 50 20 HBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnncc1C(=O)O 1798103424 OVOMXHSCLGGZRG-DJBIQUGXSA-N 412.830 -0.368 50 20 HBGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1831656278 CKSZZPCSDKEMHM-DEYYWGMASA-N 401.891 -0.014 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncn3C)CCO2)C1 1834331245 FVTNLGSFJCBCAY-DYVFJYSZSA-N 400.863 -0.256 50 20 HBGD O=C1CC[C@@H](C(=O)NC2CCN(C3CCN(C(=O)[C@H](O)CCl)CC3)CC2)N1 1834525620 CQOPDKUIURGGTI-LSDHHAIUSA-N 400.907 -0.564 50 20 HBGD COCCOCC(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834822515 RXYKSENCPJDHOF-INIZCTEOSA-N 423.304 -0.109 50 20 HBGD Cc1noc(N)c1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1835621408 FNYGFXHRTOISPA-BZNIZROVSA-N 402.835 -0.765 50 20 HBGD N=C1NCCN1CC(=O)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836716851 UZENNERHJJKMGK-OAHLLOKOSA-N 415.922 -0.575 50 20 HBGD CC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](Cl)COC)CCO2 1840149409 OFMZPBXABASTPZ-RVKKMQEKSA-N 419.906 -0.389 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2nc3ccccn3n2)C1 1843229958 DGWRRSADLZJJKD-UHFFFAOYSA-N 405.223 -0.460 50 20 HBGD COC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)CN2CCN(C(C)=O)CC2)C1 1843974810 XYUPHUIFTZYFCS-HNNXBMFYSA-N 400.907 -0.392 50 20 HBGD CCn1c(NNC(=O)[C@H]2CCCN2C(=O)CNC(C)=O)nc2ccccc2c1=O 728515176 DYKZNVPZCLQIPK-OAHLLOKOSA-N 400.439 -0.013 50 20 HBGD Cc1cccnc1C(=O)NNC(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21 752235179 IGOVZJFZPSTEAV-UHFFFAOYSA-N 405.392 -0.593 50 20 HBGD Cc1cc(C)n2c(C=NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cnc2n1 755791835 VDLNGWMEVOWFHB-UHFFFAOYSA-N 409.410 -0.756 50 20 HBGD CCC(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 763441220 IUWVXIVLXXDMMG-RYUDHWBXSA-N 412.468 -0.020 50 20 HBGD COc1ncnc(N(C)C)c1NC(=O)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 763574505 ZYOKFXFOGXGRNK-GFCCVEGCSA-N 416.394 -0.523 50 20 HBGD CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 763575240 RVUHWGMHFCHLRQ-CYBMUJFWSA-N 417.378 -0.477 50 20 HBGD CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NNC(=O)COc1ccc(OC)cc1 763659844 SFWMCOUGHGUAFN-UHFFFAOYSA-N 419.394 -0.230 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cccc3cnccc23)n(C)c1=O 766643040 JKONXBFKFITBLB-UHFFFAOYSA-N 407.390 -0.557 50 20 HBGD CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)C1 789170603 HCUUQAXSKVGODJ-WDEREUQCSA-N 402.473 -0.239 50 20 HBGD CN(C[C@@H]1CCCN(C(=O)NNC(=O)CNC(=O)c2ccco2)C1)S(C)(=O)=O 805044265 LBHLLNSSSQRFJC-LBPRGKRZSA-N 415.472 -0.646 50 20 HBGD Cn1cc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)nn1 807933122 RWZGNYBADSIZHN-UHFFFAOYSA-N 422.467 -0.770 50 20 HBGD CN(C)C(=O)Cn1cnc(NC(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)n1 812946982 GKNHBRUGOSEBKS-UHFFFAOYSA-N 410.460 -0.235 50 20 HBGD Cn1nc(C(=O)NNC(=O)NCC2(S(C)(=O)=O)CCC2)c2ccccc2c1=O 1116865283 BWIAECYGIOQKOO-UHFFFAOYSA-N 407.452 -0.155 50 20 HBGD CS(=O)(=O)C[C@@H]1CCCN(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1 1347600964 VYXQINRCYGHLMG-GFCCVEGCSA-N 407.456 -0.227 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1779093924 ARCOOPZWITWDDT-NOLJZWGESA-N 420.304 -0.750 50 20 HBGD COC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)CO[Si](C)(C)C)C2)C1 1779298989 SMFDJNNVHPALAT-CRAIPNDOSA-N 415.563 -0.181 50 20 HBGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NNC(=O)C1)C2 1782175158 FNNACEZFWIUNQH-XTQGRXLLSA-N 400.863 -0.370 50 20 HBGD CS(=O)(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1784747577 ZOMUGRWHGKCWHV-DGCLKSJQSA-N 415.281 -0.059 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]1C1CC1 1792851302 GIPXDQXVRRSVQD-IJHJFAERSA-N 413.478 -0.066 50 20 HBGD CN[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCBr)C(=O)O 1795112482 GSVSDJAEILMGIQ-FBKDDSFISA-N 406.277 -0.576 50 20 HBGD Cc1noc(N)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801013324 OKKBAOFJSGTLPN-DRXBFXEBSA-N 408.459 -0.859 50 20 HBGD CNC(=O)CC(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1803480692 CIMBPOUAPLBNKJ-YWZLYKJASA-N 418.498 -0.404 50 20 HBGD N=C(N)NCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827054550 GMFZDCYBIZNSBC-QGZVFWFLSA-N 415.303 -0.917 50 20 HBGD NC[C@H](N)C(=O)N1CCC(N2CCC(NC(=O)CCBr)CC2)CC1 1834421767 JYUNNDLBJRMPDT-AWEZNQCLSA-N 404.353 -0.371 50 20 HBGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@H](NC)C(=O)O)CCO2)C1 1835762314 JEMCCSOXRYFAIL-GDZNZVCISA-N 405.879 -0.477 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1840184135 UWSUHVHFHPWHPX-HOCLYGCPSA-N 408.858 -0.650 50 20 HBGD C[C@H](C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2)n1ccccc1=O 1844366030 WVHVIBYBMYNJEP-CQSZACIVSA-N 424.461 -0.075 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)[C@H]1CC[C@@H]3CCC(=O)N3C1)C2 1846385592 XAPZVMREQOBCIV-JKSUJKDBSA-N 419.526 -0.036 50 20 HBGD CCCNC(=O)CN1CCC(NC(=O)NNC(=O)CNC(=O)c2cccs2)CC1 725873794 QLGSMYBDINUIKG-UHFFFAOYSA-N 424.527 -0.201 50 20 HBGD CC(C)NC(=O)C(=O)NNC(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F 726613104 BNDAVIAWTGFOEF-UHFFFAOYSA-N 410.374 -0.344 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CCN3C(=O)CCC3=O)cc2)CC1 728213979 TYVNLTGOYOAMSQ-UHFFFAOYSA-N 423.495 -0.395 50 20 HBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCN(C(=O)COc2ccccc2)C1 741175458 LGOHFAVZKRAGMM-LSDHHAIUSA-N 423.491 -0.114 50 20 HBGD NS(=O)(=O)c1ccc(OCCSCC(=O)NNC(=O)[C@@H]2COCCO2)cc1 744642407 JQHRDAKOJVSPBF-ZDUSSCGKSA-N 419.481 -0.991 50 20 HBGD Cc1nnccc1C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 752998979 PVQMWIUKHOFLRD-UHFFFAOYSA-N 405.436 -0.119 50 20 HBGD COCCCN(CC(=O)NNC(=O)c1cccc(C#N)c1)[C@H]1CCS(=O)(=O)C1 756586992 WTHUMHXUARLCTO-INIZCTEOSA-N 408.480 -0.155 50 20 HBGD CCOc1ccc(C(=O)N(C)C)cc1NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 756883590 TWGNXJAGPNPHHN-JTQLQIEISA-N 415.472 -0.123 50 20 HBGD CC1(Cn2cc(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)nn2)COC1 759379956 NOQPITPHNMMZEV-UHFFFAOYSA-N 407.456 -0.318 50 20 HBGD Cc1cc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc(C)c1F 763590770 QURNDVRNVWYWDX-UHFFFAOYSA-N 402.386 -0.349 50 20 HBGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)o1 763826425 ZGZHYQUIQXRUBB-UHFFFAOYSA-N 421.435 -0.350 50 20 HBGD COc1nccnc1NNC(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C 764481462 GRGDJQRZLYDHIZ-UHFFFAOYSA-N 400.399 -0.067 50 20 HBGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1 773497700 YXDNQVVLACKMCW-INIZCTEOSA-N 416.434 -0.123 50 20 HBGD C[C@@H](C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)n1cnc(C#N)n1 798829844 LETBLLCYKHKKCV-LBPRGKRZSA-N 417.451 -0.044 50 20 HBGD COc1cc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc2cccnc12 815569344 PMTFLQWKZRFHOZ-VIFPVBQESA-N 409.424 -0.733 50 20 HBGD O=C(NNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)c1ccc2c(c1)OCO2 912952986 JSFBHVVLZIWYBU-NWDGAFQWSA-N 409.420 -0.788 50 20 HBGD CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NNC(=O)CC(F)(F)F)c1 918365178 ZHFITOYZIGMKEV-UHFFFAOYSA-N 412.390 -0.021 50 20 HBGD CS(=O)(=O)[C@@H]1CCCN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)C1 1116598939 WZOFRLCVJDWHDM-LLVKDONJSA-N 417.513 -0.157 50 20 HBGD CC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3cc(=O)n4[nH]cnc4n3)CCO2)C1 1781213582 RBMDDUAEBCHJDY-APPDUMDISA-N 408.846 -0.122 50 20 HBGD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1)N1CCN(C)CC1 1784091963 ADCAWJLRAAQVNX-WOYTXXSLSA-N 416.950 -0.798 50 20 HBGD CCC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784097408 XYOHSCFCDMSRTJ-RBZJEDDUSA-N 403.907 -0.129 50 20 HBGD Cc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)n1 1785966429 BQNODGUYETWRDF-QRFRQXIXSA-N 423.278 -0.023 50 20 HBGD CN1CCN(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)CC1 1786725414 PGBMEOCZYUDHLC-QAETUUGQSA-N 416.950 -0.797 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CC(F)(F)F)C[C@@H]21)c1cccc(B(O)O)c1 1786984705 YYBWTSAXRFMGMF-QEJZJMRPSA-N 414.189 -0.088 50 20 HBGD COC[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1793438796 KEIDQEKMLDPBIW-JFILPPLUSA-N 405.455 -0.829 50 20 HBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccnc1C(N)=O 1794270751 OYUBNONHRTYQMF-XCCSTKFXSA-N 410.858 -0.363 50 20 HBGD Cc1ccnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)c1 1797750997 YIMUYPCNCDLYNC-ZSBFGKGUSA-N 424.461 -0.094 50 20 HBGD C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801012545 OSTJYYORIIGWRH-CCWDJLKJSA-N 424.498 -0.542 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[C@H]1C[C@]1(F)Cl 1801091069 PVOKQZOYZIZRBK-WNLTYMPLSA-N 410.638 -0.506 50 20 HBGD Cc1ncc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)s1 1801335320 KHNVCNFPPLCWIP-HBCWATKFSA-N 423.539 -0.043 50 20 HBGD CC[C@H](O)C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807359464 IXFPMXICTZMKJF-NZSAHSFTSA-N 411.267 -0.148 50 20 HBGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1C=CCN1)CC2)c1cccc(B(O)O)c1 1815354744 RFKDESCFUOWZCS-HIFRSBDPSA-N 412.280 -0.423 50 20 HBGD O=C(COCCO)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1822984528 FUAKTNBNZAVULB-ZDUSSCGKSA-N 419.268 -0.942 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CS(=O)(=O)CC)CCO2)C1 1831340158 BNHBZHHQFYVYKM-CJNGLKHVSA-N 410.920 -0.105 50 20 HBGD O=C1CC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)N1 1835124635 KSFJQHWEVLPKTD-JVLSTEMRSA-N 422.251 -0.588 50 20 HBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CSC(=N)N)CCO2)C1 1835516698 SYRKLWYRZHMBLP-IINYFYTJSA-N 423.333 -0.147 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCSC(=N)N)C2)C1 1840151732 MVLCQEDETXGTHG-LRDDRELGSA-N 422.935 -0.287 50 20 HBGD O=C(CCn1ccnn1)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840190652 GQFIIJMLIJNPHB-HNNXBMFYSA-N 406.270 -0.072 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)C2CCC(CO)CC2)C1 1841905045 HDOYIRHVTQRCHQ-UHFFFAOYSA-N 400.284 -0.018 50 20 HBGD COC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@H](COC(C)=O)OC(C)=O)C1 1844288141 JMFBFXHMHSWKKQ-KBPBESRZSA-N 404.847 -0.062 50 20 HBGD C[C@H](Cn1cncn1)C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1844348077 UEZXSOMDNRWARF-CYBMUJFWSA-N 412.454 -0.570 50 20 HBGD CSCC[C@@H](C(=O)NNC(=O)C(=O)NC1CC1)N1C(=O)c2ccccc2C1=O 9889719 PGXWKROTKAOLRK-ZDUSSCGKSA-N 404.448 -0.170 50 20 HBGD COc1ccc(C(=O)NNC(=O)COC(=O)CN(C)c2ncccn2)cc1OC 47753541 XCEDLOUFQKXMBK-UHFFFAOYSA-N 403.395 -0.066 50 20 HBGD Cc1cccc(OCC(=O)NNC(=O)NCCS(=O)(=O)N2CCOCC2)c1 52140959 SVDJFXFTDLFQGM-UHFFFAOYSA-N 400.457 -0.634 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)NCCS(=O)(=O)Cc1ccccc1 725870740 QCZUJDFTPNXRAN-UHFFFAOYSA-N 408.436 -0.045 50 20 HBGD O=C(CCc1ccccc1O)NNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 730033816 VAWKABVDAJOGKV-UONOGXRCSA-N 409.464 -0.492 50 20 HBGD Cn1c(=O)ccn(CC(=O)NNC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)c1=O 734824854 KCXGTNBCHOTIKH-UHFFFAOYSA-N 424.458 -0.723 50 20 HBGD CC(C)OCCS(=O)(=O)NCC(=O)NNC(=O)c1cnn(-c2ccccc2)c1 747908279 OFKHPOPRSZELAK-UHFFFAOYSA-N 409.468 -0.022 50 20 HBGD O=C(CNS(=O)(=O)c1ccc(Br)s1)NNC(=O)Cc1cc[nH]n1 755269217 POPOEDPYKLXVAU-UHFFFAOYSA-N 422.286 -0.098 50 20 HBGD NS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 763570563 FXGBFHDSUFKNPZ-CQSZACIVSA-N 420.403 -0.740 50 20 HBGD COCC(=O)NNC(=O)C(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1 764299817 JSHPTSWJQJSFPK-UHFFFAOYSA-N 403.439 -0.294 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc3ccccc3nc2O)n(C)c1=O 765727034 ITXAQCWJXCJVLL-UHFFFAOYSA-N 423.389 -0.851 50 20 HBGD C#CCN1CCC(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CC1 772114108 KPRZRDWNYSDWHR-KRWDZBQOSA-N 401.419 -0.138 50 20 HBGD CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)CC1=O 792855710 SCIWOWAIRCXNIG-XHSDSOJGSA-N 400.545 -0.189 50 20 HBGD CC(C)[C@@H](C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)N1C(=O)c2ccccc2C1=O 920746032 QKGAABNHXYBQAG-RISCZKNCSA-N 422.463 -0.175 50 20 HBGD CCn1nc(C(=O)NNC(=O)NC[C@H]2CCCS2(=O)=O)c2ccccc2c1=O 1117809345 OOZOJKFGMNKSDC-LLVKDONJSA-N 407.452 -0.062 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)C(Cl)Cl)C2)C1 1783946657 DFROTGNVHAYMPK-MRXNPFEDSA-N 401.055 -0.386 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cncnc3)[C@H]2C1 1786115452 YDUIAIPMKLVGBV-BPUTZDHNSA-N 404.471 -0.557 50 20 HBGD CC(=O)N1CCN(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](F)Cl)[C@H]3C2)CC1 1787446932 ZSAUXCZEJCGYPQ-JKQORVJESA-N 418.897 -0.335 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21)[C@@H]1C[C@H](O)CN1 1789762999 QVRIHPYUBKNFOJ-RHIYVLOFSA-N 408.268 -0.621 50 20 HBGD CC(C)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H]1NC(=O)NC1=O 1793938998 JDQPIKKHBZHNPU-LSCVPOLPSA-N 400.863 -0.561 50 20 HBGD Cc1[nH]nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c1F 1794475187 KNYABEFMSBDXEH-YWVIFJGQSA-N 416.218 -0.946 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3c1CCC3)C2)c1cccc(B(O)O)c1 1795741194 MPPQCTGIGDKFCJ-CCWDJLKJSA-N 424.266 -0.974 50 20 HBGD CCc1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)co1 1798219829 OKRFQTUTIRSMFV-ZSBFGKGUSA-N 413.239 -0.566 50 20 HBGD CN1C(=O)CC[C@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798441764 IPQPBEWTIRYEKH-ZWUHOBOKSA-N 414.466 -0.442 50 20 HBGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCN1CCOCC1)C2 1802333291 MKQHHKFTMFQZEP-BJWYYQGGSA-N 409.531 -0.280 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822203511 AQRIFVGHWCRZRK-CYBMUJFWSA-N 404.427 -0.137 50 20 HBGD CCn1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)n1 1830726137 WARLOPYWQSAEAE-YOEHRIQHSA-N 400.863 -0.427 50 20 HBGD CNC(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1831279543 KXZCXEZOOUGFAX-XHDPSFHLSA-N 406.277 -0.638 50 20 HBGD C[C@H](CC(N)=O)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833306649 VRDOLPBFQZOQOO-DOMZBBRYSA-N 402.923 -0.331 50 20 HBGD CC(C)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCO2)C1 1835736841 XAUMPAQNPAPUPF-ACJLOTCBSA-N 418.922 -0.699 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC3(F)F)C2)C1 1835930560 NGLVTOUCYGOKKU-CRAIPNDOSA-N 424.209 -0.908 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)OC)CCO2)C1 1840322384 ALEDXKPNZUZLFO-WBMJQRKESA-N 407.851 -0.947 50 20 HBGD Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)CC1 728435336 YOLNPHNBCUVKKU-LLVKDONJSA-N 420.517 -0.779 50 20 HBGD CC(C)N(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 729275255 MUMLMWPJLISUCJ-NSHDSACASA-N 420.513 -0.586 50 20 HBGD COCCNS(=O)(=O)c1c[nH]c(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 741144203 KILWHYPXAMOZKK-HNNXBMFYSA-N 424.435 -0.460 50 20 HBGD O=C(CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)c1ccc2c(c1)OCCO2 742503149 TXEHACQMGXVDLR-BHTHQVBYSA-N 401.375 -0.619 50 20 HBGD O=C(NNC(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1)N[C@H]1CCS(=O)(=O)C1 746163029 LJFYCIKWZBPJHS-JSGCOSHPSA-N 415.516 -0.132 50 20 HBGD C[C@@H](C(=O)NNc1nc2ccccc2c(=O)n1C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 746257776 GYDZDBIGIGNTNS-XNHWVXRISA-N 411.418 -0.073 50 20 HBGD CS(=O)(=O)N1CCN(CCNC(=O)NNC(=O)Cc2c[nH]c3ccccc23)CC1 749354778 XEFKNZSKRGEEDC-UHFFFAOYSA-N 422.511 -0.382 50 20 HBGD NC(=O)c1n[nH]c2ccc(NC(=O)C(=O)NNC(=O)COc3ccccc3F)cc12 763682777 OJPHVJNQBCRDNB-UHFFFAOYSA-N 414.353 -0.034 50 20 HBGD O=C(CCN1C(=O)NC2(CCCC2)C1=O)NNC(=O)CNC(=O)c1cccnc1 763821179 TXSKLMDQDIPBTJ-UHFFFAOYSA-N 402.411 -0.787 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc3c(s2)CCOC3)n(C)c1=O 765733072 ZZVFJWITLWESLU-UHFFFAOYSA-N 418.435 -0.971 50 20 HBGD COCCCS(=O)(=O)NCC(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1 770124895 NQQVMVVQOUEXHV-UHFFFAOYSA-N 400.457 -0.655 50 20 HBGD CNS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)Cc2ccccc2C)cn1 770460689 WQCWSNOQSAPONZ-UHFFFAOYSA-N 420.447 -0.155 50 20 HBGD CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cn1 771094267 MHOQMAUZCWTAFP-UHFFFAOYSA-N 416.423 -0.618 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1 801109584 UTMRQKOILWJSAX-OCCSQVGLSA-N 422.463 -0.883 50 20 HBGD COCCNC(=O)c1cccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 806624739 GPFPQQGILJNAON-SNVBAGLBSA-N 401.445 -0.847 50 20 HBGD Cn1nncc1NNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 816768905 MNSXKHTUKLWQNL-UHFFFAOYSA-N 421.483 -0.429 50 20 HBGD CCOC(=O)N1CCN(S(=O)(=O)NNC(=O)c2n[nH]c3c2CCCC3)CC1 1332161666 PIWOUFWASWCUSA-UHFFFAOYSA-N 400.461 -0.458 50 20 HBGD CN(CC(=O)N1CCO[C@]2(CCN(C(=O)[C@](C)(Cl)CCl)C2)C1)C(=O)C(=O)O 1781231762 DTKXMCSQMPBWSL-HZPDHXFCSA-N 424.281 -0.404 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCOCC3)C[C@@H]21)[C@H](O)CCl 1784089866 LAJXMDXFSMGEKY-JONQDZQNSA-N 403.907 -0.712 50 20 HBGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@H]2C1 1786892796 NFVBDDQVGMPZJK-NWBUJAPZSA-N 419.320 -0.658 50 20 HBGD O=C1C[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCBr)C[C@@H]32)CN1 1790859014 HAGTWADRHKASRX-CYDGBPFRSA-N 402.289 -0.113 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)C1=COCCC1 1791328268 ISCLLSAPIVARAC-SNRMKQJTSA-N 414.267 -0.346 50 20 HBGD O=C(Cn1cccc([N+](=O)[O-])c1=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)CCl 1793112337 DWHOWRVTYUMKNU-GFQSEFKGSA-N 412.830 -0.006 50 20 HBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCCS1(=O)=O 1800395498 ITARGLHARYTJRF-XHJNMGKDSA-N 408.904 -0.593 50 20 HBGD COc1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)cn1 1801009665 ZXJMKBKEUHJRRC-IVWMJMPLSA-N 420.470 -0.939 50 20 HBGD C[C@H](CN)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1814741432 KHCYMRXPPLVBKF-ZWNOBZJWSA-N 402.285 -0.357 50 20 HBGD CCOC(=O)N[C@H](O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](O)CCl)CC2 1819458851 XGMVZCPYCYORMN-DXVIDONBSA-N 420.875 -0.281 50 20 HBGD N=C(N)NCC(=O)NC1CCN(C2CCN(C(=O)[C@H](F)Br)CC2)CC1 1834679086 ONNIJAZKCPBQEU-ZDUSSCGKSA-N 421.315 -0.268 50 20 HBGD C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837461261 RSAIVQLQRJTMME-FQEVSTJZSA-N 415.450 -0.832 50 20 HBGD CC[C@H](Br)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@H]1NC(=O)NC1=O 1848132737 RYNMOUDIMPUFDS-VLEAKVRGSA-N 401.261 -0.040 50 20 HBGD COCCCNC(=O)NNS(=O)(=O)c1cc(C(=O)OC)ccc1C(=O)OC 145105110 SQZYRUHYAPROAO-UHFFFAOYSA-N 403.413 -0.211 50 20 HBGD O=C(CNC(=O)c1cc(-c2ccccc2)on1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 726528305 SEJQPEJRNFMYSE-LBPRGKRZSA-N 421.435 -0.411 50 20 HBGD C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C)C2=O 728178427 ARZCYRRBRSINGP-PBFPGSCMSA-N 400.501 -0.021 50 20 HBGD C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)NNC(=O)C(=O)NC3CC3)n(C)c2)C1 730207455 QFDOAEXXQMCPSA-LLVKDONJSA-N 411.484 -0.515 50 20 HBGD COc1ccc(OCC(=O)NNC(=O)NC2CCN(CC(=O)N(C)C)CC2)cc1 731761854 KCKWBDUIIZPKFC-UHFFFAOYSA-N 407.471 -0.043 50 20 HBGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)c1ccc2c(c1)OCO2 742033278 MKHVXNLNRWGYPR-JTQLQIEISA-N 423.451 -0.106 50 20 HBGD Cc1cc(C)cc(OCC(=O)NNC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1 742472851 WNJIRFZQRVSZPJ-KNCCTNLNSA-N 401.419 -0.008 50 20 HBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCN(C(=O)NC2CCCC2)C1 746102371 AWEJIGQHQDOZAV-QWHCGFSZSA-N 400.501 -0.067 50 20 HBGD Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 748641310 JJNWMLDLCVVIMY-SNVBAGLBSA-N 406.442 -0.109 50 20 HBGD COc1cc(OC)cc(C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)c1 755045475 HLMKTVQEARUEQH-JTQLQIEISA-N 411.440 -0.435 50 20 HBGD CCS(=O)(=O)Nc1ccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1 756565098 VJPCHVVRGVXVBU-SECBINFHSA-N 407.474 -0.461 50 20 HBGD CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NNC(=O)CNC(=O)c1cccnc1 764342667 PLXOPHSSYMKZKL-CQSZACIVSA-N 411.484 -0.447 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)/C=C/c2ccc(Cl)cc2)n(C)c1=O 765732980 ZHHZHOSUHXYSIB-VMPITWQZSA-N 416.825 -0.052 50 20 HBGD COC(=O)N1CC(NC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)C1 770426950 ARIGXSCSAQUASF-UHFFFAOYSA-N 404.471 -0.020 50 20 HBGD CCN1CCN(c2cccc(NC(=O)C(=O)NNC(=O)[C@H](C)OCCOC)c2)CC1 770783007 XBBCWBJVQZYIIT-HNNXBMFYSA-N 421.498 -0.034 50 20 HBGD CCOC(=O)c1cnc(NNC(=O)[C@@H](C)N2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)nc1C 778425465 AAYGZCWKLMZEBY-FZGMBXNASA-N 417.422 -0.044 50 20 HBGD CCNC(=O)N(C)NC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 780706178 LZDXIABJGYXOHX-UHFFFAOYSA-N 411.484 -0.155 50 20 HBGD CNC(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)c1 784005129 QAAVZKRYYYGYQT-UHFFFAOYSA-N 417.447 -0.068 50 20 HBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 808045913 SCVOQGMSEQXXJD-INIZCTEOSA-N 414.459 -0.461 50 20 HBGD O=C(NNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)c1cccc([N+](=O)[O-])c1 914829680 LKXKXSGUIDRMOL-YPMHNXCESA-N 410.408 -0.609 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCC(NC(=O)NNC(=O)C(=O)NC3CC3)CC2)cc1 916235703 OBZHWUCHPYTICB-UHFFFAOYSA-N 423.495 -0.243 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)N1CCC(C(=O)N2CCOCC2)CC1 1115948393 USJCLUAFNJELQM-UHFFFAOYSA-N 407.427 -0.679 50 20 HBGD C[Si](C)(C)OCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1779296065 INATVPZFBHUEDE-IBGZPJMESA-N 420.347 -0.339 50 20 HBGD C[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1783540404 WAUBCZWDKMPIJD-LRDDRELGSA-N 419.320 -0.027 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCCCC3)C[C@@H]21 1791289192 NILLQDGEZIDNCS-BZSNNMDCSA-N 423.558 -0.175 50 20 HBGD O=C(C#Cc1ccccc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1795275931 ZIFGTDJDLVKACH-HATOLVCRSA-N 418.258 -0.379 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CN 1795511223 KAPVMHSYTHXRPV-QLHHLMATSA-N 404.471 -0.695 50 20 HBGD COc1nccnc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796188368 VQOGWAXWNQTLLJ-MUJYYYPQSA-N 410.239 -0.269 50 20 HBGD C=CC(=O)N[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1798614668 HAPXPQPARBLKOC-FQUUOJAGSA-N 414.466 -0.372 50 20 HBGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)C1 1800529325 HDFPHSQMNCEMNF-VXUPGSCNSA-N 402.289 -0.114 50 20 HBGD CCOCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1801495655 LRVXOHZVDLNJCR-FVCICTRLSA-N 405.455 -0.685 50 20 HBGD O=C(CC[C@@H]1CCOC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1801577005 DDYWTQSIRGQRAH-DFYYWFRZSA-N 416.283 -0.614 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H]2C[C@H](O)CN2)n[nH]1 1820753971 RMYWUDYILCEYCR-QEJZJMRPSA-N 421.502 -0.502 50 20 HBGD O=C1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C(Cl)Cl)C3)C2)CN1 1829960193 QBUDMGLNXOQVGP-ZBEGNZNMSA-N 408.282 -0.227 50 20 HBGD O=C1CCCCN1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830737683 HZCZZPWHLOZWEL-KSSFIOAISA-N 417.890 -0.945 50 20 HBGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1)n1ccnc1 1830972707 YFSCJQYZPGXDKD-JKIFEVAISA-N 400.863 -0.500 50 20 HBGD O=C(c1ncc(Cl)cn1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1833783353 RTWCQMBBCAEUFG-MLGOLLRUSA-N 419.265 -0.200 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cc(C)[nH]n3)CCO2)C1 1837591541 QCVYDNLRWHZOJZ-MAUKXSAKSA-N 414.890 -0.029 50 20 HBGD CSCC[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840195422 ZFGIVPKJUJWKGZ-ZENOOKHLSA-N 410.920 -0.844 50 20 HBGD COC(=O)CSCC(=O)N1CCCC12CN(C(=O)CCC(=O)NN(C)C)C2 1841614679 AFCNJGXBBRZQBM-UHFFFAOYSA-N 400.501 -0.531 50 20 HBGD CCC[C@@H](NC(C)=O)C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1847008558 BNQAOHLPWVEKRG-MRXNPFEDSA-N 416.482 -0.193 50 20 HBGD COc1cc(C(=O)NCC(=O)NNC(=O)C(=O)NC(C)C)ccc1OC(F)F 8390746 LEBDDCJFGRSRLJ-UHFFFAOYSA-N 402.354 -0.302 50 20 HBGD Cn1cc(C(=O)NNC(=O)[C@H](CCC(N)=O)NC(=O)OCc2ccccc2)cn1 735471450 YBPVCIYELPZEHW-AWEZNQCLSA-N 402.411 -0.258 50 20 HBGD Cn1ncc2c(O)nc(CCC(=O)OCC(=O)NNC(=O)c3cccc(C#N)c3)nc21 741815121 MIXZSPVHRVVRKI-UHFFFAOYSA-N 423.389 -0.122 50 20 HBGD CN1CCN(C(=O)c2ccc(CNC(=O)NNC(=O)C(=O)N3CCCC3)cc2)CC1 748443389 AECGSLSTWKPPRQ-UHFFFAOYSA-N 416.482 -0.473 50 20 HBGD CC1(Cn2cc(C(=O)OCC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)nn2)COC1 759764767 FOVLNCCTVXAVTF-UHFFFAOYSA-N 418.366 -0.159 50 20 HBGD Cc1csc(CC(=O)NNC(=O)COC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)n1 761191599 FWUIMEVDRIXBGR-KRWDZBQOSA-N 423.451 -0.595 50 20 HBGD Cc1coc(-c2cc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)ccc2C)n1 764232180 SCQCIRDOBXICMR-NSHDSACASA-N 423.451 -0.018 50 20 HBGD CC(=O)N1CCN(C(=O)CCNC(=O)NNc2cccc(S(C)(=O)=O)c2)CC1 776621068 INMLAUFEZZYUKX-UHFFFAOYSA-N 411.484 -0.203 50 20 HBGD Cn1cnn(CC(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)c1=O 778901686 BBDYCPDFQJPNBF-UHFFFAOYSA-N 421.889 -0.800 50 20 HBGD COc1nc(Br)ccc1NC(=O)C(=O)NN[C@@]1(C)CCS(=O)(=O)C1 789590048 PRJHFFIXOHIFED-ZDUSSCGKSA-N 421.273 -0.011 50 20 HBGD CC(C)(C)NS(=O)(=O)CC(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1 802063485 GZOMTLXNLLEKIH-UHFFFAOYSA-N 406.486 -0.039 50 20 HBGD Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)NNC(=O)C(=O)NC1CC1 807545895 MFDMGXRCSUKYPP-UHFFFAOYSA-N 417.875 -0.464 50 20 HBGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NCCS(=O)(=O)N(C)C)nc1 812691945 MIKNUCMJQIUWBG-UHFFFAOYSA-N 422.533 -0.370 50 20 HBGD COC(=O)CNC(=O)c1ccc(NC(=O)NNC(=O)[C@@H]2CCc3nncn3C2)cc1 814524031 LINWWZHVAXILLI-GFCCVEGCSA-N 415.410 -0.404 50 20 HBGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)CN(C)S(=O)(=O)N(C)C)cc1 816817769 JYLIVEZOXRABJQ-GFCCVEGCSA-N 402.473 -0.262 50 20 HBGD O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)NNC(=O)C(=O)NC1CC1 916295087 IHOWEJCFXOOSCE-UHFFFAOYSA-N 403.848 -0.773 50 20 HBGD Cn1nc(C(=O)NNC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)c2ccccc2c1=O 920238717 JKVXMBYMJCJIEP-NSHDSACASA-N 422.467 -0.699 50 20 HBGD O=C(CNC(=O)c1c(F)cccc1Cl)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1338112561 NRDNFGQAHWAJPQ-QMMMGPOBSA-N 406.823 -0.274 50 20 HBGD CCOC(=O)N[C@@H](O)C(=O)N1CC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1778781573 GBPVNVRUZUCFGV-SWLSCSKDSA-N 422.276 -0.334 50 20 HBGD Cc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n[nH]1 1779032467 KZOGGRIOAPFETK-LJQANCHMSA-N 413.438 -0.526 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)[C@H]3CCCS3)C2)C1 1784790676 NOZCTLBSJHQTBB-APWZRJJASA-N 404.297 -0.295 50 20 HBGD CCOC(=O)N[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCBr 1795115559 ALDUPRSOCFVKPI-LFSVMHDDSA-N 422.276 -0.575 50 20 HBGD CC(C)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795737692 KETKHYKHZVUXEN-MIFYACCESA-N 408.691 -0.165 50 20 HBGD C[C@@H]1C[C@@]1(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1799163375 AGKCZWPRBNPLBU-GCEGIPFESA-N 401.467 -0.066 50 20 HBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)N1CCN(C)CC1 1799186945 VUWQZLQHQKKEDV-SIRPWMCASA-N 416.950 -0.534 50 20 HBGD CCN(C)[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1800163349 NXQUXELHZIJKIS-VWPFQQQWSA-N 418.498 -0.772 50 20 HBGD NC(=O)c1nccnc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(Cl)Cl 1801016604 ONCGDPCAGAHSJY-AYMMMOKOSA-N 402.238 -0.418 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1ccncc1=O 1801259886 MROBXLLTQDUSHI-QDMKHBRRSA-N 404.471 -0.746 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[C@H]1CCCSC1 1802052336 WDEVUQHFHCKKOJ-CUSZFKRNSA-N 418.324 -0.287 50 20 HBGD O=C1C[C@H](C(=O)N2CCC3(CCCN(C(=O)c4cccc(B(O)O)c4)C3)CC2)CN1 1809980228 OMJMFQSAKDTKHR-INIZCTEOSA-N 413.283 -0.653 50 20 HBGD CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830723891 STAHXRBFZCLVCL-RDTXWAMCSA-N 416.906 -0.676 50 20 HBGD Cc1noc(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1834062371 IPDDJGZDCSHBCK-CXAGYDPISA-N 401.847 -0.039 50 20 HBGD O=C(c1cc(=O)cco1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1834601574 SPWMVADNHDTJPK-GUYCJALGSA-N 400.815 -0.691 50 20 HBGD O=C(c1cnn2cccnc12)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1836843569 QAJRQLSISFJHFL-KBXCAEBGSA-N 423.857 -0.601 50 20 HBGD CNC(=O)CC(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837710101 IDNQWWFGBHFOBC-KRWDZBQOSA-N 401.536 -0.570 50 20 HBGD C/C=C(\C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839818725 COIVEBOVEQXMFJ-NVGMFHGRSA-N 402.256 -0.597 50 20 HBGD CC[C@@H](Br)C(=O)N1CC2(CCCN2C(=O)C[C@H]2NC(=O)NC2=O)C1 1841962975 QPUIKPFOFIBAAA-NXEZZACHSA-N 401.261 -0.039 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)[C@@H](N)c1ccccn1)C2 1844263922 MCUDCAFGLWRHKA-INIZCTEOSA-N 409.450 -0.403 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCCC12CN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2 1844377893 GMDVOAFDSNHFJC-UHFFFAOYSA-N 405.491 -0.519 50 20 HBGD CN1CCN(C[C@@H](NC(=O)NNC(=O)C(=O)N2CCCC2)c2ccccc2)CC1 727945437 JJTUFMGMLPVTCC-QGZVFWFLSA-N 402.499 -0.072 50 20 HBGD O=C(NCCS(=O)(=O)N1CCSCC1)NNC(=O)c1cccc([N+](=O)[O-])c1 730672209 CNRFONGUXUVOBR-UHFFFAOYSA-N 417.469 -0.083 50 20 HBGD C[C@H]1CN(CCC(=O)NNC(=O)CN(C)S(=O)(=O)c2cccnc2)C[C@@H](C)O1 732261694 FHZSXVDZGGSYIC-OKILXGFUSA-N 413.500 -0.651 50 20 HBGD CC(=O)c1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)C3CC3)CC2)cc1 733193192 IMYDAXKOWSKMCO-UHFFFAOYSA-N 408.480 -0.247 50 20 HBGD CC(C)n1nc(C(=O)NNC(=O)c2cn(C)c(=O)n(C)c2=O)c2ccccc2c1=O 735028148 HUQPWGQJWAHXCY-UHFFFAOYSA-N 412.406 -0.550 50 20 HBGD COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)N2CCOCC2)c1 745996442 XWHSGJFQDWUODQ-UHFFFAOYSA-N 420.875 -0.049 50 20 HBGD CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)NNC(=O)CNC(=O)c2cccs2)C1=O 752011057 XOVPXDSRBIWYKL-DYZYQPBXSA-N 422.467 -0.471 50 20 HBGD COc1ccc(C(=O)NNC(=O)CN[C@H](CC(N)=O)C2CCOCC2)cc1OC 754503519 VAXLZZJCYVEJTR-CQSZACIVSA-N 408.455 -0.275 50 20 HBGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1C 764401828 XRNQPXZBUFCLMJ-AWEZNQCLSA-N 408.455 -0.031 50 20 HBGD CN1CCC(N(C)c2ccc(NC(=O)C(=O)NNC(=O)[C@@H]3COCCO3)cc2)CC1 764431960 HGLBZFQXHXJKJQ-KRWDZBQOSA-N 419.482 -0.282 50 20 HBGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1 764434497 QFXGKKSZDKRNEX-CYBMUJFWSA-N 400.395 -0.150 50 20 HBGD O=C(CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1)NNC(=O)c1cccc(Cl)c1 782777430 ZTGNTZFWPLYUAY-OAHLLOKOSA-N 414.915 -0.094 50 20 HBGD Cc1cc(C)n(CC(=O)NNC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)n1 806567568 ZXOIGJPEVRNMDQ-JTQLQIEISA-N 414.410 -0.347 50 20 HBGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 815691666 XLAQPWYNGSINCI-MRVPVSSYSA-N 408.321 -0.052 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)COCc3nncn3C)cc2)CC1 815854444 CLGHPTXMMIFXGD-UHFFFAOYSA-N 423.499 -0.589 50 20 HBGD COc1ccc(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c2cccnc12 919961250 YJNNNYLCJJOPPN-JTQLQIEISA-N 414.465 -0.077 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1778840580 WETVFLGHVPGVLP-BPJPHKDRSA-N 421.498 -0.976 50 20 HBGD O=C(CN1C(=O)C=CC1=O)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781333851 GTNIDXKGMBQGKB-UKRRQHHQSA-N 418.219 -0.568 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2)[C@@H](O)CCl 1792984244 ZVUZIWJUJBWMGK-WJZNIJOASA-N 421.928 -0.964 50 20 HBGD O=C(CCBr)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)N1CCOCC1)C2 1795115583 ASASPZQOXDNCLT-NEBZKDRISA-N 420.304 -0.988 50 20 HBGD O=C(CN1CCCCC1=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796190313 NGWULTVDWOOYFG-BCDXTJNWSA-N 413.283 -0.369 50 20 HBGD O=C(C[C@H]1NC(=O)NC1=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Br 1800156748 AGCFIRPWCPGEKH-LALMQGGXSA-N 405.224 -0.087 50 20 HBGD CC(=O)NCC(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807372381 DVMCACQPIJYTSD-YLJYHZDGSA-N 424.266 -0.783 50 20 HBGD C[C@H](O)C(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1812858578 VOUDTDRORHGHOZ-QEORTHHSSA-N 412.450 -0.220 50 20 HBGD C[C@H](C(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@H]1c1cccnc1)n1cnnn1 1813469741 KHPNMRUKXSFITD-UNQGMJICSA-N 407.862 -0.065 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@H]1C1CC1)CCO2 1830505644 LKWJIDTYJPPTEJ-FIKGOQFSSA-N 422.526 -0.138 50 20 HBGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CC(=O)NC)CCO2)C1 1831279209 GHMRGZLWUQARCD-WBMJQRKESA-N 420.304 -0.248 50 20 HBGD O=C(CN1CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1835372314 KPUXMJCIZLUROC-CRAIPNDOSA-N 403.907 -0.472 50 20 HBGD CC(C)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1835482585 CPRKPWWKSRTWDC-IBGZPJMESA-N 423.445 -0.497 50 20 HBGD CC(=O)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840035349 OAFAFEDMSGLPOZ-MLGOLLRUSA-N 420.304 -0.248 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)COC(=O)C(F)(F)F)C1 1844206325 ZXVLMYAXXXDTAK-UHFFFAOYSA-N 414.145 -0.711 50 20 HBGD O=C(COCc1ccccc1)NNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 737926321 FBAAFIVQPHMSOJ-LSDHHAIUSA-N 409.464 -0.614 50 20 HBGD COc1ccccc1OCC(=O)NNC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 742471213 AWCXUEFHMUVTMN-OMNBBPDLSA-N 403.391 -0.616 50 20 HBGD CCn1c(=O)nc(O)c2c(C(=O)NNC(=O)[C@@H]3COCCO3)cc(C3CC3)nc21 744647986 DMXVFJRFDIEEOJ-LBPRGKRZSA-N 403.395 -0.429 50 20 HBGD NS(=O)(=O)c1ccc(OCCSCC(=O)NNC(=O)N2CCOCC2)cc1 745986403 SGZZAMPMXGIZSC-UHFFFAOYSA-N 418.497 -0.481 50 20 HBGD O=C(NCCNS(=O)(=O)Cc1ccon1)NNC(=O)[C@@H]1Cc2ccccc2O1 750274224 BUOQWLSLEMBAQR-AWEZNQCLSA-N 409.424 -0.572 50 20 HBGD Cc1nc2nc(N)nn2c(C)c1CCC(=O)NNC(=O)CNC(=O)c1cccs1 751209373 PDJYNXDEKHBJLY-UHFFFAOYSA-N 416.467 -0.105 50 20 HBGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)co1 755408063 VGAFGJBLCPEICP-UHFFFAOYSA-N 405.392 -0.491 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)/C=C\c2ccccc2F)n(C)c1=O 765730331 JPEGXDTVIOGVCF-FPLPWBNLSA-N 400.370 -0.566 50 20 HBGD CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1 770107437 JVNHUNYRPMUHRO-CQSZACIVSA-N 410.452 -0.174 50 20 HBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)N[C@@H](C)CO)cc1 772002986 HSMQJYWGYZUXIY-WDEREUQCSA-N 401.441 -0.552 50 20 HBGD Cn1nccc1NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 775751559 GRBFUYNDGFFFAA-UHFFFAOYSA-N 408.440 -0.093 50 20 HBGD C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNc1cccc(S(C)(=O)=O)c1 776541211 KSQMCVIGUQZDML-SNVBAGLBSA-N 401.470 -0.366 50 20 HBGD O=C(COC(=O)CCN1C(=O)CCC1=O)NNC(=O)[C@@H]1COc2ccccc2O1 791746895 ATHIZDPJAWZZFJ-ZDUSSCGKSA-N 405.363 -0.944 50 20 HBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 793556115 URQVMMYITAIRSG-QGZVFWFLSA-N 411.459 -0.946 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@H]2CCc3nnn(C)c3C2)cc1 809983387 IDVYMFKELXYTMG-ZDUSSCGKSA-N 420.495 -0.303 50 20 HBGD CN1CCN(C(C)(C)CNC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)CC1 1323180151 UWDRIGFBSZNJLR-UHFFFAOYSA-N 415.498 -0.097 50 20 HBGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2cn(C3CCOCC3)nn2)n1 1327574094 IEXHJLOBSUVSRQ-UHFFFAOYSA-N 408.440 -0.059 50 20 HBGD O=C1NCc2cc(C(=O)N3CC[C@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)ccc21 1778722305 SZKARPQJTJEQEU-KXBFYZLASA-N 407.854 -0.027 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)C[C@@](C)(O)CC(=O)O)C2)C1 1783932303 XEKRIUIODVTMIH-JCURWCKSSA-N 406.863 -0.314 50 20 HBGD C[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1)n1ccnc1 1783933089 CFASLBVMGFKPOP-HNAYVOBHSA-N 406.487 -0.353 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccn(C)n3)C[C@@H]21 1791289055 GGLHOGCSTHROTL-XIRDDKMYSA-N 420.514 -0.685 50 20 HBGD CC(C)OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1792613003 MVRICSSHXMJHON-FVCICTRLSA-N 405.455 -0.687 50 20 HBGD Cc1ccc(C(=O)NCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)cc1 1792983436 NQIPFYIMRKPBHK-KYHPRHEASA-N 423.897 -0.086 50 20 HBGD Cc1cncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)c1 1794809724 VOFLCSBTTHCFMC-JLVBRIDZSA-N 424.461 -0.094 50 20 HBGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@@H](N)C(N)=O)C2 1800640222 ZQXJGUOJOZRGOR-CYRBOEJBSA-N 419.320 -0.658 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCCN1C)C2 1801009112 QBEXJYDEGHZDQQ-YYAJDYIMSA-N 409.531 -0.567 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(O)cn1 1801466873 BOEFIPNLWIRHIL-VTEUUUEMSA-N 419.482 -0.708 50 20 HBGD CC(=O)C(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1806248288 MWXOJTXPOOTNPM-WMLDXEAASA-N 410.434 -0.011 50 20 HBGD C[C@H](NC=O)C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815343723 LKRBCJPWIOXCGJ-GXFFZTMASA-N 416.268 -0.817 50 20 HBGD O=C(CCc1cn[nH]c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830727031 ZNCWIPDHCHVQJE-RHSMWYFYSA-N 400.863 -0.602 50 20 HBGD O=C(CC[C@@H]1CCOC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830738123 LXZBORQWXQYCDJ-RVKKMQEKSA-N 404.891 -0.141 50 20 HBGD C[C@H](C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1)n1cnnn1 1833313187 YWTKLWIVVFEQGV-IUODEOHRSA-N 413.910 -0.595 50 20 HBGD CC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1834899678 XFZQSEPUOMFFFS-HXUWFJFHSA-N 404.272 -0.518 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC3(F)F)C2)C1 1835937474 YQLKCHHAXITDNR-YJBOKZPZSA-N 424.209 -0.908 50 20 HBGD O=C(c1ccnc(Cl)n1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837919543 BNCVCIGQUOPEKF-BLLLJJGKSA-N 419.265 -0.200 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c[nH]c(=O)cn3)CCO2)C1 1838643027 XVUBQHHDJBXGTR-PXAZEXFGSA-N 414.846 -0.906 50 20 HBGD CCOC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)CC1 1839759597 BBKLNVVXAISNHG-DYVFJYSZSA-N 418.874 -0.614 50 20 HBGD CS(=O)(=O)NC1(CNC(=O)NNC(=O)CNC(=O)c2ccco2)CCCCC1 726090641 WDZREJFFVDKHTL-UHFFFAOYSA-N 415.472 -0.408 50 20 HBGD COc1ccc(CN2C[C@@H](C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)CC2=O)cc1 726499722 ILAGXFAPDZCKCI-KGLIPLIRSA-N 409.464 -0.374 50 20 HBGD CCN(CC)CC(=O)N1CCN(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 728930264 MLQJXJJATSQGRM-UHFFFAOYSA-N 420.470 -0.158 50 20 HBGD NC(=O)c1ccc(/C=C/C(=O)N2CCC[C@@H]2C(=O)NNC(=O)N2CCOCC2)cc1 745995833 DUUSJNXDIWMRLY-CDVVCGDMSA-N 415.450 -0.137 50 20 HBGD CC(C)OCCS(=O)(=O)NCC(=O)NNC(=O)Cc1nc2ccccc2n1C 747906907 WZRSQRIXLCAFMB-UHFFFAOYSA-N 411.484 -0.392 50 20 HBGD C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NNC(=O)C(=O)N2CCCC2)C1=O 748247904 YIOUOJVKICKNDF-GOSISDBHSA-N 405.386 -0.638 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(N2CCCC2)c(F)c1 764231133 MURSKTRCIHRJKW-JTQLQIEISA-N 415.447 -0.551 50 20 HBGD Cc1cc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c2n[nH]cc2c1 766644067 NQYCIPQWWBMMLZ-UHFFFAOYSA-N 410.394 -0.920 50 20 HBGD CNS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)c2cccc(C)c2)cn1 770459901 XZTAPAJAYGYVDJ-UHFFFAOYSA-N 406.420 -0.084 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)Cn2ccc(C)cc2=O)cc1 770813090 BNJMXJJXDZDHDW-UHFFFAOYSA-N 406.464 -0.067 50 20 HBGD Cc1c(C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)cnc2c1c(=O)n(C)c(=O)n2C 772216312 YNIRTNMTOAUHKC-NSHDSACASA-N 419.438 -0.321 50 20 HBGD COc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)CO)CC2)cc1OC 777782414 BJXKENARBOFZSO-UHFFFAOYSA-N 401.441 -0.756 50 20 HBGD Cc1cccc(=O)n1C[C@](C)(O)C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C 792174742 MLFXYLBIAITVTP-SFHVURJKSA-N 411.459 -0.237 50 20 HBGD COCCNS(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)c1 816877018 KDTMVSITKKNFNJ-CYBMUJFWSA-N 422.467 -0.774 50 20 HBGD O=C(NNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)c1ccc2c(c1)OCO2 912952987 JSFBHVVLZIWYBU-RYUDHWBXSA-N 409.420 -0.788 50 20 HBGD CC[C@@H](C)NC(=O)CN1CCN(CC(=O)NNC(=O)Cc2nc(C)cs2)CC1 913054495 WHUGXWVGWONIJD-CYBMUJFWSA-N 410.544 -0.326 50 20 HBGD COc1ccccc1OCC(=O)NNC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 916741243 PXAZMRIGHBFZRT-UHFFFAOYSA-N 413.390 -0.519 50 20 HBGD C[C@@H](NC(=O)c1ccoc1)C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 917317798 OAVNSLBACWTGIN-ABAIWWIYSA-N 417.374 -0.072 50 20 HBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C1CCN(C(=O)COc2ccccc2)CC1 1317820568 BENSPHLYGNKPNN-OAHLLOKOSA-N 423.491 -0.114 50 20 HBGD Cn1cnc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1Cl 1337298387 PYVZILYBVCHCGK-UHFFFAOYSA-N 406.877 -0.010 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)c1ccccc1)CCO2 1783933716 FNSBLBIJFOTIJU-CTNGQTDRSA-N 418.494 -0.077 50 20 HBGD Cc1nnsc1C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783934180 BRMHMNWVIPCRIU-QGZVFWFLSA-N 410.500 -0.337 50 20 HBGD Cc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)nn1C 1783936214 ISFRYJKVWMCGGP-LJQANCHMSA-N 406.487 -0.455 50 20 HBGD CC[C@@H](C)[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1784543920 IHKYXGIBGTXKEJ-CRWDZZMISA-N 418.299 -0.633 50 20 HBGD N[C@@H](Cc1cscn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1787396719 AZQBDGYYZYEZQF-PSWFKFNGSA-N 416.931 -0.408 50 20 HBGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)CN3)C[C@@H]21 1791061592 YDFBVPFEVRVVFT-LHEWDLALSA-N 404.305 -0.528 50 20 HBGD C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791288035 OZHHDXHAFPBNLX-QAETUUGQSA-N 408.499 -0.623 50 20 HBGD O=C(/C=C/c1cnc[nH]1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1791503579 JLHCXENMYFIWFT-COHABUEWSA-N 424.266 -0.604 50 20 HBGD C=CC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2 1797945925 ANLYVEYVNWEIPC-DQYMBCKPSA-N 406.252 -0.043 50 20 HBGD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1)[C@@H](O)CCl 1803135680 FOSGHFPPEHDRJM-HEHGZKQESA-N 423.857 -0.761 50 20 HBGD CC(=O)NCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817476006 ZJKPHORBCFAJES-MRXNPFEDSA-N 413.243 -0.469 50 20 HBGD Cc1nc(N)sc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830723575 QADMKEZCOCNDBM-BDJLRTHQSA-N 418.903 -0.297 50 20 HBGD Cc1onc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1C 1831971991 WHFUJOKGGZWXCX-SUMWQHHRSA-N 401.847 -0.039 50 20 HBGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1 1834821197 AYSPYCHESIDOSL-ZENOOKHLSA-N 405.289 -0.001 50 20 HBGD CN(CC(=O)N1CCC(N2CCC(NC(=O)[C@@H](F)Cl)CC2)CC1)C(=O)C(=O)O 1835081543 VHXROXBCQXICHW-CQSZACIVSA-N 420.869 -0.365 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CC(N)=O)C2)C1 1840030225 FZHHEYRFCPEDAA-BFQNTYOBSA-N 420.304 -0.262 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn(C)c3)C2)C1 1840183721 VXAJITVCWABKNR-HXUWFJFHSA-N 421.498 -0.532 50 20 HBGD Cc1nc2ccccn2c1C(=O)NNS(=O)(=O)c1cccc(S(N)(=O)=O)c1 23391724 NVZMLLCVNSOEGD-UHFFFAOYSA-N 409.449 -0.087 50 20 HBGD COc1ccc(C(=O)NNC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)cc1OC 43745564 PVKYAVFSWSZPIS-UHFFFAOYSA-N 413.390 -0.276 50 20 HBGD CC(C)(C(=O)NNC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1)c1ccccc1 746239100 COFHJJHJGXWFLS-UHFFFAOYSA-N 408.436 -0.218 50 20 HBGD CCS(=O)(=O)Nc1ccc(S(=O)(=O)NNC(=O)N2CCOCC2)c(OC)c1 761279915 AZJHZTJVVPCCRJ-UHFFFAOYSA-N 422.485 -0.308 50 20 HBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 764304150 VHCNDUOSHWMUKH-DEDYPNTBSA-N 411.440 -0.768 50 20 HBGD CCC(CC)NC(=O)C(=O)NNC(=O)CCC(=O)N1CCN(c2ccccn2)CC1 765638754 POWWCJJOCCHBNH-UHFFFAOYSA-N 418.498 -0.037 50 20 HBGD Cn1ncc([N+](=O)[O-])c1C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 766973947 NJIXBGOMHSBFHS-GFCCVEGCSA-N 405.323 -0.528 50 20 HBGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccc(I)cn1 773552705 NHZOVCCZXGUOOX-MRVPVSSYSA-N 420.163 -0.813 50 20 HBGD N#CCCNC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 787358737 PJYAJURVPJLHPC-UHFFFAOYSA-N 409.468 -0.116 50 20 HBGD C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NNC(=O)[C@@H]1CCc2nncn2C1 816871136 BLHDKAKIISVTSA-WCQYABFASA-N 417.451 -0.773 50 20 HBGD C[C@@H]1CCCC[C@@H]1NC(=S)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 913498171 PZBDWKCBWUVPTF-MNOVXSKESA-N 407.500 -0.492 50 20 HBGD COc1cccc(C(=O)NNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c1O 919755711 ABXAHSURQNMEPV-GHMZBOCLSA-N 411.436 -0.803 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nc4ncccn4n3)C2)C1 1777833640 UAMLXLNHLXWLLV-SJKOYZFVSA-N 408.846 -0.178 50 20 HBGD O=C1NCCCn2nc(C(=O)N3CC[C@]4(C3)CN(C(=O)[C@@H](F)Cl)CCO4)cc21 1778379704 QOUBJAYRHYSLHU-DYVFJYSZSA-N 413.837 -0.006 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CNCP(=O)(O)O)C[C@@H]21)C(Cl)Cl 1791294174 GOCSWFWQXATTFK-GUBZILKMSA-N 418.214 -0.505 50 20 HBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)CCl 1793111343 DRENBACWRHXDRS-AIEDFZFUSA-N 404.847 -0.281 50 20 HBGD O=C(CCc1ccccn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1794198112 MRYUWLICFVHTRL-UPHUGPLXSA-N 423.278 -0.403 50 20 HBGD CC(C)O[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795734619 UUDPXEKERHQORB-SCNOPHJPSA-N 404.272 -0.617 50 20 HBGD CNC(=O)CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796890671 DBDRJZBEOYUFBF-ONMDDFKGSA-N 402.455 -0.105 50 20 HBGD COC[C@@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2 1797968135 KUMDZJDLXYTYAV-MLGHIDQZSA-N 424.267 -0.582 50 20 HBGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Br)n1cnnn1 1799352480 YWHLJDHJSDANMY-KAMPLNKDSA-N 405.228 -0.486 50 20 HBGD C[C@H](Cn1ccnc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801012447 ZRMNIZTVCIJEAI-OAFZBRQQSA-N 420.514 -0.518 50 20 HBGD N=C1NCCN1CC(=O)N1CC[C@H](CNC(=O)[C@@H](O)CCl)[C@H]1c1cccnc1 1803138998 QNNDPTCNIVHTBG-IJEWVQPXSA-N 408.890 -0.473 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H]2CNC(=O)O2)n[nH]1 1815280206 SUMPANBWEYTXFZ-STQMWFEESA-N 421.458 -0.117 50 20 HBGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)N(C)C)CCO2)C1 1835436261 RPTCGAFDLUTZKZ-WBMJQRKESA-N 420.304 -0.296 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CN(C)C(=O)C(=O)O)CCO2)C1 1839703930 NZHSESMFYAERLQ-PXAZEXFGSA-N 419.862 -0.997 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnco3)C2)C1 1840182941 XBFCAWHHBKBOPB-SFHVURJKSA-N 409.443 -0.882 50 20 HBGD O=C(c1cc2ncccn2n1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014050 RYSSBKBTBUJHFF-UHFFFAOYSA-N 405.223 -0.460 50 20 HBGD CCC[C@@H](NC(C)=O)C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843015754 XQTKITHYPSUBQN-QGZVFWFLSA-N 401.272 -0.512 50 20 HBGD CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCCC12CN(C(=O)[C@@H](O)CCl)C2 1843324746 XZJZSITZPHVOPJ-RYUDHWBXSA-N 405.879 -0.325 50 20 HBGD CC(=O)N1CCN(C(=O)CCNC(=O)NNC(=O)COc2ccc(C#N)cc2)CC1 737065305 QSWPDOASXLWWEK-UHFFFAOYSA-N 416.438 -0.652 50 20 HBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c1c(C)nn(C)c1C 742081642 HMDORRPWTRSIJX-JTQLQIEISA-N 416.504 -0.844 50 20 HBGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)C2CCC3(CC2)NC(=O)NC3=O)cc1 744998488 SFLOOXPTGRVEQD-UHFFFAOYSA-N 413.390 -0.369 50 20 HBGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(CS(N)(=O)=O)cc2)c1 748837694 IDQLLZDOZCAUAZ-UHFFFAOYSA-N 411.461 -0.047 50 20 HBGD C#CCOCCC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 755425626 CDXXYVHACPBVAI-UHFFFAOYSA-N 423.491 -0.173 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(Cl)c1N(C)C 764227357 NQHJZJYDTWSHEN-QMMMGPOBSA-N 405.864 -0.570 50 20 HBGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1 764434919 SNGDRFCRUSWATA-GFCCVEGCSA-N 408.802 -0.519 50 20 HBGD COc1cccc(S(C)(=O)=O)c1NNC(=O)CN1CCN(S(C)(=O)=O)CC1 768645047 KMUGHEKUAVKVCB-UHFFFAOYSA-N 420.513 -0.881 50 20 HBGD COc1cccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1F 771263634 APPLQTOCGGWYRB-UHFFFAOYSA-N 419.373 -0.566 50 20 HBGD COCCO[C@H](C)C(=O)NNC(=O)NCc1cccc(S(=O)(=O)N(C)C)c1 782768569 NNHRVBOYLRYNSW-GFCCVEGCSA-N 402.473 -0.181 50 20 HBGD CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 787741351 WFZGUEAVECLVIJ-MNOVXSKESA-N 418.414 -0.937 50 20 HBGD NC(=O)N1CCC[C@H](C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)C1 805296777 FQLNFTRAGONYHI-SMDDNHRTSA-N 406.395 -0.692 50 20 HBGD COCCN1C[C@H](C(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)CC1=O 914460169 WUZWRXJGIUWIBZ-GFCCVEGCSA-N 411.484 -0.456 50 20 HBGD O=C(c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O)N1CC[C@H](B(O)O)C1 1330263050 YHQBNSUKXYDZQU-STQMWFEESA-N 408.241 -0.301 50 20 HBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C(Cl)Cl)C2)C1 1783941645 FQHJVUJABNBRGU-QMTHXVAHSA-N 416.327 -0.052 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)[C@H]1CCCO1 1787125727 URJAONXLHNUQKU-OWLYRPNTSA-N 402.256 -0.861 50 20 HBGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)n3)C[C@@H]21 1791253950 FZLPKTCKJVWTCX-ZPFDUUQYSA-N 414.846 -0.265 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1csnn1 1793499645 CFFMRVFBZYKHCA-WDAIWFPHSA-N 417.451 -0.946 50 20 HBGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)CCC(N)=O 1795533766 AVMHJJCGXFDFFK-ZUDIRPEPSA-N 419.320 -0.658 50 20 HBGD CC[C@@H](C)[C@@H](N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1795547747 GDGIDVGNRGCSGJ-XIUQWWLSSA-N 418.498 -0.738 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(F)(F)Cl 1801150379 MFFOKPWGNXIJHZ-PTEHBNRSSA-N 402.590 -0.599 50 20 HBGD O=C([C@H](O)CCl)N1CCC([C@@H]2CCCCN2C(=O)[C@H](O)N2CCOCC2)CC1 1828963548 DPTFYEHRCPCDFY-JZXOWHBKSA-N 417.934 -0.144 50 20 HBGD O=C(/C=C/c1cnccn1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830739059 XGDWOFGOHUQXEV-CYFVHWSXSA-N 410.858 -0.454 50 20 HBGD O=C1CC[C@@H](C(=O)N2CCC(N3CCC(NC(=O)[C@H](O)CCl)CC3)CC2)N1 1833309449 VJRMIYWYMHCXTO-LSDHHAIUSA-N 400.907 -0.564 50 20 HBGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)C(F)F 1834452604 XESABTDCQKUVOH-UHFFFAOYSA-N 409.242 -0.183 50 20 HBGD O=C(CC1CCOCC1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1835415925 KYHQYAYIERRYIX-MAUKXSAKSA-N 404.891 -0.141 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3nnc(C)o3)CCO2)C1 1836028752 LOPZMLBMUROYOR-SUMWQHHRSA-N 416.862 -0.369 50 20 HBGD O=C(c1nc2ccc(F)cn2n1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012182 MHSGUEKNCNZKGE-UHFFFAOYSA-N 423.213 -0.321 50 20 HBGD C[C@H](CS(C)(=O)=O)C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844263426 DSNWLIGDEGPTHT-GFCCVEGCSA-N 423.495 -0.817 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCS(=O)(=O)CC1 1848072093 MCBMIWNQHPFJQW-IHRRRGAJSA-N 407.920 -0.828 50 20 HBGD C[C@H](O)[C@@H](NC(=O)C(C)(C)C)C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1 745703833 RKAMMSGTRTVKSK-XHDPSFHLSA-N 404.423 -0.226 50 20 HBGD COc1ccccc1CC(=O)NNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 746396670 JQABLFKBGUGEOU-INIZCTEOSA-N 404.467 -0.434 50 20 HBGD O=C(CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)Cc1cn2ccccc2n1 746553028 CYTLLRXQHDIDRG-HLNSBACISA-N 411.418 -0.423 50 20 HBGD COC(=O)c1ccc(NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(OC)c1 757186327 DDZCECPKKCCHHW-UHFFFAOYSA-N 416.394 -0.628 50 20 HBGD C[C@@H](c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)cc1)N1CCOCC1 764434477 QDEQIWJERXGDSS-XJKSGUPXSA-N 406.439 -0.419 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CNc2ccccc2Cl)n(C)c1=O 766639100 MBPIKKPXFMITKP-UHFFFAOYSA-N 419.829 -0.653 50 20 HBGD CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 770541470 DEKMVOZEKWDPCE-CYBMUJFWSA-N 412.516 -0.196 50 20 HBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@H]1CC(=O)N(c2c(F)cccc2F)C1 770607124 SANUCXTTXNAPQH-UWVGGRQHSA-N 401.391 -0.100 50 20 HBGD Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)C(=O)NNC(=O)C(=O)N1CCCC1 785993984 HQSZFONRNBRAFO-UHFFFAOYSA-N 415.450 -0.157 50 20 HBGD COC(=O)c1cc(OC)c(S(=O)(=O)NNC(=O)[C@H]2CCc3nncn3C2)s1 793448598 VFHAGDUMDTUALD-QMMMGPOBSA-N 415.453 -0.293 50 20 HBGD COc1ccc(S(=O)(=O)NCC(=O)NNC(=O)Cc2cccnc2)cc1OC 810347887 DGRICOOBSVBOGW-UHFFFAOYSA-N 408.436 -0.233 50 20 HBGD C[C@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)N1C(=O)CCC1=O 916030301 UFPXZWNWNLCVDM-GFCCVEGCSA-N 422.463 -0.230 50 20 HBGD CN(C)CCN1CCC(NC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)CC1 1115853372 AYKKCTMYVZWUNQ-UHFFFAOYSA-N 415.498 -0.097 50 20 HBGD Cc1cnoc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779032434 JVDIOBLRSVVRGV-IBGZPJMESA-N 414.422 -0.261 50 20 HBGD C[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCOCC3)CCO2)C1 1783533461 WOKOLSWIRGQYIT-XJKSGUPXSA-N 404.305 -0.068 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCOC3)C2)C1 1784718924 CSLAZONBNSHMID-YJYMSZOUSA-N 403.439 -0.835 50 20 HBGD C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786980173 RDZGIYWDOSSDER-XIVBQZFQSA-N 416.283 -0.449 50 20 HBGD C[C@@H](Br)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(C)C(=O)C(=O)O 1801331429 CZSOBLFNKGQPNG-CHWFTXMASA-N 404.261 -0.049 50 20 HBGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)N(C)C)C2)C1 1830538160 XGDALFSXKCKJLZ-MLGOLLRUSA-N 420.304 -0.438 50 20 HBGD C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837391332 KUJAGNIFWIUZEN-QWQRMKEZSA-N 404.891 -0.384 50 20 HBGD C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837460348 CKNALTDZTHTILE-KPZWWZAWSA-N 423.495 -0.927 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C(=O)OC)CC1)CCO2 1839898704 OKYDTESTIRRMJM-CXAGYDPISA-N 418.874 -0.350 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccco3)C2)C1 1840183436 FDZGUUZVOYRMME-IBGZPJMESA-N 408.455 -0.277 50 20 HBGD C[C@H](CBr)C(=O)N1CCCC12CN(C(=O)CN1C(=O)CNC1=O)C2 1841285763 NJMJENANJITYHJ-SNVBAGLBSA-N 401.261 -0.227 50 20 HBGD CC[C@@H](Br)C(=O)N1CC2(CCCN2C(=O)CN2CC(=O)NC2=O)C1 1841892450 IKYSOHMCMHFEMX-SNVBAGLBSA-N 401.261 -0.085 50 20 HBGD COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNc3nnc(C)c(O)n3)C2=O)cc1 23309842 GKYJLZNKCGSYSE-QGZVFWFLSA-N 401.383 -0.195 50 20 HBGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)[C@@H]1Nc2ccccc2S(=O)(=O)N1 727752959 NRYRMPHMGMYVBS-UKRRQHHQSA-N 404.404 -0.296 50 20 HBGD Cn1cc(C(=O)NNC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)cn1 735521529 GKCKDKIPGHLVGG-UHFFFAOYSA-N 409.424 -0.679 50 20 HBGD C[C@H](CNC(=O)NNC(=O)c1csc(N2CCOCC2)n1)CN1CCOCC1 739059663 SFHYDGOIJWBYEJ-CYBMUJFWSA-N 412.516 -0.108 50 20 HBGD CCC(CC)NC(=O)C(=O)NNC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 740852464 BHMJYHODYNJPNH-HXUWFJFHSA-N 415.450 -0.168 50 20 HBGD Cc1noc(C)c1S(=O)(=O)NC1(C(=O)NNC(=O)[C@H]2COCCO2)CCCC1 746333724 ZLPNOBFQEHOMRZ-GFCCVEGCSA-N 416.456 -0.555 50 20 HBGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(-n2nnnc2SC)c1 764401377 VXUSJONXHRIVGL-SNVBAGLBSA-N 423.455 -0.478 50 20 HBGD CCOCCOc1ccc(Br)cc1NC(=O)C(=O)NNC(=O)CO 764421360 MZKKPTJIDTVEPS-UHFFFAOYSA-N 404.217 -0.057 50 20 HBGD CCSc1cc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)ccn1 766639121 NDWXUXMWZMSXIT-UHFFFAOYSA-N 417.451 -0.598 50 20 HBGD CCOC(=O)c1[nH]c(C)c(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1C 768504128 DSBCYJDUEXAJSB-SNVBAGLBSA-N 422.485 -0.512 50 20 HBGD Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)C(=O)NNC(=O)[C@@H]1COCCO1 785990324 DYAVBJHSLRETPB-HNNXBMFYSA-N 404.423 -0.364 50 20 HBGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)NNC(=O)Cc1ccncc1 793220445 DZFBZRQVODFLCB-UHFFFAOYSA-N 400.395 -0.088 50 20 HBGD CC(C)(C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1)N1CCOCC1 805559465 LKWIVVRMMZEHRQ-OAHLLOKOSA-N 407.423 -0.372 50 20 HBGD O=C(NNc1ccc(-n2ccnc2)nn1)Nc1ccn(CC(=O)N2CCOCC2)n1 806286721 JOQWGEXAWQBQGU-UHFFFAOYSA-N 412.414 -0.134 50 20 HBGD C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1784505351 OLGCCMSVSIQINE-QAETUUGQSA-N 410.515 -0.070 50 20 HBGD Cc1cc[nH]c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984661 WCSHOIOXLJRBGX-SZMVWBNQSA-N 411.267 -0.090 50 20 HBGD CN[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]2C1)C(=O)O 1789923031 WLUPVBLMBQWPKF-XGZQDADWSA-N 424.267 -0.281 50 20 HBGD CCS(=O)(=O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](Cl)COC)[C@H]2C1 1791249618 NDYAKZNQYGLGET-XUXIUFHCSA-N 410.920 -0.345 50 20 HBGD O=C(NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl)c1cccs1 1792975653 SXRSNTOWVSNRDC-NWJSVONSSA-N 415.899 -0.333 50 20 HBGD CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1793384128 PPMGKUYHFYTXPR-VZAMPYOESA-N 421.523 -0.157 50 20 HBGD O=C(CNC(=O)c1cccnc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1793956386 SEUCXJCGAYFVOE-HLPPOEQASA-N 410.858 -0.999 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)CCC(N)=O)[C@@H]1c1cccnc1 1812633972 MUKWLGMWQJJVOV-YWZLYKJASA-N 418.498 -0.274 50 20 HBGD Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)no1 1830739157 ZXTDWBWDGDMIBH-YOEHRIQHSA-N 401.847 -0.418 50 20 HBGD Cn1c(=O)c2c(ncn2CCC(=O)NNC(=O)c2c[nH]c3ccccc23)n(C)c1=O 17524238 KKUWBFILFPFANX-UHFFFAOYSA-N 409.406 -0.234 50 20 HBGD O=C(COC(=O)Cn1cc([N+](=O)[O-])cn1)NNC(=O)[C@@H]1COc2ccccc2O1 728323969 UOVTXCIOHYUNMI-ZDUSSCGKSA-N 405.323 -0.678 50 20 HBGD CN1CCN(Cc2cccc(C(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)c2)CC1 746163538 ONPOHCIBOJCEGC-INIZCTEOSA-N 409.512 -0.435 50 20 HBGD O=C(CNC(=O)c1cccs1)NNC(=O)NNC(=O)Cc1cn2ccccc2n1 747501940 FQYWKDTUJRQNFM-UHFFFAOYSA-N 415.435 -0.270 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3ccc4nnnn4c3)cc2)CC1 748620649 STSCHSJRSPSCOX-UHFFFAOYSA-N 416.467 -0.183 50 20 HBGD COc1ccc(F)cc1NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 757853087 CAUXKXYAVKKGQQ-UHFFFAOYSA-N 419.373 -0.566 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cc(Cl)c(F)c(C(=O)O)c1 767738622 PBFABUPGAPEPOM-YFKPBYRVSA-N 417.824 -0.576 50 20 HBGD CNC(=O)COc1cccc(CC(=O)NNC(=O)CNC(=O)c2cccs2)c1 772102618 SBXYEORXJNWGNB-UHFFFAOYSA-N 404.448 -0.007 50 20 HBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 778440470 HFAMBSVZZDGSEX-CYBMUJFWSA-N 404.427 -0.221 50 20 HBGD COc1ccc(NNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)nc1 781526334 HEHXXRSOOJSYSQ-UHFFFAOYSA-N 405.436 -0.032 50 20 HBGD COC(=O)COc1ccc(C=NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 788714898 QOZNDZAPPGOTQO-LLVKDONJSA-N 414.396 -0.033 50 20 HBGD CN(C)N(C(=O)CNS(=O)(=O)c1ccc2c(c1)COC2)[C@H]1CCS(=O)(=O)C1 792848227 DLIHDMOLUHSPMS-AWEZNQCLSA-N 417.509 -0.513 50 20 HBGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NCC2(S(C)(=O)=O)CC2)nc1 793266621 QNOPVVRJBCAZCV-UHFFFAOYSA-N 405.502 -0.028 50 20 HBGD Cc1cccc(C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3cc[nH]n3)CC2)c1 809987953 RVKMABJXRNBBES-UHFFFAOYSA-N 406.468 -0.514 50 20 HBGD O=C(CNc1ccccc1)NNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 823327305 DAFPPJBVIFXMIN-CYBMUJFWSA-N 407.452 -0.589 50 20 HBGD C[C@@H](C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1)S(=O)(=O)C1CCOCC1 1116291447 PDZWFCNHPZRVOE-NSHDSACASA-N 418.493 -0.167 50 20 HBGD CC(C)[C@@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779029406 RZLDYHITKQFRKP-BEFAXECRSA-N 405.455 -0.855 50 20 HBGD CCOC(=O)C1(C(=O)N2CC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)CC1 1782923119 PIMAXRIMWBTRRT-IBGZPJMESA-N 424.498 -0.467 50 20 HBGD C/C(=C/C(=O)N1CC[C@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2)C(=O)O 1785413811 OGKGZCNPWWKJFC-ICEKFOEVSA-N 417.422 -0.841 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)[C@@H]1CC1(F)F 1788129572 OCNXEHUEDZNRDB-TUUVXOQKSA-N 408.210 -0.385 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1csc(N)n1 1795665308 ILCNCBYEAULMAE-QHBPRCKVSA-N 410.500 -0.699 50 20 HBGD O=C(O)c1cnncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796188709 KWLPLABKLZJJFG-QDMKHBRRSA-N 424.222 -0.580 50 20 HBGD CNC(=O)CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1824437488 YHDJSKOABSMZTA-GOSISDBHSA-N 415.299 -0.264 50 20 HBGD Nc1nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cs1 1830722874 IATUDYOLXGGSIT-NHYWBVRUSA-N 404.876 -0.605 50 20 HBGD Cc1nn(C)c(C)c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830726248 PVYFFEANFQOJCY-KSSFIOAISA-N 414.890 -0.293 50 20 HBGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cnnn3)C2)C1 1831646166 IGPJQDLZMOTYLW-BBRMVZONSA-N 400.867 -0.463 50 20 HBGD Cc1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)[nH]1 1831861930 MOHGWMWMVATWBW-IBGZPJMESA-N 422.486 -0.839 50 20 HBGD Cc1noc(C)c1CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1832551413 NACAAWNBTXVKOL-MAUKXSAKSA-N 415.874 -0.110 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 1839152397 YBWWTCLFOXWLHJ-OAUYIBNBSA-N 422.309 -0.042 50 20 HBGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccncc3=O)CCO2)C1 1839664542 IQYBFMLKTZBUTI-KSSFIOAISA-N 412.874 -0.283 50 20 HBGD C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839840202 AAOWQIRAVXBKJG-IIBYNOLFSA-N 416.283 -0.351 50 20 HBGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(N)=O)C2)C1 1840035080 FSZOUVWWBPBISX-IAQYHMDHSA-N 406.277 -0.508 50 20 HBGD COC(=O)[C@H]1CC[C@H](C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)C1 1841341286 REPWRHNWGBLVIE-HOTGVXAUSA-N 414.267 -0.227 50 20 HBGD CS(=O)(=O)c1cncc(C(=O)N2CCCC23CN(C(=O)[C@@H](O)CCl)C3)c1 1842188162 NDNHNYVCHBNEOS-ZDUSSCGKSA-N 401.872 -0.098 50 20 HBGD O=C(c1cn2ncccc2n1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011371 WGFCXBGUZYBYQQ-UHFFFAOYSA-N 405.223 -0.460 50 20 HBGD O=C(NCCS(=O)(=O)N1CCOCC1)NNC(=O)c1cnn(-c2ccccc2)c1 733345530 XSWTUVTXKQPODV-UHFFFAOYSA-N 422.467 -0.522 50 20 HBGD COc1cc(C(=O)NNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)cc(OC)c1OC 733884489 CVHPXEWBXZUJGF-ZDUSSCGKSA-N 408.455 -0.117 50 20 HBGD COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 734994702 UIJQEKGYMDVSAU-VXGBXAGGSA-N 418.493 -0.313 50 20 HBGD O=C(NNC(=O)[C@H](c1ccccc1F)N1CCOCC1)N[C@@H]1CCS(=O)(=O)C1 742578202 XSZIMQUYXMUNDZ-DOMZBBRYSA-N 414.459 -0.284 50 20 HBGD Cc1nc(S(=O)(=O)NCC(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)cn1C 750663443 NZVVSUMPLQKKTB-SNVBAGLBSA-N 413.431 -0.239 50 20 HBGD Cc1c(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)nnn1-c1cccc2ncccc12 758048469 SSUCHXGHTITMCD-JTQLQIEISA-N 417.451 -0.177 50 20 HBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1cccc(CN(C)C(=O)C(F)(F)F)c1 764203058 FKSOSVOAKSWSCA-UHFFFAOYSA-N 403.361 -0.145 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(C2CCCCC2)nn1C 764232369 SPJNDWLSSDNIKQ-SNVBAGLBSA-N 414.488 -0.509 50 20 HBGD Cc1nc(S(=O)(=O)N2CCN([C@H](C)C(=O)NNC(=O)CC(C)C)CC2)cn1C 767096732 MVZZVFDFIHDZEA-CYBMUJFWSA-N 414.532 -0.383 50 20 HBGD C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCN(S(=O)(=O)CBr)CC1 774914894 XMSYPRSWHZCHGH-SECBINFHSA-N 406.324 -0.907 50 20 HBGD Cc1ccc(C)c(S(=O)(=O)NCC(=O)NNC(=O)CNC(=O)c2ccco2)c1 810308405 XIQDBRUIEQWPAT-UHFFFAOYSA-N 408.436 -0.248 50 20 HBGD CON(C)S(=O)(=O)c1ccc(NC(=O)NNC(=O)[C@@H]2CCc3nncn3C2)cc1 814523794 LASFSKVVXLTRJB-LLVKDONJSA-N 423.455 -0.125 50 20 HBGD Cc1c(NC(=O)C(=O)NNC(=O)CO)nnn1Cc1ccc(C(F)(F)F)cc1 815571176 XCZWPFREIXALNH-UHFFFAOYSA-N 400.317 -0.268 50 20 HBGD O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NNC(=O)[C@@H]1CCc2nncn2C1 816881965 UAOHTKXXGGIHGB-SNVBAGLBSA-N 415.366 -0.678 50 20 HBGD C[C@H]1CN(CCC(=O)NNC(=O)CNS(=O)(=O)c2cccc(F)c2)C[C@@H](C)O1 912919278 LCWLEYWNLUBJIL-BETUJISGSA-N 416.475 -0.249 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(CCN(C(=O)c3nccnc3C(N)=O)C2)C1 1779878622 ZLPNVMUBBCHMSX-GOSISDBHSA-N 421.530 -0.130 50 20 HBGD COc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)nn1C 1783934887 JOVDIPQBNGHRFM-IBGZPJMESA-N 422.486 -0.755 50 20 HBGD Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)nn1C 1793131775 NVBMRPPFTVDNJZ-YVWYUNDQSA-N 420.514 -0.766 50 20 HBGD O=C(CCBr)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCS1(=O)=O)C2 1795116601 XEXXOTBJUGZKGV-GFQSEFKGSA-N 423.329 -0.062 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2)c1cnc(O)nc1O 1796344418 PZZAVIHSGJISBF-BZBKMWRSSA-N 415.244 -0.124 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)c1cnc2snnc2c1 1798502378 GFLCAKBZFAUIQN-LFSVMHDDSA-N 411.871 -0.111 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCCC2(CCN(C(=O)[C@H]3C[C@@H](O)C3)CC2)C1 1809978751 NHEIFTXBZLFKJK-MAEOIBBWSA-N 400.284 -0.018 50 20 HBGD O=C(CN(CCO)CCO)N[C@@H]1CCc2nc(NC(=O)[C@@H](F)Cl)sc2C1 1817134886 UBWZWYUUUWDKSL-NOZJJQNGSA-N 408.883 -0.124 50 20 HBGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)C(=O)N(C)C)CC2)CC1 1834634277 HVOVRHMQGNVLRJ-HNNXBMFYSA-N 402.923 -0.100 50 20 HBGD CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1839880193 JFWWYMQKAIJYDU-GMXABZIVSA-N 424.267 -0.342 50 20 HBGD Cn1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cn1 1840462887 SBMRFSVDDCGMPY-WMLDXEAASA-N 400.863 -0.981 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)CNC(=O)N(C)C)C1 1841134020 ANSWTRRVNWBPDV-LPYMAVHISA-N 417.470 -0.405 50 20 HBGD C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnccc1C(=O)NN 1847819068 CBSSCRNVIVKRFB-UGFHNGPFSA-N 423.495 -0.819 50 20 HBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 8391945 MZWJCRVDIMRGGK-LBPRGKRZSA-N 414.459 -0.102 50 20 HBGD CC(C)NC(=O)CNC(=S)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 727270864 NNLTYBWXJFVGKM-UHFFFAOYSA-N 407.905 -0.379 50 20 HBGD C#Cc1cccc(NC(=S)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 727501093 HDAHBBQYVHPGAQ-UHFFFAOYSA-N 411.447 -0.567 50 20 HBGD Cn1c(=O)nc(O)c2cc(S(=O)(=O)NNC(=O)CCOc3ccccc3)cnc21 728506502 SXENZVFWBYZLEP-UHFFFAOYSA-N 419.419 -0.187 50 20 HBGD O=C(COc1ccc(F)cc1)NNC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 734686487 PGKPGLYXOFLTRO-MRXNPFEDSA-N 409.462 -0.059 50 20 HBGD CN(C)c1nccc(NNC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)n1 740102767 MZNGXJPVORMFIB-UHFFFAOYSA-N 409.472 -0.341 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2cnns2)cc1 760278304 BSBWUNAICIYPNM-UHFFFAOYSA-N 412.453 -0.747 50 20 HBGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)c(OC(F)F)c1 764425182 NOOPNQKFVONYTM-LLVKDONJSA-N 417.321 -0.424 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3ncccn3)CC2)cc1 766637070 WKYRDYBMBIWXKR-UHFFFAOYSA-N 418.479 -0.447 50 20 HBGD Cn1ncc2c(=O)n(CC(=O)NNC(=O)C(=O)NCc3ccc(Cl)cc3)cnc21 772192504 MOOMKEPZBDOWJY-UHFFFAOYSA-N 417.813 -0.753 50 20 HBGD COc1cc(C(=O)NNC(=O)c2cncc(NC(C)=O)c2)ccc1OCC(N)=O 773082215 UCIJSPZIKPLLOQ-UHFFFAOYSA-N 401.379 -0.013 50 20 HBGD COCCN(C)c1ccc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)cn1 790155771 RBXZQMZGASUXID-UHFFFAOYSA-N 421.483 -0.801 50 20 HBGD CCOC(=O)NNS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 790382054 JYHMNLKNSHYIGN-UHFFFAOYSA-N 407.470 -0.045 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C[C@@H](CC#N)c2ccccc2)n(C)c1=O 793676357 QXBLMTVSWIZOKT-CQSZACIVSA-N 423.433 -0.331 50 20 HBGD Cn1cnn(CCC(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)c1=O 815734635 QPPDJYFKTGEHDN-UHFFFAOYSA-N 410.456 -0.864 50 20 HBGD COc1cc(N2C[C@@H](C(=O)NNC(=O)C(=O)NC(C)C)CC2=O)cc(OC)c1OC 914442348 CFVFEGPYDILEIM-NSHDSACASA-N 422.438 -0.263 50 20 HBGD Cc1cc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)n1C1CC1 1116292471 JDWRDIAUOKGEIV-UHFFFAOYSA-N 413.438 -0.352 50 20 HBGD C[C@@H]1CS(=O)(=O)CCN1C(=O)NNC(=O)c1csc(N2CCOCC2)n1 1320935873 KAESAQVLGPEMSW-SNVBAGLBSA-N 403.486 -0.547 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)c3ccco3)[C@H]2C1 1783564675 KEQPGGDKCWJCPS-PWDMQXDWSA-N 422.482 -0.334 50 20 HBGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)NC1 1792582327 AKMNZFBVFLQVAR-MPLKPFFPSA-N 402.289 -0.114 50 20 HBGD COCCn1nccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792978287 OQPKENKDXGRHAT-AYRXBEOTSA-N 400.863 -0.668 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC[C@@H]3CCC(=O)N3C1)C2)[C@@H](O)CCl 1792978572 GHNOXNPYXIDJLZ-VJDHNPKBSA-N 413.902 -0.423 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H]1CCCCO1)C2)c1ccc(B(O)O)cc1 1795732720 CTGBYCHREKHBHY-WQDJSCAQSA-N 416.283 -0.471 50 20 HBGD O=C1Cc2cc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@H](O)CCl)C4)ccc2N1 1797329243 UJTHLNBXONUDGD-IARIHHJXSA-N 407.854 -0.016 50 20 HBGD CNC(=S)NCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CO[Si](C)(C)C)C2 1797754961 UNFSHJVOOHQGEC-YWVIFJGQSA-N 416.620 -0.089 50 20 HBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)Nc1cccnc1 1797888332 GIUYKRKTKJOXCT-NEBZKDRISA-N 410.858 -0.137 50 20 HBGD CN(C)c1ncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)o1 1830725263 MNRPQQQYJRQOPE-SJCJKPOMSA-N 416.862 -0.590 50 20 HBGD CCn1nccc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1834410858 AQRFMIIZRCNNBW-WMLDXEAASA-N 400.863 -0.427 50 20 HBGD O=C(c1cc(=O)cco1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1834601572 SPWMVADNHDTJPK-CXAGYDPISA-N 400.815 -0.691 50 20 HBGD O=C1CC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)N1 1834822244 DUKKCOHFTHHISO-MLGOLLRUSA-N 418.288 -0.494 50 20 HBGD O=C(NNC(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O)C(=O)N1CCCC1 730539537 HEPFSOXSFKTURE-ZDUSSCGKSA-N 402.407 -0.420 50 20 HBGD CC(=O)NC1(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)CCCC1 731256870 WUUDUFWKRCBGJZ-OAHLLOKOSA-N 405.407 -0.034 50 20 HBGD CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NNC(=O)c2c[nH]nc2C)c1 732082379 DVLIIQDDDGPOKW-UHFFFAOYSA-N 410.456 -0.628 50 20 HBGD NS(=O)(=O)c1ccc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)s1 745485441 NNQPPGSEYWEQPL-UHFFFAOYSA-N 417.494 -0.237 50 20 HBGD CCCn1nc(C(=O)NN=Cc2c(N)n(C)c(=O)n(C)c2=O)c2ccccc2c1=O 749813244 XTAJPJTZUSEODT-UHFFFAOYSA-N 411.422 -0.450 50 20 HBGD COc1ccc(CCC(=O)NNC(=O)NCCNS(=O)(=O)NC(C)C)cc1 759519839 UBZLJSOIGYGJJC-UHFFFAOYSA-N 401.489 -0.209 50 20 HBGD CN(C)c1cccc(C(=O)NNC(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)c1 763761037 ZCBYZMWDSMCROA-UHFFFAOYSA-N 423.426 -0.061 50 20 HBGD CC[C@@H](C)C(=O)NNC(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 764081204 HPJGUTBOWRTJID-CZUORRHYSA-N 418.450 -0.167 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(COCC2CC2)c1 764229885 DCQZLHGVHDXXPY-NSHDSACASA-N 412.468 -0.363 50 20 HBGD COC(=O)CNC(=O)NNS(=O)(=O)c1ccc(OC[C@H]2CCOC2)c(F)c1 767471660 DHLJIMLCLHROCH-JTQLQIEISA-N 405.404 -0.094 50 20 HBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1c(OC)ccc(S(N)(=O)=O)c1OC 772241696 ANPPJLSAHMSHAE-MRVPVSSYSA-N 403.413 -0.546 50 20 HBGD NC(=O)COc1ccccc1C(=O)N1CCN(S(=O)(=O)CBr)CC1 777831726 IRAFKWDMKRTYNF-UHFFFAOYSA-N 420.285 -0.009 50 20 HBGD COCCOc1ccc(F)cc1S(=O)(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 786724824 RZRBIMUZYRETEA-JTQLQIEISA-N 410.445 -0.405 50 20 HBGD CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NNC(=O)[C@H]1COc2ccccc2O1 787881781 NDGWVGQYSJPGBN-COPLHBTASA-N 408.411 -0.387 50 20 HBGD CC(C)(O)C(=O)NNC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2 787947452 OOTHBTOHUCFENO-UHFFFAOYSA-N 401.441 -0.565 50 20 HBGD CNC(=O)COc1ccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c(C)c1 797680338 HTLVXPMYLQIMNI-SNVBAGLBSA-N 401.445 -0.790 50 20 HBGD Cn1nc(C(=O)NNC(=O)c2ccc(F)c(S(N)(=O)=O)c2)c2ccccc2c1=O 916123913 PPSAJDVEKPNWAH-UHFFFAOYSA-N 419.394 -0.205 50 20 HBGD O=C(Cn1ccccc1=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 916556290 VOZTZCMKMWWZJU-UHFFFAOYSA-N 420.447 -0.670 50 20 HBGD CN(CC(=O)NNC(=O)c1cccc(Cl)c1)CC(=O)N[C@@H]1CCS(=O)(=O)C1 917106928 MKIYHGBZMUOLIU-CYBMUJFWSA-N 416.887 -0.664 50 20 HBGD Cc1cc(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)nc2c1c(=O)n(C)c(=O)n2C 1252004945 PGCVBRZPKYQUBJ-LLVKDONJSA-N 409.468 -0.953 50 20 HBGD CC(C)S(=O)(=O)c1ccc(CC(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 1320075846 HJIHSYXZTBZEOP-ZDUSSCGKSA-N 417.509 -0.071 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3ccc(O)cc3)C2)C1 1780741454 PCNUUFJQXSBEMC-NRFANRHFSA-N 410.235 -0.171 50 20 HBGD C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1)n1cnnn1 1781334429 NHPMTALYABESOW-GBIKHYSHSA-N 405.228 -0.246 50 20 HBGD Cc1ncoc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1786148976 WGVQPDILHIYHHY-XIRDDKMYSA-N 413.239 -0.430 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(N)s1 1795689340 XYOUWFFSGHAXJB-QHBPRCKVSA-N 410.500 -0.699 50 20 HBGD CC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](Cl)COC)C2)C1 1829866928 RQRSCMXDZMZKBK-MPGHIAIKSA-N 419.906 -0.389 50 20 HBGD O=C(CN1CCSCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830720005 QRAHQEGFVHBBSG-RHSMWYFYSA-N 421.947 -0.909 50 20 HBGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)CCC(N)=O)C2)C1 1831647158 RHMHOGGXLJMHJW-GLJUWKHASA-N 418.922 -0.557 50 20 HBGD N=C(N)SCC(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1834652835 JLXZYHKNFLXNER-CYBMUJFWSA-N 405.952 -0.216 50 20 HBGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCOCC3)CCO2)C1 1835398898 SIKHLJNYORGKBS-MAUKXSAKSA-N 403.907 -0.208 50 20 HBGD C[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NC=O)CCO2 1839166694 QIVBEEMGPDIDIC-ZOWXZIJZSA-N 406.277 -0.639 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1840183822 BXPWQABQRUXNMH-IBGZPJMESA-N 407.471 -0.880 50 20 HBGD O=C(NNC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)C(=O)N1CCCC1 730539464 FNRAULGLLWXTJA-INIZCTEOSA-N 422.507 -0.002 50 20 HBGD CCN=c1nc(NCC)n2c(SCC(=O)NNC(=O)Cc3cc[nH]n3)n[nH]c2n1 755267991 AVOBTLGVOPUVPK-UHFFFAOYSA-N 419.475 -0.990 50 20 HBGD Cc1cccc(O[C@@H](C)C(=O)NNC(=O)CNS(=O)(=O)c2cn(C)cn2)c1C 756036691 ITJXXWKDQGWYFK-ZDUSSCGKSA-N 409.468 -0.070 50 20 HBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 764211886 MQTBNXJKXZHLJN-STZFKDTASA-N 424.483 -0.853 50 20 HBGD CS(=O)(=O)N1CCCC[C@H]1C(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772890613 JAJDRQIOQFBEGL-ZDUSSCGKSA-N 416.887 -0.082 50 20 HBGD COCCO[C@@H](C)C(=O)NNC(=O)NC1CCN(S(=O)(=O)CC(C)C)CC1 777765608 WZORXOILTPUPJI-ZDUSSCGKSA-N 408.521 -0.182 50 20 HBGD CNS(=O)(=O)N1CCC(C(=O)NNC(=O)COc2ccccc2OC)CC1 794763263 ADAYYUZPGBBAJF-UHFFFAOYSA-N 400.457 -0.602 50 20 HBGD CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(N)c([N+](=O)[O-])c1 799111214 PFGSUXOKOACYER-UHFFFAOYSA-N 414.382 -0.536 50 20 HBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@@H]1CCCS(=O)(=O)C1 816828070 QCBKIUAVHZXIIB-LLVKDONJSA-N 402.498 -0.126 50 20 HBGD CCn1nc(C(=O)NNC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)c2ccccc2c1=O 914532399 IIXWMUCWGAZIME-GFCCVEGCSA-N 421.479 -0.704 50 20 HBGD COCCN1C(=O)/C(=C/NNC(=O)c2ccc(OC)c(OC)c2)C(=O)NC1=S 920977443 AKGPIIQQNDXKHZ-PKNBQFBNSA-N 408.436 -0.288 50 20 HBGD COc1c(F)cc(CC(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)cc1S(N)(=O)=O 1261222765 WQBKFXPOADVHKF-NSHDSACASA-N 423.488 -0.484 50 20 HBGD CCOCCCn1c(NNC(=O)CN2C(=O)CNC2=O)nc2ccccc2c1=O 1318572831 MYNGJZKPLRYBHK-UHFFFAOYSA-N 402.411 -0.182 50 20 HBGD CCc1nc(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)co1 1779702864 QONYTISNNUQCOH-FQEVSTJZSA-N 413.239 -0.326 50 20 HBGD Nc1n[nH]c(CCC(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](F)Br)C3)C2)n1 1781332094 TWOJUTPTLAIRRZ-FZMZJTMJSA-N 419.255 -0.160 50 20 HBGD CO[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1782240791 VLCOXTLEWPGELA-WIBUTAKZSA-N 404.272 -0.471 50 20 HBGD C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1)C1(O)CCC1 1783933308 UPMLLAHGRSEZIK-BEFAXECRSA-N 410.515 -0.260 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccncn3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979792 HOYCZCXWCZQGFH-ZVZYQTTQSA-N 410.239 -0.937 50 20 HBGD O=C(CNC(=O)c1ccco1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1787080947 RCMFUMPNMIXBFP-XPCVCDNBSA-N 413.858 -0.411 50 20 HBGD Cc1nccnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1789036168 PEAHEBVUOHQDFL-SZMVWBNQSA-N 424.266 -0.628 50 20 HBGD O=C(CN1CCCC1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2 1795451331 RJPQTBVLNVJQOT-DJBIQUGXSA-N 406.252 -0.111 50 20 HBGD N[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1ccccn1 1796187232 RXFGVIQULPFZKQ-ZMMAXQRCSA-N 408.267 -0.287 50 20 HBGD C=CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Br 1799350053 QNTFRESFJXYEPQ-DQYMBCKPSA-N 406.252 -0.043 50 20 HBGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)CN)C2 1800332990 KMEZTMNUSWXXRL-STNLWOQDSA-N 419.432 -0.253 50 20 HBGD CC[C@H](O)C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807359457 IXFPMXICTZMKJF-NEWSRXKRSA-N 411.267 -0.148 50 20 HBGD O=C1C[C@@H](C(=O)N2CCC3(CCCN(C(=O)c4ccc(B(O)O)cc4)C3)CC2)CN1 1809973353 ITJZWSKPTILFJD-MRXNPFEDSA-N 413.283 -0.653 50 20 HBGD Cn1ncnc1C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809974982 LXHYRDIBZBVIEF-UHFFFAOYSA-N 411.271 -0.347 50 20 HBGD NC(=O)CC[C@H](N)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](O)CCl)[nH]n1 1817245258 JFAHSLBINPKMFO-ZMLRMANQSA-N 400.867 -0.406 50 20 HBGD O=C(Cn1ccnn1)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1817651366 COJSPWGJMQFENY-MRXNPFEDSA-N 423.242 -0.313 50 20 HBGD Cn1ccc(=O)cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731706 MEFXSBBGUWEISZ-YJBOKZPZSA-N 413.858 -0.945 50 20 HBGD CC[S@](=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830732123 UXOLDVDRGPEASB-IFGOVRLMSA-N 410.920 -0.799 50 20 HBGD C[C@H](CBr)C(=O)N1CCC(N2CCC(NC(=O)C(O)O)CC2)CC1 1833219911 HXXNFUREZNSCJT-LLVKDONJSA-N 406.321 -0.100 50 20 HBGD O=C1CC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)N1 1834822246 DUKKCOHFTHHISO-WBMJQRKESA-N 418.288 -0.494 50 20 HBGD CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834824851 NRNMQBBCDCAALL-WBMJQRKESA-N 420.304 -0.248 50 20 HBGD O=C(c1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835938159 NNMGMHYQROIIQP-JOCHJYFZSA-N 424.262 -0.250 50 20 HBGD O=C1C[C@@H](C(=O)N2CCC(OC3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)CN1 1836718759 CUAHMJJNXBCJIE-DOMZBBRYSA-N 401.891 -0.279 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)COCCO)C2)C1 1839154765 XHBFDUKFPOVQIF-JKSUJKDBSA-N 413.298 -0.312 50 20 HBGD CCOC(=O)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)CC1 1839759596 BBKLNVVXAISNHG-CXAGYDPISA-N 418.874 -0.614 50 20 HBGD C/C=C(\C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1839820013 CILCIYDJVSTFNZ-VQKBOXHDSA-N 417.466 -0.279 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C=CCN3)C2)C1 1840032956 ORTMDHLLPZTVGS-HEHGZKQESA-N 402.289 -0.246 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCN3C)C2)C1 1840149908 AXMLRXWNLRVEPL-RLFYNMQTSA-N 403.907 -0.209 50 20 HBGD Cc1cnn([C@H](C)C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1 1840400695 CJGGUMKEZDYYCZ-VKJFTORMSA-N 414.890 -0.191 50 20 HBGD C[C@@](O)(C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1)C(F)(F)F 1843010731 WRNOKDHUEQJIRK-OAHLLOKOSA-N 400.162 -0.503 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)Cc2ccc3ncnn3c2)C1 1845027767 NUFHVHGUVPZQEN-UHFFFAOYSA-N 419.250 -0.531 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2cnn3c2CCC3)C1 1845625829 IFCCCCZBTVFKNG-UHFFFAOYSA-N 409.450 -0.041 50 20 HBGD Cc1ccc(C)c(S(=O)(=O)NCC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 732308271 WKGHPPCJNUUZCN-GFCCVEGCSA-N 403.482 -0.836 50 20 HBGD CNS(=O)(=O)[C@H]1CCCN(C(=O)NNC(=O)CNC(=O)c2cccs2)C1 733341756 GDLKDSKDRDRGOU-JTQLQIEISA-N 403.486 -0.768 50 20 HBGD CN(CCCC(=O)NNC(=O)N1CCOCC1)C1=NS(=O)(=O)c2ccccc21 742058286 WHZFGIKKYVKJDM-UHFFFAOYSA-N 409.468 -0.080 50 20 HBGD COc1ccc(NCC(=O)NNC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 743297533 OFFILMJEOZJXAW-KFZJALRRSA-N 402.407 -0.583 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C2(C(=O)NC3CC3)CC2)cc1 749719659 QDPOGVZZSRVQGC-UHFFFAOYSA-N 408.480 -0.178 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H](c1ccccc1F)N1CCOCC1 758039123 HPSZQCZTDHSVNB-BXUZGUMPSA-N 402.448 -0.716 50 20 HBGD CCOc1cc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)ccc1OCC(=O)OC 758043397 HIYWMCXDSWIAAO-JTQLQIEISA-N 417.440 -0.664 50 20 HBGD CC(C)Oc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1C#N 764225570 AHUZRXXESNEONV-SNVBAGLBSA-N 411.440 -0.631 50 20 HBGD COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NNC(=O)C(=O)N2CCCC2)C1=O 771254853 JEFSFIJQOYCKTJ-IBGZPJMESA-N 417.422 -0.768 50 20 HBGD CN1CCN(C(=O)NNC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)CC1 788169583 RHTBTKLGIVWZFL-SFHVURJKSA-N 406.418 -0.419 50 20 HBGD COc1ccc(OC)c(C2=NO[C@@H](C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)C2)c1 792641001 GVYKXFITDHRBOD-LKFCYVNXSA-N 414.440 -0.718 50 20 HBGD Cc1ccc(OCC(=O)NNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1 914830271 JZVMAJMZVNWAKT-UONOGXRCSA-N 409.464 -0.443 50 20 HBGD COCCCNC(=O)NNS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 920832829 DPMCASVRCMEDNX-UHFFFAOYSA-N 406.486 -0.344 50 20 HBGD CN1CCN(CCCCNC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)CC1 1339312143 NQMPFZSIOZZVGP-UHFFFAOYSA-N 415.498 -0.095 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)C3=COCCC3)C2)C1 1784003185 FLSRJKLTJXMOQT-FQEVSTJZSA-N 415.450 -0.177 50 20 HBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccon3)C[C@@H]21 1788610829 XEZXYKKTKNYLPH-PJODQICGSA-N 414.422 -0.420 50 20 HBGD C[Si](C)(C)OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)C=CC3=O)[C@H]2C1 1791395167 GHWMWHMJRBIRQF-KKUMJFAQSA-N 423.542 -0.257 50 20 HBGD C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21)n1cnnn1 1791684399 RJCYJIRAJAUPQW-CYDGBPFRSA-N 415.292 -0.001 50 20 HBGD CC(C)O[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795740302 PUFNUWBXDJNGPD-NYCLONFESA-N 404.272 -0.617 50 20 HBGD CC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCN(C(C)=O)CC1 1797306525 WLQGEBOHEWQPGL-KYHPRHEASA-N 414.934 -0.243 50 20 HBGD C[Si](C)(C)OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(O)nc1O)C2 1797956007 VFZMQILSTFOJPA-GNXNZQSNSA-N 410.503 -0.058 50 20 HBGD C[Si](C)(C)OCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN(CCO)CCO)C2 1798630708 SRZZGARLSOAEDZ-MUJYYYPQSA-N 401.580 -0.237 50 20 HBGD Cc1cccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)n1 1830911926 AQMNITGUVTZNJQ-APWZRJJASA-N 411.886 -0.011 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCOC3=O)CCO2)C1 1831023404 KSYDCRFXTASZTL-GUYCJALGSA-N 419.862 -0.851 50 20 HBGD CC[C@H](C)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1831050590 IDQCQXUPFHEPBF-KKSFZXQISA-N 418.299 -0.127 50 20 HBGD Cn1c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cccc1=O 1833869594 OWESHSKUYUKAHB-KBXCAEBGSA-N 413.858 -0.945 50 20 HBGD CC(C)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835929541 VCJKRKRHIREMND-HXUWFJFHSA-N 404.272 -0.518 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=N)N)C2)C1 1839151686 ARGMRYRTHUFQNF-HUUCEWRRSA-N 410.302 -0.838 50 20 HBGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1 1840033685 MUSAGHCRUWGABS-MEBBXXQBSA-N 417.260 -0.898 50 20 HBGD COC(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840037181 WBZFAWZUKMHUSD-ABAIWWIYSA-N 422.276 -0.418 50 20 HBGD O=C([C@H](O)CCl)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CCO2 1840047851 JCBDWQQKGCUKMF-ZURLZEQWSA-N 402.875 -0.390 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCN3C)C2)C1 1840149910 AXMLRXWNLRVEPL-VKJFTORMSA-N 403.907 -0.209 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2cc3cn[nH]c3cn2)C1 1844153851 LSVFINUJPAZUOO-UHFFFAOYSA-N 405.223 -0.232 50 20 HBGD CCCn1nc(C(=O)NNC(=O)CCn2cc[nH]c(=O)c2=O)c2ccccc2c1=O 726864962 MZOJNLVPIVCFDU-UHFFFAOYSA-N 412.406 -0.492 50 20 HBGD CCC(=O)NNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 732196059 XPJUQGGZQCFKQD-GFCCVEGCSA-N 413.456 -0.153 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2CCCN2S(C)(=O)=O)c1 732959957 SQKJFSCLUYLGJX-CYBMUJFWSA-N 418.497 -0.878 50 20 HBGD COc1ccc(C(=O)NNC(=O)CN2C(=O)C(=O)N(C)C2=O)cc1Br 733108552 MTOZOSPCYQNSRM-UHFFFAOYSA-N 413.184 -0.361 50 20 HBGD CCc1sc(C(=O)NNC(=O)COC(=O)CN2C(=O)C(=O)N(C)C2=O)cc1C 736823997 AVAIEDJQLJGVKR-UHFFFAOYSA-N 410.408 -0.656 50 20 HBGD COc1ccc(CCN2C[C@@H](C(=O)NNC(=O)C(=O)NC(C)C)CC2=O)cc1OC 744446521 BUFNSYTWQRBJRF-AWEZNQCLSA-N 420.466 -0.233 50 20 HBGD C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)Cc1ccc(F)cc1 762965078 ULOSKKJTKCAJIE-LLVKDONJSA-N 422.438 -0.019 50 20 HBGD CN1C(=O)c2ccc(NC(=O)C(=O)NNC(=O)COc3ccc(C#N)cc3)cc2C1=O 763680138 CQRGCBMQMSGRDE-UHFFFAOYSA-N 421.369 -0.051 50 20 HBGD Cc1nccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)n1 917391722 GSEHVAOVZQOJSD-UHFFFAOYSA-N 405.436 -0.119 50 20 HBGD C[C@H](CBr)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](N)CN)C1 1777999572 UWSONXNBIAGPFE-OQMKEHIESA-N 405.337 -0.183 50 20 HBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)Cn2ccnn2)[nH]n1)c1cccc(B(O)O)c1 1817474271 BUBNPEWSTWWSIL-MRXNPFEDSA-N 423.242 -0.313 50 20 HBGD CC[C@H](O)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834797767 DBAOYYFGQFXGLQ-IBGZPJMESA-N 417.315 -0.678 50 20 HBGD O=C(c1cnc(O)[nH]1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839200433 KOGOHUQVEKXQBU-YGRLFVJLSA-N 421.223 -0.124 50 20 HBGD Cc1cnn([C@H](C)C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1 1840400691 CJGGUMKEZDYYCZ-RKVPGOIHSA-N 414.890 -0.191 50 20 HBGD O=C(COC(=O)C(F)(F)F)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014215 KXEMPOVSPYNNSC-UHFFFAOYSA-N 414.145 -0.711 50 20 HBGD COc1cccc(NCC(=O)NNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c1 728206062 SQGUWSLAALUJCN-GXTWGEPZSA-N 424.479 -0.710 50 20 HBGD COC[C@@H](C)CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 737064389 FUXPIPJSQDJMPH-ZDUSSCGKSA-N 400.505 -0.074 50 20 HBGD O=C(NNC(=O)[C@@H](c1ccccc1F)N1CCOCC1)N[C@H]1CCS(=O)(=O)C1 742578206 XSZIMQUYXMUNDZ-SWLSCSKDSA-N 414.459 -0.284 50 20 HBGD CC(C)NS(=O)(=O)c1c[nH]c(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 746015212 OVFLXJJIAOQLGM-UHFFFAOYSA-N 418.439 -0.248 50 20 HBGD Cc1c(/C=C(\C#N)C(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)cc(C#N)n1C 753677325 KPGMMUMQAXYCOY-VGOFMYFVSA-N 414.451 -0.237 50 20 HBGD NC(=O)c1ccc(NNC(=O)CN2CCN(C(=O)OCc3ccccc3)CC2)nn1 757392211 LADOAHYUYLOIKK-UHFFFAOYSA-N 413.438 -0.027 50 20 HBGD CCC(=O)Nc1ccc(C)c(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 764231312 OHZICQHGWWFGAW-SNVBAGLBSA-N 413.456 -0.633 50 20 HBGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)CN3CCN(C)CC3)CC2)cc1 766641063 IUABHJVDOASKBO-UHFFFAOYSA-N 402.543 -0.493 50 20 HBGD CN(C)CC(=O)NNC(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1 775762475 RQURSJYIURUUTO-UHFFFAOYSA-N 405.415 -0.719 50 20 HBGD CCN(CC)Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1 787888931 GHEWWHYTLNHERC-LBPRGKRZSA-N 413.500 -0.448 50 20 HBGD C[C@H](NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)c1ncnn1C 788891839 WTDJMNFSKWSYOB-LBPRGKRZSA-N 423.503 -0.467 50 20 HBGD Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)C(=O)NNC(=O)[C@@H]1COCCO1 789739726 PZJPRGHUQOZXLH-ZDUSSCGKSA-N 409.349 -0.133 50 20 HBGD CC(C)(C)OC(=O)N1CCOc2ccc(NC(=O)C(=O)NNC(=O)CO)cc2C1 812979976 IVYMMLDUABYHAG-UHFFFAOYSA-N 408.411 -0.106 50 20 HBGD O=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)NNC(=O)c1cccnc1 913109470 BJMWEINHHNKFJR-UHFFFAOYSA-N 406.420 -0.018 50 20 HBGD Cn1c(CC(=O)NNC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)nc2ccccc21 920239192 WCKFTBZSEORKFA-GFCCVEGCSA-N 408.484 -0.130 50 20 HBGD Cn1cc(N2CC[C@H](NC(=O)NNC(=O)c3nn(C)c(=O)c4ccccc34)C2)cn1 1116090328 ONKGIIZVBHZJJN-LBPRGKRZSA-N 410.438 -0.110 50 20 HBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1cn(CC2(C)COC2)nn1 1320153826 LCBNMJWDUSKKQP-UHFFFAOYSA-N 421.483 -0.009 50 20 HBGD COc1ccc([C@@H](O)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)cc1 1792975749 WWDMNEGFUSLHBT-IMPMIVQMSA-N 412.870 -0.082 50 20 HBGD COC[C@@H](NC(C)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCC(=O)NN(C)C 1802337694 PZQMIIHGEXKBOB-QKPAOTATSA-N 411.503 -0.851 50 20 HBGD CC(=O)NCC(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1812617484 OFJIQPZWSGYKGA-YLJYHZDGSA-N 424.266 -0.783 50 20 HBGD O=C(c1cnc2[nH]ncc2c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830732410 XJSRKAZUWCHGQZ-KDOFPFPSSA-N 423.857 -0.372 50 20 HBGD O=C(c1ccc(CO)o1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830732502 ZFJGYXMQFQSAFT-SUMWQHHRSA-N 402.831 -0.558 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)CC(N)=O)CCO2 1831616014 PKWAISFBESFCHB-IGCXYCKISA-N 405.879 -0.792 50 20 HBGD O=C(O)C#CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1831670380 USUASLSXUUXJLY-GOSISDBHSA-N 412.251 -0.312 50 20 HBGD CC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1834901823 QKTIGFFGICSIGE-HXUWFJFHSA-N 419.482 -0.199 50 20 HBGD C[C@H](NC=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1839154167 FDBPYZAVOUUJKE-MAZHCROVSA-N 410.298 -0.186 50 20 HBGD O=C(Cn1nccn1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1839237418 HWFSMZMVRBNMMH-TZMCWYRMSA-N 420.239 -0.575 50 20 HBGD CC(C)(NCCC#N)C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1842920471 PGRTWQWIZKTTHX-UHFFFAOYSA-N 413.482 -0.216 50 20 HBGD CN(C)S(=O)(=O)c1c[nH]c(C(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)c1 744719055 KHTLQYJWBDNAKP-UHFFFAOYSA-N 419.419 -0.245 50 20 HBGD O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)c1cccs1 745478693 NBXBFPYOVGROPO-NTKGCBCNSA-N 407.404 -0.785 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 746272338 RTMHMOBWPJBTKW-SNVBAGLBSA-N 407.493 -0.346 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNc3nccn(C)c3=O)CC2)cc1 747938068 PAXAEXLWZVRGHV-UHFFFAOYSA-N 420.495 -0.462 50 20 HBGD CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)NNC(=O)CNC(=O)c2cccs2)C1=O 752011056 XOVPXDSRBIWYKL-BTDLBPIBSA-N 422.467 -0.471 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCCN1c1ncnc2sccc12 758037019 XQZMXMHHNMZULN-ONGXEEELSA-N 412.497 -0.255 50 20 HBGD CCCS(=O)(=O)Nc1ccc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1 758041094 WQJDSLWXICYPFF-JTQLQIEISA-N 406.486 -0.463 50 20 HBGD CCn1c(NNC(=O)CN2CCN(S(C)(=O)=O)CC2)nc2ccccc2c1=O 759621491 LCMVEWMQBLJKSO-UHFFFAOYSA-N 408.484 -0.563 50 20 HBGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)cc1 763822010 UMEZACHCBUYOBD-UHFFFAOYSA-N 406.420 -0.042 50 20 HBGD NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)NNC(=O)Cc2ccc(F)cc2)c1 763919455 UGMHVTUGISHDIR-UHFFFAOYSA-N 412.374 -0.059 50 20 HBGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 765319576 GRSLIVDXXYWKDO-YIKOMLBNSA-N 424.454 -0.399 50 20 HBGD CCN1C[C@H](C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)CC1=O 766642858 NOSXZTUYECDFBR-MRXNPFEDSA-N 401.467 -0.540 50 20 HBGD CC(C)Oc1ccccc1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 766643927 MHLRIBFYIFDHJC-UHFFFAOYSA-N 414.422 -0.318 50 20 HBGD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)N=c1cc[nH]cc1 802030553 IYXPCVYAIHPLCX-UHFFFAOYSA-N 408.440 -0.671 50 20 HBGD COCC1(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)CCOCC1 811432113 JWMGFEYJESMYQP-OAHLLOKOSA-N 408.407 -0.040 50 20 HBGD Cc1nn(C)c(=O)c(C(=O)OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c1C 878584616 WKJYRBBPRDAZJT-UHFFFAOYSA-N 403.351 -0.077 50 20 HBGD CCOC1CC(CNC(=O)NN[C@]2(C)CCS(=O)(=O)C2)(N2CCOCC2)C1 1320869994 VTVOUXZIKZUPDJ-ARWYELJZSA-N 404.533 -0.363 50 20 HBGD Cc1nc(C)c(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)o1 1779587468 VHLISEOYPUHLBE-HXUWFJFHSA-N 413.239 -0.271 50 20 HBGD CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1781855280 YQMAMSMGUASTOG-QFSBIZTOSA-N 421.878 -0.741 50 20 HBGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)CN(CCO)CCO)C2)C1 1783257113 VQQNSUSCFXLHFI-YJBOKZPZSA-N 405.923 -0.490 50 20 HBGD CN1CCC[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1784827395 IAUWGRSMRTZPMT-WNHJNPCNSA-N 415.299 -0.946 50 20 HBGD CCOC(=O)C1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)CCl)C[C@@H]32)CC1 1790717692 KFNSPEJYBBDOMG-FQUUOJAGSA-N 402.875 -0.091 50 20 HBGD N[C@@H](Cc1cccnc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796191075 WGFJGQSJPYZBCG-YRPNKDGESA-N 422.294 -0.417 50 20 HBGD CCN(C)[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797753724 DPSAHGRUPZMXSF-VWPFQQQWSA-N 418.498 -0.772 50 20 HBGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCOC1=O)C2 1800754227 JTQFDPOPFPRIOI-HNCHTBHHSA-N 404.261 -0.188 50 20 HBGD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)nn1C 1801009629 UURCFLHMDMRCAW-ZSBFGKGUSA-N 406.487 -0.695 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@]1(F)Cl 1801094816 QJOCYHQVPSUQFQ-FRJNNAICSA-N 404.870 -0.127 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCSC(=N)N)CCO2)C1 1835656283 IJTNNYCKAOHPRM-BLLLJJGKSA-N 422.935 -0.287 50 20 HBGD COC(=O)[C@H]1CC[C@H](C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)C1 1843012894 QRSIRCPIAWQIQQ-HOTGVXAUSA-N 414.267 -0.227 50 20 HBGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)[C@H]1Nc2ccccc2S(=O)(=O)N1 727752958 NRYRMPHMGMYVBS-HIFRSBDPSA-N 404.404 -0.296 50 20 HBGD Cn1cc(C(=O)NNC(=O)CNS(=O)(=O)c2ccc(Br)s2)cn1 735473141 OAEUYZAVXJKFLI-UHFFFAOYSA-N 422.286 -0.016 50 20 HBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c1c(C)nn(C)c1C 742081643 HMDORRPWTRSIJX-SNVBAGLBSA-N 416.504 -0.844 50 20 HBGD C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NNC(=O)CNC(=O)c1ccco1 756932144 WQAVVCYQYDACOQ-LBPRGKRZSA-N 412.410 -0.377 50 20 HBGD COc1ccc(NNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)nc1 781537235 IWTZVGAIFKTJPK-UHFFFAOYSA-N 405.436 -0.032 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)COC1(C)CN(C(=O)OC(C)(C)C)C1 783891447 YURMUDZYGNFOBB-SNVBAGLBSA-N 408.477 -0.903 50 20 HBGD O=C1COC[C@H](C[C@H]2CN(C(=O)C(=O)NNC(=O)[C@H]3CCCO3)c3ccccc32)N1 815780506 ZOOGABASRWIMBM-HEHGZKQESA-N 416.434 -0.652 50 20 HBGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)CCn3ncn(C)c3=O)CC2)cc1 815827014 IVDBVSSYBHGURT-UHFFFAOYSA-N 415.498 -0.754 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CC[C@]2(CN(C(=O)[C@H](O)N3CCOCC3)CCO2)C1 1781230514 UNJYXEAVFZCZRU-JQFCIGGWSA-N 424.325 -0.297 50 20 HBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)[C@@H]1CCOC1 1782690484 JSGKEGMZACVBBK-HGHGUNKESA-N 416.283 -0.470 50 20 HBGD O=C(CN1C(=O)C=CC1=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1784119339 WZHVFHPHSZZINN-HIFRSBDPSA-N 418.219 -0.568 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)c1cnc(OCF)cn1 1785686960 RQCMNIQYLDCQQB-IMIFBBOLSA-N 416.837 -0.025 50 20 HBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCC(=O)NC1 1792664027 VWOVYXQTFXHZOH-YIYPIFLZSA-N 414.466 -0.537 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccsc1)C2)c1cccc(B(O)O)c1 1795739135 XKEJBTPRQXUEJT-HGKCTWBKSA-N 414.292 -0.126 50 20 HBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccccn1)C2 1797749752 NSRHQEFSRRSPDC-FVCICTRLSA-N 410.434 -0.403 50 20 HBGD CO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1801040026 ZQISXNFTNRZZQM-TZPANZPKSA-N 405.455 -0.255 50 20 HBGD C[C@@]1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)CC1(F)F 1802000928 ZUZAMGVEZGMOOU-HRJSJKBJSA-N 408.210 -0.385 50 20 HBGD CN1CCC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)CC1 1830719674 HBPZPWVPMKCOEP-QAPCUYQASA-N 403.907 -0.616 50 20 HBGD O=C(Cc1cscn1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830724832 ZBINOUIBEZYTQT-BBRMVZONSA-N 403.888 -0.258 50 20 HBGD Cc1ccn(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)n1 1830726180 OXIJJTWNSGPEBW-WMLDXEAASA-N 400.863 -0.752 50 20 HBGD COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cn1 1831943434 OLNXJPRHGZKNPZ-KDOFPFPSSA-N 413.858 -0.240 50 20 HBGD CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1834882312 KRGMTGWPBSRJKT-IBGZPJMESA-N 405.455 -0.445 50 20 HBGD CC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)Br)CCO2)C1 1840035652 YXCNAJFNGXIGIK-HWWQOWPSSA-N 420.304 -0.249 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCn3ccnn3)C2)C1 1840155830 DHIPVFCGYSUOJU-PBHICJAKSA-N 415.878 -0.622 50 20 HBGD O=C(c1cccn2c(O)nnc12)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013866 WVSGKMLTJFRHKC-UHFFFAOYSA-N 421.222 -0.755 50 20 HBGD Cc1noc(C)c1S(=O)(=O)NCC(=O)OCC(=O)NNC(=O)c1ccccc1 19610508 HPPZXGSTDOEUIH-UHFFFAOYSA-N 410.408 -0.426 50 20 HBGD CC(C)NC(=O)C(=O)N1CCN(C(=O)NNC(=O)CCOc2ccccc2)CC1 60997356 FLRVERTYDXGUAZ-UHFFFAOYSA-N 405.455 -0.135 50 20 HBGD COc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)c2cnn(C)c2)cc1OC 735470561 CGDKEYDMUCVEEZ-UHFFFAOYSA-N 411.440 -0.433 50 20 HBGD Cn1cc(N2CC[C@@H](NC(=O)NNC(=O)c3ccc4c(c3)OCCO4)C2=O)cn1 735583851 IJJKHZSEURFOED-CYBMUJFWSA-N 400.395 -0.059 50 20 HBGD COC(=O)c1ccc(OC)c(S(=O)(=O)NNC(=O)CNC(=O)c2ccco2)c1 747612712 TXPRJGJJMFXXKA-UHFFFAOYSA-N 411.392 -0.186 50 20 HBGD CC(C)Cc1nnc(NC(=O)CCC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)s1 758030126 ONFBRCMEEMWFHF-VIFPVBQESA-N 420.517 -0.460 50 20 HBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)N[C@@H](C)[C@@H]1CN(C)CCO1 769953970 MOJOPZOEVJLKRS-AAEUAGOBSA-N 412.516 -0.049 50 20 HBGD CCN1CCN(c2cccc(NC(=O)C(=O)NNC(=O)[C@@H]3COCCO3)c2)CC1 770782215 QHSLSHUHXMDPNN-INIZCTEOSA-N 405.455 -0.670 50 20 HBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 772162574 VCJMWBYXCCTVEU-QWRGUYRKSA-N 410.452 -0.007 50 20 HBGD COc1ccc(C(=O)NNC(=O)COC(=O)[C@@H]2CCCCS2(=O)=O)cc1OC 772407096 NMNJCBNTGBCPJA-AWEZNQCLSA-N 414.436 -0.025 50 20 HBGD CS(=O)(=O)c1cccc(NNC(=O)NCCS(=O)(=O)N2CCOCC2)c1 776619313 VHFFOLAYJVEUFE-UHFFFAOYSA-N 406.486 -0.622 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 788300728 AYFCSEISYBDESR-SSDOTTSWSA-N 412.877 -0.166 50 20 HBGD C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN(S(=O)(=O)CBr)CC1 800931547 SUPZHTIVLOVJER-JTQLQIEISA-N 403.324 -0.235 50 20 HBGD CC(=O)NNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c1ccccc1 1347769965 SJKVQGKQVDQXSR-BMGYJQCNSA-N 403.482 -0.453 50 20 HBGD C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779029432 RZLMJBSRGDDRLH-VLIAUNLRSA-N 415.450 -0.833 50 20 HBGD O=C(c1nc2ccc(F)cn2n1)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1782566331 XRWHIOXXMOZOMI-YVEFUNNKSA-N 411.821 -0.088 50 20 HBGD CC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCS(=O)(=O)CC1 1793837867 KNKLAAUJOALWML-HLPPOEQASA-N 421.947 -0.676 50 20 HBGD O=C(/C=C/c1ccoc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1793922601 HTFMIZBOWVHQKG-PIHZNMFFSA-N 410.235 -0.124 50 20 HBGD O=C(CCc1ccc(O)nn1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796190407 VESZLIUVYYDCCP-BCDXTJNWSA-N 424.266 -0.253 50 20 HBGD O=C(Nc1cccnc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1798565153 IMVZNDIBHFNVLS-BCDXTJNWSA-N 422.250 -0.348 50 20 HBGD Cn1cc(F)cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830727669 AQZKDNAXIJNANR-YOEHRIQHSA-N 403.838 -0.166 50 20 HBGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)Cn1ccnn1)CCO2 1836206731 DKVNBKAGQADXQM-HNNXBMFYSA-N 416.276 -0.481 50 20 HBGD O=C(CN1C(=O)C=CC1=O)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840190569 BCSOOCSSBJVQTI-MRXNPFEDSA-N 420.249 -0.829 50 20 HBGD COCCNC(=O)Cn1cc(NC(=O)NNC(=O)COc2ccccc2O)cn1 747569219 ADLFTFLFLXMTSF-UHFFFAOYSA-N 406.399 -0.417 50 20 HBGD CN1C(=O)C(=O)N(CC(=O)NNc2ccc(S(=O)(=O)C(F)(F)F)cc2)C1=O 748519237 XSXMBFNPGKFMMA-UHFFFAOYSA-N 408.314 -0.156 50 20 HBGD COCCOCC(=O)NC1CCC(C(=O)NNC(=O)Cn2nc(C)cc2C)CC1 748700573 QBAJLYBYAIHDJC-UHFFFAOYSA-N 409.487 -0.015 50 20 HBGD COc1cccc(OC)c1C=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 755791756 ULFOXESCKJAFAC-UHFFFAOYSA-N 400.395 -0.399 50 20 HBGD CCOc1cccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 756088604 PYUWOIKPJWDVDA-UHFFFAOYSA-N 415.410 -0.315 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cccc(OCCS(C)(=O)=O)c1 756297542 KYLSFOZQUZMHHJ-SNVBAGLBSA-N 422.485 -0.800 50 20 HBGD Nc1nsc(N2CCN(CC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)CC2)n1 759354033 LPLCCOLOXCITTJ-UHFFFAOYSA-N 406.428 -0.388 50 20 HBGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 763660910 KKZUKQKJXHUQAE-UHFFFAOYSA-N 422.419 -0.493 50 20 HBGD COC(=O)c1cc(C(=O)NNC(=O)CNC(=O)c2cccnc2)cc([N+](=O)[O-])c1 763818230 DBGMFMZDCOVVBY-UHFFFAOYSA-N 401.335 -0.033 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(N2CCCCC2)cc1 764230710 KCLNGRWGHNDZJJ-GFCCVEGCSA-N 411.484 -0.300 50 20 HBGD CN1CC[C@@H](C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)CC1=O 765738847 PEQIEECSHUOBBM-MRXNPFEDSA-N 401.467 -0.540 50 20 HBGD CC(C)[C@H](C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12)N1CCCS1(=O)=O 772630151 KPEHDCHMNDKEFR-OAHLLOKOSA-N 421.479 -0.245 50 20 HBGD O=C(Cn1nc2ccccn2c1=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772885083 UZEDACVSXATUEV-UHFFFAOYSA-N 402.798 -0.387 50 20 HBGD COc1ccc(C(=O)NNC(=O)CN2CCN(S(C)(=O)=O)[C@@H](C)C2)cc1OC 776607247 QRYOBMYXBYLUTE-LBPRGKRZSA-N 414.484 -0.570 50 20 HBGD Cc1cccn(Cc2c(F)cccc2NC(=O)C(=O)NNC(=O)CN(C)C)c1=O 806978407 ZUBHVTAQBVTYAC-UHFFFAOYSA-N 403.414 -0.008 50 20 HBGD CN(C)S(=O)(=O)CCCS(=O)(=O)NNC(=O)Cn1ccc2ccccc21 811682985 LPBFSRAUISVXPL-UHFFFAOYSA-N 402.498 -0.127 50 20 HBGD CN(C)CCC(=O)NNC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 916124462 UWCVABYNUDDYIT-UHFFFAOYSA-N 415.541 -0.023 50 20 HBGD O=C(Cn1cnc2c(oc3ccccc32)c1=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919885106 MVZLORLCDCUACU-JTQLQIEISA-N 419.419 -0.340 50 20 HBGD COc1cc(C(=O)NNC(=O)NCC2CN(S(C)(=O)=O)C2)cc(OC)c1OC 1255267120 OKMNEWUAECVARK-UHFFFAOYSA-N 416.456 -0.452 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc[n+]([O-])cc1)CCO2 1783935364 NOQYHLXNPJOYPI-LJQANCHMSA-N 405.455 -0.864 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)c1ccc2ncnn2c1 1788448853 UEJVKAIZKKHTAQ-XQLPTFJDSA-N 407.858 -0.078 50 20 HBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnc1)C2 1797749695 KEOZQFKJOBODHS-XOIINTDNSA-N 410.434 -0.403 50 20 HBGD CCNC(=O)N[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1798381754 YHIPFNJISHVUTE-SJWGOKEGSA-N 416.287 -0.674 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)Cn3cnnn3)sc2C1 1815691103 GDZZUAGLDGSKCA-JTQLQIEISA-N 421.487 -0.885 50 20 HBGD CCn1nccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830724095 CVKJFNIGCUOQNE-WMLDXEAASA-N 400.863 -0.427 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cnccn3)CCO2)C1 1830970149 VHWRNSVWKWCZCF-YJBOKZPZSA-N 412.874 -0.271 50 20 HBGD CO/C=C(\C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1837267336 KMVOOAMWJCVZTK-FERCGXDMSA-N 412.487 -0.634 50 20 HBGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(O)[nH]1)CCO2 1838064776 TUYZDVLXAGRSOT-HNNXBMFYSA-N 417.260 -0.030 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)nc3O)C2)C1 1839144457 AIPRRFFLSCRYAY-SJCJKPOMSA-N 414.846 -0.025 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnnn3C)C2)C1 1840150103 GTLODERBQGVBOB-BLLLJJGKSA-N 401.851 -0.861 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnn3C)C2)C1 1840150601 OCAMBSAXYWYQJC-GUYCJALGSA-N 400.863 -0.256 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2cccn3c(O)nnc23)C1 1843317948 QTHJNASWEWUHNL-UHFFFAOYSA-N 415.454 -0.375 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1cnn3ncccc13)C2 1844264105 FRYYLAVHQRNNDE-UHFFFAOYSA-N 420.433 -0.141 50 20 HBGD COC(=O)CSCC(=O)N1CC2(CCCN2C(=O)CCC(=O)NN(C)C)C1 1846383894 GQQRADKXURNKDZ-UHFFFAOYSA-N 400.501 -0.531 50 20 HBGD Cc1cccc(NC(=O)CSCC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 729277342 ZPPHXMGCSLWUDW-LLVKDONJSA-N 402.498 -0.248 50 20 HBGD NC(=O)[C@@H]1CCCN(CCCNC(=O)NNC(=O)c2ccc3c(c2)OCCO3)C1 729503903 AKMKPJPDUAZQQW-CQSZACIVSA-N 405.455 -0.011 50 20 HBGD NS(=O)(=O)c1cnn(CC(=O)NNC(=O)c2ccc(F)cc2Br)c1 748559459 AHSACQDCOIGNBB-UHFFFAOYSA-N 420.220 -0.107 50 20 HBGD CC[C@H](C)n1ncc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1C1CC1 764234849 ZYYWAADCDRCLMF-VHSXEESVSA-N 414.488 -0.245 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2nc3c(s2)CCC3)n(C)c1=O 765312514 HNEFWZJLTQBYQI-UHFFFAOYSA-N 418.439 -0.768 50 20 HBGD CNS(=O)(=O)c1cccc(S(=O)(=O)NNC(=O)CNC(=O)OC(C)(C)C)c1 777939653 GOJLTSMOQFEYLL-UHFFFAOYSA-N 422.485 -0.571 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H](CCS(C)(=O)=O)c1ccccc1 790641952 NHALGOCVICSTQO-AAEUAGOBSA-N 405.498 -0.710 50 20 HBGD NS(=O)(=O)[C@@H]1CCCN(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1 799983856 PJLGJNQECVKFOU-CYBMUJFWSA-N 413.456 -0.594 50 20 HBGD CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NC(=O)NNC(=O)[C@H]2COCCO2)s1 805165696 RDTIUPDRPJLFRY-OPRDCNLKSA-N 400.461 -0.191 50 20 HBGD O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NNC(=O)c1cccs1 845924278 WFKLYLWAOVTIBP-NBLIUIFLSA-N 403.416 -0.141 50 20 HBGD Cn1nc(C(=O)NNC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)c2ccccc2c1=O 920238714 JKVXMBYMJCJIEP-LLVKDONJSA-N 422.467 -0.699 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCC4)C2)C1 1778666645 NWMLCSCJJSNITL-OAQYLSRUSA-N 424.266 -0.734 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)c3cccnc3)CCO2)C1 1783873818 UZORKYPBALMIRK-KXBFYZLASA-N 424.885 -0.105 50 20 HBGD CS(=O)(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1784747579 ZOMUGRWHGKCWHV-YPMHNXCESA-N 415.281 -0.059 50 20 HBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1cccnc1)C2 1800973824 HXPIYWCULHRTHI-IVSAIRAKSA-N 424.885 -0.345 50 20 HBGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)COc1ccc(O)nn1)C2 1802337837 BOMVBHKBLGXELS-BTTYYORXSA-N 420.470 -0.428 50 20 HBGD CNC(=O)CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827049316 QYIDUVIWOKASIC-SFHVURJKSA-N 415.299 -0.264 50 20 HBGD Cn1nc(C(=O)NC2CCN(C3CCN(C(=O)[C@H](O)CCl)CC3)CC2)cc1O 1833942402 FUZWTFXVQYXDFL-OAHLLOKOSA-N 413.906 -0.089 50 20 HBGD C=CC(=O)N[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1835826544 MMTQDBKLRPLAEG-CJNGLKHVSA-N 414.934 -0.152 50 20 HBGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1836139772 VKWKTSZXBZVFDV-DOMZBBRYSA-N 416.276 -0.482 50 20 HBGD O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1838825030 DTVTVLYAGPQVPJ-WBMJQRKESA-N 416.818 -0.407 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNS(=O)(=O)c2cnc(C)[nH]2)cc1 727349909 BRZVXQFXJKTWKN-UHFFFAOYSA-N 401.470 -0.343 50 20 HBGD O=C(COC(=O)CCn1ccccc1=O)NNC(=O)[C@@H]1COc2ccccc2O1 728326642 CQTNPUYHFSRPCY-HNNXBMFYSA-N 401.375 -0.231 50 20 HBGD CCCCOc1ccc(C(=O)NCC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1 729274924 HPDOKHIRRQBFIO-GFCCVEGCSA-N 414.484 -0.320 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cccc(NC(=O)CCn2ccnc2)c1 729276314 CAVJDIZLUHLIER-LBPRGKRZSA-N 422.467 -0.389 50 20 HBGD Cn1ccnc(NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1=O 747942689 ZLEDVJDVNMHZFZ-UHFFFAOYSA-N 421.479 -0.123 50 20 HBGD Cn1ccnc(NNC(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)c1=O 747943256 SIFFLCWMYQEZJT-ZDUSSCGKSA-N 407.452 -0.006 50 20 HBGD Cc1ccc(C(=O)NNC(=O)C(=O)N2CCCC2)cc1S(=O)(=O)N1CCOCC1 748245995 CADQVDMUOCOCGX-UHFFFAOYSA-N 424.479 -0.601 50 20 HBGD C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1 755680987 DXNJWJQNVLUBRO-NSHDSACASA-N 417.451 -0.062 50 20 HBGD Cc1ccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1NS(C)(=O)=O 756515059 DBVVRTMOAGIWIW-SECBINFHSA-N 407.474 -0.543 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cnco3)CC2)cc1 759608716 PSUULHLMLBMZGN-UHFFFAOYSA-N 407.452 -0.249 50 20 HBGD O=C(NNC(=O)C1CC1)C(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1 763559048 XBKVNCLMQAMCOG-UHFFFAOYSA-N 413.434 -0.004 50 20 HBGD CC[C@@H](C)Oc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1 764228564 YFZWXBXBYJAPGR-MNOVXSKESA-N 400.457 -0.113 50 20 HBGD Cc1ccc(-n2nc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc2C)cc1 764233279 UGJHMOJMWOJMGX-LBPRGKRZSA-N 422.467 -0.487 50 20 HBGD CC[C@H]1CN(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C[C@@H](C)S1(=O)=O 804869127 UEUNKRRJLWLFOE-RISCZKNCSA-N 407.456 -0.086 50 20 HBGD CNc1nc(C)cc(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)n1 806872430 JRXJPBPRERIOHY-UHFFFAOYSA-N 420.499 -0.085 50 20 HBGD O=C(CNS(=O)(=O)c1cccnc1)NNC(=O)c1cc(Br)c[nH]1 809971572 HSKRXLIEHPQAOS-UHFFFAOYSA-N 402.230 -0.088 50 20 HBGD COc1cccc(C(=O)NNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c1O 919755720 ABXAHSURQNMEPV-WDEREUQCSA-N 411.436 -0.803 50 20 HBGD CC[C@H](NC(N)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2 1777976748 CEQRPIHPFWFGSE-SFDCBXKLSA-N 404.895 -0.453 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1 1783877378 IJQUORNUFUWPJM-ZBEGNZNMSA-N 400.867 -0.597 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCCCC3=O)C[C@@H]21)[C@H](O)CCl 1784094460 OBNORUSVQNGHAB-XQLPTFJDSA-N 401.891 -0.422 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2ncnn2c1)c1ccc(B(O)O)cc1 1798233884 OLVFJGHWNJUMBE-BCDXTJNWSA-N 419.250 -0.025 50 20 HBGD CC(=O)C(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1806248290 MWXOJTXPOOTNPM-YOEHRIQHSA-N 410.434 -0.011 50 20 HBGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1C=CCN1)CC2)c1ccc(B(O)O)cc1 1815341402 YIEAOQXHSMJGGT-HIFRSBDPSA-N 412.280 -0.423 50 20 HBGD O=C([C@H](O)N1CCOCC1)N1CCC([C@@H]2CCCCN2C(=O)[C@H](O)CCl)CC1 1824185806 HMIOGHYDZFYFRJ-FCEWJHQRSA-N 417.934 -0.144 50 20 HBGD N=C(N)SCC(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833309033 JTYUDZAZWGPEEX-ZDUSSCGKSA-N 405.952 -0.216 50 20 HBGD CNC(=O)CC(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834819502 PRCGVYCAXVZKLN-OAHLLOKOSA-N 406.277 -0.636 50 20 HBGD N=C1NCCN1CC(=O)N1CCC(N2CCC(NC(=O)[C@H](F)Cl)CC2)CC1 1835080263 OIKGOWDVKQCSBG-HNNXBMFYSA-N 402.902 -0.068 50 20 HBGD C/C=C(\C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837460381 FCAYDQXOZYNRAF-VQKBOXHDSA-N 417.466 -0.279 50 20 HBGD C[C@H](NC=O)C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837714376 AVYPFGOXVFBBNB-YOEHRIQHSA-N 401.536 -0.571 50 20 HBGD Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c(O)n1 1838667570 KUBRSMHCGHIESH-KDOFPFPSSA-N 413.858 -0.235 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cncn3)C2)C1 1839152129 ORCOYOUGGNZBQP-HOTGVXAUSA-N 420.297 -0.029 50 20 HBGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(=O)NC)C2)C1 1839962543 JMNAREWVRZWXCK-MLGOLLRUSA-N 420.304 -0.248 50 20 HBGD C[C@H](CBr)C(=O)N1CCCC12CN(C(=O)C[C@H]1NC(=O)NC1=O)C2 1841285880 VEFUZRGLEWYKIL-NXEZZACHSA-N 401.261 -0.181 50 20 HBGD Cn1cc(CCC(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)cn1 1844264059 ZUDFNPMZJDTNDS-UHFFFAOYSA-N 411.466 -0.132 50 20 HBGD CCc1nc2ccccc2n1CC(=O)NNC(=O)Cn1cc(S(N)(=O)=O)cn1 726630653 PXIBRWBIIREMCN-UHFFFAOYSA-N 405.440 -0.710 50 20 HBGD CC(C)CNC(=O)N1CCC[C@@H](C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)C1 741213512 PIGJKQOFGUHFLK-OLZOCXBDSA-N 403.505 -0.419 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CCCNC(=O)OCc1ccccc1 758047729 NHISUAKGOCBSKN-GFCCVEGCSA-N 400.457 -0.222 50 20 HBGD CCn1nc(C(=O)NNC(=O)c2ccnc3c(C(N)=O)cnn23)c2ccccc2c1=O 763257702 PFZAQWXKHMXUMT-UHFFFAOYSA-N 420.389 -0.367 50 20 HBGD CS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)COCc2ccccc2)cn1 764367587 YDLSBHICBMNQMU-UHFFFAOYSA-N 406.420 -0.212 50 20 HBGD CN(CC(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1)C(=O)C1CC1 766655853 XTCRXLUTSMKDBH-UHFFFAOYSA-N 401.467 -0.540 50 20 HBGD Cc1cc(C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)nc2c1c(=O)n(C)c(=O)n2C 772140754 QOGAPAZWQHWZRH-LLVKDONJSA-N 419.438 -0.321 50 20 HBGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNC(=O)Cc2cccnc2)[C@H](C)O)cc1 779512202 OEIMLNVFMZHRRC-SUMWQHHRSA-N 406.464 -0.192 50 20 HBGD CC(C)[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1 802066845 BHWLSIQRNLBSLS-LBPRGKRZSA-N 406.486 -0.183 50 20 HBGD Cn1c(=O)nc(O)c2c(C(=O)NNC(=O)[C@H]3CCc4nncn4C3)cc(C3CC3)nc21 816875293 WEOLZWKDSPLTCS-JTQLQIEISA-N 424.421 -0.473 50 20 HBGD CCCn1nc(C(=O)NNC(=O)CN2C(=O)NC(C)(C)C2=O)c2ccccc2c1=O 884849846 QOOAZECWIGMZGW-UHFFFAOYSA-N 414.422 -0.102 50 20 HBGD Cn1c(=O)c2c(ncn2CCC(=O)NNC(=O)c2ccc(Cl)nc2)n(C)c1=O 917250729 GYRUHBYJUSVVGI-UHFFFAOYSA-N 405.802 -0.667 50 20 HBGD C[C@H](C(=O)NNC(=O)c1n[nH]c2c1CCCC2)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 1322222746 LGFWMTHBJLSUGR-ZPTNNJSTSA-N 401.423 -0.400 50 20 HBGD CC(C)O[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779032068 LFUFKYCGAXNGLN-XOBRGWDASA-N 419.482 -0.058 50 20 HBGD C[C@H](NC(=O)c1ccccn1)C(=O)N1CC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1782667260 TXNHEGTUMZPKFC-ZBQZNYHESA-N 424.885 -0.371 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCO3)C2)C1 1783484773 UYIGLYVXFUSSKP-HNAYVOBHSA-N 403.439 -0.692 50 20 HBGD CCC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@@H]21 1784616380 SFTKVQJQSSLEKY-HPCHECBXSA-N 414.890 -0.028 50 20 HBGD O=C(CCBr)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)O3)C[C@@H]21 1786404779 OOOOOSLTPZAWAD-BJDJZHNGSA-N 404.261 -0.141 50 20 HBGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)N1C)C2 1800759748 FXLMGRGLPAOPLP-VXUPGSCNSA-N 402.289 -0.020 50 20 HBGD CNC(=O)CC(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1803478017 YSFGFWVDTHDLIB-JXFKEZNVSA-N 424.266 -0.783 50 20 HBGD N=C(N)NCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827054549 GMFZDCYBIZNSBC-KRWDZBQOSA-N 415.303 -0.917 50 20 HBGD C[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CNC(=O)O1)CCO2 1831576664 VFTCDHCHTFVGID-PGUXBMHVSA-N 420.260 -0.665 50 20 HBGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]n3)C2)C1 1834822272 FDINDKGYYSELCZ-CQSZACIVSA-N 402.249 -0.340 50 20 HBGD CC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837457268 ZOIBYZUFTFEYDE-FQEVSTJZSA-N 419.482 -0.199 50 20 HBGD C[C@@H](O)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837920803 HDWMFEMWVJBEIY-CQSZACIVSA-N 404.272 -0.641 50 20 HBGD O=C(O)c1cnncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1837946594 JSOJCJNHFRVDJW-LRDDRELGSA-N 416.793 -0.221 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc(C)cn3)C2)C1 1840151433 BHEUZALIKYYWAZ-CRAIPNDOSA-N 414.890 -0.098 50 20 HBGD N[C@@H](Cc1cccnc1)C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1843386201 VJUXKDLDJLQRSX-SFHVURJKSA-N 408.267 -0.852 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)Cn1ccccc1=O)C2 1844264053 YQOPZTSCXZEFAF-UHFFFAOYSA-N 410.434 -0.636 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1 728510325 WPUVSOFLZIQFGS-SNVBAGLBSA-N 420.513 -0.082 50 20 HBGD CN(C)CC(=O)NNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 733359460 IUIIUVNCIUOYQP-UHFFFAOYSA-N 413.500 -0.904 50 20 HBGD O=C(Cn1ccc(O)nc1=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 744620600 LJMUMNQONBAJML-UHFFFAOYSA-N 409.424 -0.887 50 20 HBGD CNS(=O)(=O)C[C@@H]1CCCN1C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 750269657 XIBUDFGCAYINKI-ZDUSSCGKSA-N 408.444 -0.970 50 20 HBGD CCOc1ccccc1[C@H](CC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)NC(C)=O 758027261 VTRZIVRXPHIKAY-FZMZJTMJSA-N 414.484 -0.262 50 20 HBGD CC(=O)N[C@H](CC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1c(F)cccc1F 758031346 WAVGRUFRDSWKKI-QPUJVOFHSA-N 406.411 -0.383 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2c[nH]nc2-c2cccnc2)n(C)c1=O 764811925 DOPZLFSPXBSUFB-UHFFFAOYSA-N 407.394 -0.631 50 20 HBGD COCc1nc(C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)no1 775404218 SXGLODNZSIUFLI-UHFFFAOYSA-N 410.456 -0.091 50 20 HBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1OC 784917808 XGLZOTVTMITAPR-UHFFFAOYSA-N 413.456 -0.233 50 20 HBGD Nc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)NNC(=O)c1cccs1 800234956 GTAYOYKQBUHKNY-UHFFFAOYSA-N 412.449 -0.387 50 20 HBGD COC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1 815565912 DXHSYEMIWLRUIR-VIFPVBQESA-N 407.358 -0.101 50 20 HBGD Cn1nc(C(=O)NNC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c2ccccc2c1=O 933649914 JIIHHBXKURKVTB-KBPBESRZSA-N 411.418 -0.130 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3ccc(O)nc3)C2)C1 1780254894 ZRMUDLKICHRHRU-HXUWFJFHSA-N 411.223 -0.776 50 20 HBGD C[C@@H](C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2)N1CCN(C)CC1 1781097364 KLBKSBMPMYTVKT-MPGHIAIKSA-N 402.923 -0.948 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCCS1(=O)=O)CCO2 1783880791 GWDCWRHGFLYIDK-XEZPLFJOSA-N 408.904 -0.353 50 20 HBGD CN(C)c1ncc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)o1 1784086854 QIVZOIWBIGHRGL-CYDGBPFRSA-N 400.863 -0.066 50 20 HBGD C[C@@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1784118183 XMYBTKDCEVMAQL-BZNIZROVSA-N 414.256 -0.475 50 20 HBGD CC(C)N(C)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786982309 WWXJRVPZRUTAAO-WDSOQIARSA-N 417.315 -0.700 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1cccnc1)C2)c1ccc(B(O)O)cc1 1795732758 HAKHHQYGQGBPTO-YZGUPXOGSA-N 421.262 -0.322 50 20 HBGD CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795732772 HWPCQOWMSUOBQI-FSDCSDTHSA-N 406.313 -0.476 50 20 HBGD CN(C)C(=O)NCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798440201 QFRXPTVMNINLBB-CLLJXQQHSA-N 417.470 -0.792 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CSCC(=O)O)C2 1798443615 NXJRKVBVGMQZKO-ZSBIGDGJSA-N 421.479 -0.245 50 20 HBGD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CBr)C2)n1cnnn1 1801431744 GQOUBEWQDYHAGC-NWBUJAPZSA-N 415.292 -0.145 50 20 HBGD CN(C)C(=O)NCC(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1 1802676885 YTYMNOWRJUHBQZ-OFQRWUPVSA-N 411.890 -0.042 50 20 HBGD Cn1nncc1C(=O)N1CCCC2(CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1 1807295508 KMXXKAYROABALQ-UHFFFAOYSA-N 411.271 -0.347 50 20 HBGD CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826089724 MLEURFVTJVBUCY-CMPLNLGQSA-N 424.527 -0.047 50 20 HBGD O=C(c1n[nH]cc1[N+](=O)[O-])N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1837794628 VTFJDRKIXFHABM-SMDDNHRTSA-N 405.770 -0.078 50 20 HBGD CC(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839202940 UREUHXIMSUHQCJ-JSGCOSHPSA-N 410.240 -0.731 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnsn3)C2)C1 1840150005 CUSNIZWTZLERQJ-NHYWBVRUSA-N 404.876 -0.138 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(CO)on3)C2)C1 1840154180 OFLZHOUAMBEIPC-SUMWQHHRSA-N 417.846 -0.509 50 20 HBGD C[C@@H](CBr)C(=O)N1CCCC12CN(C(=O)C[C@H]1NC(=O)NC1=O)C2 1841285882 VEFUZRGLEWYKIL-VHSXEESVSA-N 401.261 -0.181 50 20 HBGD NC(=O)c1ccc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)nc1 728339976 HOMBIQKEWNGXQY-AWEZNQCLSA-N 400.347 -0.675 50 20 HBGD N#Cc1ccccc1OCC(=O)NNC(=O)NCCS(=O)(=O)NCC1CCC1 731761169 VPKANEBHNOXRAT-UHFFFAOYSA-N 409.468 -0.013 50 20 HBGD COc1ccc([C@]2(C)NC(=O)N(CC(=O)NNC(=O)c3c[nH]nc3C)C2=O)cc1 731852626 GCHCCYBFJQTZRR-SFHVURJKSA-N 400.395 -0.045 50 20 HBGD NC(=O)CS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1 742503245 WHTKJMPAHMSMMJ-UHFFFAOYSA-N 419.415 -0.208 50 20 HBGD C[C@]1(C2CC2)NC(=O)N(CC(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)C1=O 744497092 KJQNMYRBLKNFHR-LJQANCHMSA-N 413.390 -0.417 50 20 HBGD Cn1nc(C(=O)NNC(=O)c2ccc(S(N)(=O)=O)s2)c2ccccc2c1=O 745474231 BZADBVXJPCSQLM-UHFFFAOYSA-N 407.433 -0.283 50 20 HBGD CC[C@@H](C(=O)NNC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)c1ccccc1 746245822 AVZKQUKVHYLROV-CYBMUJFWSA-N 407.452 -0.267 50 20 HBGD C[C@@H](CN1C[C@@H](C)O[C@H](C)C1)C(=O)NNC(=S)NCCCN1CCOCC1 747726613 YHIKFTDIHXABGA-ARFHVFGLSA-N 401.577 -0.051 50 20 HBGD C[C@@H](C[S@](C)=O)NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 753357972 IVWGTESIZROZNB-QDXKXIGTSA-N 418.545 -0.589 50 20 HBGD CNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)CCc2ccco2)c2ccccc2O1 764171203 HWXUDEDRLVHIDV-HNNXBMFYSA-N 400.391 -0.100 50 20 HBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 765734713 CPKZOXRQKDJYPE-OAHLLOKOSA-N 408.480 -0.974 50 20 HBGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)CC[C@@H]3NC(=O)NC3=O)CC2)cc1 765756280 SSDAUEBKDDNDJD-INIZCTEOSA-N 416.482 -0.752 50 20 HBGD CCOC(=O)CON=C(C(=O)NNC(=O)[C@H]1Cc2ccccc2O1)c1cc[nH]n1 772158373 YKRXQSIOFWDVOQ-CQSZACIVSA-N 401.379 -0.155 50 20 HBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C 784915997 LREUMSMTOVQDME-UHFFFAOYSA-N 414.488 -0.366 50 20 HBGD CCN(C)C(=O)[C@H](C)NC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 788889251 FTUMZFOHXPIQLR-ZDUSSCGKSA-N 413.500 -0.187 50 20 HBGD CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NNc2nnc(C)c(O)n2)cc1 817277475 IBABSXCIRSQLSB-UHFFFAOYSA-N 410.412 -0.516 50 20 HBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 914778073 YRAUDGMLUQZCGY-UWVGGRQHSA-N 401.391 -0.100 50 20 HBGD Cn1cc(C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)c(O)nc1=O 915805037 XKKCCXAKZOYAQQ-UHFFFAOYSA-N 400.439 -0.541 50 20 HBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)C=CC1=O)C2)[C@@H](F)Cl 1778029271 INMSRBWDAOTRIE-RGYTYGDFSA-N 401.822 -0.040 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccnnc3)CCO2)C1 1779028381 KLHOZGZBCZFGAE-IBGZPJMESA-N 411.422 -0.768 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccncc3)C2)C1 1780990214 NMLUJZOSQQCZFQ-NRFANRHFSA-N 424.461 -0.234 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(Cl)ncn1)CCO2 1783934449 AFBDMXLOIIHSTQ-GOSISDBHSA-N 424.889 -0.054 50 20 HBGD C[C@@](O)(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)C(F)(F)F 1784872761 JBFUQMPSRJDRPN-MMROJZCPSA-N 402.797 -0.121 50 20 HBGD O=C(CCC(=O)N1CCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1784995564 INZGYPXKPJQRIC-JONQDZQNSA-N 415.918 -0.032 50 20 HBGD C[Si](C)(C)OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNCP(=O)(O)O 1795520567 FTQVTIFASZJPIY-JJLQDPRZSA-N 423.479 -0.848 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)C1=COCCC1 1801047332 ZZCQXHXTLNTOSR-ALXJQNPVSA-N 400.240 -0.736 50 20 HBGD CN(C)C(=O)C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807361391 AHRYZTOILMPWPY-FUHWJXTLSA-N 424.266 -0.831 50 20 HBGD NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807373244 QBAYANKANLWWDB-OXJNMPFZSA-N 424.266 -0.654 50 20 HBGD NC(=O)CCC(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809973340 IIVOONPTJKYTFX-UHFFFAOYSA-N 401.272 -0.523 50 20 HBGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1ncon1 1811178839 KIGRHYAVOBNEGC-WBVHZDCISA-N 421.222 -0.222 50 20 HBGD CN(C)C(=O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817471505 QHKFAQNHCZXQMI-OAHLLOKOSA-N 413.243 -0.516 50 20 HBGD Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)n[nH]1 1830730853 FYVBJNMMSGLGOF-PBHICJAKSA-N 400.863 -0.683 50 20 HBGD C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835934476 VDKTVUXLARYGOG-NRFANRHFSA-N 414.267 -0.760 50 20 HBGD C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](Cl)COC)CCO2)C1 1840150793 RXMSBAVYVSZZOJ-RKVPGOIHSA-N 402.875 -0.265 50 20 HBGD O=C(CCc1nc(-c2ncccn2)no1)NNC(=O)c1ccc(-n2cnnn2)cc1 727723846 UBMYQQWZSZLPLY-UHFFFAOYSA-N 406.366 -0.104 50 20 HBGD NC(=O)[C@@H]1CCCN(CCCNC(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])C1 745830694 PHQHACJJQGCVJS-CYBMUJFWSA-N 422.442 -0.109 50 20 HBGD O=C(CCn1nnc2ccccc2c1=O)NNC(=O)CNC(=O)c1cccs1 751209355 OVJWSFDRVYLOBC-UHFFFAOYSA-N 400.420 -0.180 50 20 HBGD CN1CCN(C(=O)c2ccccc2NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)CC1 755623556 QHGSZLJNPXDGIM-CYBMUJFWSA-N 423.495 -0.338 50 20 HBGD CN(CC(=O)NNC(=O)CCNC(=O)OC(C)(C)C)S(=O)(=O)c1cccnc1 760439561 IOLORJIPUFAJPT-UHFFFAOYSA-N 415.472 -0.236 50 20 HBGD CCN(CC(=O)NNC(=O)Cc1ccccc1C)CC(=O)N[C@H]1CCS(=O)(=O)C1 764157974 VUZYYSCLDHLWEJ-INIZCTEOSA-N 424.523 -0.690 50 20 HBGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)cc1-n1cnnn1 764168194 OEAJACUBTCUYGS-INIZCTEOSA-N 423.389 -0.240 50 20 HBGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccc(OCC2CCOCC2)cc1 764427442 ZSWRUIZEQDKQNV-INIZCTEOSA-N 407.423 -0.007 50 20 HBGD NC(=O)NC1(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)CC1 767186856 FLOWSYXEYHDWOT-UHFFFAOYSA-N 409.468 -0.177 50 20 HBGD O=C(COC(=O)c1cccc(-n2cnnn2)c1)NNC(=O)[C@@H]1COc2ccccc2O1 775908460 VSYFTFDIKHPYMU-INIZCTEOSA-N 424.373 -0.194 50 20 HBGD CN(CC(=O)NNC(=O)CNC(=O)OCc1ccccc1)c1ncnc2[nH]cnc12 794063570 JBOSDVMYPLXTPA-UHFFFAOYSA-N 412.410 -0.137 50 20 HBGD CN(C)S(=O)(=O)c1c[nH]c(C(=O)OCC(=O)NNC(=O)c2cccs2)c1 915410730 YCOFHTJGDGKLOP-UHFFFAOYSA-N 400.438 -0.056 50 20 HBGD C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)C2=O 919885454 PDEKLKMYMAWSNW-GDLVEWKHSA-N 415.472 -0.995 50 20 HBGD CN(C)CCS(=O)(=O)c1ccccc1C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1319661166 UTJCURZVRRIULK-LBPRGKRZSA-N 417.509 -0.782 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NC[C@H]2CC(=O)N(C3CC3)C2)c1 1320202490 JHXZCQDNMSFHPF-GFCCVEGCSA-N 423.495 -0.108 50 20 HBGD C[Si](C)(C)OCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1779295946 GWSMOARPADEEIQ-LJQANCHMSA-N 420.347 -0.339 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=CCCS3)C[C@@H]21)c1cccc(B(O)O)c1 1786983328 MUIBTOUAKQJIJC-XIRDDKMYSA-N 416.308 -0.020 50 20 HBGD CC(=O)N[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)C(C)(C)C 1793190287 IASLOONIIRTVPO-AICCOOGYSA-N 403.907 -0.274 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccccn1 1794202511 VKNRJKDZOUVREG-VPTLXERWSA-N 417.510 -0.023 50 20 HBGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1)c1ccccn1 1795737067 ZRPSJJCGLBMSMC-REGYPHIPSA-N 423.278 -0.232 50 20 HBGD COc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)nn1C 1796191812 BIYFHURWLMHRRC-MUJYYYPQSA-N 412.255 -0.326 50 20 HBGD Cc1n[nH]cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1798659329 UPMWHZPEEBVFKE-DRXBFXEBSA-N 413.438 -0.766 50 20 HBGD CN1CC(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)c2cccc(B(O)O)c2)CC3)C1 1827266113 CCZVFHZVNMNSGG-CQSZACIVSA-N 414.296 -0.390 50 20 HBGD Cc1nn(C)c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1F 1830725324 NZMYLDXJVOWNNB-PXAZEXFGSA-N 418.853 -0.463 50 20 HBGD O=C(CC(F)(F)C(=O)O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830727912 KMDBRQOSUXZXEM-QMTHXVAHSA-N 414.789 -0.848 50 20 HBGD C[C@H](Cn1cncn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1837643908 YHTTZQFOEVQGSN-WWGRRREGSA-N 403.842 -0.095 50 20 HBGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(C)=O)C2)C1 1839966809 QLLZFRLXAHTSSY-BBRMVZONSA-N 420.304 -0.248 50 20 HBGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)COCCO)C2)C1 1840034647 RYPUPXRPFIYWJL-DOMZBBRYSA-N 409.277 -0.765 50 20 HBGD C[C@H](CBr)C(=O)N1CCCC12CN(C(=O)[C@H](O)N1CCOCC1)C2 1841287952 PQLRFEHNFMPLOY-OCCSQVGLSA-N 404.305 -0.129 50 20 HBGD Cn1nc(SCC(=O)NN=Cc2nc(-c3ccccc3)no2)c(=O)n(C)c1=O 726424565 XTORHKMHNQAQTI-UHFFFAOYSA-N 401.408 -0.229 50 20 HBGD Cc1ccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1F 755386841 ONJSREDOABQHPR-UHFFFAOYSA-N 403.374 -0.266 50 20 HBGD O=C(NCC(=O)N1CCN(S(=O)(=O)CBr)CC1)c1ccc(O)cc1 758528476 VRFRLFJHHBYPPC-UHFFFAOYSA-N 420.285 -0.052 50 20 HBGD CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NNC(=O)COc1ccccc1OC 763645874 DCUPIHGHXXIPCZ-UHFFFAOYSA-N 419.394 -0.230 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc2c(cc1Cl)OCCO2 764227645 OXGQDQNJCPLKHZ-SSDOTTSWSA-N 420.831 -0.865 50 20 HBGD CC(C)(C)OC(=O)NCC(=O)NCC(=O)NNC(=O)COc1ccc(C#N)cc1 766320792 PTCBCHLNLYDYFW-UHFFFAOYSA-N 405.411 -0.275 50 20 HBGD C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)NCc1ccccc1 787596153 ITZIPNYZVTXVJP-GFCCVEGCSA-N 419.463 -0.017 50 20 HBGD CN1CCN(C(=O)NNC(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)CC1 807378665 IHFXUZYOCKZHIJ-UHFFFAOYSA-N 409.512 -0.481 50 20 HBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)C[C@@H]2CCCC(=O)N2)CC1 809683218 VJYWEKOFZBHTGD-ZDUSSCGKSA-N 410.500 -0.480 50 20 HBGD CC(=NNC(=O)[C@H](C)CN1CCOCC1)c1ccc(S(=O)(=O)CC(N)=O)cc1 814763012 QGUUEBXBFVNOEG-CYBMUJFWSA-N 410.496 -0.246 50 20 HBGD COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)cc1 816878192 MHLIVYPXUZMPDB-NWDGAFQWSA-N 422.467 -0.637 50 20 HBGD CC(=O)NCC(=O)NCC(=O)NNC(=O)[C@H](C)Oc1cccc(Br)c1 918688213 OWFUPKCYKWNSKA-VIFPVBQESA-N 415.244 -0.384 50 20 HBGD Cc1cc(C(=O)O)cc(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1C 919960824 IULBLPNDPIADHU-LLVKDONJSA-N 405.454 -0.319 50 20 HBGD COc1ccc(C(=O)NNc2nccn(C)c2=O)cc1S(=O)(=O)N1CCOCC1 1252518450 IWILREBSLUZEJF-UHFFFAOYSA-N 423.451 -0.433 50 20 HBGD CSCC[C@@H](NC(=O)c1ccco1)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1317732114 FBNPLJKEPWEFLK-WDEREUQCSA-N 403.482 -0.287 50 20 HBGD C[C@@H](C=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)CNC(=O)OC(C)(C)C 1330190404 HHOBRDRFWDIRFY-SNVBAGLBSA-N 414.488 -0.166 50 20 HBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CNC1=O)C2)[C@@H](F)Cl 1778022361 MKGPAQPYEREEQL-CKUKBARFSA-N 404.826 -0.414 50 20 HBGD CC(C)(CCl)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1779085916 YDUXGDAGPIGUFL-KBXCAEBGSA-N 403.907 -0.268 50 20 HBGD CCc1cc(C(=O)N2CC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)nn1C 1779832472 KESQVUPILYVSGT-FQEVSTJZSA-N 420.514 -0.201 50 20 HBGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CS(C)(=O)=O)C2 1782170338 IRFFHCQOHOXYOV-WOSRLPQWSA-N 410.920 -0.201 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnc[nH]1)C2 1782210793 MIRJWWNRDMCWIR-DNVCBOLYSA-N 406.487 -0.090 50 20 HBGD Cc1nccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)n1 1786983477 VKAUCHBMBWRNAY-IEZWGBDMSA-N 424.266 -0.628 50 20 HBGD O=C1CN(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H](F)Br)C3)C(=O)N1 1794086364 CYWUCNDEMOWCLO-NHRVJRKFSA-N 405.224 -0.133 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)[C@@H]3C=CCN3)sc2C1 1817006369 KORNCSLNMKILNO-AAEUAGOBSA-N 406.512 -0.044 50 20 HBGD CN1CCN(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)[C@H](O)CCl)CC3)CC1 1818794366 MFBPRCXZPAVEGR-WCQYABFASA-N 415.947 -0.098 50 20 HBGD O=C(O)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Cl)C3)C2)ncn1 1833492672 RWBFXNOVGILLLL-MLGOLLRUSA-N 416.793 -0.221 50 20 HBGD O=C(CN1CCOCC1)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836716785 QHVHYJLJQKSIKS-QGZVFWFLSA-N 417.934 -0.083 50 20 HBGD O=C(Cn1cnnn1)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 725906887 HVLRGEXCCQRLSE-UHFFFAOYSA-N 415.435 -0.387 50 20 HBGD C[C@H](C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)N1C(=O)CCC1=O 728327440 LBJWQMATTGQHEX-MFKMUULPSA-N 405.363 -0.946 50 20 HBGD COc1nc2sccn2c1C=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O 730571790 UBZVMKYAAFCPEV-UHFFFAOYSA-N 409.453 -0.561 50 20 HBGD Cc1nc2ccccn2c1C(=O)NNC(=O)N[C@H]1CCN(CCN2CCOCC2)C1 734685997 JJTRFHFQNZHTJV-INIZCTEOSA-N 415.498 -0.007 50 20 HBGD CC(C)NS(=O)(=O)c1c[nH]c(C(=O)NNC(=O)CNC(=O)c2cccs2)c1 746197342 MVAMCEQNQPXMME-UHFFFAOYSA-N 413.481 -0.046 50 20 HBGD COC(=O)c1cc(C)c(C)c(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 747608728 KQHDRZUUDHHPTR-GFCCVEGCSA-N 419.481 -0.230 50 20 HBGD CC(C)OCCS(=O)(=O)NCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 747889818 CZMUYZHNXOMYSZ-AWEZNQCLSA-N 401.441 -0.682 50 20 HBGD CSC[C@H](C(=O)NNC(=O)C(=O)N1CCCC1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 748247134 UUHFWUFCZNPXAZ-RWMBFGLXSA-N 410.496 -0.337 50 20 HBGD C[C@@H](C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1)c1cnn(C)c1 750241813 MIBRSYUJQICMSL-CYBMUJFWSA-N 407.500 -0.002 50 20 HBGD CN(CC(=O)NNC(=O)CNC(=O)c1cccs1)S(=O)(=O)c1ccccc1 751209054 KLGQTSSKIDOUPM-UHFFFAOYSA-N 410.477 -0.054 50 20 HBGD COC(=O)c1ccc(Cl)cc1S(=O)(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 751268186 VLJGEPTVRLDYSN-QMMMGPOBSA-N 410.857 -0.129 50 20 HBGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)n1 751680415 SUJISLLEZCPVPR-SNVBAGLBSA-N 406.424 -0.539 50 20 HBGD Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 755448193 ZNOAFOUHMQBSCJ-CYBMUJFWSA-N 412.516 -0.163 50 20 HBGD Cn1c(=O)c2cc(NC(=O)NNC(=O)COc3ccc(C#N)cc3)cnc2n(C)c1=O 755847941 ZVDSLDUIAMDDRR-UHFFFAOYSA-N 423.389 -0.264 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 758036891 WKXTYALNASSVHB-GHMZBOCLSA-N 420.513 -0.875 50 20 HBGD COCCS(=O)(=O)c1ccc(CNC(=O)NNC(=O)C(=O)N2CCCC2)cc1 759396267 IYEUKWOMKAWIHX-UHFFFAOYSA-N 412.468 -0.441 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccn([C@H](C)c2ccccc2)n1 764227962 SSEQUWDQRGLHAB-VXGBXAGGSA-N 422.467 -0.484 50 20 HBGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 765749415 MSTQVKUXAFKEMK-QGZVFWFLSA-N 408.524 -0.305 50 20 HBGD CC(C)NC(=O)C(=O)NNC(=O)C(F)(F)c1ccc(OCC(=O)N(C)C)cc1 769539776 MBIQQZDSODZQFA-UHFFFAOYSA-N 400.382 -0.083 50 20 HBGD CCNC(=O)N(C)NC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 780708185 CIDVEZYWLQHUFZ-UHFFFAOYSA-N 414.484 -0.049 50 20 HBGD Cc1cccc(=O)n1C[C@](C)(O)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 792016376 OBFUZBZIZDRHFY-FQEVSTJZSA-N 411.418 -0.384 50 20 HBGD COc1ccc(C(=O)N2CCC[C@@H]2C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1 799101403 ZQRAHTUWIHGSND-SMDDNHRTSA-N 412.468 -0.615 50 20 HBGD CCOC(=O)CON=C(C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1)c1cc[nH]n1 801106703 YKJUNLLBZPWKRO-UHFFFAOYSA-N 416.394 -0.212 50 20 HBGD CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NNC(=O)C(=O)NC(C)C 822054515 YMGBBMODORHEDP-ZDUSSCGKSA-N 423.495 -0.044 50 20 HBGD Cc1csc(CC(=O)NNC(=O)COC(=O)CCCN2C(=O)CN(C)C2=O)n1 1115817804 SFHLQZNOMFRBAM-UHFFFAOYSA-N 411.440 -0.641 50 20 HBGD CCS(=O)(=O)c1ccc(CCC(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 1253671765 PQRUUSMCXCWXLS-CYBMUJFWSA-N 417.509 -0.070 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCCO1)CCO2 1779034060 KQTUUDQYHULKQI-KXBFYZLASA-N 403.439 -0.692 50 20 HBGD O=C(Nc1cccnc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784091115 KCGHGKFHNYBZGW-MHEUCROKSA-N 410.858 -0.401 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1784118185 XMYBTKDCEVMAQL-MEDUHNTESA-N 414.256 -0.475 50 20 HBGD CCO/C=C/C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1784229042 DKCYYRNHUFABMP-ROSSNEFBSA-N 403.439 -0.321 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCCCO3)C[C@@H]21)c1cccc(B(O)O)c1 1786981895 FHGZNQPDTPJCNI-KANFNMMFSA-N 416.283 -0.471 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(O)cn3)C[C@@H]21 1791288874 ZBCAHBCJDYWIIH-QRTARXTBSA-N 419.482 -0.247 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)C(Cl)Cl 1791294392 RMTPUOADXJFWMM-UBHSHLNASA-N 415.082 -0.237 50 20 HBGD CN(CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN)NC(=O)NCc1ccccc1 1795971078 AOAQFFVVWBMAPM-BJWYYQGGSA-N 402.499 -0.071 50 20 HBGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1nc(N)n[nH]1 1797628096 PDGDIYOXHPGZHH-ORXSELOVSA-N 415.292 -0.308 50 20 HBGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccnc1C(N)=O)C2 1800979061 QVZFOKIDRVIXNJ-WRWGMCAJSA-N 411.846 -0.968 50 20 HBGD O=C(c1cc(=O)n2[nH]nnc2n1)N1CCCC2(CCN(C(=O)[C@@H](O)CCl)CC2)C1 1810488864 CGWANDNZISDSHD-LBPRGKRZSA-N 423.861 -0.743 50 20 HBGD CC1CCN(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)CC1 1830726156 OFEOBYVDXGQKCF-VQIMIIECSA-N 417.934 -0.226 50 20 HBGD C[C@H](CC(N)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1831608304 CNYGZEHJQVZSTJ-IXPVHAAZSA-N 424.267 -0.355 50 20 HBGD NC(=O)[C@@H](N)CCC(=O)NC1CCN(C2CCN(C(=O)[C@@H](F)Cl)CC2)CC1 1834733703 ZFIANXBJSACHKZ-DZGCQCFKSA-N 405.902 -0.315 50 20 HBGD CC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835935765 PZCIBLAZTCIWPH-FQEVSTJZSA-N 404.272 -0.518 50 20 HBGD O=C(O)c1cnncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1837946596 JSOJCJNHFRVDJW-WBMJQRKESA-N 416.793 -0.221 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2cnn3c2OCCC3)C1 1845614008 CJPYFZONJYYTED-UHFFFAOYSA-N 404.471 -0.144 50 20 HBGD NC(=O)CNC(=S)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 727076556 UVRCMNVNHIRQHT-UHFFFAOYSA-N 421.504 -0.241 50 20 HBGD O=C(COC(=O)CCn1cc([N+](=O)[O-])cn1)NNC(=O)[C@@H]1COc2ccccc2O1 728338100 DUUUIHHSYFGERQ-AWEZNQCLSA-N 419.350 -0.288 50 20 HBGD COC(=O)NCCCC(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 735116724 CWEXOLJQSZAHRK-UHFFFAOYSA-N 414.488 -0.403 50 20 HBGD CC(=O)N1CC[C@@](C)(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)C1 747090494 DZHYXYCKXQCAIW-DNVCBOLYSA-N 405.407 -0.225 50 20 HBGD CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)NNC(=O)[C@@H]2COCCO2)cc1 756788649 BBWDWCAWSZHFOG-FZMZJTMJSA-N 408.411 -0.064 50 20 HBGD COc1ccc(-c2cc(C(=O)NNC(=O)CC[C@@H]3NC(=O)NC3=O)n[nH]2)cc1OC 765596858 NJCXYNUYJPRIKC-JTQLQIEISA-N 416.394 -0.157 50 20 HBGD O=C(NNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N[C@H]1CCS(=O)(=O)C1 781949881 NXTWWNZXFPXGLC-TVQRCGJNSA-N 411.396 -0.395 50 20 HBGD COc1cc(Cl)c(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1OC 790339901 ORWGBODDTACTIT-SSDOTTSWSA-N 415.877 -0.396 50 20 HBGD CCOC(=O)c1cc(COC)cc(S(=O)(=O)NNC(=O)NCC(=O)OC)c1 793416846 RGHUEKSBYIQQOO-UHFFFAOYSA-N 403.413 -0.325 50 20 HBGD COc1ccc(C(=O)NNC(=O)COC(=O)c2ccnc3c2nnn3C)cc1OC 801498041 DGHOZDZISKNSIS-UHFFFAOYSA-N 414.378 -0.002 50 20 HBGD CCOC(=O)[C@H](CC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(C)=O 816810246 FIFLZJGVGGGKBD-CQSZACIVSA-N 413.452 -0.144 50 20 HBGD CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919885635 MDOVXOHEHWTCDC-NWDGAFQWSA-N 410.518 -0.902 50 20 HBGD O=C1CC2(CCN(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)CC2)CN1 1319046840 QMDNRGVXIAKNSP-UHFFFAOYSA-N 408.484 -0.064 50 20 HBGD Cc1csc(CC(=O)NNC(=O)CN2CC[S@@](=O)C[C@H]2c2cnn(C)c2)n1 1324532566 LFWWAZRBMZDSEE-JGTBNHKDSA-N 410.525 -0.319 50 20 HBGD CCN(C)C(=O)c1cccc(S(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 1346862584 KQHVURIFVJLJJY-GFCCVEGCSA-N 403.482 -0.477 50 20 HBGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](C)Br)CCO2)C1 1778790815 YTSMUYIRZAPJOX-HFAKWTLXSA-N 422.276 -0.336 50 20 HBGD CN1CCC[C@@H](C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)C1 1780997794 MKQKUUSFTPWJDY-DYESRHJHSA-N 415.299 -0.848 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cncn1C)C2 1782210917 ZIRJXEZJFNDSFL-OXQOHEQNSA-N 420.514 -0.079 50 20 HBGD CCC[C@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784097406 XYOHSCFCDMSRTJ-QXKUPLGCSA-N 403.907 -0.129 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCCOC3)C2)C1 1785499405 LFPSQQBBRMJIPW-XOBRGWDASA-N 417.466 -0.445 50 20 HBGD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)c[nH]1 1786983452 UCNIUJBXEJZOQV-SNRMKQJTSA-N 411.267 -0.090 50 20 HBGD CSCC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795732984 UOZOIXCDESSMAX-SCAQPMJSSA-N 420.340 -0.041 50 20 HBGD CCC[C@@H](NC(C)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796190520 HQXXFZRPXPWOGZ-FCGDIQPGSA-N 415.299 -0.077 50 20 HBGD Cc1ccn(C)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1798739571 HBCPKDGKFOXOSO-ALXJQNPVSA-N 411.267 -0.470 50 20 HBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@](C)(O)CC(=O)O 1801007528 DQVDQPLOOXWJLD-MUTWKMIISA-N 406.863 -0.554 50 20 HBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)C=CC2=O)[nH]n1)[C@H](O)CCl 1814877860 MPZQKZFPNHOWPN-NWDGAFQWSA-N 409.830 -0.074 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCC([C@@H]2CCCCN2C(=O)COCCO)CC1 1830369836 XRFKPDBCMKDILN-IBGZPJMESA-N 418.299 -0.391 50 20 HBGD Cn1c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cccc1=O 1830724970 KNRXQAQDYVYNCF-KSSFIOAISA-N 413.858 -0.945 50 20 HBGD O=C(NC1CCN(C2CCN(C(=O)CN3CCOC3=O)CC2)CC1)[C@@H](O)CCl 1833305994 IOUSKVBDHNWKDO-HNNXBMFYSA-N 416.906 -0.390 50 20 HBGD C[C@@H](CN)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834801029 IUGXZRNDARHDHX-HNNXBMFYSA-N 416.331 -0.854 50 20 HBGD O=C(/C=C/c1cnccn1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840484415 PGRJPYZNGLRRHD-JUDDRIGUSA-N 410.858 -0.454 50 20 HBGD COc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)C(=O)NC(C)C)cc1OC 46773231 IZYFZPXBBSGRMY-UHFFFAOYSA-N 416.456 -0.956 50 20 HBGD Cn1c(=O)c2cc(C(=O)NNC(=O)Cn3ccc4ccccc43)n(C)c2n(C)c1=O 729454605 WRWFNOMJOFWUHG-UHFFFAOYSA-N 408.418 -0.008 50 20 HBGD O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)c1cccc([N+](=O)[O-])c1 742462985 JFIPNOBVHDRVBP-UXOAXIEHSA-N 402.363 -0.092 50 20 HBGD O=C(Cc1cccnc1)NNC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 743589142 PHIDBMNTHNDKCH-UHFFFAOYSA-N 408.440 -0.500 50 20 HBGD NS(=O)(=O)c1cnn(CC(=O)NNC(=O)Nc2ccc(OC(F)F)cc2)c1 743832683 YMSRSTQXXNXAMC-UHFFFAOYSA-N 404.355 -0.015 50 20 HBGD CC(C)(C)C(=O)NNC(=O)CN1CCN(c2cc(N3CCOCC3)ncn2)CC1 744404876 ZJNMOCCKWNBRLP-UHFFFAOYSA-N 405.503 -0.371 50 20 HBGD Cc1cccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 748544693 LXJQSZNLOKPZJJ-UHFFFAOYSA-N 406.420 -0.193 50 20 HBGD CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)NNC(=O)COc2ccccc2O)C1=O 752022306 CIBDDKHCMJBUOZ-ADLMAVQZSA-N 405.411 -0.178 50 20 HBGD CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 756687376 YYQREJFOTJOTDY-SECBINFHSA-N 422.460 -0.337 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NNC(=O)CC1CC1 764142543 IXQWVWSKDCKSQH-UHFFFAOYSA-N 424.479 -0.098 50 20 HBGD CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)NNC(=O)CNC(=O)c2cccnc2)C1 765507041 ADZZJFJHYSSBOF-AWEZNQCLSA-N 421.454 -0.015 50 20 HBGD CNS(=O)(=O)NC1CCN(CC(=O)NNC(=O)c2ccccc2Cl)CC1 812839658 FPLLZKDUYKQGFO-UHFFFAOYSA-N 403.892 -0.381 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NNC(=O)[C@H]3CCC(=O)N3)C2)cc1 913484536 WCPCVFXNHRNCIU-DZGCQCFKSA-N 408.480 -0.178 50 20 HBGD CS(=O)(=O)c1cc(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1Cl 1317963245 OBZRTIXBYPFEGA-SECBINFHSA-N 409.873 -0.125 50 20 HBGD C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1778973947 OSTXCPHRYXCCLF-YWZLYKJASA-N 410.515 -0.238 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cccnn2)C1 1779657076 CAQZCIUCNXRMSD-OXQOHEQNSA-N 418.498 -0.023 50 20 HBGD C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783934805 MYWSJKFTDLXSJM-HXUWFJFHSA-N 424.498 -0.301 50 20 HBGD CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Cl)C[C@@H]21 1788638636 OVEPNOVOUYGNES-YYFQZIEXSA-N 422.837 -0.005 50 20 HBGD C[Si](C)(C)OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@H](N)C(N)=O 1795631963 BHTDEGFFHYWEKG-ZWUHOBOKSA-N 400.552 -0.980 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NNC(=O)C1 1798372008 PFBHOZNKBWDNJE-DANCKDMQSA-N 413.438 -0.366 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2)c1c[nH]c(=O)cn1 1798635146 YGFZKXYAQRYREE-VVJJBPBLSA-N 403.208 -0.336 50 20 HBGD C=CCC(F)(F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1800543963 ATQZPUMRJMZIEN-MIFYACCESA-N 408.210 -0.219 50 20 HBGD C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801010601 KQHJJHDYOXDROC-CWPLJXCYSA-N 410.515 -0.068 50 20 HBGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C)N1C[C@@H]2C[C@H]2C1 1801011364 IGLKXYAAGGFQKD-XRLWNKCISA-N 421.542 -0.711 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCCS1(=O)=O)c1ccc(B(O)O)cc1 1801514999 LUIWTIJUZFKDCO-YYIAUSFCSA-N 420.296 -0.805 50 20 HBGD Cn1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)n1 1839197675 FCYVWQRXBZULGW-YGRLFVJLSA-N 420.239 -0.424 50 20 HBGD O=C1CC[C@@H](C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)N1 1839199295 LWKDVFZZFTXQIZ-WBIUFABUSA-N 422.251 -0.588 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)Cn2cc(Cl)cn2)C1 1843027648 PPOUPSBPPALBDJ-UHFFFAOYSA-N 402.647 -0.267 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2ccc3nn[nH]c3c2)C1 1845733433 NRFABWZFLWQIJN-UHFFFAOYSA-N 405.223 -0.232 50 20 HBGD COc1ccccc1CC(=O)NNC(=O)NCCS(=O)(=O)N1CCOCC1 52300336 WKVAXLBSQWGDMP-UHFFFAOYSA-N 400.457 -0.770 50 20 HBGD COc1ccc(Br)c(C(=O)NNC(=O)CN2CCS(=O)(=O)CC2)c1 728527459 JWIROGDXKVIFSH-UHFFFAOYSA-N 420.285 -0.051 50 20 HBGD O=C(NC[C@H]1CN2CCC[C@@H]2CO1)NNC(=O)C1CCN(c2ncccn2)CC1 729500111 GEESVJZHRVBVNS-CVEARBPZSA-N 403.487 -0.113 50 20 HBGD Cc1n[nH]cc1C(=O)NNC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 735516722 XVTVTXSBMJASED-UHFFFAOYSA-N 408.440 -0.841 50 20 HBGD C[C@@H](C(=O)NNC(=O)COCc1ccccc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 744369027 QJYRUNMQINCXPM-WEBKGQRMSA-N 401.419 -0.099 50 20 HBGD Cn1c(O)ncc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1=O 751558243 QWBMKPOFBJCYDF-UHFFFAOYSA-N 421.435 -0.655 50 20 HBGD CCn1c(NNC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)nc2ccccc2c1=O 755114449 ZLKQOKLTWLHNRE-LLVKDONJSA-N 419.467 -0.040 50 20 HBGD Cc1cc(N2CCN(C)CC2)ccc1NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 755448195 ZNOAFOUHMQBSCJ-ZDUSSCGKSA-N 412.516 -0.163 50 20 HBGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccc(-n2cnc3ccccc32)nc1 764430624 XNGKKPWOCWHUCO-HNNXBMFYSA-N 410.390 -0.078 50 20 HBGD CCOC(=O)NNC(=O)C(=O)Nc1cc(C(=O)N2CCN(C)CC2)ccc1OC 765414028 ONGQLOGTYQNVTJ-UHFFFAOYSA-N 407.427 -0.201 50 20 HBGD CCn1cc(S(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)cn1 767849665 ISJBMRPKFDWBTD-UHFFFAOYSA-N 401.308 -0.109 50 20 HBGD COc1ccccc1[C@](N)(C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)C(F)(F)F 776103696 ZJGIWXRSZCPASM-XPTSAGLGSA-N 409.386 -0.006 50 20 HBGD O=C(NNC(=O)N1CCOCC1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 780516190 UGXAWZOPSDMVIP-OCCSQVGLSA-N 416.431 -0.977 50 20 HBGD CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)[C@@H]1Cc2ccccc2O1 786417874 ZEBFRNSALQHTPD-ZDUSSCGKSA-N 401.379 -0.314 50 20 HBGD C=CCN1C(=O)C(=O)N(CC(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)C1=O 812729393 OEVNLJRVLSZZJA-UHFFFAOYSA-N 409.424 -0.643 50 20 HBGD O=C(NNC(=O)N1CCN(C(=O)c2ccccn2)CC1)c1ccc(-n2cnnn2)cc1 918779087 AFFHIMGDVUGAGZ-UHFFFAOYSA-N 421.421 -0.130 50 20 HBGD CCCNC(=O)NNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 921020368 IHWPWZOAJWHQSK-UHFFFAOYSA-N 406.486 -0.390 50 20 HBGD CNS(=O)(=O)c1cc(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)ccc1OC 1324087375 WHKWEIUKEBYIDC-GFCCVEGCSA-N 405.498 -0.291 50 20 HBGD Cc1c(/C=C(\C#N)C(=O)N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)cc(C#N)n1C 1324230507 GYTRPFSLMZXMGJ-SXSSENBOSA-N 403.464 -0.126 50 20 HBGD O=C(Cc1ccncc1)N1CC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1780988298 QALOJHDVVJUBNL-NRFANRHFSA-N 409.251 -0.552 50 20 HBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)[C@H]1CCCO1 1781971073 QPQSMIPGYAZCNR-DBXWQHBBSA-N 416.283 -0.327 50 20 HBGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CNC(=O)C1)C2 1782179227 IRLJFBDFYZHVEN-KYZVSKTDSA-N 401.891 -0.110 50 20 HBGD C[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1 1783533930 MHJASJXDTNSKBV-BMIGLBTASA-N 415.292 -0.067 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)C3CC(=O)C3)C2)C1 1785404551 BFPWKQNPBHTERK-LJQANCHMSA-N 401.423 -0.892 50 20 HBGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccncc3=O)C[C@@H]21 1791257356 BPBYKCHRUGHFHZ-AJNGGQMLSA-N 412.874 -0.523 50 20 HBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)Cc1cccnc1 1796398753 KCFZMFUXZPGQFR-QEOTZNIISA-N 410.902 -0.205 50 20 HBGD N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)cc1 1798920380 UMVQZFZKFZGSLL-OPVJXMOQSA-N 419.246 -0.245 50 20 HBGD CC[S@](=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801011334 HMKONYJRNNBYAU-NYZBSXQKSA-N 416.544 -0.892 50 20 HBGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)C1CC(O)C1 1803042752 DWNLKDMLCWHABN-OQUMVOOASA-N 423.278 -0.148 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CNC(=O)O3)CC2)CC1 1833513923 WZDLMHBBGMJEAI-CABCVRRESA-N 416.906 -0.080 50 20 HBGD CNC(=S)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1837464454 AMVLLVZFDFMLAF-WFASDCNBSA-N 410.899 -0.539 50 20 HBGD O=C(c1cnc(O)[nH]1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1838069634 BCJGLGGGDBMOJM-HZMBPMFUSA-N 421.223 -0.124 50 20 HBGD C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1845188054 ZZXXVHULINKDLO-UHFFFAOYSA-N 400.240 -0.307 50 20 HBGD Cn1ncc2c(=O)n(CC(=O)NNc3ccc(S(=O)(=O)NC4CC4)cc3)cnc21 726867349 GBQRTRPAXYKVCJ-UHFFFAOYSA-N 417.451 -0.286 50 20 HBGD CCOc1ccc(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1C(=O)O 728510790 UGVAMAZSRNXHMA-MRVPVSSYSA-N 409.442 -0.969 50 20 HBGD O=C(NNS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1)N1CCOCC1 745833831 FXDHJLZVYWRTJN-UHFFFAOYSA-N 404.470 -0.638 50 20 HBGD Cc1nc2ccccn2c1C(=O)NNC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 746102567 IKSVRPHIVOGHDQ-SIJPQNPESA-N 411.418 -0.045 50 20 HBGD O=C(C[C@@H]1CN(Cc2ccccc2)CCO1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 746161768 AVXUSWRVMGGFEF-JKSUJKDBSA-N 410.496 -0.205 50 20 HBGD C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NNc2ccc(C(N)=O)nn2)C1=O 757403253 ZHEFSHIFNRAZBB-QGZVFWFLSA-N 401.358 -0.375 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccc(Cl)c1 758030955 UIXCMGGYKYFDQN-WFBYXXMGSA-N 416.887 -0.056 50 20 HBGD CS(=O)(=O)c1nc(C(=O)NNC(=O)CNC(=O)c2cccnc2)c2ccccn12 764342771 RHUDJSCKPADBKG-UHFFFAOYSA-N 416.419 -0.676 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2ccc(Cl)cc2)n(C)c1=O 765312529 IEWDMVZOSKFXAW-UHFFFAOYSA-N 405.802 -0.060 50 20 HBGD NC(=O)CCCCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 802421196 LKZXOEYFPNOVBZ-UHFFFAOYSA-N 412.468 -0.486 50 20 HBGD CC(C)Oc1ncccc1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 807091501 MAARXORJWOAKAO-UHFFFAOYSA-N 415.410 -0.923 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O 808831716 GAKTZVGIKJNRLX-SECBINFHSA-N 423.451 -0.217 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@]23CCC(=O)N2CCS3)c1 811923018 RBNJHXLVXILEHK-MRXNPFEDSA-N 412.493 -0.237 50 20 HBGD Cn1cnnc1SCc1ccc(C(=O)NNC(=O)c2cn(C)c(=O)nc2O)cc1 916102454 SZKFBGXUYOSUPI-UHFFFAOYSA-N 415.435 -0.019 50 20 HBGD O=C(c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O)N1CC[C@@H](B(O)O)C1 1330263010 YHQBNSUKXYDZQU-OLZOCXBDSA-N 408.241 -0.301 50 20 HBGD COC[C@H](NC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2 1779554538 WMQWPLZEVMTVCA-LUXYFRNMSA-N 419.906 -0.749 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CC[C@@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1 1781234289 STECYUIYMXENNB-IAGOWNOFSA-N 418.277 -0.022 50 20 HBGD C[C@](O)(CC(=O)O)CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2 1782202030 JLGPNBDUZOTYPN-QIZIZJAASA-N 420.890 -0.284 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)[C@@H]1CCCOC1 1792210983 KPGJDLAGHPOBPK-NBMJBFSESA-N 416.283 -0.614 50 20 HBGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCOC1=O 1793166458 QSOLEBISRKPRAF-HNCHTBHHSA-N 404.261 -0.188 50 20 HBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccn2c(O)nnc12 1796289056 KGJSFHLAVVGIEP-XCCSTKFXSA-N 423.857 -0.108 50 20 HBGD COC[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797748671 QVIOBLGJWSPSAY-JFILPPLUSA-N 405.455 -0.829 50 20 HBGD COc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)n1 1830726443 YQYPHMLWLHQNPA-KBXCAEBGSA-N 413.858 -0.240 50 20 HBGD CC[C@H](NC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1835052503 BNZSMUWVKJFJCJ-GJZGRUSLSA-N 417.938 -0.395 50 20 HBGD COCCOCC(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1835242067 ICHRCKTZARHEJW-GOSISDBHSA-N 418.563 -0.043 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3nc(C)no3)CCO2)C1 1836075014 OGPKVDJEMVSQLZ-GUYCJALGSA-N 416.862 -0.369 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCC(=O)N3C)CCO2)C1 1839216298 MLNYONMQEKWQLU-QWQRMKEZSA-N 417.890 -0.683 50 20 HBGD CCc1[nH]nc(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)c1F 1842309372 SACIKZHEYWMMQU-UHFFFAOYSA-N 400.219 -0.078 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)COc1cccnn1)C2 1844265386 XRNCSRGCCFZGJT-UHFFFAOYSA-N 411.422 -0.629 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cccc(Br)c1 728510307 WFIOBHOFSZYLOC-ZETCQYMHSA-N 400.276 -0.304 50 20 HBGD Cc1ccc(F)c2c1C(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)C(=O)N2 732713092 XIWZZVDKJQHRTK-UHFFFAOYSA-N 406.399 -0.509 50 20 HBGD CC(C)NC(=O)C(=O)NNS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 733122330 YEEKDOOKPNNCJS-UHFFFAOYSA-N 418.497 -0.695 50 20 HBGD O=C(NNC(=O)N1CCOCC1)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 745993080 WSFCRQCEUZITSD-UHFFFAOYSA-N 421.479 -0.080 50 20 HBGD Cc1ccc(OCC(=O)NNC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 746385646 HEKHPERUTGTLJQ-INIZCTEOSA-N 404.467 -0.298 50 20 HBGD CC(C)(C)NC(=O)CN1CCC(CNC(=O)NNC(=O)C(=O)N2CCCC2)CC1 751112208 UYZGJOLRXUUTGM-UHFFFAOYSA-N 410.519 -0.434 50 20 HBGD CCOC(=O)COc1cccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 755654154 DXCUOHMPWMTPOS-JTQLQIEISA-N 402.429 -0.281 50 20 HBGD COC(=O)c1cn(C2CCN(C(=O)NNC(=O)CNC(=O)c3ccco3)CC2)nn1 759256084 AQSOGPAIEYCODD-UHFFFAOYSA-N 419.398 -0.535 50 20 HBGD CC(C)NS(=O)(=O)NCCNC(=O)NNC(=O)Cc1nc2ccccc2n1C 759519744 SGRIBQBIODCKGO-UHFFFAOYSA-N 411.488 -0.721 50 20 HBGD O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NNC(=O)CNC(=O)c1cccnc1 763823706 DXIZAWDVIXZIME-ZIAGYGMSSA-N 401.423 -0.476 50 20 HBGD C#CCN1CCC(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)CC1 772114112 KPRZRDWNYSDWHR-QGZVFWFLSA-N 401.419 -0.138 50 20 HBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 779622179 HTUFODYKWYSBNP-LSDHHAIUSA-N 404.533 -0.305 50 20 HBGD COc1nc(Br)ccc1NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 789384038 JNPFQLDKCNXGBQ-LURJTMIESA-N 410.250 -0.057 50 20 HBGD C[C@@]1(C2CC2)NC(=O)N(CC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1=O 794066237 WQDOKAXQHMEZIH-IBGZPJMESA-N 417.422 -0.219 50 20 HBGD Cc1c(C)c(O)c(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)c1O 799883361 ZGOAOVRUGBVZGA-UHFFFAOYSA-N 414.422 -0.080 50 20 HBGD O=C(NNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)Nc1ccc2c(c1)OCO2 802099562 MFAWTFGFTGDHNY-PWSUYJOCSA-N 424.435 -0.396 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1csc(-c2ccccc2)n1 806978136 OGRFJXPHZIMAIW-VIFPVBQESA-N 411.465 -0.166 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccccc2-n2cnnn2)c1 873780837 PRLGCWXQTSVDEB-UHFFFAOYSA-N 415.435 -0.013 50 20 HBGD CC1CCC2(CC1)NC(=O)N(CC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)C2=O 919883654 FJUXVNDAXUYPSB-NOEPWBJOSA-N 415.472 -0.995 50 20 HBGD C[C@@H]1Oc2ccccc2N(CCC(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)C1=O 919889308 KSLPSLSVYHJBKT-RYUDHWBXSA-N 410.452 -0.292 50 20 HBGD Cn1c(C=NNC(=O)COc2ccccc2[N+](=O)[O-])nc2c1c(O)nc(=O)n2C 920365327 PBRAKKZDADKGEI-UHFFFAOYSA-N 401.339 -0.190 50 20 HBGD CNS(=O)(=O)N1CCC(C(=O)NNc2ccccc2S(=O)(=O)N(C)C)CC1 1117763607 PLNLBWNBDCQUAS-UHFFFAOYSA-N 419.529 -0.444 50 20 HBGD Cc1nocc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1786134107 SBLIGESDFCSWDA-ZVZYQTTQSA-N 413.239 -0.430 50 20 HBGD CC[C@@H](C)[C@H](N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1786817514 RATBTUFLASRDCT-CRWDZZMISA-N 417.315 -0.667 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1ON=C(c3ccccc3)O1)C2)[C@@H](O)CCl 1792981507 LNEDDYTXRRVOCF-WYGUVQOISA-N 423.853 -0.090 50 20 HBGD CCS(=O)(=O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CO[Si](C)(C)C)C2 1793318785 YQZLYOGPRLMDIE-YWVIFJGQSA-N 406.577 -0.138 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)C1=CCCS1 1793410591 PXVZXNLJIAFBFG-XOIINTDNSA-N 402.281 -0.410 50 20 HBGD CCNC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](Cl)COC 1800977260 WIGCJEXAQMCEGN-PEBLQZBPSA-N 404.895 -0.463 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2nc[nH]n2)[C@H]1c1cccnc1 1813069915 BPBJYCIELTYBNF-YOEHRIQHSA-N 414.470 -0.108 50 20 HBGD CN(C)C(=O)C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815339942 WDCIKNHVRHRKEE-LBPRGKRZSA-N 416.268 -0.863 50 20 HBGD C[C@@H](CN)C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354465 CWOIRADWNFDZKP-GWCFXTLKSA-N 402.285 -0.357 50 20 HBGD O=C(Cn1cnnn1)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1817616145 QFCRRCAJWUFINL-OAHLLOKOSA-N 424.230 -0.918 50 20 HBGD Cc1nccn1[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1 1830737317 HANHKZMRDMMQJB-QIIPPGSGSA-N 414.890 -0.191 50 20 HBGD CCOC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](Cl)CC)C2)C1 1837209784 VAPQHFPLRIGWFD-OGHNNQOOSA-N 421.878 -0.475 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1ccnc3c1OCO3)C2 1844264563 ILCMAHGSABVQAM-UHFFFAOYSA-N 424.417 -0.060 50 20 HBGD O=C(CCN1C(=O)CCC1=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 725898561 KNNYOHGNFCISBE-UHFFFAOYSA-N 422.463 -0.229 50 20 HBGD COc1cc(N2C[C@@H](C(=O)NNC(=O)c3cnn[nH]3)CC2=O)cc(OC)c1OC 729456740 DRJIXKHIWVQAEH-VIFPVBQESA-N 404.383 -0.355 50 20 HBGD O=C(COC(=O)C1(C(=O)NC2CC2)CC1)NNC(=O)[C@H]1COc2ccccc2O1 729716648 VCPHJHMLRAMBTQ-CQSZACIVSA-N 403.391 -0.424 50 20 HBGD CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1 740903743 UDVCFXADKFBSKT-TZMCWYRMSA-N 407.456 -0.038 50 20 HBGD O=C(COc1ccc(CCNC(=O)NNC(=O)C(=O)N2CCCC2)cc1)NC1CC1 748458610 DQVTVPCEASOLOU-UHFFFAOYSA-N 417.466 -0.161 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@H]2CC(=O)N(C3CC3)C2)cc1 750655247 LGECMQWEBMUVPF-ZDUSSCGKSA-N 423.495 -0.291 50 20 HBGD CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 764087192 XKBUCDLGCNDMES-LBPRGKRZSA-N 412.468 -0.161 50 20 HBGD C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NNC(=O)CO)cc2)C1 764422128 VJXIATHPTIXBRI-TXEJJXNPSA-N 412.468 -0.569 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)COC(C)C)CC2)cc1 765727906 JXOYTCOLKUQBHF-UHFFFAOYSA-N 412.512 -0.126 50 20 HBGD O=C(COC(=O)c1ccc2nnc(O)n2c1)NNC(=O)[C@H]1COc2ccccc2O1 767732444 QNOMSXMTAAFNGC-CYBMUJFWSA-N 413.346 -0.421 50 20 HBGD COC(=O)CNC(=O)NNS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 779844455 KBENAUZKMZNHBA-UHFFFAOYSA-N 412.346 -0.356 50 20 HBGD CS(=O)(=O)NCC1CCN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1 796260114 JKOKHKVQUVURKH-UHFFFAOYSA-N 413.456 -0.383 50 20 HBGD CC(=O)N[C@](C)(C(=O)NNC(=O)c1cnn(C)c1)c1ccc(S(C)(=O)=O)cc1 1322513838 JGXCHJZDDOERJP-KRWDZBQOSA-N 407.452 -0.364 50 20 HBGD CCNC(=O)N[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](Cl)COC)CCO2)C1 1778960559 HKHKVOASOVEMRW-XNJGSVPQSA-N 404.895 -0.222 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(CO)o3)C2)C1 1779555536 NCWRCCQZAGBSNB-IBGZPJMESA-N 408.455 -0.412 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(Cl)ncn3)C2)C1 1779819650 LFSPXSBLHFQKFM-GOSISDBHSA-N 424.889 -0.054 50 20 HBGD O=C(c1nn[nH]c1C(F)(F)F)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1780359429 LRGMWOYMPLWEQU-AMIZOPFISA-N 411.768 -0.133 50 20 HBGD CC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCS(=O)(=O)CC3)CCO2)C1 1781215943 YXUGHKLANYBYRY-RHSMWYFYSA-N 421.947 -0.436 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)N1CCN(C)CC1)CCO2 1783879871 BIDPPKUAAXRTAB-GJYPPUQNSA-N 416.950 -0.294 50 20 HBGD O=C(NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1)c1ccco1 1784090272 WMZPXLWFAXEHDR-ABHRYQDASA-N 413.858 -0.411 50 20 HBGD CC(C)[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1784184658 CALBZXDMZVLNEC-STECZYCISA-N 419.482 -0.705 50 20 HBGD CC(C)O[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786980970 HLJVAFMRESAYPI-XIVBQZFQSA-N 418.299 -0.227 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/c3cnc[nH]3)[C@H]2C1 1791505213 GSWJWUUYXRMNIK-GHKOJRRNSA-N 418.498 -0.224 50 20 HBGD O=C1NC[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)O1 1834819840 YRDUAMXFGOXSFN-XHDPSFHLSA-N 420.260 -0.664 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CC3)C2)C1 1837461521 XEHVTKCFOCONBZ-LJQANCHMSA-N 403.439 -0.835 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnnc3O)C2)C1 1840154514 XZYGCYNLBIPYSQ-DYVFJYSZSA-N 414.846 -0.494 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2ccc3c(n2)OCCO3)C1 1843312742 BJDJAOAYLURJDK-UHFFFAOYSA-N 423.234 -0.337 50 20 HBGD CN1CCC[C@H](C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)C1 1845054672 MRWMZWYZZVEWGD-AWEZNQCLSA-N 400.483 -0.156 50 20 HBGD Cn1c(=O)c2c(ncn2CCC(=O)NNC(=O)c2ccc3ccccc3n2)n(C)c1=O 27688200 YRNLICDYOGMUKF-UHFFFAOYSA-N 421.417 -0.167 50 20 HBGD C[C@@H]1Cc2cc(C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)ccc2N1S(C)(=O)=O 728384607 GIHBSFGDSLIZKZ-PWSUYJOCSA-N 415.493 -0.407 50 20 HBGD CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 730076302 ZJDOEBSHFHZBQT-WDEREUQCSA-N 406.530 -0.158 50 20 HBGD COc1ccccc1OCC(=O)NNC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O 735512131 LQEUIFSZVRHJEE-CYBMUJFWSA-N 402.411 -0.057 50 20 HBGD CC(C)OCCS(=O)(=O)NCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 747889819 CZMUYZHNXOMYSZ-CQSZACIVSA-N 401.441 -0.682 50 20 HBGD CCN(CC)S(=O)(=O)c1cc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)n(C)c1 758309833 KCPZBEDSVCCANQ-NSHDSACASA-N 420.513 -0.749 50 20 HBGD O=C(CCN1CCOC1=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765739372 VEYIDHDMQXKPDZ-UHFFFAOYSA-N 403.439 -0.566 50 20 HBGD COc1cccc(S(C)(=O)=O)c1NNC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 768646009 WPVOSOHMPJYZSB-XEQNPHJVSA-N 423.447 -0.296 50 20 HBGD CS(=O)(=O)c1cccc(NNC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)c1 776540579 YBWLGJMNWZVWTB-CQSZACIVSA-N 410.496 -0.286 50 20 HBGD COCCOc1ccc(F)cc1NC(=O)C(=O)NN[C@]1(C)CCS(=O)(=O)C1 783427200 MOZJVBUXVBYFGL-MRXNPFEDSA-N 403.432 -0.013 50 20 HBGD Cc1cnn(C)c1S(=O)(=O)NNC(=O)c1sc(N2CCOCC2)nc1C 795283917 NVAOHAYHXHUGRV-UHFFFAOYSA-N 400.486 -0.047 50 20 HBGD CCCc1nnc(SCC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)n1N 813367696 INKRSFBYAFQZMU-UHFFFAOYSA-N 402.444 -0.527 50 20 HBGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1C[C@H](O)CN1)C2 1782178648 MQJXJNBWFHBUCQ-CGSPGFDNSA-N 403.907 -0.523 50 20 HBGD C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CN(C)NC(=O)NCc1ccccc1)CCO2 1783052530 AOSYPCKEZORPOD-OAQYLSRUSA-N 413.478 -0.204 50 20 HBGD Cc1nnc(CC(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)o1 1783933877 KNGXTLRYKDXWMU-GOSISDBHSA-N 408.459 -0.877 50 20 HBGD CC(=O)c1cc(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)n[nH]1 1783936822 VHRGJIWYDGKZFG-IBGZPJMESA-N 420.470 -0.571 50 20 HBGD CCC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@H](N)C(N)=O)C[C@@H]21 1784618298 JZTJBPSTMQPJSY-YTFOTSKYSA-N 402.923 -0.034 50 20 HBGD Cc1nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)co1 1786054110 AIHAZDRRDMFJCP-ZVZYQTTQSA-N 413.239 -0.430 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nccs3)C[C@@H]21)c1cccc(B(O)O)c1 1786984491 MOZFSXVETJQYKW-BPUTZDHNSA-N 415.280 -0.270 50 20 HBGD C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796189938 NCIHXONVGMFLJH-SJWGOKEGSA-N 422.312 -0.701 50 20 HBGD Cc1noc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnccc2C(=O)NN)C3)n1 1796254636 YTDPLVNNWCUANN-CLLJXQQHSA-N 413.438 -0.129 50 20 HBGD C[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1800201217 KKITWZYQLLBPMQ-IGNRKKQASA-N 424.885 -0.611 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@]1(C)CC1(F)F 1802005832 OCGXBZUOSODJSO-RBNVPPIJSA-N 402.442 -0.006 50 20 HBGD CN(C)C(=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834822584 WYQLMHFWVOQMCO-OAHLLOKOSA-N 406.277 -0.684 50 20 HBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)n[nH]3)CCO2)C1 1835859050 NEENYUBHPJWPLU-BONVTDFDSA-N 417.260 -0.031 50 20 HBGD CC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835929551 VNDKMQZRHOWPKZ-SFHVURJKSA-N 412.198 -0.908 50 20 HBGD CC(C)(F)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837457474 DIZQTUAJGOSXCA-IBGZPJMESA-N 423.445 -0.497 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)[C@@H](N)c2ccccn2)C1 1842929838 ULIURULWIGENRC-INIZCTEOSA-N 409.450 -0.403 50 20 HBGD O=C(NNC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)C(=O)NC1CC1 9889281 DYKFFIMLKBLGKV-UHFFFAOYSA-N 412.443 -0.348 50 20 HBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)CCN2CCCC2=O)CC1 735117585 YKQONVCSKFHBPW-UHFFFAOYSA-N 410.500 -0.527 50 20 HBGD COc1cc(OC)cc(C(=O)NNC(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)c1 753092751 GWLGBZQONSMIKQ-NSHDSACASA-N 400.457 -0.071 50 20 HBGD Cc1cc(NC(=O)CSCC(=O)NNC(=O)CNC(=O)c2cccnc2)no1 763824410 JRWLXEGJKQVULY-UHFFFAOYSA-N 406.424 -0.373 50 20 HBGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 764131136 FFCPLIIVUVGCKV-UHFFFAOYSA-N 424.417 -0.092 50 20 HBGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)ccc1OC(C)C 764230749 KSNIAJSYVWFGGA-NSHDSACASA-N 400.457 -0.194 50 20 HBGD Cc1ccccc1CC(=O)NNC(=O)CN1CCC(N2CCS(=O)(=O)CC2)CC1 766870165 OEYWGPUJJNTOML-UHFFFAOYSA-N 422.551 -0.120 50 20 HBGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1ccc(C(=O)O)c(F)c1 776763437 LNQXBYPAOJCFEN-UHFFFAOYSA-N 409.399 -0.051 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1C[C@]12CCN(C(=O)OC(C)(C)C)C2 781920616 PCJULARRQJJIPZ-USBNGQNGSA-N 404.489 -0.281 50 20 HBGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 794061205 URDIEAJRVZWZCX-UHFFFAOYSA-N 403.351 -0.170 50 20 HBGD Cn1c(=O)c2cc(C(=O)NNC(=O)Nc3ccc4c(c3)OCO4)n(C)c2n(C)c1=O 802101499 NYXVDRSUBPGTIS-UHFFFAOYSA-N 414.378 -0.229 50 20 HBGD O=C(C[C@@H]1CCCC(=O)N1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 807924478 KEMHVJBXBZENNR-AWEZNQCLSA-N 424.479 -0.473 50 20 HBGD Cc1nn(C)cc1S(=O)(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 808068774 HBYWGOIFTCEYEI-UHFFFAOYSA-N 401.470 -0.398 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F 810345856 SXSQSTXJVXDVEY-RNFRBKRXSA-N 406.383 -0.473 50 20 HBGD O=C(CC(F)(F)F)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1786688773 KBDVNKUTFJPASS-QEJZJMRPSA-N 414.189 -0.088 50 20 HBGD CC[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(N)=O)C[C@@H]21 1790962742 RWCWDDUPTQNPFJ-YFKTTZPYSA-N 405.293 -0.192 50 20 HBGD C[C@H](Br)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CNC1=O 1794014382 UUMWLMWSJLWPBD-MMWGEVLESA-N 401.261 -0.040 50 20 HBGD CC(=O)NCC(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807372378 DVMCACQPIJYTSD-XLIONFOSSA-N 424.266 -0.783 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CCC(=O)N3)CCO2)C1 1835315970 HOBYJTJXCXRBHS-CSMYWGQOSA-N 422.309 -0.042 50 20 HBGD O=C(Cn1ccccc1=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1835995668 TZBUZDXQSDGOMN-RDJZCZTQSA-N 401.822 -0.161 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)nc3O)C2)C1 1839144456 AIPRRFFLSCRYAY-PXAZEXFGSA-N 414.846 -0.025 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C13CC(C1)C3)CCO2 1840600299 ZPIHRPODVHCWAI-OAAAQFAESA-N 408.499 -0.384 50 20 HBGD O=C(CCC(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2)N1CCCC1 1841874087 RNQBWRCDYHEDNP-UHFFFAOYSA-N 413.283 -0.414 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2ccc3ncnn3c2)C1 1844140021 RMRMXDXSMGZWOK-UHFFFAOYSA-N 420.433 -0.141 50 20 HBGD CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 729274961 ICKTWRVSFDQSQL-BONVTDFDSA-N 409.468 -0.700 50 20 HBGD CC[C@H](N=c1nn[nH]n1-c1ccccc1)C(=O)NNC(=O)CNC(=O)c1ccco1 729530420 BWWCTHOFKNBPSP-ZDUSSCGKSA-N 412.410 -0.555 50 20 HBGD O=C(C[C@@H]1CN(Cc2ccccc2)CCO1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 746161767 AVXUSWRVMGGFEF-HZPDHXFCSA-N 410.496 -0.205 50 20 HBGD Cc1c(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cnn1-c1ccccc1 764227257 MHBOXEAPCOYHJI-JTQLQIEISA-N 408.440 -0.796 50 20 HBGD CCNS(=O)(=O)c1ccc(CNC(=O)NNC(=O)[C@H](C)OCCOC)cc1 764375131 VPHHQJZVAGQLOH-LBPRGKRZSA-N 402.473 -0.133 50 20 HBGD CN1CCC[C@H]1C(=O)N1CCN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1 767038443 SLFSZSGVIHYQQL-INIZCTEOSA-N 418.454 -0.406 50 20 HBGD COCCOc1ccc(F)cc1S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 786722746 MTWVTHIQLFAOJV-VIFPVBQESA-N 413.449 -0.902 50 20 HBGD Cn1nc(C(=O)NNC(=O)c2sccc2S(N)(=O)=O)c2ccccc2c1=O 799451679 CLGUKUSVQUWNBM-UHFFFAOYSA-N 407.433 -0.283 50 20 HBGD COCCN1C[C@H](C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1=O 914460136 TXZCLZCYBNYDJI-SNVBAGLBSA-N 418.859 -0.757 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3ncccn3)CCO2)C1 1779031216 NVGKLYBQBDNRCI-IBGZPJMESA-N 411.422 -0.768 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)C3=COCC3)CCO2)C1 1779033792 FBXXBGUHPPSVRY-IBGZPJMESA-N 401.423 -0.567 50 20 HBGD CC[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1783344018 XRFVPFLVAAIUBE-WBMJQRKESA-N 416.320 -0.170 50 20 HBGD C[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CN(C)C(=O)C(=O)O)CCO2)C1 1783535289 BGVFPGHCJRLYOH-BONVTDFDSA-N 420.260 -0.857 50 20 HBGD Cc1nn(C)cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1784727986 MYUSIQOVRMHALO-XIRDDKMYSA-N 420.514 -0.305 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ccccn1 1785933245 FJCBNUJLZMXICY-IEZWGBDMSA-N 409.251 -0.332 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccccc3O)C[C@@H]21)c1ccc(B(O)O)cc1 1786979561 YUYUOAALUXIANK-QSFXBCCZSA-N 424.262 -0.021 50 20 HBGD COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)cn1 1793573778 AZCNDBPHOQCFIN-CCWDJLKJSA-N 419.482 -0.334 50 20 HBGD Cc1n[nH]c(C)c1CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801012382 AZDYRNJRXBCOPF-YVWYUNDQSA-N 420.514 -0.468 50 20 HBGD O=C(CCN1CCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1802189159 IETZNVJFRCVGMK-XEMDLRDOSA-N 415.299 -0.945 50 20 HBGD CS(=O)(=O)CC(=O)N1CC[C@H](CNC(=O)[C@H](O)CCl)[C@@H]1c1cccnc1 1803138634 LWRHJFBZVSMIFI-NFAWXSAZSA-N 403.888 -0.268 50 20 HBGD Cn1ncnc1C(=O)N1CCCC2(CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1 1807951960 IHCQNKWRPUGVBV-UHFFFAOYSA-N 411.271 -0.347 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)[C@@H]2C=CCN2)[C@H]1c1cccnc1 1808224229 VNBMTZQRGYQBLH-FUHIMQAGSA-N 414.510 -0.012 50 20 HBGD CC(=O)N[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826089725 MLEURFVTJVBUCY-JQWIXIFHSA-N 424.527 -0.047 50 20 HBGD COc1nn(C)cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830725460 OOQFBBOYYFDIQC-GUYCJALGSA-N 416.862 -0.902 50 20 HBGD O=C1CC[C@H](C(=O)NC2CCN(C3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)CN1 1833118298 NNOATGAUUAXFAT-BBRMVZONSA-N 414.934 -0.316 50 20 HBGD COc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cn1 1834524872 AVIXWUHKZOLAFV-SUMWQHHRSA-N 414.846 -0.845 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCS(C)(=O)=O)C2)C1 1839148990 PMZVVHIEOCDDGU-CZUORRHYSA-N 410.920 -0.105 50 20 HBGD O=C(C1CC(O)C1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839198503 FZHKXGQPTLBHPW-WKQXJPDBSA-N 409.252 -0.096 50 20 HBGD C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1840173818 SJYXSCHWSQZKHC-LJQANCHMSA-N 403.439 -0.669 50 20 HBGD CN(C)c1ccc(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)nc1 1843013652 UOHXVAWRDDTHDU-UHFFFAOYSA-N 408.267 -0.042 50 20 HBGD NC(=O)[C@H]1CCCN(CCCNC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1 729494769 CFAKDBXBMWEQEH-AWEZNQCLSA-N 415.458 -0.806 50 20 HBGD NS(=O)(=O)c1ccc(NC(=O)C2CCN(CC(=O)NNC(=O)C3CC3)CC2)cc1 733193085 BCURGGZPBRPYCN-UHFFFAOYSA-N 423.495 -0.458 50 20 HBGD CCc1nsc(N2CCN(C(=O)NNC(=O)CNC(=O)c3ccco3)CC2)n1 743576571 GBKNEIOPAKRBAL-UHFFFAOYSA-N 407.456 -0.014 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 755366415 JJCDWHXYXUUZJP-SECBINFHSA-N 407.474 -0.973 50 20 HBGD CNC(=O)Cn1nc(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1C 763867884 YNBIUFZEQJRJSG-LLVKDONJSA-N 420.401 -0.370 50 20 HBGD Cc1ccc(C(=O)NNC(=O)CNC(=O)c2cccnc2)cc1NS(C)(=O)=O 764344612 FNTIIYSPFLDKRV-UHFFFAOYSA-N 405.436 -0.047 50 20 HBGD CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc2nc(O)[nH]c2c1 764819144 SQLGDTUPSUBTQE-UHFFFAOYSA-N 410.394 -0.444 50 20 HBGD NS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)CSc2ccccc2O)cc1 765404430 VCQKSZBAYQEPBC-UHFFFAOYSA-N 424.460 -0.082 50 20 HBGD Cc1ccc(C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3cc[nH]n3)CC2)cc1 809987983 SVMGUTLAMOSQGE-UHFFFAOYSA-N 406.468 -0.514 50 20 HBGD Cn1c(Cl)nc(Cl)c1C=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O 814784443 DONYLSBJRPWATN-UHFFFAOYSA-N 406.255 -0.238 50 20 HBGD Cc1cc(C)n(CC(=O)NNC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)n1 913081810 HRLRPVNMXLGRDT-OAHLLOKOSA-N 401.402 -0.093 50 20 HBGD O=C(CNC(=O)c1ccc(Br)o1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 920212400 ICMKUSHADHFVOZ-SSDOTTSWSA-N 423.245 -0.711 50 20 HBGD CCN1CCN(CC(=O)NNc2nc(Br)cn3ccnc23)C(=O)C1=O 1339984096 UDOSKEKERPKUOW-UHFFFAOYSA-N 410.232 -0.374 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)Cc3cnc[nH]3)CCO2)C1 1779030205 JMXGZZKUSKKAHI-LJQANCHMSA-N 413.438 -0.906 50 20 HBGD O=C(NCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl)c1ccc[nH]1 1792975285 MUKWMDUZYHUCEO-LMWOUKEDSA-N 412.874 -0.676 50 20 HBGD CN[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CBr)C2)C(=O)O 1795641557 RZHCYENIAIAJIE-HNRZYHPDSA-N 420.304 -0.330 50 20 HBGD CNC(=O)CC(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1803476554 NKSVQHGAUMUSNG-UZLBHIALSA-N 424.266 -0.783 50 20 HBGD CN(CC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](O)CCl)CC1)C(=O)C(=O)O 1824187340 CVKCXVZFCALNAO-KGLIPLIRSA-N 417.890 -0.251 50 20 HBGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(N)=O)C2)C1 1830543837 FAWBQVICVYMIRS-LRDDRELGSA-N 420.304 -0.261 50 20 HBGD O=C(CCCn1ccnc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830738076 LLGWHHBVLJKBEE-MAUKXSAKSA-N 414.890 -0.281 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NC(C)=O)CCO2 1831477545 HOGKWJUCIZXTID-KBXCAEBGSA-N 419.906 -0.389 50 20 HBGD O=C(C1CCC(CO)CC1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1832514075 JMHPCYQWUBAWTB-IADFQQGMSA-N 418.918 -0.159 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc[n+]([O-])cc3)CCO2)C1 1838340631 SNAQNWZTXNPGFP-CRAIPNDOSA-N 413.858 -0.356 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)n3cnnn3)C2)C1 1839149093 SYLXNJFUAQNTCZ-XEZPLFJOSA-N 400.867 -0.292 50 20 HBGD O=C(c1ncc(Cl)cn1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013650 TYUGCKPFYXEJGC-UHFFFAOYSA-N 400.631 -0.059 50 20 HBGD COCCOCCOCCOCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847563888 NJYGEVVJIDCWQR-HRCADAONSA-N 422.906 -0.516 50 20 HBGD CC(C)c1nc(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cccc(B(O)O)c2)no1 1848160269 DBRWOBHSWUBILJ-HOTGVXAUSA-N 412.255 -0.069 50 20 HBGD Cc1nc2nc(N)nn2c(C)c1CC(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1 732264323 SSQDOPRTSVUJIJ-PHIMTYICSA-N 404.475 -0.487 50 20 HBGD CC(C)CNC(=O)N1CCC[C@@H](CC(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)C1 741214606 YRFQLFRIQVWANL-KBPBESRZSA-N 417.532 -0.028 50 20 HBGD C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNC(=O)c1cnn(-c2ccccc2)c1 755371740 NZXWPXQJLFVJMJ-GFCCVEGCSA-N 417.451 -0.266 50 20 HBGD COc1cc(OCC(=O)NNC(=O)CNC(=O)c2cccnc2)ccc1[N+](=O)[O-] 763825683 VKEDZPPMQMEULB-UHFFFAOYSA-N 403.351 -0.045 50 20 HBGD C[C@@H](CNC(=O)C(=O)NNC(=O)c1ccc(COc2ccccc2)o1)S(N)(=O)=O 763950157 SFDKJFAXBUBXAC-NSHDSACASA-N 424.435 -0.587 50 20 HBGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)N1C[C@@H](C(=O)OC)Oc2ccccc21 764401365 VTPKOLKVXYITMV-RISCZKNCSA-N 409.395 -0.848 50 20 HBGD CS(=O)(=O)NCCNC(=S)NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 764499570 DFPXWDZLCNKVAX-UHFFFAOYSA-N 400.461 -0.126 50 20 HBGD CCO[C@H](C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1 766645707 VLGMHZDUNXXEBS-HNNXBMFYSA-N 414.422 -0.641 50 20 HBGD C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NNC(=O)Cc2ccccc2C)C1=O 767319726 PUIXPKADKXPBON-UHFFFAOYSA-N 416.390 -0.795 50 20 HBGD CN1CCN(C(=O)NNC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 807379326 XCKUPPFMHKZMHI-UHFFFAOYSA-N 414.444 -0.797 50 20 HBGD Cn1ncc2c(O)nc(NNC(=O)CNS(=O)(=O)c3c(F)cccc3F)nc21 810401512 UIRSPZNTVKUDDD-UHFFFAOYSA-N 413.366 -0.231 50 20 HBGD O=C(COc1cccc(N2CCCC2=O)c1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919883042 AFEISZNTAUNSBS-GFCCVEGCSA-N 410.452 -0.290 50 20 HBGD Cn1c(=O)c2ccc(C(=O)NNC(=O)NCCc3cccs3)nc2n(C)c1=O 920859516 RYSHXTOYNHCYTK-UHFFFAOYSA-N 402.436 -0.120 50 20 HBGD Cn1nc(C(=O)NNC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c2ccccc2c1=O 933535184 WXVNOELIUCKCTA-DPDCMNJDSA-N 421.413 -0.498 50 20 HBGD CC(C)O[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1779167453 BKINLXJBGHZWGW-VBKZILBWSA-N 419.482 -0.058 50 20 HBGD COC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)CO[Si](C)(C)C)C2)C1 1779298990 SMFDJNNVHPALAT-MAUKXSAKSA-N 415.563 -0.181 50 20 HBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(C1)CN(C(=O)C(O)O)CCO2 1780095155 HASAUXIOWYSAPA-GOSISDBHSA-N 423.378 -0.726 50 20 HBGD C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)n1ccnn1 1782762151 DXTITBBPFDWLPN-KBXCAEBGSA-N 407.475 -0.958 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn4ncccc4n3)C[C@@H]21)[C@@H](O)CCl 1784093098 PRMGDTHJWBAOFN-JURCDPSOSA-N 407.858 -0.078 50 20 HBGD C[C@H](C(=O)N1CC[C@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1)n1cnnn1 1784596672 CAYYLSYYAKAGEF-GIPNMCIBSA-N 405.228 -0.246 50 20 HBGD C[C@@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@H](O)CN3)[C@H]2C1 1789759609 JRVMJBSSWJOFBL-LZXPERKUSA-N 418.332 -0.280 50 20 HBGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)C3)C[C@@H]21 1791063684 PWEMUHLGTYPQAO-MOLYVOAJSA-N 402.289 -0.114 50 20 HBGD CC(=O)N[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl)C(C)(C)C 1792975332 QPPDJCNTZRVGSK-AICCOOGYSA-N 403.907 -0.274 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc([N+](=O)[O-])[nH]1 1798748909 FOOMVEMXUDAWLU-DPIQGUFMSA-N 422.442 -0.501 50 20 HBGD Cn1nncc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817473954 HXFYHWMRFSZMGI-HNNXBMFYSA-N 423.242 -0.162 50 20 HBGD COc1nn(C)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1833860382 JNNYCMBWGZGYNZ-DYVFJYSZSA-N 416.862 -0.902 50 20 HBGD O=C(C1CC(O)C1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839198501 FZHKXGQPTLBHPW-RJVJFLMVSA-N 409.252 -0.096 50 20 HBGD COc1ccc(C(=O)NNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cc1OC 18994888 ZRJGTGQAQLCYDD-UHFFFAOYSA-N 415.449 -0.026 50 20 HBGD Cc1nc(S(=O)(=O)NCCC(=O)NNC(=O)COc2ccccc2F)cn1C 726765135 FLUUSYOSURKUCI-UHFFFAOYSA-N 413.431 -0.238 50 20 HBGD CCS(=O)(=O)CC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 728216082 PULHBIQPXJWQKG-UHFFFAOYSA-N 404.514 -0.500 50 20 HBGD Cn1nc(SCC(=O)NNC(=S)NCc2cccs2)c(=O)n(C)c1=O 730595394 FQUYXGGBCDJLGT-UHFFFAOYSA-N 400.511 -0.672 50 20 HBGD COc1cccc(C(=O)NNC(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)c1O 738513824 QWCBTJOTBBOOKM-UHFFFAOYSA-N 413.390 -0.270 50 20 HBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2nccn3ccnc23)CC1 743419960 QPVCLWNPKKBJQA-UHFFFAOYSA-N 416.467 -0.183 50 20 HBGD C=CCN1C(=O)C(=O)N(CC(=O)NNC(=O)[C@H](C)Oc2ccc(OCC)cc2)C1=O 748546420 JPMBIRUFVRUWRQ-LBPRGKRZSA-N 418.406 -0.023 50 20 HBGD COCCO[C@H](C)C(=O)NNC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 748623803 YFVPVHIOBOLXLY-CYBMUJFWSA-N 421.454 -0.860 50 20 HBGD O=C(CNC(=O)c1ccco1)NNS(=O)(=O)c1cc(C(=O)O)cc(F)c1F 756936801 SXPPEAKJJFMDQH-UHFFFAOYSA-N 403.319 -0.005 50 20 HBGD CC(=O)c1cccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 765314027 ZFIFBSUBAMJHAV-UHFFFAOYSA-N 413.394 -0.511 50 20 HBGD Cc1csc(CC(=O)NNC(=O)CN2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1 767038485 VSQJZXMYZLNDTO-AWEZNQCLSA-N 408.528 -0.620 50 20 HBGD Cc1noc(C)c1S(=O)(=O)NCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 767934351 SAJPYZBOJXGOAD-CYBMUJFWSA-N 410.408 -0.443 50 20 HBGD CC(C)NC(=O)C(=O)NNC(=O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C 768919911 ALNDLQJNGKYHLZ-LBPRGKRZSA-N 401.464 -0.676 50 20 HBGD COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)NNC(=O)C(=O)NC(C)C)C1=O 771237256 YBCGJXQKFQTGMI-LJQANCHMSA-N 419.438 -0.557 50 20 HBGD CC(=O)NNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccccc1C(F)(F)F 785956696 VETPYUIXPXVXMO-SNVBAGLBSA-N 410.374 -0.215 50 20 HBGD CCN(CC)Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1 787888926 GHEWWHYTLNHERC-GFCCVEGCSA-N 413.500 -0.448 50 20 HBGD CS(=O)(=O)N[C@@H]1CCN(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1 793215811 PVNIKBILQWOPHL-CYBMUJFWSA-N 413.456 -0.723 50 20 HBGD CCn1c(=O)c(=O)[nH]c2cc(C(=O)NNC(=O)CCN3C[C@H](C)O[C@H](C)C3)ccc21 912918695 BYOAZYASVDIVNR-BETUJISGSA-N 417.466 -0.030 50 20 HBGD CC(C)NC(=O)C(=O)NNC(=O)CS(=O)(=O)Nc1ccc(OC(C)C)cc1 918477055 OYUKSROOFGJTAX-UHFFFAOYSA-N 400.457 -0.113 50 20 HBGD CCS(=O)(=O)N1CCC(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CC1 1321551772 UYOJHXJBQYDXPF-UHFFFAOYSA-N 424.527 -0.098 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)C3=COCCC3)CCO2)C1 1779034993 YURBGKREPPTAPX-FQEVSTJZSA-N 415.450 -0.177 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)C(Cl)Cl)C2)C1 1783947689 XTMMBIPTCGMJMX-MRXNPFEDSA-N 401.055 -0.386 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCOC3)C2)C1 1784718922 CSLAZONBNSHMID-ORAYPTAESA-N 403.439 -0.835 50 20 HBGD CC[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)CN3)C[C@@H]21 1790963176 NBBLMCRIIQFHOZ-SOAFEQHCSA-N 418.332 -0.138 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cncnc1 1795807800 HTTVVLDDIRERTD-CWPLJXCYSA-N 418.498 -0.628 50 20 HBGD C[C@H](NC(=O)c1cnccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Cl 1796366679 YQOCOXAQAASRSU-CVNCSBKSSA-N 413.837 -0.281 50 20 HBGD C[Si](C)(C)OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1797954710 BECUIDUPTBYMIB-JLVBRIDZSA-N 420.347 -0.579 50 20 HBGD CN(C)C(=O)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1806940939 WHYQEBLJKMVXEB-FUHWJXTLSA-N 424.266 -0.831 50 20 HBGD C[C@@H](NC=O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1830327084 PFOHEFPTURWMCT-BEFAXECRSA-N 415.299 -0.266 50 20 HBGD CN1CCCC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1830765296 NMNJSHFZCQRKQY-MPGHIAIKSA-N 403.907 -0.473 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)CC(N)=O)CCO2)C1 1831616012 PKWAISFBESFCHB-DCGLDWPTSA-N 405.879 -0.792 50 20 HBGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1831656286 CKSZZPCSDKEMHM-SUNYJGFJSA-N 401.891 -0.014 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)OC)CCO2)C1 1834857155 SBXPSRGBSDMPFG-GUYCJALGSA-N 406.863 -0.350 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cnnn3)CCO2)C1 1836149095 WQOCKUQKSOHHHB-GJZGRUSLSA-N 421.285 -0.634 50 20 HBGD O=C(c1cnn2c1CCC2)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839530753 HQCIWXQWVYOVEL-YJBOKZPZSA-N 412.874 -0.501 50 20 HBGD Cc1nccn1CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839711623 AUTFPSQDYDFRHD-PBHICJAKSA-N 400.863 -0.752 50 20 HBGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1840032411 XZVXFFUHOHVZFD-WQGACYEGSA-N 418.288 -0.495 50 20 HBGD O=C(NNC(=O)N1CCN(c2ncccn2)CC1)c1csc(N2CCOCC2)n1 9755815 DKVPIZAHCHJRBS-UHFFFAOYSA-N 418.483 -0.054 50 20 HBGD Cc1nn(C)c(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1[N+](=O)[O-] 728333636 KMVMBQBOIQAYTG-LBPRGKRZSA-N 419.350 -0.219 50 20 HBGD CCCCN1C(=O)c2ccc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc2C1=O 729277175 UDUVBTJHYONCJO-SNVBAGLBSA-N 410.452 -0.219 50 20 HBGD COc1ccccc1OCC(=O)NNC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 742471212 AWCXUEFHMUVTMN-KFZJALRRSA-N 403.391 -0.616 50 20 HBGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 744562512 LXJCANDQTJUKAE-DFEHZGFQSA-N 422.397 -0.330 50 20 HBGD Cn1cc(C(=O)NNC(=O)[C@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)cn1 746281631 FWOQOMFCNSDUBQ-OAHLLOKOSA-N 411.422 -0.269 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cnn(-c2ccccn2)c1C(F)(F)F 758049029 XUHRQYHQIBAIJR-MRVPVSSYSA-N 420.373 -0.015 50 20 HBGD Cc1cccc(O[C@H](C)C(=O)NNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)c1C 763841225 PBLXJWUZCRMRBX-CMPLNLGQSA-N 400.457 -0.989 50 20 HBGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cc(Cl)cc(C(N)=O)c1OC 793024893 HWEFGCLEVXNCLM-QMMMGPOBSA-N 416.818 -0.415 50 20 HBGD CC(C)[C@@H](O)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 794809914 NJQZUERAPNUPOF-QGZVFWFLSA-N 413.496 -0.196 50 20 HBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 807368419 DENUREVMPAXTIA-AWEZNQCLSA-N 400.476 -0.896 50 20 HBGD Cn1cc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)nc1Cl 1319282777 CAYZAFGXTLBFTK-UHFFFAOYSA-N 406.877 -0.010 50 20 HBGD C[C@H](C=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)CNC(=O)OC(C)(C)C 1330190403 HHOBRDRFWDIRFY-JTQLQIEISA-N 414.488 -0.166 50 20 HBGD C[C@@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1782181530 RZUZIZLWVYDPJF-VVFCZOMOSA-N 406.313 -0.188 50 20 HBGD CC[C@@H](NC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1786971743 ZLTZPOZUSCLYDA-SJWGOKEGSA-N 418.498 -0.724 50 20 HBGD Cc1nocc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786979555 XMEUTBAWDHMBAU-ZVZYQTTQSA-N 413.239 -0.430 50 20 HBGD Cc1n[nH]cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984916 YGSIIYKAXZDHRG-WBAXXEDZSA-N 412.255 -0.695 50 20 HBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)CCl)C(=O)C(=O)O 1792784543 KZFGTILUWBPPIS-PTEHBNRSSA-N 403.863 -0.616 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)c1 1796140359 LOIUVDAJPACIMD-IVWMJMPLSA-N 421.454 -0.931 50 20 HBGD N[C@@H](Cc1cscn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1796305124 WZUFCQXSSIHQSS-XASJZRDYSA-N 402.904 -0.798 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)c1ccco1)C2 1801009237 UJOYAIQQYOWEDA-GGNLRSJOSA-N 408.455 -0.724 50 20 HBGD CN(C)C(=O)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827050809 GNHPYYAVISRTSG-GOSISDBHSA-N 415.299 -0.312 50 20 HBGD CCN1CCC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)CC1 1830738700 RSLLWXUXGKTJAY-LPHOPBHVSA-N 417.934 -0.226 50 20 HBGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC[C@@H](N)C(N)=O)C2)C1 1831646696 MSGAXXGEXYSXFN-PMUMKWKESA-N 418.922 -0.557 50 20 HBGD O=C(CN1CCCC1=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1834623703 LPHYKPUGWPMJTO-INIZCTEOSA-N 414.934 -0.220 50 20 HBGD C/C=C(/C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835931939 IBWAHVFVTDDRTR-IBPVBLNFSA-N 402.256 -0.597 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1836137985 SSSAMSFXBYAALK-JKSUJKDBSA-N 420.297 -0.029 50 20 HBGD C[C@H](CC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](F)Br)CCO2)C1 1839199008 QDDCKDYLEPFHKB-GMXABZIVSA-N 424.267 -0.355 50 20 HBGD O=C(c1cc(O)ccc1O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839445728 IWQNWEVMHGMJFL-MAUKXSAKSA-N 414.842 -0.233 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)[nH]3)C2)C1 1840153087 CIZQOILOJSURST-MEDUHNTESA-N 402.835 -0.561 50 20 HBGD Cc1nc(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)c(=O)[nH]c1C 1842182507 YZKQJKONVYCKAO-UHFFFAOYSA-N 410.239 -0.803 50 20 HBGD CC(=O)NCC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013103 IEERXGXNTJPWAN-UHFFFAOYSA-N 401.272 -0.654 50 20 HBGD Cn1nc(SCC(=O)NNC(=S)NCCc2ccccc2)c(=O)n(C)c1=O 18945185 VBXKCOFQIDPHHQ-UHFFFAOYSA-N 408.509 -0.691 50 20 HBGD C[C@H]1CN(CCNC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CCO1 726254903 INJFEVFGMHMRIE-ZDUSSCGKSA-N 413.500 -0.398 50 20 HBGD CCOCC(=O)NNC(=O)C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1OC 764317813 OJENCDHVJKWZCN-UHFFFAOYSA-N 414.440 -0.742 50 20 HBGD CCOCC(=O)NNC(=O)C(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O 764325310 IYXKBLWQDAJDJX-UHFFFAOYSA-N 421.859 -0.114 50 20 HBGD COc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)ccc1Br 764432919 KGMTXTCBVTWLHI-NSHDSACASA-N 402.201 -0.041 50 20 HBGD COc1ccc(C(=O)NNC(=O)C(C)(C)O)cc1S(=O)(=O)N1CCOCC1 768259251 GROBHTKYHWJZNW-UHFFFAOYSA-N 401.441 -0.752 50 20 HBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cnc2c(c1CC)c(=O)n(C)c(=O)n2C 772211065 FCTIDFSRCKESHJ-SECBINFHSA-N 405.411 -0.703 50 20 HBGD COC(=O)CNC(=O)NNS(=O)(=O)c1cc(Cl)ccc1CS(C)(=O)=O 779846236 JXBMTLDNQXSIGM-UHFFFAOYSA-N 413.861 -0.450 50 20 HBGD CNS(=O)(=O)N1CCC(C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)CC1 802945384 CXLALVCFXSFQNU-UHFFFAOYSA-N 421.520 -0.385 50 20 HBGD COC(=O)c1cn(CCNC(=O)NNC(=O)C(=O)Nc2ccc(C)c(C)c2)nn1 807250738 KUBZDAWIPQSVTA-UHFFFAOYSA-N 403.399 -0.349 50 20 HBGD C[C@H]1CN(CCC(=O)NNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 912919106 JLNMCZCMQHBJQC-STQMWFEESA-N 407.427 -0.029 50 20 HBGD CCCn1nc(C(=O)NNC(=O)Cn2cnc([N+](=O)[O-])n2)c2ccccc2c1=O 918548419 DDSVHTMWUYBJAX-UHFFFAOYSA-N 400.355 -0.233 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)CSCC(=O)O)C2)C1 1783959744 HUYXWRDFVFGPLM-QGZVFWFLSA-N 416.500 -0.993 50 20 HBGD CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784089497 DNRPIBJONUZPAS-AJNGGQMLSA-N 400.907 -0.152 50 20 HBGD C[Si](C)(C)OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1nc(N)n[nH]1 1797624856 CGSGJJFCEUKBJD-DRXBFXEBSA-N 410.551 -0.239 50 20 HBGD CC(=O)NCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1821943768 FJFFHSISZWCXIU-MRXNPFEDSA-N 413.243 -0.469 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)c3ccc[nH]3)C2)C1 1835938088 KDCNVLRAKWVWFS-HXUWFJFHSA-N 413.239 -0.922 50 20 HBGD C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839173491 UJEUEXMAEPNRAP-RDTXWAMCSA-N 418.874 -0.448 50 20 HBGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840044037 IXLMCQUSOOPZOK-IAQYHMDHSA-N 403.229 -0.686 50 20 HBGD CCOC(=O)C1(C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)CC1 1844264995 INDPLEFHMBTBBO-UHFFFAOYSA-N 415.450 -0.155 50 20 HBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)cc1 740852496 CMLWNBRXXFUAEK-NSHDSACASA-N 414.484 -0.186 50 20 HBGD O=C(NNC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1)[C@@H]1Cc2ccccc2O1 748329508 LRAWPGJMIURPDI-INIZCTEOSA-N 415.450 -0.503 50 20 HBGD C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNC(=O)Cc1cn2ccccc2n1 755435414 BCULWEPTEBYYGV-NSHDSACASA-N 405.440 -0.875 50 20 HBGD O=C(c1ccc2nnc(O)n2c1)N1CCN(S(=O)(=O)CBr)CC1 758527113 HIJANRCRWQKNKX-UHFFFAOYSA-N 404.246 -0.125 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2cc(C)n(C)n2)cc1 763732839 GGEVCNDHQJYVAI-UHFFFAOYSA-N 422.467 -0.556 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc(Cl)c(F)c2)n(C)c1=O 765805847 SWJGXHLUAWLWBZ-UHFFFAOYSA-N 408.777 -0.313 50 20 HBGD CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)cc1 815778388 OWXRPKDCVMWQHU-BXUZGUMPSA-N 420.422 -0.367 50 20 HBGD CN1C(=O)CC[C@H]1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2 1780787415 PEGFUKUQANVSBV-UYAYXHRUSA-N 401.891 -0.279 50 20 HBGD CN[C@@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](Cl)COC)C1)C(=O)O 1782170352 IZWSBKHSYMXVHU-KYZVSKTDSA-N 419.906 -0.183 50 20 HBGD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)n[nH]1 1789305002 WJEDYHVTYVOGAY-ZVZYQTTQSA-N 412.255 -0.695 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1coc(Cl)n1 1794393912 MCUIMAMEHJESGJ-JJLQDPRZSA-N 419.630 -0.475 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2)[C@H](F)Cl 1796369560 BCPBINSKDTVLLS-DJBIQUGXSA-N 416.793 -0.120 50 20 HBGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H](NC)C(=O)O)C2 1800638890 CMDGBSWPROBADU-CYRBOEJBSA-N 420.304 -0.188 50 20 HBGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCN(C)CC1)C2 1800975680 QSTDXXQBNVMTPF-KYHPRHEASA-N 416.950 -0.533 50 20 HBGD C[C@H](C(=O)N1CC[C@H](CNC(=O)[C@H](O)CCl)[C@H]1c1cccnc1)n1cnnn1 1803146078 KELARJCHGROGPA-NMFUWQPSSA-N 407.862 -0.065 50 20 HBGD O=C1CN(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@@H](O)CCl)[nH]n2)C(=O)N1 1815664303 RJZHHVXMQJAKEL-MNOVXSKESA-N 412.834 -0.447 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCN3C)C2)C1 1840149907 AXMLRXWNLRVEPL-MPGHIAIKSA-N 403.907 -0.209 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2cnnc(Cl)c2)C1 1842124255 VMTXKMQQAHUDLO-UHFFFAOYSA-N 400.631 -0.059 50 20 HBGD C[C@@H](O)C(=O)N1CCCC12CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1846172436 KKOICSFIKXTYEE-OAHLLOKOSA-N 403.483 -0.083 50 20 HBGD Cc1cccc(N2CCN(S(=O)(=O)CC(=O)NNC(=O)c3cnn[nH]3)CC2)c1 729457216 DPTSYKWPUZNINB-UHFFFAOYSA-N 407.456 -0.974 50 20 HBGD C[C@H](C(=O)NNC(=O)COc1ccc(F)cc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 746095980 LCLJGLRAIDVWGV-YUHPLZMDSA-N 405.382 -0.097 50 20 HBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@@H](C)CN1CCN(c2ccccn2)CC1 748633931 UKCLLCDMURCDIV-JKSUJKDBSA-N 408.503 -0.026 50 20 HBGD Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1c[nH]c(C(=O)O)c1 750836402 FDSPPSSAPFSXGY-UHFFFAOYSA-N 415.453 -0.062 50 20 HBGD C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NNC(=O)C3CCCC3)CC2)C[C@@H](C)O1 753354847 NHUTULGDUHKJIQ-ZIAGYGMSSA-N 417.532 -0.111 50 20 HBGD Cc1c(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)nnn1-c1cccc2cccnc12 758043291 GONKTXTVVFYJTB-JTQLQIEISA-N 417.451 -0.177 50 20 HBGD O=C1CN(S(=O)(=O)c2cccc(C(=O)NNc3ncccc3[N+](=O)[O-])c2)CCN1 759290382 FVMUJTBINIDTEO-UHFFFAOYSA-N 420.407 -0.133 50 20 HBGD CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)CN(C)C)cc1 764212944 RMRLTQLGNUEZKF-NSHDSACASA-N 407.427 -0.985 50 20 HBGD CC(C)C[C@@H](C)n1nccc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764227631 OSNLLSWLHTWFOK-GHMZBOCLSA-N 402.477 -0.486 50 20 HBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)CCCCc2cnn[nH]2)CC1 768713468 YYESBPVRNGMLRT-UHFFFAOYSA-N 422.515 -0.008 50 20 HBGD CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1 770098597 KSURLZMPVXWOLV-CQSZACIVSA-N 410.452 -0.174 50 20 HBGD Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)CNC(=O)c2cccnc2)cc1 771045878 PYAUQCVYSQTAGU-ZDUSSCGKSA-N 419.463 -0.366 50 20 HBGD C[C@@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)n1cnc(C#N)n1 798346283 BRHHEQKCVMOXCY-LBPRGKRZSA-N 417.451 -0.044 50 20 HBGD C[C@H]1CS(=O)(=O)CCN1C(=O)NNC(=O)c1csc(N2CCOCC2)n1 1320935872 KAESAQVLGPEMSW-JTQLQIEISA-N 403.486 -0.547 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)C1CCOCC1)CCO2 1779030635 FCMIWBSAAFRXGD-HXUWFJFHSA-N 417.466 -0.445 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccon3)CCO2)C1 1779031428 SCZVBMHLNXYAIQ-SFHVURJKSA-N 400.395 -0.570 50 20 HBGD CC(=O)C[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779034025 ITXFHKNIJXCQOO-XCLFUZPHSA-N 417.466 -0.256 50 20 HBGD CO[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1782240681 MWJKEOVKEHNQCS-WIBUTAKZSA-N 404.272 -0.471 50 20 HBGD CN1CCC(CC(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)CC1 1783932943 LZUOOUMQHCBEHI-NRFANRHFSA-N 423.558 -0.079 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ccccn4n3)C[C@@H]21)[C@@H](O)CCl 1784091312 ZWHCJQVLFRFFJC-XUXIUFHCSA-N 407.858 -0.078 50 20 HBGD Cc1nccnc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984263 WKPVDJBQUIUFQG-SZMVWBNQSA-N 424.266 -0.628 50 20 HBGD CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Cl 1796363720 ZPQLLDHMDKJLRT-PPCPHDFISA-N 423.869 -0.004 50 20 HBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1CCOC1=O 1797168415 WAIQOTMXRSIMKU-QVHKTLOISA-N 403.863 -0.328 50 20 HBGD O=C1C[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](F)Br)C3)CCN1 1801069082 FCDMAAQJUWBSAE-QTCIEIIFSA-N 406.252 -0.207 50 20 HBGD CC(=O)N/C(C)=C/C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1801229673 IWQMNCYYCLLUCI-SJKWOIFFSA-N 414.466 -0.023 50 20 HBGD NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815348665 VRGUJXFZESHFSZ-GFCCVEGCSA-N 416.268 -0.686 50 20 HBGD CSCC[C@H](O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830738636 RGLYWULMQFEWDL-HEHGZKQESA-N 410.920 -0.844 50 20 HBGD Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)on1 1832563120 CWEFWDHJQZCSJT-PBHICJAKSA-N 401.847 -0.418 50 20 HBGD CN(C)C(=O)NCC(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1833143474 MKUMKXCGQZCIPG-HNNXBMFYSA-N 417.938 -0.571 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)nn3)CCO2)C1 1833837087 OGRRWWONQPNONW-SJCJKPOMSA-N 414.846 -0.494 50 20 HBGD CC[C@@H](NC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1835052504 BNZSMUWVKJFJCJ-HUUCEWRRSA-N 417.938 -0.395 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)C1 1835124527 HOBYJTJXCXRBHS-JCURWCKSSA-N 422.309 -0.042 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CC)NC(N)=O)C2)C1 1839144771 KGGDXULVQFTITC-OGHNNQOOSA-N 404.895 -0.093 50 20 HBGD C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1840179422 MIXSFRIJTJBXBZ-FVQBIDKESA-N 410.826 -0.407 50 20 HBGD CCO/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1840311449 SYIGFIHGQPRGLM-QPGLYAHGSA-N 412.487 -0.634 50 20 HBGD C[C@H](CBr)C(=O)N1CC2(CCCN2C(=O)CN(CCO)CCO)C1 1846032580 OICROKHNWIWSCB-CYBMUJFWSA-N 406.321 -0.493 50 20 HBGD CC1(C)NC(=O)N(CCCC(=O)NNC(=O)c2csc(N3CCOCC3)n2)C1=O 12804592 MRZXJOCKABIITI-UHFFFAOYSA-N 424.483 -0.149 50 20 HBGD COc1ccccc1OCC(=O)NNC(=O)NCCCN1CCC[C@H](C(N)=O)C1 729494581 YXKGAVSRHYLVGJ-AWEZNQCLSA-N 407.471 -0.008 50 20 HBGD Cc1nc2nc(N)nn2c(C)c1CC(=O)NNC(=O)CCN1C[C@H](C)O[C@@H](C)C1 732264325 SSQDOPRTSVUJIJ-QWRGUYRKSA-N 404.475 -0.487 50 20 HBGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 748557142 DMZNEHRTENUKIS-UHFFFAOYSA-N 406.420 -0.193 50 20 HBGD Cn1c(=O)n(C)c2cc(NC(=O)C(=O)NNC(=O)COc3ccc(C#N)cc3)ccc21 763682580 WUJREAGJUYYYMO-UHFFFAOYSA-N 422.401 -0.086 50 20 HBGD CNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)Cc2ccccc2OC)cc1 764136388 PVTRRFQIIJITMZ-UHFFFAOYSA-N 420.447 -0.068 50 20 HBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 764299070 CAJVLLDYRMQCLL-UHFFFAOYSA-N 404.420 -0.365 50 20 HBGD Cc1cc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)ccc1Cl 765729727 ZXVBOYXGRIAQQT-UHFFFAOYSA-N 404.814 -0.143 50 20 HBGD COc1ccc(-c2cc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)n[nH]2)cc1OC 768277015 OWRNDSNZZWYKRA-VIFPVBQESA-N 411.440 -0.207 50 20 HBGD C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)Cn1cc(S(N)(=O)=O)cn1 773171001 KGDCUDZERANXCZ-SECBINFHSA-N 401.832 -0.201 50 20 HBGD O=C(NNC(=O)C(=O)N1CCc2cc(Br)cc(F)c21)C(=O)NC1CC1 782965904 JVAOZSNWYZDVNT-UHFFFAOYSA-N 413.203 -0.097 50 20 HBGD C=CCS(=O)(=O)CCNC(=O)NNc1ccc(S(=O)(=O)NC(C)C)cn1 783297648 QPBBXRZIHWPVLN-UHFFFAOYSA-N 405.502 -0.005 50 20 HBGD COc1ccc2cc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)ccc2c1 806978209 QVVMJOCUPDRVIK-SNVBAGLBSA-N 408.436 -0.128 50 20 HBGD CN(NC(=O)COCc1nncn1C)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 816087707 JDIYFKCBBFDQBO-UHFFFAOYSA-N 411.463 -0.033 50 20 HBGD Cn1cnnc1SCc1ccc(C(=O)NNC(=O)CN2CCC(=O)NC2=O)cc1 1318409549 KUBHNOMXHIAVEM-UHFFFAOYSA-N 417.451 -0.190 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ncon1)C2 1782212049 DXICLNSIIYFBSW-FZKQIMNGSA-N 408.459 -0.430 50 20 HBGD CC(C)(C)OC(=O)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1783395454 PVEMTGXJMXZBSL-YVEFUNNKSA-N 405.879 -0.059 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1ccccc1=O)CCO2 1783933930 NPAFBDZCHGBEAO-HXUWFJFHSA-N 419.482 -0.949 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(=O)oc1)CCO2 1783936241 JJMQSEWBBLNOMW-IBGZPJMESA-N 406.439 -0.544 50 20 HBGD CN(C)c1ncc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)CCl)C[C@@H]32)o1 1785881560 DBPZRJOQWDPXGA-RVMXOQNASA-N 400.863 -0.066 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@H](N)C(N)=O 1795635688 HLPQOKKRJFLXEY-JZHJWMIFSA-N 409.314 -0.595 50 20 HBGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1)n1ccnc1 1795737657 GYNGRSVRWFKQEM-NYCLONFESA-N 412.255 -0.973 50 20 HBGD CCNC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](Cl)COC)C2 1797698048 WLLIIRDACVNZAO-PEBLQZBPSA-N 404.895 -0.463 50 20 HBGD Cc1nccnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1798281107 QWTXEQLCNBNFSE-ZSBFGKGUSA-N 404.471 -0.639 50 20 HBGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCNC(=O)C1 1801070651 HKLLGYLNIPWWCH-GHMOJZLGSA-N 402.289 -0.114 50 20 HBGD CN(C)C(=O)NCC(=O)N1CC[C@H](CNC(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1 1803137058 HSDKFLGVJDAEOB-YCPHGPKFSA-N 411.890 -0.042 50 20 HBGD Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)on1 1832563122 CWEFWDHJQZCSJT-WMLDXEAASA-N 401.847 -0.418 50 20 HBGD O=C(CCc1cn[nH]c1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1832933505 HFJWZAMSIIJIDN-YOEHRIQHSA-N 400.863 -0.602 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncn3C)C2)C1 1840149794 AFNDMNNTDIQQIS-SUMWQHHRSA-N 400.863 -0.256 50 20 HBGD O=C1CC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C(Cl)Cl)CCO3)C2)CN1 1840187025 HWQUHENEHRDAOS-ZBEGNZNMSA-N 408.282 -0.227 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CCC(=O)N2)C1 1842736273 QOYQOZRTNIWNQH-OFJBCHTGSA-N 400.439 -0.398 50 20 HBGD N[C@@H](CC(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cccnc1 1842975734 LZLBXYFGHFGMGA-SFHVURJKSA-N 408.267 -0.332 50 20 HBGD C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1845187946 NRIQNINCSYLWLJ-UHFFFAOYSA-N 400.240 -0.307 50 20 HBGD O=C(CNC(=O)NCc1ccc(Cl)cc1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 727373963 JJQKHHVKLCJTKD-LBPRGKRZSA-N 417.875 -0.343 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 728510126 ULVWRAGZSGYNTN-JTQLQIEISA-N 404.470 -0.939 50 20 HBGD O=C(CCNC(=O)NNC(=O)[C@H]1Cc2ccccc2O1)N[C@@H]1CCS(=O)(=O)C1 748330943 SYIRCVOLONGDIY-TZMCWYRMSA-N 410.452 -0.986 50 20 HBGD CCn1nc(C(=O)NNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)c2ccccc2c1=O 748524688 TXUCNPGNAGCTOL-NSHDSACASA-N 409.406 -0.046 50 20 HBGD COc1ccc([C@H](CC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)NC(C)=O)cc1 758035002 JEQDGPRFFOZHND-HZMBPMFUSA-N 400.457 -0.652 50 20 HBGD COC(=O)c1cn([C@@H]2CCN(CC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)C2)nn1 760888930 SIUPQBUBIAQQIN-CYBMUJFWSA-N 417.382 -0.319 50 20 HBGD CC[C@H](N=c1nn[nH]n1-c1ccccc1)C(=O)NNC(=O)CNC(=O)OC(C)(C)C 778438738 WIQMRHYYRFAKRA-ZDUSSCGKSA-N 418.458 -0.053 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1cccc2c1OCCC2=O 784005095 ZYUSJOPUAGPDQM-UHFFFAOYSA-N 400.347 -0.239 50 20 HBGD C[C@@H](CN(C)C)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 807576028 LXVFABOSVSYGAO-ZDUSSCGKSA-N 413.500 -0.398 50 20 HBGD CC(=O)N(c1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)cc1)[C@H]1C[C@H]1C 815570957 PXTKHPSJXKYRGJ-RLCCDNCMSA-N 404.423 -0.051 50 20 HBGD COc1ccc(S(N)(=O)=O)cc1C(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1 912918845 FLZUMKVEZOXFON-TXEJJXNPSA-N 414.484 -0.397 50 20 HBGD CN(C)N(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@@H]1CCS(=O)(=O)C1 1324348020 DULIUXLQGBPXQU-CQSZACIVSA-N 414.509 -0.016 50 20 HBGD CC[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCO2)C1 1783350725 APKIDQRHPUYAPH-RSUWNVLCSA-N 404.305 -0.287 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(=O)n4[nH]cnc4n3)CCO2)C1 1783875547 OFUBYZUUAXJPDD-DIFFPNOSSA-N 424.845 -0.885 50 20 HBGD Cc1oncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1786119567 YNWFMKIIFMKTDK-WBAXXEDZSA-N 413.239 -0.430 50 20 HBGD COC(=O)C12CC(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)[C@@H](O)CCl)C[C@@H]43)(C1)C2 1791013385 UCVKSLOPUQXEOX-MQGLGVLZSA-N 414.886 -0.091 50 20 HBGD C[C@H](NC(=O)c1cnccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Cl)C2 1797868174 LLJDAGZZJRSMBL-CVNCSBKSSA-N 413.837 -0.281 50 20 HBGD CC(=O)NCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827060745 ZVFXWBCUXLJPAO-IBGZPJMESA-N 415.299 -0.264 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cnccn3)CCO2)C1 1830970146 VHWRNSVWKWCZCF-CRAIPNDOSA-N 412.874 -0.271 50 20 HBGD CCCNC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1831193632 XZMRGVHXBLEHJA-KDOFPFPSSA-N 419.906 -0.651 50 20 HBGD C[C@H](CBr)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](N)CN)CC2)CC1 1833263116 BARFOBOFJFONOT-DOMZBBRYSA-N 418.380 -0.125 50 20 HBGD CC(C)/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835934546 XRLNVKQPUQDHOC-OYCQWZNWSA-N 416.283 -0.351 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)CCC(N)=O)C2)C1 1839143579 AXNYNCDTWZXDRJ-GDZNZVCISA-N 404.895 -0.947 50 20 HBGD CCOC(=O)O[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014793 CEMNRRKXCQHCKI-ZDUSSCGKSA-N 404.228 -0.255 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)[C@H]1CCNC(=O)C1)C2 1843417109 WTHXOBHGKCIESF-WQEJZQBCSA-N 414.466 -0.150 50 20 HBGD O=C1Cc2cc(C(=O)N3CCCC34CN(C(=O)c3ccc(B(O)O)cc3)C4)ccc2N1 1844005161 WNDPUFXGGXSKQU-UHFFFAOYSA-N 419.246 -0.008 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cc(C(=O)O)cc2c1CCC2 728509819 OWKMOUQDVNISLZ-MRVPVSSYSA-N 405.454 -0.879 50 20 HBGD NC(=O)c1ccc(N2CCN(C(=O)NNC(=O)CNC(=O)c3ccco3)CC2)cc1 735513969 WZZQUOGSZSLOSD-UHFFFAOYSA-N 414.422 -0.329 50 20 HBGD CC(C)(NS(C)(=O)=O)C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 742033550 RZUGTBHVXFHLFC-UHFFFAOYSA-N 411.528 -0.326 50 20 HBGD CC(C)N1C[C@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1=O 750644370 RBYCIRVUYWHJDK-CYBMUJFWSA-N 411.484 -0.110 50 20 HBGD COc1ccc(C(=O)NNC(=O)CN[C@@H](CC(N)=O)C2CCOCC2)cc1OC 754503516 VAXLZZJCYVEJTR-AWEZNQCLSA-N 408.455 -0.275 50 20 HBGD CCOc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1OCC 764231711 OYFPIXNYMALDNP-SNVBAGLBSA-N 416.456 -0.492 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2ccc(-n3ccnc3)cc2)n(C)c1=O 764812938 STZBEIAKLWUMHP-UHFFFAOYSA-N 406.406 -0.230 50 20 HBGD CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNc1nccnc1OC)CC2 766263820 BTPPLJSRMWDQMC-UHFFFAOYSA-N 420.451 -0.184 50 20 HBGD CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)C2=O 768925313 LWWUCHRZFHMYLM-DIFFPNOSSA-N 414.484 -0.541 50 20 HBGD COCCOc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)cc1 784004174 JVXLDJRFQDHCSB-UHFFFAOYSA-N 404.379 -0.179 50 20 HBGD O=C(c1cnc2c(c1)CCNCC2)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1782725756 JEMSXGFHTFTDMK-PXNSSMCTSA-N 422.913 -0.187 50 20 HBGD Cc1cc(CC(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)n[nH]1 1783934315 DPWMWDQSXDUGKK-IBGZPJMESA-N 406.487 -0.536 50 20 HBGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]2C1 1786803426 QLCNXVYSLPLMLO-VLJOUNFMSA-N 419.320 -0.658 50 20 HBGD O=C1Cc2cc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@@H](O)CCl)ccc2N1 1792981798 WCJVXAGXVYUYPY-YXPYIKCWSA-N 407.854 -0.016 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C13CC(F)(C1)C3)C2)c1cccc(B(O)O)c1 1795737748 PNTZQRRNBDVMAH-KYNXIJSSSA-N 402.231 -0.538 50 20 HBGD CC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2 1799270308 XFJBACZIKDXHKP-WJZNIJOASA-N 409.834 -0.967 50 20 HBGD CNC(=S)NCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)Br 1800759226 LHNJFJVUONOZCQ-HNCHTBHHSA-N 421.361 -0.157 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C2 1801011865 MSGDNTJXPFSCKP-DPIQGUFMSA-N 422.442 -0.501 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H]3C[C@H](O)CN3)sc2C1 1822617081 GHVNYTFGKJNXHD-MDZLAQPJSA-N 424.527 -0.849 50 20 HBGD NC[C@H](N)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](F)Br)CC2)CC1 1835068268 XTOFNBAZVKYSOZ-QWHCGFSZSA-N 408.316 -0.466 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C(\C)NC(C)=O)CCO2)C1 1839648893 NLBRETBVNRTBOW-GDOYJWRKSA-N 417.890 -0.264 50 20 HBGD CN1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCBr)C3)C2)C1 1840569457 CHTPHFRCMNEVOZ-MRXNPFEDSA-N 404.305 -0.211 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)NCc1ccc(N2CCOCC2)nc1 725859595 XZJHYFRPPWEUAL-UHFFFAOYSA-N 402.411 -0.228 50 20 HBGD C[C@H]1Cc2cc(C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)ccc2N1S(C)(=O)=O 728384603 GIHBSFGDSLIZKZ-JQWIXIFHSA-N 415.493 -0.407 50 20 HBGD CNS(=O)(=O)C[C@H]1CCCN1CC(=O)NNC(=O)c1ccc(OC)c(OC)c1 749851000 TUFXPGASRUZJHB-CYBMUJFWSA-N 414.484 -0.522 50 20 HBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)Nc1ccc(CC(=O)N2CCOCC2)cc1 755862878 WLJYGNBMRBFHDQ-CQSZACIVSA-N 424.479 -0.325 50 20 HBGD CCOc1ccccc1C(=O)NCCCC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758051939 HTJOZYTYURUOEO-GFCCVEGCSA-N 414.484 -0.320 50 20 HBGD Cn1cnn(-c2ccc(NC(=O)C(=O)NNC(=O)c3ccc4c(c3)OCO4)cc2)c1=O 763547580 FNEBRGGOQUZAFH-UHFFFAOYSA-N 424.373 -0.301 50 20 HBGD CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NNC(=O)c1ccc[nH]1 763980556 XWPPXXDYNKRGBV-UHFFFAOYSA-N 405.436 -0.385 50 20 HBGD CNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2O)cc1 764275590 OEFWRGVSMTVQBE-UHFFFAOYSA-N 422.419 -0.535 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)/C=C\SCc2ccco2)n(C)c1=O 765730975 QEDSGLRKAVCVTK-ALCCZGGFSA-N 418.435 -0.379 50 20 HBGD CN1CC[C@H](C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)CC1=O 765738845 PEQIEECSHUOBBM-INIZCTEOSA-N 401.467 -0.540 50 20 HBGD C[C@H]1CCCN(C(=O)C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)C1 768068811 ABHRITMNGMRVSZ-INIZCTEOSA-N 415.494 -0.150 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cc(F)ccc1Br 771905108 YYKONQDFJGBNSL-ZCFIWIBFSA-N 418.266 -0.165 50 20 HBGD Cn1c(=O)n(C)c2cc(S(=O)(=O)NNC(=O)CNC(=O)OC(C)(C)C)ccc21 777940404 KUTWKXPBEPARMW-UHFFFAOYSA-N 413.456 -0.289 50 20 HBGD COCCO[C@@H](C)C(=O)NNC(=O)NCc1cccc(S(=O)(=O)N(C)C)c1 782768570 NNHRVBOYLRYNSW-LBPRGKRZSA-N 402.473 -0.181 50 20 HBGD CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NNC(=O)Cc2ccccn2)cc1 810350039 UFAVCOVNSUAVFX-UHFFFAOYSA-N 405.436 -0.292 50 20 HBGD O=C(CNC(=O)c1cccnc1)NNC(=O)CNS(=O)(=O)c1ccccc1F 810571776 DJCHCMDFILJIPR-UHFFFAOYSA-N 409.399 -0.924 50 20 HBGD COc1ccc(Br)c(C(=O)NNC(=O)C[C@H](NC(C)=O)C(N)=O)c1 1116179714 CKYURZGBVKAEQK-NSHDSACASA-N 401.217 -0.401 50 20 HBGD Cn1c(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)cnc1Cl 1116263229 BAVXNZYYVPLKOM-UHFFFAOYSA-N 406.877 -0.010 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1783879042 NTIANFLXQNEHDB-HZMBPMFUSA-N 415.796 -0.251 50 20 HBGD CC(C)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@H]3NC(=O)NC3=O)[C@H]2C1 1785149087 FXWPJHUBNJMABB-RVMXOQNASA-N 414.890 -0.171 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)C1CCOCC1 1786610732 XAZWZJYIUBSAQE-WDSOQIARSA-N 416.283 -0.614 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCOC3)C[C@@H]21 1791292324 NSLAFHQKEFEILI-YVSFHVDLSA-N 410.515 -0.234 50 20 HBGD CCC(=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796443768 ILDVYADMCISSRR-HKENYVDXSA-N 403.439 -0.311 50 20 HBGD C[C@]1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)CCCN1 1799217349 UVFOJSGYFWXRIE-XBMZAUBUSA-N 416.482 -0.970 50 20 HBGD CS(=O)(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2 1801530381 XRKORKFSZZGVNG-GNXNZQSNSA-N 411.318 -0.204 50 20 HBGD NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1812629228 VYWNKFGAGAWSIF-JXFKEZNVSA-N 424.266 -0.654 50 20 HBGD CNC(=O)CC(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813069516 YSQFZATWOUCEQG-MGPUTAFESA-N 418.498 -0.404 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ncccn3)CCO2)C1 1833170612 NGBLEJRNSQHGHN-KSSFIOAISA-N 412.874 -0.271 50 20 HBGD C[C@@H](C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1)n1cnnn1 1833313189 YWTKLWIVVFEQGV-WFASDCNBSA-N 413.910 -0.595 50 20 HBGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CNC(=O)O3)CC2)CC1 1833513926 WZDLMHBBGMJEAI-GJZGRUSLSA-N 416.906 -0.080 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3cnnn3)C2)C1 1839149092 SYLXNJFUAQNTCZ-WWGRRREGSA-N 400.867 -0.292 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccnn3)C2)C1 1839151855 GAOFGUMWXZCGHF-JKSUJKDBSA-N 420.297 -0.029 50 20 HBGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)Cc2ccc(S(N)(=O)=O)cc2)c1 728312567 XVMVDQDCXYCWEB-UHFFFAOYSA-N 411.461 -0.259 50 20 HBGD COc1ccc(C(=O)NNC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1OC 742473178 WEJMXQULOULKQZ-BHTHQVBYSA-N 403.391 -0.373 50 20 HBGD CSc1nnnn1-c1cccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 755735685 ZAGWVTYORKMMQS-QMMMGPOBSA-N 414.473 -0.525 50 20 HBGD N#Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)cc1 763674293 OHLASLSQPOSARX-UHFFFAOYSA-N 424.352 -0.162 50 20 HBGD Cc1cc(N2CCCC2)ccc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 764227439 OGDYBALUDOHZTC-LBPRGKRZSA-N 411.484 -0.381 50 20 HBGD CNC(=O)c1ccc(Cl)c(NC(=O)C(=O)NNC(=O)[C@@H](C)OCCOC)c1 764401003 SFROKYROLCWEET-SECBINFHSA-N 400.819 -0.163 50 20 HBGD C[C@H](Cc1ccc(F)cc1)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765730809 OJRDTABMWYGNDR-LLVKDONJSA-N 416.413 -0.401 50 20 HBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)CN1CCCCCC1=O 766639760 AIDGCZXNYGLCOC-UHFFFAOYSA-N 415.494 -0.006 50 20 HBGD Cc1[nH]c2ccccc2c1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 766640696 VUSXVYPASYKOGW-UHFFFAOYSA-N 409.406 -0.315 50 20 HBGD COC(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)c1 784003928 FUUTUFDJYZNWHN-UHFFFAOYSA-N 402.363 -0.109 50 20 HBGD CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)c1 815778580 YGMWSKAUZKAGIV-GFCCVEGCSA-N 402.404 -0.659 50 20 HBGD O=C(c1cc(=O)nc2cccnn12)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1780058266 UCZLUVNZUBQCIT-ACJLOTCBSA-N 421.841 -0.867 50 20 HBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(F)CCC1)C2 1797754136 MMPIWTKWHCZWBH-JJLQDPRZSA-N 405.430 -0.220 50 20 HBGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)C1 1800529319 HDFPHSQMNCEMNF-HNRZYHPDSA-N 402.289 -0.114 50 20 HBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1CNC(=O)C1)CC2 1826089834 PUNVGOJVQMDGJK-WDEREUQCSA-N 422.511 -0.436 50 20 HBGD CC(C)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1830353940 NKMZYCPVMVVAOR-SJCJKPOMSA-N 403.863 -0.184 50 20 HBGD Cn1cc(F)cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830727667 AQZKDNAXIJNANR-RHSMWYFYSA-N 403.838 -0.166 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H](O)CN2)CC1 1831873953 HLZWZCCPULZKPH-OKZBNKHCSA-N 423.558 -0.298 50 20 HBGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)Cn1ccnn1)CCO2 1836206732 DKVNBKAGQADXQM-OAHLLOKOSA-N 416.276 -0.481 50 20 HBGD C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1)N1CCN(C)CC1 1839105667 ZZSGGXDNPZHIOJ-RLFYNMQTSA-N 420.913 -0.387 50 20 HBGD CCCNC(=O)CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnccc1C(=O)NN 1847745802 KOXGXIMUNYPNFB-HOTGVXAUSA-N 416.482 -0.193 50 20 HBGD COc1ccc(N2C[C@@H](C(=O)NNC(=O)C(=O)N3CCCC3)CC2=O)c(OC)c1 748247518 PKRJSYILQVITJU-LBPRGKRZSA-N 404.423 -0.174 50 20 HBGD O=C(CCc1ccccc1)NNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 749804290 URQWTBJNPJDBFL-AWEZNQCLSA-N 406.464 -0.068 50 20 HBGD O=C(COC(=O)C[C@@H]1CCS(=O)(=O)C1)NNC(=O)[C@H]1COc2ccccc2O1 750004990 PWEGZAXKYLAJBQ-SMDDNHRTSA-N 412.420 -0.658 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cccc(N2CCCS2(=O)=O)c1 755889767 LNJOYZQJAAYUAQ-JTQLQIEISA-N 419.485 -0.683 50 20 HBGD COCCNC(=O)Cn1cc(NC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cn1 756837010 DMBHWZPGWAGCMI-OAHLLOKOSA-N 418.410 -0.362 50 20 HBGD Cc1cccc(Cn2nccc2NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 764230314 HDRJXXOVUXNNMF-LBPRGKRZSA-N 422.467 -0.737 50 20 HBGD CCc1cccc2c1NC(=O)C2=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 764818243 SVOCCZGMLKSNGC-UHFFFAOYSA-N 409.406 -0.531 50 20 HBGD Cc1ccc(C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)c(O)c1 770994108 XGIPISQJBVKDAL-NSHDSACASA-N 420.447 -0.072 50 20 HBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)[C@@H]1CCCCS1(=O)=O 773389089 FDEPUTOLFCIICM-INIZCTEOSA-N 422.507 -0.441 50 20 HBGD COc1cc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)ncn1 797369199 QCTAOQSOCITHQO-UHFFFAOYSA-N 402.367 -0.503 50 20 HBGD C#CCNC(=O)C1CCN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1 1324001596 SFGNDXHOOGRDQF-UHFFFAOYSA-N 420.495 -0.205 50 20 HBGD Cc1nnc(CC(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)o1 1783933878 KNGXTLRYKDXWMU-SFHVURJKSA-N 408.459 -0.877 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc[n+]([O-])cc1)CCO2 1783935363 NOQYHLXNPJOYPI-IBGZPJMESA-N 405.455 -0.864 50 20 HBGD Cc1n[nH]c(C)c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1788818634 JZXUOFDCKGMIAC-JYJNAYRXSA-N 420.514 -0.007 50 20 HBGD C[C@@](O)(CC(=O)O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1791279819 FNJPZMKQPQVKKP-QLLRCSDMSA-N 406.863 -0.818 50 20 HBGD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1)n1cccc1 1795736874 OWHMNGHSZSGUAJ-RMRDIRSESA-N 411.267 -0.368 50 20 HBGD O=C(Nc1cccnc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796188904 ZIJGQXUYLVBXIF-BCDXTJNWSA-N 422.250 -0.348 50 20 HBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1csnn1)C2 1797748744 ZMPBJLGLYCQMIQ-WDAIWFPHSA-N 417.451 -0.946 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc(O)cn1)c1cccc(B(O)O)c1 1803135401 XJWDIWHCQOVFOO-BCDXTJNWSA-N 409.251 -0.039 50 20 HBGD COC[C@H](Cl)C(=O)N[C@H]1CCc2nc(NC(=O)CC[C@@H](N)C(N)=O)sc2C1 1815068038 LLGBPODLCZUMKC-LPEHRKFASA-N 417.919 -0.098 50 20 HBGD O=C(CN1CCSCC1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1829705311 DYOQWJXSASDTLV-RHSMWYFYSA-N 421.947 -0.909 50 20 HBGD Cn1nncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1833235426 MTKRMMJIDPOYRZ-RISCZKNCSA-N 420.239 -0.424 50 20 HBGD Cn1nc(C(=O)N2CCC(N3CCC(NC(=O)[C@H](O)CCl)CC3)CC2)cc1O 1833307927 DTAQTEPQEPFGBC-OAHLLOKOSA-N 413.906 -0.089 50 20 HBGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(C)=O)CCO2)C1 1839861001 ZNDRRJSLHXHVON-CZUORRHYSA-N 420.304 -0.248 50 20 HBGD CN[C@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2)C(=O)O 1840188265 ZNUHJATUFDXDPL-MEBBXXQBSA-N 412.270 -0.691 50 20 HBGD CC[C@H](NC(C)=O)C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1841087522 PREQWFZIESBKMU-HNNXBMFYSA-N 402.455 -0.583 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)CN1CCCCC1)C2 1844263933 MHDFYMZCUJGUNS-UHFFFAOYSA-N 400.483 -0.012 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)C1 1846561502 JRUIAEAIYXDMFS-HUUCEWRRSA-N 411.890 -0.086 50 20 HBGD CCS(=O)(=O)N1CCC[C@H](C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)C1 728846947 XMLQTOANSQIZBW-HNNXBMFYSA-N 424.527 -0.098 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc2c(c1)OC(C)(C)O2 764233315 USYICKGUUMIWSY-QMMMGPOBSA-N 400.413 -0.783 50 20 HBGD Cn1cnc2c1c(=O)n(CC(=O)NNC(=O)CSc1ccccc1O)c(=O)n2C 765249171 PHUQPOJUEFRQQL-UHFFFAOYSA-N 418.435 -0.921 50 20 HBGD Cn1cc(S(=O)(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)cc1C(N)=O 771607684 QDWCNRNNUVVMBU-UHFFFAOYSA-N 413.843 -0.597 50 20 HBGD CN(NC(=O)c1cn(C)c(=O)nc1O)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 776202833 XXVDUCQKSYRJEF-UHFFFAOYSA-N 410.431 -0.265 50 20 HBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F 784914828 AVEHHZNBMUWPHQ-UHFFFAOYSA-N 401.420 -0.003 50 20 HBGD CC(=NNC(=O)[C@H]1CCc2nncn2C1)c1ccc(S(=O)(=O)NCC(=O)O)cc1 793135038 SQHXCTXBIXXHSI-ZDUSSCGKSA-N 420.451 -0.256 50 20 HBGD COC(=O)[C@@]12CCOC[C@@H]1CN(CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C2 796523220 XDDWQGJZYYSCDX-SCLBCKFNSA-N 406.395 -0.133 50 20 HBGD N#Cc1ccc(OCC(=O)NNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 913455275 YIZHCANZYUHJTE-UHFFFAOYSA-N 413.415 -0.065 50 20 HBGD CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NNC(=O)CN2CCCC2=O)c1 920826992 QNXUXGUNDSJLOV-UHFFFAOYSA-N 410.452 -0.673 50 20 HBGD CC[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1783344008 XRFVPFLVAAIUBE-BLLLJJGKSA-N 416.320 -0.170 50 20 HBGD COc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)ccn1 1783935233 PDLCPBFGWZCVCR-FQEVSTJZSA-N 419.482 -0.093 50 20 HBGD COC(=O)C12CC(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]4C3)(C1)C2 1784094504 OSGKJYFYSSJDCJ-DUGJLFPFSA-N 414.886 -0.091 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)C3=COCC3)C2)C1 1784763947 NARSGOHUYFKYAK-IBGZPJMESA-N 401.423 -0.567 50 20 HBGD CC[C@@H](C)[C@@H](N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1786817517 RATBTUFLASRDCT-ZAMIHWKFSA-N 417.315 -0.667 50 20 HBGD CC(=O)C[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786986512 KBERUTNGNIUQDI-JXIYXGQPSA-N 416.283 -0.425 50 20 HBGD COC(=O)C1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)CC1 1801704824 CXAFKNGURJBJEH-MUJYYYPQSA-N 400.240 -0.429 50 20 HBGD O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830730630 BPVCFFVGARSMNG-MLGOLLRUSA-N 416.818 -0.407 50 20 HBGD O=C(c1cccc(F)n1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830732041 TVGYAXKLEJTVCX-SUMWQHHRSA-N 401.822 -0.110 50 20 HBGD Cc1noc(C)c1CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1832551414 NACAAWNBTXVKOL-QAPCUYQASA-N 415.874 -0.110 50 20 HBGD COCC(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834801015 HOLUSEYRRJCMNV-UHFFFAOYSA-N 403.288 -0.802 50 20 HBGD O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837559766 GYMQTRXEGLUNAQ-HIUPBNLLSA-N 413.858 -0.245 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2cnn3ncccc23)C1 1843308709 BGVTXELOTFNYDQ-UHFFFAOYSA-N 420.433 -0.141 50 20 HBGD CC(=O)N[C@@H](C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(B(O)O)c1)C(C)(C)C 1847707364 LWVMOWZETYHGSN-BZSNNMDCSA-N 415.299 -0.267 50 20 HBGD CCNS(=O)(=O)c1ccc(F)c(C(=O)NNC(=O)CNC(=O)c2ccco2)c1 725741445 RDQQYICFVDJTGK-UHFFFAOYSA-N 412.399 -0.092 50 20 HBGD Cn1nc(C(=O)NNC(=O)CNC(=O)Cc2ccc(O)cc2)c2ccccc2c1=O 726869782 KMJKNAPGWLKWBP-UHFFFAOYSA-N 409.402 -0.241 50 20 HBGD CNC(=O)c1ccc(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cn1 728511851 DLPVLUKFCTVDIY-UHFFFAOYSA-N 411.827 -0.183 50 20 HBGD CC(C)NC(=O)C(=O)NNC(=O)c1c(F)ccc(S(=O)(=O)NC2CC2)c1F 729838286 TYSSLJDJMGNVDK-UHFFFAOYSA-N 404.395 -0.309 50 20 HBGD COc1ccccc1OCC(=O)NNC(=O)NC1CCN(CC(=O)N(C)C)CC1 731762040 XXPVJEIQZPFENI-UHFFFAOYSA-N 407.471 -0.043 50 20 HBGD O=C(COC(=O)C1CCS(=O)(=O)CC1)NNC(=O)[C@H]1COc2ccccc2O1 733028181 QMLGEKUETCRBOM-CQSZACIVSA-N 412.420 -0.658 50 20 HBGD O=C(CCCNS(=O)(=O)c1ccc(F)cc1)NNC(=O)C(=O)N1CCCC1 748344114 VHIUNABTIMVXJL-UHFFFAOYSA-N 400.432 -0.346 50 20 HBGD CC(C)(C)OC(=O)N1CCN(CCNC(=O)NNC(=O)C(=O)N2CCCC2)CC1 748463090 YRCUEYRBKITCLY-UHFFFAOYSA-N 412.491 -0.508 50 20 HBGD COCCO[C@H](C)C(=O)NNC(=O)NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 748626230 CHNRYBWHCNUPRZ-ADLMAVQZSA-N 407.427 -0.377 50 20 HBGD Cc1cc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)ccc1F 756377049 OYYPTTGVSRGUEY-UHFFFAOYSA-N 403.374 -0.266 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(CCS(C)(=O)=O)cc1 757748392 FYYCJVOCOHTNAO-SNVBAGLBSA-N 406.486 -0.636 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(C2CCCC2)nn1C 764228278 WZWACNQRCRVUJF-SECBINFHSA-N 400.461 -0.899 50 20 HBGD CC(C)(O)C(=O)NNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccc(Cl)cc1 768260468 CKVAJLLBQYXVQB-GFCCVEGCSA-N 419.887 -0.209 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(Br)cc1F 775279440 WUKLWLDPDVZGTI-ZCFIWIBFSA-N 418.266 -0.165 50 20 HBGD COC(=O)CNC(=O)NN=Cc1ccc(OCC(=O)N2CCOCC2)c(OC)c1 779817589 SLLWUTFOJOILEX-UHFFFAOYSA-N 408.411 -0.261 50 20 HBGD NC(=O)CC[C@@H](C(=O)NNC(=O)NCC(F)(F)F)N1C(=O)c2ccccc2C1=O 798315418 HQTZDQUCNFDCFS-JTQLQIEISA-N 415.328 -0.191 50 20 HBGD O=C(CN1CCN(C(=O)[C@H]2CCCO2)CC1)NNC(=O)c1cccc([N+](=O)[O-])c1 916147770 OTIHRMHFHOMQSX-OAHLLOKOSA-N 405.411 -0.321 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1778840584 WETVFLGHVPGVLP-MWGFUINXSA-N 421.498 -0.976 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cncc(O)c3)C2)C1 1783618778 XJIISWJPCKSEET-HXUWFJFHSA-N 411.223 -0.776 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccsc1 1794637626 UZFKQPGAACVCAO-SCAQPMJSSA-N 400.265 -0.055 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cccc(F)n1 1798069250 CAMUZUKUPILEAX-ZSBFGKGUSA-N 413.214 -0.583 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCCCC1)C2 1801013331 PDZMVDCRZOFDPF-UPHUGPLXSA-N 423.558 -0.175 50 20 HBGD Nc1nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cs1 1830722872 IATUDYOLXGGSIT-ABAIWWIYSA-N 404.876 -0.605 50 20 HBGD O=C(c1cnn2c1CCC2)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830736181 RUYNKSBDWDHPGF-YJBOKZPZSA-N 412.874 -0.501 50 20 HBGD CNC(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1831276308 MIWRWNIYUUGDII-JKSUJKDBSA-N 410.298 -0.185 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cocn1)CCO2 1834511524 HCLXCGDHYWHRQP-SFHVURJKSA-N 409.443 -0.882 50 20 HBGD C/C=C/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835932320 ZISNJXYQFSLSQW-ORQJHOEPSA-N 414.267 -0.431 50 20 HBGD C/C=C/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835932321 ZISNJXYQFSLSQW-YFMDCFRWSA-N 414.267 -0.431 50 20 HBGD COCCn1nccc1C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1843508906 PSSZPUCPHZUGFE-UHFFFAOYSA-N 412.255 -0.660 50 20 HBGD C[C@@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)N1CCN(C)CC1 725878721 OOYPFGQONXBWLO-HNNXBMFYSA-N 423.539 -0.132 50 20 HBGD Cn1cccc1C(=O)NNC(=O)c1cccc(C(=O)NNC(=O)c2cccn2C)n1 728204137 VMISZJZAXLTWIZ-UHFFFAOYSA-N 409.406 -0.092 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1C 743820890 HAMVSXNMMYEGOX-XOUADPBQSA-N 414.418 -0.448 50 20 HBGD COc1ccc(C(=O)NNC(=O)COC(=O)c2ccc(C(N)=O)cn2)cc1OC 748890020 RRYLTEMULIRGCZ-UHFFFAOYSA-N 402.363 -0.184 50 20 HBGD CN(C)c1ccc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(F)c1 752127976 VMWVJZKXPDDHOM-UHFFFAOYSA-N 417.401 -0.900 50 20 HBGD NS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)CSc2ccccc2O)c1 764401767 RQFFGNIETHHOLN-UHFFFAOYSA-N 424.460 -0.082 50 20 HBGD COc1cccc([C@@H](C)C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 765732485 VTQSOYVHPHZWQD-LLVKDONJSA-N 414.422 -0.607 50 20 HBGD C[C@@]1(CCCC(=O)NNC(=O)CNC(=O)OCc2ccccc2)NC(=O)NC1=O 794064395 CWQCWYRLUFVDFU-SFHVURJKSA-N 405.411 -0.171 50 20 HBGD COC(=O)Cn1ncc(NC(=O)C(=O)NNC(=O)COc2cccc(C)c2)c1C 796992032 KTPDZBRKXVRSRI-UHFFFAOYSA-N 403.395 -0.162 50 20 HBGD COc1ccc(C(=O)N2CCC[C@H]2C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 798362788 KUTLTBLJCSRLBC-ZFWWWQNUSA-N 409.464 -0.118 50 20 HBGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CC[C@H](B(O)O)C2)o1 864230609 BAXORQTYVJKHPB-RYUDHWBXSA-N 414.245 -0.315 50 20 HBGD CSCC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)NN 916665501 AZDLSYZOBPUESO-CQSZACIVSA-N 416.525 -0.451 50 20 HBGD CS(=O)(=O)CC1(CNC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CC1 1252720251 MQACWPTYHHWLJG-UHFFFAOYSA-N 410.500 -0.152 50 20 HBGD CC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)CN3CCN(C(C)=O)CC3)CCO2)C1 1781219995 WTKHJMHRITVZQF-LPHOPBHVSA-N 414.934 -0.002 50 20 HBGD CC(C)[C@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782210282 MTGJYSFSQBCOME-MOXGXCLJSA-N 412.531 -0.110 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)CCN3CCOC3=O)CCO2)C1 1783876568 YLVFVBCCOBZNEP-GUYCJALGSA-N 403.863 -0.088 50 20 HBGD NC(=O)c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)cc1 1784095366 COMJWBDPWBGWMI-JONQDZQNSA-N 409.870 -0.022 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H]1NC(=O)NC1=O 1793942565 ADBJAUDNLOAMPI-YFUCHJSJSA-N 421.281 -0.590 50 20 HBGD Cc1[nH]ccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1796653774 ZBVCOZKFWJQVDS-FVCICTRLSA-N 412.450 -0.161 50 20 HBGD N[C@@H](Cc1cccnc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1796845218 IXEBFGQHWNTGLZ-YRPNKDGESA-N 422.294 -0.417 50 20 HBGD CNC(=S)NCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2 1797755509 JISHAXIHOYNQJA-GNXNZQSNSA-N 421.361 -0.155 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1[C@H]2C=CS[C@@H]21 1800257604 VAMIVIKHGBKNMD-JKIKJZRASA-N 408.524 -0.176 50 20 HBGD O=C(NC[C@H]1CCN(C(=O)C2CC(O)C2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807363511 FDGGQAQKHVBOJO-OQUMVOOASA-N 423.278 -0.148 50 20 HBGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1 1831649755 BLYBGEKZQQYYLS-YVEFUNNKSA-N 400.863 -0.274 50 20 HBGD COc1nn(C)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1833860384 JNNYCMBWGZGYNZ-SUMWQHHRSA-N 416.862 -0.902 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)cco3)C2)C1 1840150773 QOKLIFHXELDRJA-KDOFPFPSSA-N 414.842 -0.036 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCC3=O)C2)C1 1840151755 NCDZRMRYFNXYRI-KBXCAEBGSA-N 417.890 -0.681 50 20 HBGD CCCC(=O)N[C@H](C)C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1844359782 PLUONMSFOUMNPB-CQSZACIVSA-N 401.272 -0.512 50 20 HBGD O=C(COC(=O)CNC(=O)c1ccccc1)NNC(=O)[C@@H]1COc2ccccc2O1 5715266 LLNYLQXPNLAWOZ-INIZCTEOSA-N 413.386 -0.053 50 20 HBGD O=C(Cn1nc(-c2ccccc2)oc1=O)NNC(=O)c1ccc(-n2cnnn2)cc1 726242417 ZLMFRFIZLQQZHX-UHFFFAOYSA-N 406.362 -0.060 50 20 HBGD CC(C)S(=O)(=O)CC(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 728331083 AETKXFHQNVNSAQ-ZDUSSCGKSA-N 400.409 -0.660 50 20 HBGD C[C@H]1CN(CCC(=O)NNC(=O)c2nc(S(C)(=O)=O)n3ccccc23)C[C@@H](C)O1 732263495 NKUXMCVDXVDRCM-BETUJISGSA-N 423.495 -0.002 50 20 HBGD C[C@@]1(CCC(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)CCC(=O)N1 751520832 PWJKDYNPNUODPW-KUHUBIRLSA-N 405.407 -0.034 50 20 HBGD CC(C)S(=O)(=O)c1ccccc1NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 756530385 YIQNCBPNYHZNDB-JTQLQIEISA-N 406.486 -0.041 50 20 HBGD COc1ccc(NC(=O)c2cccc(NC(=O)C(=O)NNC(=O)CN(C)C)c2)cn1 764204806 ZWVAKRFHJGBSDH-UHFFFAOYSA-N 414.422 -0.010 50 20 HBGD CCOCCC(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 766636892 VIEPFDPRICDYRN-UHFFFAOYSA-N 412.512 -0.125 50 20 HBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccccc1S(=O)(=O)N1CCOCC1 771993567 PHWQPIHDYXWEQV-GFCCVEGCSA-N 413.452 -0.190 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(-c2ccccn2)cc1 810386865 VIVWRJLYEYJKQU-NSHDSACASA-N 405.436 -0.228 50 20 HBGD CN(C)S(=O)(=O)c1ccc(NNC(=O)CNS(=O)(=O)c2cnn(C)c2)cc1 812726463 GBUDDSVMUHHVNJ-UHFFFAOYSA-N 416.485 -0.908 50 20 HBGD Cc1nc(NC(=O)C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)nn1C 815564070 WJYBSNKNCGGEJF-UHFFFAOYSA-N 414.470 -0.578 50 20 HBGD O=C(CC[C@H]1NC(=O)NC1=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 913392098 XDBIDSUWUPLNRQ-OAHLLOKOSA-N 402.455 -0.666 50 20 HBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](F)Br)C2)[C@@H]1C[C@H](O)CN1 1780601984 WFWLIHVHKQDXKT-LVYCXYHQSA-N 422.295 -0.086 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c(O)cc(O)cc3O)C[C@@H]21)[C@@H](O)CCl 1784091904 CEUQEGFWFYMJRP-YIVQXAGMSA-N 414.842 -0.004 50 20 HBGD CCNC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784092113 HHAPQUFCPQASNH-QMVSFRDZSA-N 404.895 -0.727 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCCOC3)C2)C1 1785497746 REFQINYHUBROAM-UZLBHIALSA-N 402.256 -0.764 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccn(C)c3)[C@H]2C1 1785859612 PDNNQCKHCUALFC-ULQDDVLXSA-N 405.499 -0.009 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3nc(N)n[nH]3)[C@H]2C1 1788507124 XYRFHRCHEKZFEB-CYDGBPFRSA-N 414.894 -0.447 50 20 HBGD CN[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]2C1)C(=O)O 1789923025 WLUPVBLMBQWPKF-CCJOIDDDSA-N 424.267 -0.281 50 20 HBGD O=C1NC(=O)[C@@H](CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H](F)Br)C3)N1 1794210707 WBPGTLWBNHWIKD-LALMQGGXSA-N 405.224 -0.087 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1cnccn1)C2 1798439571 JJADAOSGOVSRIF-YOWGUQMCSA-N 409.450 -0.030 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnncc1C(=O)O)c1cccc(B(O)O)c1 1798777954 JFEPUEVDEDYBRE-QDMKHBRRSA-N 424.222 -0.580 50 20 HBGD O=C(CN1C(=O)CNC1=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](O)CCl)[nH]n1 1815595813 ZQFTWIONKIKWAC-GHMZBOCLSA-N 412.834 -0.447 50 20 HBGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CC[C@@H](N)C(N)=O)CC2 1825999282 PRBGRPBRTDCHRM-LPEHRKFASA-N 417.919 -0.098 50 20 HBGD O=C(c1cc2cn[nH]c2cn1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837192255 JQXDITOGJBESPR-YJBOKZPZSA-N 423.857 -0.372 50 20 HBGD C/C=C(\C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839818853 LAZVNBMYHWMGFX-NVGMFHGRSA-N 402.256 -0.597 50 20 HBGD COC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)CN1CCN(C(C)=O)CC1)C2 1846362819 XPRUZNBJLQMRAL-HNNXBMFYSA-N 400.907 -0.392 50 20 HBGD CN1C(=O)C(=O)N(CC(=O)OCC(=O)C(C#N)=C2N(C)c3ccccc3N2C)C1=O 733564407 KPEYBEASDCXOMM-UHFFFAOYSA-N 411.374 -0.159 50 20 HBGD COC(=O)CN(CCN1CCOCC1)CC(=O)NNC(=O)c1ccccc1Cl 744402739 SGKONNNKTXILSP-UHFFFAOYSA-N 412.874 -0.092 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(OCC(=O)N(C)C)cc1 755646929 SEHJIACATMGBTA-SNVBAGLBSA-N 401.445 -0.756 50 20 HBGD NC(=O)[C@H]1CC[C@@H](CNC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)O1 760204913 WAMFFTLQHKBTIC-DLBZAZTESA-N 418.498 -0.438 50 20 HBGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1cccc(I)c1 764427045 XTTGNZYBZOIYEL-SNVBAGLBSA-N 419.175 -0.208 50 20 HBGD Cn1ncc2c(O)nc(NNC(=O)CN3C(=O)N[C@@](C)(c4ccccc4)C3=O)nc21 770974139 RMGYDTNAZKVJPH-SFHVURJKSA-N 410.394 -0.021 50 20 HBGD CCN1CCN(c2cccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c2)CC1 771271160 FZHSALDSUMEGAM-CYBMUJFWSA-N 412.516 -0.081 50 20 HBGD CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NNC(=O)c1ccc2c(c1)OCCO2 787881855 NTMFOKRAYFJENU-MNOVXSKESA-N 408.411 -0.142 50 20 HBGD Cn1cc(S(N)(=O)=O)cc1C(=O)NNC(=O)c1nn(-c2ccccc2)cc1O 822234264 LMNDTMNYUYXVAQ-UHFFFAOYSA-N 404.408 -0.361 50 20 HBGD O=C(Cn1ncn2nccc2c1=O)NNc1nc(Br)cn2ccnc12 1252629033 NTYYSNXWWVNNFY-UHFFFAOYSA-N 404.188 -0.161 50 20 HBGD CS(=O)(=O)N1CCCC[C@@H]1C(=O)NNC(=O)c1csc(N2CCOCC2)n1 1317779248 QDSGAQPZUBXOPD-GFCCVEGCSA-N 417.513 -0.445 50 20 HBGD O=C(CNC(=O)NNC(=O)c1csc(N2CCOCC2)n1)NCC(F)(F)F 1317966148 JRKHTMYCYRLWFJ-UHFFFAOYSA-N 410.378 -0.398 50 20 HBGD Cn1nc(SCC(=O)NN=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n(C)c1=O 1319301043 LOURFQNOEAZYQH-UHFFFAOYSA-N 411.465 -0.875 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)C1CC(=O)C1)CCO2 1779035624 KFJWBLOYTYOXPT-IBGZPJMESA-N 401.423 -0.892 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2nccn2)C1 1780822611 QBBSGNGISMHVJP-DNVCBOLYSA-N 421.502 -0.835 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CC[C@H]2CO[C@@H](CNC(=O)C34CC(F)(C3)C4)[C@H]2C1 1784585832 UHQVULBCPFUKHP-ZZMFMQDLSA-N 416.258 -0.148 50 20 HBGD C[C@]1(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)CC1(F)F 1785392939 QOCPZGUSWKAJAP-MSOLQXFVSA-N 408.210 -0.145 50 20 HBGD O=C(Cc1ccccn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1787110875 PTNZPCMQLHHNJJ-VDGAXYAQSA-N 423.278 -0.403 50 20 HBGD CN1CCC(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)CC1 1792608093 WHGJDNWLAPGSMT-UPHUGPLXSA-N 423.558 -0.319 50 20 HBGD COc1ccc([C@@H](O)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)cc1 1792718154 XSOIIYKBNXCWSH-IMPMIVQMSA-N 412.870 -0.082 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nn[nH]c1C(F)(F)F)C2)[C@@H](O)CCl 1792979106 UMWVUBMHLJRNCE-KZVJFYERSA-N 411.768 -0.374 50 20 HBGD O=C(CN1CCOCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2 1795441722 RJYVWSLDKAQQOI-ZMJPVWNMSA-N 408.268 -0.401 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](C)NC=O 1800092047 NBQFRISBLHKFCN-CZCNGZEJSA-N 402.455 -0.107 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[C@@H]1[C@H]2C=CS[C@H]21 1800250246 QXCJCUXOFXQBFB-YFXBATGZSA-N 414.292 -0.555 50 20 HBGD O=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCBr)C3)CCN1 1801064481 HJIJPWVZDPJMOU-OHTBPHCPSA-N 402.289 -0.113 50 20 HBGD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccccn1 1801466772 CSIPQCAEGKWHGR-DFYYWFRZSA-N 423.278 -0.232 50 20 HBGD Cn1c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cccc1=O 1830724967 KNRXQAQDYVYNCF-KBXCAEBGSA-N 413.858 -0.945 50 20 HBGD C[C@](O)(C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1)C(F)(F)F 1830725636 LFOUTJHFRNITEP-DDTOSNHZSA-N 418.796 -0.644 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3csnn3)CCO2)C1 1831755653 XVUQTSNKFWDGEO-IAQYHMDHSA-N 404.876 -0.138 50 20 HBGD C[C@H](Cn1cccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1833191806 VKSNXEDHSLUPAD-VKJFTORMSA-N 414.890 -0.425 50 20 HBGD COC(=O)NCC(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834826631 SMVBXTRKRGUOGN-HNNXBMFYSA-N 422.276 -0.416 50 20 HBGD CCS(=O)(=O)N1CCC(NC(=O)NNC(=O)CNC(=O)c2cccs2)CC1 725873399 NHSRDZHXXAKWKU-UHFFFAOYSA-N 417.513 -0.378 50 20 HBGD C[C@]1(NNC(=O)NCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)CCS(=O)(=O)C1 726283415 ZGLWBKMCGGIUSL-DLBZAZTESA-N 409.468 -0.378 50 20 HBGD Cc1cccc(-c2nnc(S)n2CC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 729276125 XKJKRAKQYRZZMB-JTQLQIEISA-N 412.497 -0.373 50 20 HBGD C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNc1ccccc1S(C)(=O)=O 755802378 VZVHPWLXFQXHMW-SNVBAGLBSA-N 401.470 -0.366 50 20 HBGD COC(=O)c1cc(NC(=O)NNC(=O)[C@H]2COCCO2)cc(S(C)(=O)=O)c1 757673279 BDQCWIWNIUZLNM-GFCCVEGCSA-N 401.397 -0.555 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)o1 758042808 BBFAKFSHLVQLEF-MRVPVSSYSA-N 410.474 -0.945 50 20 HBGD O=C(NNC(=O)[C@@H]1C[C@@]12CCOC2)c1cccc(S(=O)(=O)N2CCOCC2)c1 763365254 OBJFBZXJCYYIOH-MAUKXSAKSA-N 409.464 -0.105 50 20 HBGD C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NNC(=O)C3CC3)cc2)C[C@H](C)O1 763561108 CQUWFKCQZGBKOH-RYUDHWBXSA-N 424.479 -0.020 50 20 HBGD COC(=O)c1cc(Br)ccc1NC(=O)C(=O)NNC(=O)CN(C)C 764213332 VQDWRFFPBFIDBX-UHFFFAOYSA-N 401.217 -0.117 50 20 HBGD O=C(CNC(=O)c1cccnc1)NNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1O 764344284 WUHYZGJRXCPGID-HNNXBMFYSA-N 411.418 -0.031 50 20 HBGD NC(=O)N1CCC[C@H](C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)C1 765734632 BCEWGLYFKZJWIM-INIZCTEOSA-N 416.482 -0.618 50 20 HBGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)Cn3cc([C@@H](C)O)nn3)CC2)cc1 766643814 ZKLOEIATRXFMFC-MRXNPFEDSA-N 415.498 -0.395 50 20 HBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F 772012361 KAHUEKNYIVQYIP-NJZAAPMLSA-N 409.414 -0.181 50 20 HBGD COC(=O)c1cc(C)ccc1NC(=O)C(=O)NNC(=O)CNC(=O)c1ccco1 784004759 SXXRARCEYGSPHJ-UHFFFAOYSA-N 402.363 -0.109 50 20 HBGD O=C1CN(c2ccnc(C(=O)NNC(=O)CNC(=O)c3cccs3)c2)CCN1 786855693 BRJDPQIZDARIGV-UHFFFAOYSA-N 402.436 -0.730 50 20 HBGD CO[C@@H](C)CS(=O)(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 788138459 BYUCTPWJWLMSPM-LBPRGKRZSA-N 421.497 -0.693 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@@H](C)c2ncnn2C)cc1 788886629 UAJZVUVLYODQOM-LBPRGKRZSA-N 409.472 -0.164 50 20 HBGD Cc1cccc(=O)n1C[C@@](C)(O)C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 792058256 SQLLJTDVILLTJW-GOSISDBHSA-N 407.448 -0.228 50 20 HBGD COC(=O)[C@@]12CCOC[C@@H]1CN(CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)C2 796520434 RKWGMRKQYDWHQH-SCLBCKFNSA-N 406.395 -0.133 50 20 HBGD COC(=O)N(C)NC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 804123600 FETHMSDGEGIIJB-UHFFFAOYSA-N 401.441 -0.012 50 20 HBGD NC(=O)c1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c[nH]1 916726820 WWVOTWRZYKQUCF-UHFFFAOYSA-N 405.436 -0.027 50 20 HBGD C[C@@H](CN1C[C@@H](C)O[C@H](C)C1)C(=O)NN=Cc1nc2c(c(O)nc(=O)n2C)n1C 920371583 UHPINVGZGZYYBI-QJPTWQEYSA-N 405.459 -0.432 50 20 HBGD CC[C@H](C)[C@@H](N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779030699 GPLCNZPRJYZDOH-GQWAEJPESA-N 418.498 -0.498 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3ccc(F)nc3)C2)C1 1779438597 YINATXJILJWDJW-FQEVSTJZSA-N 413.214 -0.342 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccnn1)C2 1782215022 PLIHJOOUAGJYGG-OXQOHEQNSA-N 418.498 -0.023 50 20 HBGD NC(=O)[C@H](N)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C(Cl)Cl)C1 1782215344 SEGPGXLMBNKWNE-GLKRBJQHSA-N 409.314 -0.103 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)CS(C)(=O)=O)[C@H]2C1 1784525178 VWDCAXWEQVWJAG-FQKPHLNHSA-N 424.947 -0.099 50 20 HBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 1788607884 SBTAQDZKAKGJCT-WBAXXEDZSA-N 411.462 -0.308 50 20 HBGD Cc1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)cn1 1794703816 BHLGMSRPQPHVHO-ZSBFGKGUSA-N 404.471 -0.639 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCC2(CCCN(C(=O)C3CC(O)C3)C2)CC1 1805417135 UXUAHYWHCUAQJP-UHFFFAOYSA-N 400.284 -0.018 50 20 HBGD Cn1nncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839197678 FHJHHJBGJZMVAC-RISCZKNCSA-N 420.239 -0.424 50 20 HBGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(N)=O)C2)C1 1839966489 HBJPFYVASFBMJY-BLLLJJGKSA-N 420.304 -0.118 50 20 HBGD C[C@@H](CBr)C(=O)N1CC2(CCCN2C(=O)C[C@@H]2NC(=O)NC2=O)C1 1841957922 MSOBYQPJATVZBX-UWVGGRQHSA-N 401.261 -0.181 50 20 HBGD CC(C)NC(=O)C(=O)NNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 726614836 UYOPKWORKCYBKC-UHFFFAOYSA-N 423.495 -0.043 50 20 HBGD COc1cccc(NCC(=O)NNC(=O)CN(C)S(=O)(=O)c2cccnc2)c1 728205951 MZZNYRYJKHSDSH-UHFFFAOYSA-N 407.452 -0.030 50 20 HBGD CC(=O)N1c2ccc(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc2C[C@H]1C 728510292 WBQMDMRAPGAHLG-NXEZZACHSA-N 418.497 -0.769 50 20 HBGD C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NNC(=O)C(C)(C)C)CC2)C[C@@H](C)O1 731499571 VECJGLVFANHXRG-BETUJISGSA-N 405.521 -0.255 50 20 HBGD CCN1CCC[C@H]1CN1C[C@H](C(=O)NNC(=O)CNC(=O)c2cccs2)CC1=O 733146199 ZVJHHDUBGIPHFW-KGLIPLIRSA-N 421.523 -0.042 50 20 HBGD Cc1cc(N2CC[C@H](NC(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)C2=O)n(C)n1 743512350 TUXJHVIGOXSDQJ-AWEZNQCLSA-N 424.425 -0.546 50 20 HBGD Cc1cc(C)nc(-n2nc(C)cc2NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)n1 755516879 UCPPETPUHXVIAG-NSHDSACASA-N 410.460 -0.322 50 20 HBGD CCS(=O)(=O)Nc1ccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1C 756514494 HSUSQPPZPREKIU-JTQLQIEISA-N 421.501 -0.153 50 20 HBGD CNC(=O)Cn1nc(NC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)cc1C 757823841 TWJAJKWXNGIAFV-UHFFFAOYSA-N 408.440 -0.192 50 20 HBGD CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 764084205 UMOSHGZKKNLFAF-YNEHKIRRSA-N 408.459 -0.349 50 20 HBGD CCOC(=O)c1ccn(-c2ccccc2NC(=O)C(=O)NNC(=O)CN(C)C)n1 764210713 GAUVSZGRCJRXFX-UHFFFAOYSA-N 402.411 -0.304 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(-n2cccn2)c(F)c1 764226302 HQKVTOJLJHUIHF-VIFPVBQESA-N 412.403 -0.965 50 20 HBGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)NC1CCN([C@H]2CCC[C@@H]2O)CC1 767938094 QTKGFZGUCUNAMM-IRXDYDNUSA-N 414.470 -0.016 50 20 HBGD CNS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)cn1 770456922 BWYLFQMONAQCOR-UHFFFAOYSA-N 417.403 -0.521 50 20 HBGD C[C@H](Cc1ccccc1)NC(=S)NNC(=O)CSc1nn(C)c(=O)n(C)c1=O 786062327 RWDDWNDNQJGEKM-LLVKDONJSA-N 422.536 -0.302 50 20 HBGD CN(C)c1ncncc1NC(=O)C(=O)NNC(=O)CNC(=O)OCc1ccccc1 797369109 OADIDFTYWVJVCC-UHFFFAOYSA-N 415.410 -0.445 50 20 HBGD O=C(Cn1cc(Br)c(O)nc1=O)NNc1ccc(-n2ccnc2)nn1 804955467 NYQPRVXNADNSJA-UHFFFAOYSA-N 407.188 -0.170 50 20 HBGD Cn1nnc2c1C[C@@H](C(=O)OCC(=O)NNC(=O)[C@@H]1COc3ccccc3O1)CC2 811342087 HZTILASLIUEIKX-ZBEGNZNMSA-N 415.406 -0.549 50 20 HBGD CCn1nc(C(=O)NNC(=O)CN(C)c2ncnc3[nH]cnc23)c2ccccc2c1=O 917914962 CDAQRGJROPDYTB-UHFFFAOYSA-N 421.421 -0.020 50 20 HBGD O=C(CNC(=O)c1cccnc1)NNC(=O)[C@H]1CCS(=O)(=O)c2ccccc21 1260177310 PDSODRVNZCHPGR-AWEZNQCLSA-N 402.432 -0.080 50 20 HBGD Cc1ncncc1C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1779668043 JPCIJSGKWPQSPI-IBGZPJMESA-N 404.471 -0.398 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1[C@H]3COC[C@H]31)C2 1782214525 UGVQVWUROBPWHV-OAWSQYKSSA-N 422.526 -0.234 50 20 HBGD CNc1nsnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1783519284 YXDRDDKHMVOTKT-NAKRPEOUSA-N 403.892 -0.227 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)nc(O)n3)CCO2)C1 1783875328 LUBOGPDFYZGSID-QLJPJBMISA-N 400.819 -0.415 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)C[C@@](C)(O)CC(=O)O)C2)C1 1783932304 XEKRIUIODVTMIH-VUCTXSBTSA-N 406.863 -0.314 50 20 HBGD N#CC1(C(=O)N2CC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)CCC1 1785366972 TVKSQAXEZDPCOJ-FQEVSTJZSA-N 412.450 -0.178 50 20 HBGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]2C1 1786892795 NFVBDDQVGMPZJK-MOLYVOAJSA-N 419.320 -0.658 50 20 HBGD CC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl)C(C)(C)C 1792975338 QPPDJCNTZRVGSK-XLWJZTARSA-N 403.907 -0.274 50 20 HBGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(OC)n(C)n1)C2 1800979086 SQCDMIBVBMOOFE-NWJSVONSSA-N 400.863 -0.114 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCC2(CCCN(C(=O)[C@@H](O)CCl)C2)CC1 1805519344 OEVRIALEVHZYGX-INIZCTEOSA-N 408.691 -0.189 50 20 HBGD O=C(NC[C@H]1CCN(C(=O)c2ncon2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807376047 SJHPIOIZAIKRRY-WBVHZDCISA-N 421.222 -0.222 50 20 HBGD C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1829766372 VLESLYGGMYBZBX-MXTKCAFNSA-N 403.838 -0.164 50 20 HBGD Cn1cc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cn1 1830723255 MQRRAMSJTWGJCW-QAPCUYQASA-N 414.890 -0.591 50 20 HBGD O=C(c1cc2ncccn2n1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830730782 DSWKDXJICZFTCK-RDTXWAMCSA-N 423.857 -0.601 50 20 HBGD Cn1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCBr)C3)C2)n1 1833880219 NHLCMURSWPMNBY-OAHLLOKOSA-N 416.276 -0.330 50 20 HBGD COc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cn1 1834524871 AVIXWUHKZOLAFV-GUYCJALGSA-N 414.846 -0.845 50 20 HBGD C[C@H](NC=O)C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834823979 PAPSYJBSWRSCQD-WFASDCNBSA-N 406.277 -0.638 50 20 HBGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)Cn1cncn1)CCO2 1836134405 RTPXQQQKMPBAOX-HNNXBMFYSA-N 416.276 -0.481 50 20 HBGD Cc1cnn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1 1836193882 ZUYFWIVDVJGDQK-YOEHRIQHSA-N 400.863 -0.752 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837708875 RCASOAZHTUIZDY-CJNGLKHVSA-N 408.955 -0.106 50 20 HBGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncon3)CCO2)C1 1838319506 VSMAAJVNJUNVAF-IINYFYTJSA-N 403.233 -0.077 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](Cl)COC)CCO2 1840156289 PVXPHNNUTQJUAC-HEHGZKQESA-N 413.298 -0.050 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2ccnc3c2OCO3)C1 1844660960 NVUBUOHSNKSMJX-UHFFFAOYSA-N 424.417 -0.060 50 20 HBGD CC[C@H](Br)C(=O)N1CCCC12CN(C(=O)CN1C(=O)CNC1=O)C2 1846068766 LWHCSXLEVHRTGG-JTQLQIEISA-N 401.261 -0.085 50 20 HBGD O=C(Cn1cnnn1)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1 725908292 JEZFPVPQMYMMOK-UHFFFAOYSA-N 407.437 -0.003 50 20 HBGD COc1ccccc1OCC(=O)NNC(=O)NCCCN1CCC[C@@H](C(N)=O)C1 729494582 YXKGAVSRHYLVGJ-CQSZACIVSA-N 407.471 -0.008 50 20 HBGD O=C(NNC(=O)c1c(F)ccc(S(=O)(=O)NC2CC2)c1F)C(=O)N1CCCC1 729843003 UNZBEOKORSCCKI-UHFFFAOYSA-N 416.406 -0.211 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cnn(C)c3)CC2)cc1 735446004 OLWUAOJECYPGCO-UHFFFAOYSA-N 420.495 -0.504 50 20 HBGD Cn1nc(SCC(=O)NN=C2CCCC[C@@H]2S(C)(=O)=O)c(=O)n(C)c1=O 741459180 UUCSJXZQYLMOGV-JTQLQIEISA-N 403.486 -0.970 50 20 HBGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)CNC(=O)c2cccs2)ccc1F 752520978 GHSCRRZNEOUGKI-UHFFFAOYSA-N 414.440 -0.014 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cnc(S)n1-c1ccc(F)cc1 758029451 LLAPAQCDOODFPF-MRVPVSSYSA-N 401.445 -0.001 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1c[nH]nc1-c1ccc2c(c1)OCCO2 758050303 ATRIGQLJEAUVOG-VIFPVBQESA-N 409.424 -0.453 50 20 HBGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)CN1CCN(S(C)(=O)=O)CC1 759279796 AIWBMCWEBBUDBJ-LBPRGKRZSA-N 402.448 -0.682 50 20 HBGD COCCn1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])n1 763805012 QOYLMLAJRJJZMK-UHFFFAOYSA-N 406.355 -0.397 50 20 HBGD CN(C1CCCCC1)S(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)CO)c1 764422246 QYOFENCEPZCYDX-UHFFFAOYSA-N 412.468 -0.282 50 20 HBGD CCOC(=O)c1cnn2c(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)ccnc12 769617410 QPFZNYAZFHQBBJ-UHFFFAOYSA-N 421.377 -0.044 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CCN(C)C(=O)OCc1ccccc1 795081471 SLBSOVULXZBJOW-GFCCVEGCSA-N 400.457 -0.270 50 20 HBGD C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)NCC(F)(F)F 798316096 UKAPRTYCMZNHCD-SSDOTTSWSA-N 411.362 -0.655 50 20 HBGD CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)NNC(=O)CNC(=O)c1cccnc1 803204936 ZPCHRCWNEKYYTB-AWEZNQCLSA-N 421.454 -0.015 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@@H]2CCCCCC(=O)C2)n(C)c1=O 813486596 ABRXNRYYUWVCRR-LLVKDONJSA-N 404.427 -0.879 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCn2cc([N+](=O)[O-])cn2)c1 919837528 ARSDYNHOKURGFP-UHFFFAOYSA-N 410.412 -0.107 50 20 HBGD C[Si](C)(C)OCC(=O)N1CC[C@@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1 1779294079 LAWWFANTXRPLDJ-IBGZPJMESA-N 423.542 -0.017 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc[nH]3)[C@H]2C1 1785998201 NHHPELPEVBFWGM-PJODQICGSA-N 413.438 -0.685 50 20 HBGD O=C(C[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1793767216 LEBMCVGWQNHVGI-WQDJSCAQSA-N 416.283 -0.471 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)c1ccccc1 1795386750 WIODRFLUKJUGCI-WOUAJJJCSA-N 418.494 -0.317 50 20 HBGD CCNC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](Cl)COC)C2 1797698056 WLLIIRDACVNZAO-RKQHYHRCSA-N 404.895 -0.463 50 20 HBGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)C1CC(O)C1 1803044177 SFBLVOOCHYWMRY-OQUMVOOASA-N 423.278 -0.148 50 20 HBGD Cc1nn(C)cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830725060 DHNRIMGMBAGTDV-PBHICJAKSA-N 400.863 -0.602 50 20 HBGD O=C(c1cc2n(n1)CCC2)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731801 PUXRPMFZUAGLBX-CRAIPNDOSA-N 412.874 -0.501 50 20 HBGD C[C@H](CC(N)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1831603654 VAIAYURCIKNPRC-MLGOLLRUSA-N 420.304 -0.261 50 20 HBGD C#CC(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1839807839 NKOLJLXZSGNTLO-KNGGAZFVSA-N 401.423 -0.790 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)COc1ccc(O)nn1)C2 1846385981 RGEMVHSYTBAZQT-UHFFFAOYSA-N 406.443 -0.863 50 20 HBGD NC(=O)NC1CCC(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CC1 728333796 AMXVPNIJWWUWMC-QOZQQMKHSA-N 420.422 -0.256 50 20 HBGD CS(=O)(=O)NCc1ccc(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)o1 753566737 WAJBLZWDWMEMDO-UHFFFAOYSA-N 405.396 -0.621 50 20 HBGD Cc1cc(C(=O)O)cc(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1Cl 753777038 BEVHAOLDSXGDCL-ZETCQYMHSA-N 413.861 -0.406 50 20 HBGD Cn1cc(Br)cc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1=O 757597491 JGWNNTMGBPNNHY-SSDOTTSWSA-N 407.246 -0.265 50 20 HBGD Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)C(=O)NNC(=O)CN(C)C 764203898 LRNHEUWSXWMJCF-UHFFFAOYSA-N 407.496 -0.168 50 20 HBGD Cc1[nH]c2ccnn2c(=O)c1CC(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772904951 KEAQLBBYXJZLDF-UHFFFAOYSA-N 416.825 -0.009 50 20 HBGD Cc1ccc(S(=O)(=O)NNC(=O)[C@@H]2CCc3nncn3C2)c(C)c1OCC(=O)O 793450900 PIDSGUOZRONJCD-GFCCVEGCSA-N 423.451 -0.070 50 20 HBGD CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)NNC(=O)COc1ccc(C#N)cc1 800747095 FCELPYUYRNBLHG-HIFRSBDPSA-N 409.468 -0.015 50 20 HBGD COc1ccc(C(=O)NNS(=O)(=O)CCCS(=O)(=O)N(C)C)c(OC)c1 811683624 XZILMRUNHURBBV-UHFFFAOYSA-N 409.486 -0.451 50 20 HBGD COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@@H]1CCc2nncn2C1 816884935 MINXGVCQUGFTOM-VXGBXAGGSA-N 424.458 -0.166 50 20 HBGD O=C1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)c3ccccc3)c2)CCN1 906379765 MMONOPXPAJRTDH-UHFFFAOYSA-N 402.432 -0.118 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)c3nccnc3C(N)=O)C2)C1 1779880090 ZDLARUNJLJBMIT-GTNSWQLSSA-N 411.846 -0.727 50 20 HBGD CC[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CC[C@H](N)C(N)=O)CCO2)C1 1783344059 YFQGOQQYFVISDZ-MKBNYLNASA-N 419.320 -0.417 50 20 HBGD Cc1cnn(CC(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1 1783933867 JYHFSWGSBPYKAY-IBGZPJMESA-N 406.487 -0.606 50 20 HBGD Cc1cnoc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1789126523 FQZGOVMIQAKCSZ-KKUMJFAQSA-N 407.471 -0.051 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[C@H]1CCC=CO1 1797719240 VWOHQINKQWXDAZ-CYGHRXIMSA-N 400.240 -0.738 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC=CO1 1797719751 YWMAXAHDRKJIBL-DLTLXFJOSA-N 415.450 -0.419 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2nncn2c1)c1ccc(B(O)O)cc1 1798123718 PHSUOQQDFRYQOO-BCDXTJNWSA-N 419.250 -0.025 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1C[C@]1(F)Cl 1801094818 QJOCYHQVPSUQFQ-MUTWKMIISA-N 404.870 -0.127 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COc1cccnn1)c1ccc(B(O)O)cc1 1802936058 YWSQTCJFWZYOQT-BJWYYQGGSA-N 410.239 -0.513 50 20 HBGD C[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1812858580 VOUDTDRORHGHOZ-RVSPLBMKSA-N 412.450 -0.220 50 20 HBGD O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1812879032 OGUVGKXJHVZDGK-JXFKEZNVSA-N 421.218 -0.831 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)C(=O)N(C)C)[C@H]1c1cccnc1 1813071422 PWTNXPLBCPCOAM-YJBOKZPZSA-N 418.498 -0.451 50 20 HBGD CN1CCC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)CC1 1830719673 HBPZPWVPMKCOEP-MAUKXSAKSA-N 403.907 -0.616 50 20 HBGD CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1 1830732915 CJJYPQJNPJLTJS-JKIFEVAISA-N 405.879 -0.157 50 20 HBGD CCC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CNC(=O)O3)CCO2)C1 1831563196 BHINAURHOOCTGF-IIYDPXPESA-N 403.863 -0.041 50 20 HBGD O=C(NC1CCN(C2CCN(C(=O)CN3CCOCC3)CC2)CC1)[C@@H](O)CCl 1833309452 WCBBACBZASUJMX-KRWDZBQOSA-N 416.950 -0.510 50 20 HBGD CC(C)CNC(=O)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833310174 AUBMXWRUQUZNBY-MRXNPFEDSA-N 416.950 -0.070 50 20 HBGD Cc1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Cl)C3)C2)c(=O)[nH]c1C 1833386974 MNHPFGBNKPZAHD-DYVFJYSZSA-N 416.837 -0.009 50 20 HBGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)no1 1834351336 QGSIYACGYXNMPC-LJQANCHMSA-N 423.470 -0.574 50 20 HBGD CN1CC(C(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)C1 1834826518 QTGHOHWQFBWTHN-INIZCTEOSA-N 404.305 -0.211 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(C)=O)CCO2)C1 1839886128 JYVUETMQIPSUQW-RHSMWYFYSA-N 405.879 -0.777 50 20 HBGD O=C(NCCC(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccc[nH]1 1842014971 DHZCHAIJVXNLSY-UHFFFAOYSA-N 424.266 -0.668 50 20 HBGD O=C1Cc2cc(C(=O)N3CC4(CCCN4C(=O)c4cccc(B(O)O)c4)C3)ccc2N1 1843013905 BEKZGZIMPAOBPL-UHFFFAOYSA-N 419.246 -0.008 50 20 HBGD CCC[C@H](NC(C)=O)C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844265463 FRGXKBYOXCDCQP-INIZCTEOSA-N 416.482 -0.193 50 20 HBGD O=C(NNS(=O)(=O)N1CCCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 740706326 WYQVCDQBZZWETE-UHFFFAOYSA-N 418.497 -0.718 50 20 HBGD NC(=O)CS(=O)(=O)c1ccc(C(=O)NNC(=O)COc2ccccc2O)cc1 742653622 NCFYYAITYXHAAA-UHFFFAOYSA-N 407.404 -0.509 50 20 HBGD COc1ccccc1NCC(=O)NNC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 743294016 PGCWSVWTSHGZBP-BQGCOEIASA-N 402.407 -0.583 50 20 HBGD COC(=O)c1ccsc1N1CC[C@@H](NC(=O)NNC(=O)C(=O)N2CCCC2)C1=O 746781169 QSYZWQMUWQBPDH-LLVKDONJSA-N 423.451 -0.407 50 20 HBGD CNS(=O)(=O)c1csc(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 748693374 DVYGJRUQUHAXPF-UHFFFAOYSA-N 407.437 -0.293 50 20 HBGD C[C@@H]1CN(C)CC1=NNC(=O)C[C@@H](C(=O)NN=C1CN(C)C[C@H]1C)N1CCOCC1 752166094 PUXUFEJGIQJGFX-RKVPGOIHSA-N 421.546 -0.815 50 20 HBGD COc1ncc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)cc1C(N)=O 763864385 CKQFYSOFXNJHDN-VIFPVBQESA-N 419.369 -0.118 50 20 HBGD CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)NNC(=O)COC)c1 764301348 BIXWQVLFFMHQHS-LLVKDONJSA-N 400.457 -0.363 50 20 HBGD CCNS(=O)(=O)[C@@H]1CCN(C(=O)NNC(=O)CNC(=O)c2cccs2)C1 770777681 YBAZRKMUVSGSIH-SNVBAGLBSA-N 403.486 -0.768 50 20 HBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 771854145 MVKCTLXLRSDRLA-GFCCVEGCSA-N 410.452 -0.038 50 20 HBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 772315735 LPGUGTMKOZNECF-NEPJUHHUSA-N 414.459 -0.009 50 20 HBGD CCNC(=O)N(C)NC(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 784916500 YUECRKAJBCSNFB-HNNXBMFYSA-N 419.438 -0.668 50 20 HBGD COC(=O)c1cn(CC(=O)NNC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1 808010626 GKDCULIFBCYNCU-NSHDSACASA-N 410.431 -0.141 50 20 HBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CCCN1C(=O)CCC1=O 915636843 ZHGHPINUEOOISN-UHFFFAOYSA-N 409.468 -0.022 50 20 HBGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNc1nccn(C)c1=O 1319052371 KLDLNFYZPQAXBD-UHFFFAOYSA-N 423.451 -0.433 50 20 HBGD O=C1NCCCn2nc(C(=O)N3CC[C@]4(C3)CN(C(=O)[C@H](F)Cl)CCO4)cc21 1778379709 QOUBJAYRHYSLHU-GUYCJALGSA-N 413.837 -0.006 50 20 HBGD O=C(COC(=O)C(F)(F)F)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1778891455 GFHNZUGDGCXEDO-TVQRCGJNSA-N 402.753 -0.479 50 20 HBGD C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1781271472 BRZFLRITEXLDMI-HXUWFJFHSA-N 424.498 -0.301 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783561735 IRKZIXNRPHKUJI-DBRLUCFCSA-N 415.406 -0.962 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)CSCC(=O)O)C2)C1 1783959742 HUYXWRDFVFGPLM-KRWDZBQOSA-N 416.500 -0.993 50 20 HBGD C[C@H](Cn1ccnc1)C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1784507476 VXMZIRGMOUQKEC-OXQOHEQNSA-N 420.514 -0.278 50 20 HBGD Cc1cccnc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786982704 FALHIYXJKBVILW-WDSOQIARSA-N 423.278 -0.023 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cscn3)C[C@@H]21)c1cccc(B(O)O)c1 1786984422 FUDXAADEFJRCED-QRTARXTBSA-N 415.280 -0.270 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CC(F)(F)C1 1792601192 LJTQDKIYORAROP-JJLQDPRZSA-N 423.420 -0.066 50 20 HBGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCNC1=N)C2 1792867816 LNKLMPKRGUFZPG-FMSGJZPZSA-N 416.320 -0.553 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nc2ncccn2n1)c1ccc(B(O)O)cc1 1797476608 TXSLWWJQNIIQRJ-MUJYYYPQSA-N 420.238 -0.630 50 20 HBGD O=C(CN1C(=O)C=CC1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2 1801119699 KWMGRDJUCSGHPI-HZZFPTLFSA-N 418.219 -0.809 50 20 HBGD C[C@H](Br)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CC(=O)NC1=O)C2 1801958984 MVQWUCIOJQNNTE-MMWGEVLESA-N 401.261 -0.040 50 20 HBGD O=C(CNCP(=O)(O)O)N1CCC2(CCCN(C(=O)[C@H](O)CCl)C2)CC1 1805519440 QGVLCXVYOKAYJY-GFCCVEGCSA-N 411.823 -0.458 50 20 HBGD O=C(c1ccnc(F)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830726918 WMAZCYGZSLJWFS-SUMWQHHRSA-N 401.822 -0.110 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)ncn3)CCO2)C1 1831740420 DKTINHTVKHHLES-PXAZEXFGSA-N 414.846 -0.494 50 20 HBGD COc1ncccc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1834125599 VLJMTGGGTQNAOQ-RDTXWAMCSA-N 413.858 -0.240 50 20 HBGD CC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837715882 PMKUIOOBVIMMMS-RDTXWAMCSA-N 415.563 -0.181 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CC(N)=O)C2)C1 1840150638 ODJMMQFTIYAQAK-DCGLDWPTSA-N 405.879 -0.792 50 20 HBGD COC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840183153 SPBBCOTZZLGIBQ-LJQANCHMSA-N 414.503 -0.759 50 20 HBGD N[C@@H](Cc1cscn1)C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011152 WOCOSRPVPLSHOH-INIZCTEOSA-N 414.296 -0.790 50 20 HBGD O=C(c1c(O)cc(O)cc1O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014724 UJWFLEAOXLCJFB-UHFFFAOYSA-N 412.207 -0.386 50 20 HBGD O=C(CNCP(=O)(O)O)N1CC2(CCCN2C(=O)[C@H](F)Br)C1 1845217392 VSGZSXWVCSGLAW-VIFPVBQESA-N 402.157 -0.395 50 20 HBGD CCOC(CC(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2)OCC 1846477843 XRNNCZGDQFNNCJ-UHFFFAOYSA-N 404.272 -0.027 50 20 HBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)[C@H]1CCCO1 27318631 BHYNFWSJVJAYNQ-MRXNPFEDSA-N 411.480 -0.034 50 20 HBGD COCCCNC(=O)NNC(=O)CN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O 139649627 KJXXLNOSUFXJPT-SFHVURJKSA-N 407.427 -0.171 50 20 HBGD Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NNC(=O)N2CCOCC2)C1 729347674 DZOMQYHHPGZZSI-ZDUSSCGKSA-N 414.488 -0.500 50 20 HBGD CO[C@H](C)C(=O)Nc1cccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 756226915 CDSYOKAVIYKPGE-VHSXEESVSA-N 401.445 -0.250 50 20 HBGD Cc1ccc(OCC(=O)NNC(=O)NCCNS(=O)(=O)NC(C)C)cc1C 759556754 PYUYXLYWGFJFRT-UHFFFAOYSA-N 401.489 -0.155 50 20 HBGD CCN(CC)CCNC(=O)c1cc(NC(=O)C(=O)NNC(=O)CO)ccc1Cl 764421316 LXQIJPHBPZXPPE-UHFFFAOYSA-N 413.862 -0.510 50 20 HBGD Cc1noc(C(C)C)c1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 766637073 SBMOOMQTWRPIRX-UHFFFAOYSA-N 403.399 -0.685 50 20 HBGD CN(C)c1nccc(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)n1 776069576 QFGSTZOGLREBCA-UHFFFAOYSA-N 421.483 -0.063 50 20 HBGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c(C)cc1C 788331052 OZXOELCAQIEFDY-LLVKDONJSA-N 411.436 -0.389 50 20 HBGD Cn1nc(SCC(=O)NN=C2CCN(c3ccccn3)CC2)c(=O)n(C)c1=O 915958713 RSMMDCQHQZXKDJ-UHFFFAOYSA-N 403.468 -0.261 50 20 HBGD CS(=O)(=O)CC[C@H](C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 1116847678 LEPJTPHHKOXBDO-KGLIPLIRSA-N 402.494 -0.213 50 20 HBGD CSCCNC(=S)NNC(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1 1325106692 DKNZYACZPCXIIM-UHFFFAOYSA-N 406.555 -0.229 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCCO1)CCO2 1779034059 KQTUUDQYHULKQI-HNAYVOBHSA-N 403.439 -0.692 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3snnc3c1)C2)[C@@H](O)CCl 1792980522 KYHIXPQQNDZYHD-LFSVMHDDSA-N 411.871 -0.111 50 20 HBGD COc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)nn1 1796188752 OLFFUHZCYDMDLC-MUJYYYPQSA-N 410.239 -0.269 50 20 HBGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1830543878 GWKAOXRTLACGMZ-MLGOLLRUSA-N 417.256 -0.438 50 20 HBGD Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)nn1C 1830719683 HIFLMFQKRPLAJW-YJBOKZPZSA-N 414.890 -0.673 50 20 HBGD COCc1oncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830727932 KVCLGEFPZUUMIN-GUYCJALGSA-N 417.846 -0.509 50 20 HBGD Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)n[nH]1 1830730858 FYVBJNMMSGLGOF-WMLDXEAASA-N 400.863 -0.683 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)ncn3)CCO2)C1 1831740422 DKTINHTVKHHLES-SJKOYZFVSA-N 414.846 -0.494 50 20 HBGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@H]3NC(=O)NC3=O)CCO2)C1 1832697572 OTPHHBUHGFRQDS-JKDFXYPNSA-N 416.862 -0.942 50 20 HBGD CCC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1837358110 QKWITWVESLSTIN-SJKOYZFVSA-N 400.863 -0.274 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCC3)C2)C1 1840149328 LWLNTPUNCWQKGU-MAUKXSAKSA-N 403.907 -0.208 50 20 HBGD O=C(CSc1ncccn1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011037 HWCCSDMPYXNKBY-UHFFFAOYSA-N 412.280 -0.234 50 20 HBGD O=C([C@@H]1Cc2ccccc2CN1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011041 IOIHLECWXVBLAY-FQEVSTJZSA-N 419.290 -0.102 50 20 HBGD O=C(c1cc(=O)n2[nH]nnc2n1)N1CC2(CCCN2C(=O)[C@@H](F)Br)C1 1845217237 NJMJFSSGLNVXNL-SECBINFHSA-N 414.195 -0.680 50 20 HBGD C[C@@H]1CCCC[C@H]1NC(=S)NNC(=O)CSc1nn(C)c(=O)n(C)c1=O 18945232 CSDMKVZYHYVCID-NXEZZACHSA-N 400.530 -0.355 50 20 HBGD CC(=O)Nc1nc(C)c(S(=O)(=O)NNC(=O)CNC(=O)c2ccco2)s1 727359094 LJQNOFNNOWNXKB-UHFFFAOYSA-N 401.426 -0.258 50 20 HBGD Cn1c(=O)nc(O)c2cc(S(=O)(=O)NNC(=O)[C@H]3Cc4ccccc4O3)cnc21 728506465 QUMFWTOUSPOVJN-CYBMUJFWSA-N 417.403 -0.653 50 20 HBGD CCN(CC)S(=O)(=O)c1ccc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1 729276168 YFZBYMNIWBEJKV-NSHDSACASA-N 420.513 -0.584 50 20 HBGD C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)c3cnn[nH]3)c2)C[C@H](C)O1 729455540 KESVRZVTGDTKBL-QWRGUYRKSA-N 408.440 -0.323 50 20 HBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1 732083337 RELNPCZYNOSRBY-LBPRGKRZSA-N 409.472 -0.080 50 20 HBGD CCC(CC)NC(=O)C(=O)NNC(=S)NCc1ccc(S(N)(=O)=O)cc1 740772753 PZYPDZQOIBXQQY-UHFFFAOYSA-N 401.514 -0.366 50 20 HBGD C[C@H](C(=O)NNC(=O)[C@@H]1COc2ccccc2O1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 742241868 NCLVEEXJEKNPHM-VPFLJSNFSA-N 415.402 -0.475 50 20 HBGD Cn1c(NNC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)nc2ccccc2c1=O 742672570 MNIHTKYCJQFIST-VDERGJSUSA-N 411.418 -0.071 50 20 HBGD Cc1nc2ccccn2c1C(=O)NNC(=O)NCCN1CCN(S(C)(=O)=O)CC1 746512730 XGVGVRCHRCKWCM-UHFFFAOYSA-N 423.499 -0.836 50 20 HBGD Cc1nc(S(=O)(=O)NCCC(=O)NNC(=O)c2ccc3c(c2)OCO3)cn1C 750659378 OJYJEQCQVNUYOE-UHFFFAOYSA-N 409.424 -0.413 50 20 HBGD CC(C)Oc1cccc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)n1 755181805 ZWERQXQNJZQZIM-UHFFFAOYSA-N 415.410 -0.923 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(N2CCOCC2)c(F)c1 756336714 YVZLBSBEKIGAHE-JTQLQIEISA-N 403.436 -0.247 50 20 HBGD COc1cc(C(=O)NNC(=O)c2ccnc3c(C(N)=O)cnn23)cc(OC)c1OC 757989676 YNVCNLVPTCSRTA-UHFFFAOYSA-N 414.378 -0.071 50 20 HBGD N#Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(-n3nccn3)nc2)cc1 763678609 IMQBXGRJIQOTSJ-UHFFFAOYSA-N 406.362 -0.301 50 20 HBGD CC(C)n1ncc2ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc21 764227446 OOIZOXYHDKEFMT-JTQLQIEISA-N 410.456 -0.359 50 20 HBGD CCN1CCN(c2ccc(NC(=O)C(=O)NNC(=O)[C@H]3COCCO3)cc2)CC1 764425176 NKFVSBBHUWWYGY-MRXNPFEDSA-N 405.455 -0.670 50 20 HBGD CCN(CC)CCOc1ccccc1NC(=O)C(=O)NNC(=O)[C@H]1COCCO1 764431535 CXKLPZOTJZITQS-MRXNPFEDSA-N 408.455 -0.092 50 20 HBGD COC(=O)c1c(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)sc2c1CCCC2 764434360 PZOGNLZALDLQLF-SNVBAGLBSA-N 411.436 -0.085 50 20 HBGD Cc1[nH]c2c(C(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cccc2c1C 766643024 JAJVBLSDIQKUJJ-UHFFFAOYSA-N 423.433 -0.007 50 20 HBGD CCN1CCOC[C@@H]1C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 775604014 FEWORJAMPYTQPH-MRXNPFEDSA-N 410.496 -0.047 50 20 HBGD CC[C@H]1CCc2nc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)sc2C1 789735489 QFNKKUFDUNZABF-BDAKNGLRSA-N 417.513 -0.318 50 20 HBGD CCOC(C)(OCC)C(=O)NNC(=O)Cc1cc(F)c(OC)c(S(N)(=O)=O)c1 807371103 CYOZCHMRDITLHM-UHFFFAOYSA-N 421.447 -0.039 50 20 HBGD Cn1cnn(CCC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1=O 814731674 FSKLABSQLUPPTM-UHFFFAOYSA-N 422.467 -0.782 50 20 HBGD Cc1ccc(OCC(=O)NNC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 901392288 JHBZONMVCLTEJK-CYBMUJFWSA-N 422.463 -0.313 50 20 HBGD O=C(NNC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1)c1ccc(-n2cnnn2)cc1 917925301 IXLSUKXMFFLKII-AWEZNQCLSA-N 406.406 -0.133 50 20 HBGD O=C(COC(=O)c1ccc(-n2cncn2)nc1)NNC(=O)[C@H]1COc2ccccc2O1 928983972 PSRAKDFKIMPAML-OAHLLOKOSA-N 424.373 -0.194 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1783874844 HPEPRTKTSXRYPL-QAPCUYQASA-N 410.663 -0.936 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1783934757 LUZAPRKPQUTJDC-KRWDZBQOSA-N 423.430 -0.866 50 20 HBGD Cc1nnc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)s1 1784089753 HRBFNVJWEZRTNN-CYDGBPFRSA-N 402.904 -0.032 50 20 HBGD CNC(=S)NCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1788612494 OSKPJHXSFDCMJO-CYDGBPFRSA-N 406.936 -0.950 50 20 HBGD COc1nn(C)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801009664 ZXGJDMPGZWBVFD-FVCICTRLSA-N 422.486 -0.995 50 20 HBGD CN(C)C(=O)NCC(=O)N1CC[C@H](CNC(=O)[C@H](O)CCl)[C@@H]1c1cccnc1 1803137050 HSDKFLGVJDAEOB-FMKPAKJESA-N 411.890 -0.042 50 20 HBGD O=C([C@H](O)CCl)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)c1ccco1)CCO2 1829814499 SCHPZLUEOGKVAD-MRRJBJDNSA-N 402.831 -0.631 50 20 HBGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]n3)C2)C1 1830538265 AFEYZXYZKZXEFO-NHYWBVRUSA-N 416.276 -0.094 50 20 HBGD COC(=O)C12CC(C(=O)N3CC4(CCCN4C(=O)c4cccc(B(O)O)c4)C3)(C1)C2 1843014968 VLTWAWZCBNFVAM-UHFFFAOYSA-N 412.251 -0.473 50 20 HBGD CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 10214396 RXJUXKLZXYXVEC-AAEUAGOBSA-N 417.509 -0.041 50 20 HBGD Cc1cc(C(=O)NNC(=O)CNC(=O)c2cccs2)nc2nc(O)nc(O)c12 746196126 FELBHXWCELZLSS-UHFFFAOYSA-N 402.392 -0.003 50 20 HBGD COC(=O)c1ccc(OC)c(S(=O)(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 747599881 AKOAWYWNZFJXGU-JTQLQIEISA-N 406.438 -0.774 50 20 HBGD CC(C)(C)OC(=O)N1CC[C@](F)(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)C1 748530737 ZSQBCUOMFBGOOH-ZUZCIYMTSA-N 408.452 -0.147 50 20 HBGD C[C@@H](CNC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1)S(C)(=O)=O 754674555 KSFOTWPXYPHNLV-HNNXBMFYSA-N 411.528 -0.038 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H](c1ccccc1)N1CCSCC1 758038397 DRHXQVDRHHJJJL-OCCSQVGLSA-N 400.526 -0.138 50 20 HBGD C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)Cc1ccccc1F 763043075 BZJHUIYXTCOTHN-NSHDSACASA-N 422.438 -0.019 50 20 HBGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)CC2)cc1 766648434 JNOAPEKWKSUTKX-HNNXBMFYSA-N 411.528 -0.802 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc3nc(O)[nH]c3n2)c1 774318987 UQDPBEZHGGZPFR-UHFFFAOYSA-N 404.408 -0.011 50 20 HBGD O=C(COC(=O)[C@@H]1COCCN1CC(F)F)NNC(=O)c1cccc([N+](=O)[O-])c1 786953435 YQQSJZWZVVAYFI-LBPRGKRZSA-N 416.337 -0.135 50 20 HBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c1c(C)nn(C)c1C 788159079 VBMVGISUYDDAIE-LLVKDONJSA-N 419.504 -0.360 50 20 HBGD CCOc1ccc(S(=O)(=O)NNC(=O)[C@@H]2CCc3nncn3C2)cc1C(=O)O 793449886 HKTMMXPHXUKNFI-SNVBAGLBSA-N 409.424 -0.053 50 20 HBGD O=C(NNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)c1ccc([N+](=O)[O-])cc1 914831959 XKNOABRCUVKNGL-AAEUAGOBSA-N 410.408 -0.609 50 20 HBGD Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 915685691 HIEPNFPHIFUHHN-GXTWGEPZSA-N 410.431 -0.513 50 20 HBGD CC(C)CNS(=O)(=O)c1ccc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 918209804 OUDNILPJQOSRSP-CYBMUJFWSA-N 417.509 -0.183 50 20 HBGD CNS(=O)(=O)c1ccc(CC(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)cc1 1320166479 KRGWSIIDSJTHKH-ZIAGYGMSSA-N 412.512 -0.216 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1ncccn1)CCO2 1783936938 YHPWYVKMUMWNGX-IBGZPJMESA-N 404.471 -0.778 50 20 HBGD Cc1cc(CC(=O)N2CC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)no1 1784365984 HHYMADDTDBGVNO-IBGZPJMESA-N 407.471 -0.272 50 20 HBGD Cc1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)cs1 1794907685 AAKKPZVJDLICKJ-XOIINTDNSA-N 415.280 -0.352 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCCCC1 1795432525 OUWGAZAZCAQQJP-CWPLJXCYSA-N 409.531 -0.565 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN(C)C 1795434568 PQJNAGLXRNAXET-RBZXCYDUSA-N 418.498 -0.338 50 20 HBGD O=C(CNCP(=O)(O)O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(Cl)Cl)C2 1795522357 MNMUXMVWBDMCNK-DIYOJNKTSA-N 404.187 -0.896 50 20 HBGD Cc1noc(C)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795732522 QHSFZGVGCWSAIY-JLVBRIDZSA-N 413.239 -0.512 50 20 HBGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccnn1 1795890132 CGVHJOCDTKKXIR-NRWUCQMLSA-N 400.277 -0.101 50 20 HBGD C[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)N1C[C@H]2C[C@H]2C1 1796191485 QHZKKZOCDUCCEY-WVGHKPTNSA-N 411.311 -0.042 50 20 HBGD C[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2)N1C[C@H]2C[C@H]2C1 1798318564 OCOALHIRGQMJEY-WVGHKPTNSA-N 411.311 -0.042 50 20 HBGD C[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN)n1cncn1 1798443551 HCGKSICXWMDDMU-YIYPIFLZSA-N 412.454 -0.210 50 20 HBGD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)nc2nccn12 1799985658 JZRTZKQDCKRYQO-NEBZKDRISA-N 407.858 -0.159 50 20 HBGD COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)nn1C 1801011887 PPWANMBYKCOLKT-IVWMJMPLSA-N 422.486 -0.995 50 20 HBGD C[C@H](NC=O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1830327257 UKJMJNLAKIJHAY-KXBFYZLASA-N 415.299 -0.266 50 20 HBGD O=C(c1ccnc(Cl)n1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830730504 ARUXJLPAJOAIJE-LRDDRELGSA-N 419.265 -0.200 50 20 HBGD O=C(c1ccc(F)nc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731413 LJLSVCHEZFPMMS-CXAGYDPISA-N 401.822 -0.110 50 20 HBGD NC(=O)[C@@H](N)CCC(=O)NC1CCN(C2CCN(C(=O)C(Cl)Cl)CC2)CC1 1834736588 VOJPPOCJXDKQFY-ZDUSSCGKSA-N 422.357 -0.046 50 20 HBGD O=C(NC1CCN(C2CCN(C(=O)C#CC3CC3)CC2)CC1)c1ccc(B(O)O)cc1 1834798069 QVHNSSFMHKGDQV-UHFFFAOYSA-N 423.322 -0.035 50 20 HBGD O=C1CC[C@H](C(=O)N2CCC(OC3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)N1 1836716644 HHGCQDAGQRQVSQ-CABCVRRESA-N 401.891 -0.137 50 20 HBGD O=C(c1ncon1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1838321130 PBONUWNSNHHDKN-RNCFNFMXSA-N 407.196 -0.170 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1839864941 YDUJPOBTQKZGHQ-JKSUJKDBSA-N 410.298 -0.055 50 20 HBGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC=O)C2)C1 1839966289 ZWILQNBUMMBPMM-DVOMOZLQSA-N 420.304 -0.249 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccnn3)C2)C1 1840032240 SFCKCJGGVIFMPT-WFASDCNBSA-N 416.276 -0.482 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1840036631 POULPPOOECDKMK-NHYWBVRUSA-N 403.229 -0.686 50 20 HBGD COc1cc(CNC(=O)NNC(=O)C(=O)N2CCCC2)ccc1OCC(=O)N(C)C 748461123 QBAMXUSXQKKBCI-UHFFFAOYSA-N 421.454 -0.385 50 20 HBGD C[C@]1(NNC(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)CCS(=O)(=O)C1 748464587 GNDUCCHTILNVIZ-SFHVURJKSA-N 424.527 -0.499 50 20 HBGD COc1ncnc(N(C)C)c1NC(=O)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 763472052 SFDSSEDZUBBFPG-UHFFFAOYSA-N 403.355 -0.141 50 20 HBGD O=C(CCn1cnc2sccc2c1=O)NNC(=O)CNC(=O)c1cccnc1 763819541 CWPRWYLGQBHVRN-UHFFFAOYSA-N 400.420 -0.180 50 20 HBGD COc1ccc(CCC(=O)NNC(=O)C(=O)Nc2cnc(OC)c(C(N)=O)c2)cc1 764127122 OHGFBROLLNVJTH-UHFFFAOYSA-N 415.406 -0.084 50 20 HBGD CSc1ccc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 765725045 PJCSITHOXJCSKW-UHFFFAOYSA-N 402.436 -0.383 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CSc2ccc(F)cc2)n(C)c1=O 765732972 ZBUWQIQTQQAXLM-UHFFFAOYSA-N 420.426 -0.488 50 20 HBGD CNS(=O)(=O)c1c[nH]c(C(=O)OCC(=O)NNC(=O)Cc2ccccc2C)c1 767282987 SHQOXEHTIMDJQW-UHFFFAOYSA-N 408.436 -0.222 50 20 HBGD CCOC(=O)c1cnc(NNC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)nc1C 778424810 BDAWNSIEJDKEBB-UHFFFAOYSA-N 413.394 -0.336 50 20 HBGD COCCC(=O)N1CCC(NC(=O)NNC(=O)CNC(=O)OC(C)(C)C)CC1 778704079 JLLSZQATCXAXPL-UHFFFAOYSA-N 401.464 -0.131 50 20 HBGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NCCN2CCNC(=O)C2)nc1 781402315 YRXLOOVRLHVORU-UHFFFAOYSA-N 413.504 -0.830 50 20 HBGD CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 787881793 NDGWVGQYSJPGBN-SUNKGSAMSA-N 408.411 -0.387 50 20 HBGD CN(C)N(C(=O)Cc1ccc(S(=O)(=O)N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 796540113 PQPZTAOOMJEMAP-CQSZACIVSA-N 403.526 -0.028 50 20 HBGD CCc1ccc(NC(=O)NNC(=O)[C@@H]2CCc3nncn3C2)cc1S(N)(=O)=O 814638032 IZHZDPVESVWYEB-LLVKDONJSA-N 407.456 -0.097 50 20 HBGD CS(=O)(=O)c1ccccc1NNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 1319199000 LDSFENZMAPROMI-VXGBXAGGSA-N 415.493 -0.431 50 20 HBGD CC1(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)COC1 1779028394 DJRCZAXBFZFTQG-LJQANCHMSA-N 403.439 -0.835 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnn3C)C[C@@H]21 1791288866 YTYZDGQGRIBSIT-DZKIICNBSA-N 406.487 -0.614 50 20 HBGD CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(Cl)Cl)C2 1793318873 ZBENUIHMDAHMBE-MMWGEVLESA-N 416.327 -0.293 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1nccs1 1794894815 IQXWANBSJYQAOI-AGGWBTHJSA-N 401.253 -0.660 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCCO1 1795899818 RNUHVUPVHCPBGD-NOXHYTERSA-N 403.439 -0.933 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Cl)nn1)C2 1801011379 ISWNEBLWBJUUBB-DPIQGUFMSA-N 424.889 -0.294 50 20 HBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)[C@@H](O)CCl 1814870065 HXVXXRXPDMTGPC-GJZGRUSLSA-N 420.662 -0.005 50 20 HBGD CN1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)C1 1822999144 KEMKRZSMMXSZDH-KRWDZBQOSA-N 411.271 -0.043 50 20 HBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cnnn1C)CC2 1826080743 VVRFNFBRSSDIBE-SNVBAGLBSA-N 420.499 -0.130 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(N)=O)C2)C1 1839156543 SSRJVPTWJOCRKZ-CABCVRRESA-N 411.286 -0.653 50 20 HBGD Cn1nncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839197676 FHJHHJBGJZMVAC-BXUZGUMPSA-N 420.239 -0.424 50 20 HBGD COC(OC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199606 YGIYKSIXKWHNAM-IINYFYTJSA-N 413.240 -0.248 50 20 HBGD O=C1CC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)=NN1 1839201209 ZGYYTEMUEUSBCS-SMDDNHRTSA-N 421.223 -0.991 50 20 HBGD O=C(CN1CCN(C(=O)CN2CCOCC2)CC1)NNC(=O)c1ccc(F)cc1 10095138 OPMXBUABMJSBSA-UHFFFAOYSA-N 407.446 -0.937 50 20 HBGD COCCN1CCC(NC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)CC1 140188742 ZKVOCYFUVOPBBD-UHFFFAOYSA-N 402.455 -0.012 50 20 HBGD COc1ccc(C)cc1N1C[C@H](C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)CC1=O 728386272 VKEXTSPPZWGQCX-CHWSQXEVSA-N 409.464 -0.061 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)CSc1nnnn1CC(F)(F)F 729948539 CJUKOJUTDOXGGB-UHFFFAOYSA-N 407.334 -0.502 50 20 HBGD CCS(=O)(=O)N1CCC[C@@H](C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)C1 734242195 WWYGJFHCGNRJCW-GFCCVEGCSA-N 421.520 -0.097 50 20 HBGD CCc1sc(C(=O)NNC(=O)CN2CCN(C(=O)C(=O)NC3CC3)CC2)cc1C 736308955 OVBIJGPFUXZXEU-UHFFFAOYSA-N 421.523 -0.197 50 20 HBGD O=C(NNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O)C(=O)N1CCCC1 745993341 QORWGDFDBKPQOQ-UHFFFAOYSA-N 410.452 -0.440 50 20 HBGD CS(=O)(=O)N1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)CBr)CC1 758527092 GQQJXQFEWQNTDB-JTQLQIEISA-N 418.335 -0.763 50 20 HBGD C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NNC(=O)CNC(=O)c1cccnc1)C2=O 763825059 PNVCQWLCVFIFIO-BLVKFPJESA-N 416.438 -0.541 50 20 HBGD C[C@@H](Cc1ccc(F)cc1)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765730819 OJRDTABMWYGNDR-NSHDSACASA-N 416.413 -0.401 50 20 HBGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1ccnc(OCC(F)(F)F)c1 784003466 XIBNKDXDIAMYPV-UHFFFAOYSA-N 403.317 -0.269 50 20 HBGD COCCNC(=O)c1cccc(S(=O)(=O)NNC(=O)CNC(=O)c2ccco2)c1 795311266 ILFXPFWIMDAOMA-UHFFFAOYSA-N 424.435 -0.605 50 20 HBGD CCCCNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NNC(=O)CN(C)C)c1 799834981 LPOAVYVVWWCGQN-UHFFFAOYSA-N 413.500 -0.279 50 20 HBGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)CSCC(=O)N1CCOCC1 817052106 VIFWCOKOHVATPP-UHFFFAOYSA-N 416.525 -0.028 50 20 HBGD O=C(CN1CCN(CCI)CC1)N[C@H]1CCS(=O)(=O)C1 1255808462 ZLVLGQYVKIJXQZ-NSHDSACASA-N 415.297 -0.658 50 20 HBGD C[C@@H](CCS(C)(=O)=O)NC(=O)NNC(=O)c1csc(N2CCOCC2)n1 1319158370 VRMNZKMTIGFLBM-JTQLQIEISA-N 405.502 -0.253 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc[nH]n3)[C@H]2C1 1784681628 XUXRUUHFHHOKKV-PJODQICGSA-N 413.438 -0.685 50 20 HBGD Cn1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)c1 1786979513 SEUVRSGFDVAAKJ-WDSOQIARSA-N 411.267 -0.388 50 20 HBGD C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)n1ccccc1=O 1788746866 VOQOGCRKHQNBTF-QXKUPLGCSA-N 411.886 -0.011 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1F)C2 1801013439 XOFOFPCZWLXNMO-IVWMJMPLSA-N 407.446 -0.203 50 20 HBGD CS(=O)(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1803262412 HHKDKDZYMUAGLI-MUJYYYPQSA-N 408.285 -0.947 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)[C@@H]2CCCS2(=O)=O)C1 1845913404 DYNBYGDNTJJZNB-AWEZNQCLSA-N 421.479 -0.921 50 20 HBGD Cn1c(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc2c(=O)n3ccccc3nc21 728384720 HUBANSHUAPYRTJ-SNVBAGLBSA-N 403.420 -0.618 50 20 HBGD COCCN1C(=O)c2ccc(C(=O)NNC(=O)Cc3cccnc3)cc2S1(=O)=O 728856735 XWNIPWXWARCJET-UHFFFAOYSA-N 418.431 -0.124 50 20 HBGD CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1 729275003 JIFYECHOHPYNJG-MNOVXSKESA-N 420.513 -0.538 50 20 HBGD COc1cc(OC)cc(C(=O)NNC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1 742473317 AZUDZOOTKSTIBU-XOUADPBQSA-N 403.391 -0.373 50 20 HBGD O=C(O)CCCOc1ccc(S(=O)(=O)NNC(=O)[C@H]2COCCO2)cc1F 745978033 BGYFPAQZISDDSN-CYBMUJFWSA-N 406.388 -0.206 50 20 HBGD O=C(NNC(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O)C(=O)N1CCCC1 748240025 OYWBINZIEWHWRB-UHFFFAOYSA-N 406.420 -0.623 50 20 HBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c(C)o1 754745340 PYGHWXOFXUBAEM-UHFFFAOYSA-N 406.380 -0.026 50 20 HBGD CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)CNC(=O)c2cccnc2)cc1 763818345 IGKDVLFUGLEMKC-UHFFFAOYSA-N 405.436 -0.429 50 20 HBGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccc(CCN2CCOCC2)cc1 764431427 CTEOFJGOYFSLOC-INIZCTEOSA-N 406.439 -0.937 50 20 HBGD CO[C@]1(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CCOC1 764811676 VGOMUQRBVAYWSJ-INIZCTEOSA-N 400.457 -0.314 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2csc3c2CCCC3)n(C)c1=O 765730867 PENJTAPMWKDMNF-UHFFFAOYSA-N 416.463 -0.165 50 20 HBGD CC(C)(C)OC(=O)NCC(=O)NNS(=O)(=O)c1ccc(OCC(=O)O)cc1 777941267 QSOFVOZXLGMQBX-UHFFFAOYSA-N 403.413 -0.016 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccccc2OC2CC2)n(C)c1=O 807091678 NTALCAVUIUGUJD-UHFFFAOYSA-N 412.406 -0.564 50 20 HBGD O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)NNc1nc[nH]n1 816631066 FLOACKABDSPYFN-UHFFFAOYSA-N 407.456 -0.439 50 20 HBGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CC[C@@H](B(O)O)C2)o1 864230607 BAXORQTYVJKHPB-NEPJUHHUSA-N 414.245 -0.315 50 20 HBGD CCn1nc(C(=O)NNC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)c2ccccc2c1=O 914532400 IIXWMUCWGAZIME-LBPRGKRZSA-N 421.479 -0.704 50 20 HBGD Cc1cc(NC(=O)CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)no1 1792978122 DMDLAGVUMAKEJH-BUWBCJGYSA-N 414.846 -0.499 50 20 HBGD CCC(=O)N[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1793454152 AJTVTDMEQYOIFF-YIYPIFLZSA-N 416.482 -0.148 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2)c1ccc(B(O)O)cc1 1795734846 YOPGNGZXHVZXOW-HATOLVCRSA-N 418.258 -0.379 50 20 HBGD C[C@@H](Nc1cnccn1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796188705 KOVYPQGSNIIMFG-NKGKWGDASA-N 423.282 -0.091 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](N)Cc1cccnc1 1796848450 QMXDVFBARGTZDZ-MHORFTMASA-N 416.526 -0.037 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)C1=COCCC1 1801046974 CRLAMTFBEXLTLM-ALXJQNPVSA-N 400.240 -0.736 50 20 HBGD CN(C)CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1812870846 CJGIUSFJRNRABE-CYBMUJFWSA-N 402.285 -0.390 50 20 HBGD O=C([C@H](O)CCl)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)c3ccccc3)C2)C1 1830722581 DQUQMRJFLANYIE-JTDSTZFVSA-N 412.870 -0.224 50 20 HBGD Cc1noc(N)c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830722619 GLPXJWULPZRSET-BDJLRTHQSA-N 402.835 -0.765 50 20 HBGD CCOC(=O)/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830724984 KRQSPRZGPOMQMA-IXYMFUOYSA-N 404.847 -0.838 50 20 HBGD C[C@](O)(C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1)C(F)(F)F 1830725638 LFOUTJHFRNITEP-SWHYSGLUSA-N 418.796 -0.644 50 20 HBGD O=C(c1[nH]nc2ccncc12)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830727961 LLVUZJNEPKNCDK-RDTXWAMCSA-N 423.857 -0.372 50 20 HBGD Cc1n[nH]c(C)c1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830734037 ZMUJUANUPJRXCS-QAPCUYQASA-N 414.890 -0.375 50 20 HBGD O=C(c1ccn(C(F)F)n1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1838030985 VBKWXQDKSVPPGT-BLLLJJGKSA-N 422.816 -0.052 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCC3)C2)C1 1840149329 LWLNTPUNCWQKGU-QAPCUYQASA-N 403.907 -0.208 50 20 HBGD CN1CCCC[C@H]1C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1841366885 SFMWZQQACFVRCF-INIZCTEOSA-N 400.483 -0.014 50 20 HBGD C[C@H](CC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1 729171078 KVAORFDFGSNZCC-MNOVXSKESA-N 406.457 -0.040 50 20 HBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc(S(=O)(=O)N(C)OC)cc1 740852490 CBYJBORLDCPJLA-UHFFFAOYSA-N 400.457 -0.066 50 20 HBGD COc1ccccc1-n1cc(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cn1 743257939 SBJUMOFJBHRNRD-JTQLQIEISA-N 417.469 -0.872 50 20 HBGD COc1cccc(NCC(=O)NNC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1 743295359 JZQCKZCBPJGWCU-OMNBBPDLSA-N 402.407 -0.583 50 20 HBGD C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NNC(=O)C(=O)N1CCCC1)C2=O 748247154 UZJUWTAAEXBFFT-HXPMCKFVSA-N 407.471 -0.107 50 20 HBGD COc1ccc(C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)c(OC)c1 755337032 MGFGUUJQVPJLBZ-SNVBAGLBSA-N 411.440 -0.435 50 20 HBGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)NCCN1CCCS1(=O)=O 763482420 LGNGOZVGIKHUCM-UHFFFAOYSA-N 407.493 -0.343 50 20 HBGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)cc1Br 764424681 KIULITBMUKMBQQ-NSHDSACASA-N 402.201 -0.041 50 20 HBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1 772004618 NDOLSBPSZRYPFA-LLVKDONJSA-N 401.441 -0.598 50 20 HBGD Cc1ccn(-c2ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc2)n1 793027011 USXNMALMDNGDFZ-LLVKDONJSA-N 408.440 -0.796 50 20 HBGD O=C(CCc1cncnc1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 794200586 NVLIMECEOULCIF-UHFFFAOYSA-N 419.463 -0.109 50 20 HBGD Cn1[nH]cc2c(=NC(=O)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)ccnc1-2 806977848 BBZHTMJXWMVOPU-UHFFFAOYSA-N 419.442 -0.267 50 20 HBGD CN(C)CCN1C(=O)C(=NNC(=O)CSc2nnc(O)nc2O)c2ccccc21 807958703 DUDRIUMSSWUYDT-UHFFFAOYSA-N 417.451 -0.196 50 20 HBGD O=C(C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)N1CC[C@@H](B(O)O)C1 864234098 MMMVGNUXIRUDMU-CQSZACIVSA-N 424.284 -0.066 50 20 HBGD O=C(Cc1c[nH]c2ccccc12)NNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 912953251 ZBPPNINELYDOSM-KGLIPLIRSA-N 418.475 -0.107 50 20 HBGD O=C(Cc1ccncc1)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1780987717 DJGWMPXMNGIJEF-NRFANRHFSA-N 409.251 -0.552 50 20 HBGD Cc1ncncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786981059 NPOYKNBCQIGYBC-SNRMKQJTSA-N 424.266 -0.628 50 20 HBGD Cc1[nH]ccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786982852 FCHIGLKDPCSEAG-SNRMKQJTSA-N 411.267 -0.090 50 20 HBGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H](O)CN1)C2 1792872589 QAHGDXFECDCNIY-NKTODWNOSA-N 404.305 -0.670 50 20 HBGD COC(=O)C12CC(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@@H](O)CCl)(C1)C2 1792983744 MWXMHMKGWGYOIQ-PCTZJPQOSA-N 400.859 -0.481 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC(c3ccccc3)=NN1)C2)[C@@H](O)CCl 1792984226 WOGVYLDBABYCID-YFUQURRKSA-N 420.897 -0.058 50 20 HBGD C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1793349431 QLHCDBXKDGBMEH-XEMDLRDOSA-N 416.283 -0.448 50 20 HBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)Cc1cscn1 1796307170 LNZGVSONVMTXIG-HZZBMVKVSA-N 416.931 -0.144 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2)[C@H](F)Cl 1796362845 HJFASMDDJOOPST-XXEYQXHCSA-N 420.850 -0.424 50 20 HBGD C[C@]1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)CCCN1 1797752978 PRXCWKSUGSFZDS-XBMZAUBUSA-N 416.482 -0.970 50 20 HBGD COC[C@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CO[Si](C)(C)C 1797957030 ZITHPXMYSFFMMI-IVSAIRAKSA-N 415.563 -0.421 50 20 HBGD COCCOCCOCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1800836604 PJOOJAAJCYMLLK-JYYAWHABSA-N 422.906 -0.755 50 20 HBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2C=CCN2)[nH]n1)c1ccc(B(O)O)cc1 1817471150 BHUOGBFKICADBR-DOTOQJQBSA-N 409.255 -0.077 50 20 HBGD O=C(NC1CCN(C2CCN(C(=O)CN3C(=O)CNC3=O)CC2)CC1)[C@@H](F)Cl 1835078869 BJPDCEMWQLDIOW-OAHLLOKOSA-N 417.869 -0.356 50 20 HBGD Cc1ocnc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1838208673 VKDWUWAIJOCGEY-IBGZPJMESA-N 423.470 -0.574 50 20 HBGD C[C@@H](CBr)C(=O)N1CCCC12CN(C(=O)CNCP(=O)(O)O)C2 1841287104 SQUGLNOOCJQMED-JTQLQIEISA-N 412.221 -0.054 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 1842000818 RNNWIFDUICHYMQ-UHFFFAOYSA-N 407.431 -0.632 50 20 HBGD Cc1cc(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)nc2nccn12 1843012241 RYAFHVNWBANUJG-UHFFFAOYSA-N 419.250 -0.152 50 20 HBGD COc1ccnc(NNC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)n1 726710580 HLTCMZVSPOLYNU-UHFFFAOYSA-N 401.431 -0.360 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNS(=O)(=O)c2ccn(C)n2)cc1 727350617 RJAIKGDIJFJNBT-UHFFFAOYSA-N 401.470 -0.641 50 20 HBGD CCC(=O)NNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 732196060 XPJUQGGZQCFKQD-LBPRGKRZSA-N 413.456 -0.153 50 20 HBGD Cc1cc(C(=O)NNC(=O)COc2ccc(C#N)cc2)nc2c1c(=O)n(C)c(=O)n2C 737767042 PCRCUOJIAPJDSV-UHFFFAOYSA-N 422.401 -0.348 50 20 HBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c[nH]1 743256426 BXESDQHRBPJXAC-UHFFFAOYSA-N 408.440 -0.183 50 20 HBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCN(S(=O)(=O)CCOC(C)C)CC1 747847293 NREWOIMXPXHDIR-HNNXBMFYSA-N 406.549 -0.059 50 20 HBGD CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)NNC(=O)[C@H]2COc3ccccc3O2)C1=O 752024001 QKQUKZKNZURGJP-SZEPBZDZSA-N 417.422 -0.123 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1nc(CN2CCOCC2)cs1 755456459 WGUYEUJZYNYQCH-SECBINFHSA-N 406.490 -0.934 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 757987611 YDBLZZIUHYQITR-SECBINFHSA-N 409.403 -0.027 50 20 HBGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1 771145670 XKQGGYYUDNXSTM-UHFFFAOYSA-N 424.476 -0.189 50 20 HBGD O=C(NCCNC(=O)c1cc[nH]n1)NNC(=O)C1CCN(c2ncccn2)CC1 780008049 SPGRIRCIIZZHCD-UHFFFAOYSA-N 401.431 -0.824 50 20 HBGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 784003286 SYFUDBPLCWHRHQ-UHFFFAOYSA-N 412.410 -0.617 50 20 HBGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)CNS(=O)(=O)c1cccnc1 810812875 CHEKEXKDULFQNE-UHFFFAOYSA-N 415.472 -0.188 50 20 HBGD Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 1318798719 DDIORFUGRSRTAL-LBPRGKRZSA-N 415.493 -0.269 50 20 HBGD Cn1nnc(Br)c1C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 1327511933 COXIACYMIIWUDG-UHFFFAOYSA-N 406.200 -0.101 50 20 HBGD O=C(c1c[nH]c(=O)cn1)N1CC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1780248325 BDTDIJGAKADIMZ-FZMZJTMJSA-N 403.208 -0.096 50 20 HBGD CC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@@H]21 1789858852 RKLPAVLPCAUTPD-VLJOUNFMSA-N 400.863 -0.418 50 20 HBGD CCn1nccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1794884809 XMHUVDARCVQVOX-JLVBRIDZSA-N 412.255 -0.900 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@]1(F)Cl)C2)c1cccc(B(O)O)c1 1795740768 KYMBRUIHLPTYFT-ORABNUQBSA-N 410.638 -0.506 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Cl)C2)c1n[nH]c2c1CS(=O)(=O)C2 1795929523 DGFLHOSEHMNSIC-LVNATWPUSA-N 420.850 -0.424 50 20 HBGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830726096 ULPHLYURVRIYFC-RISCZKNCSA-N 413.696 -0.173 50 20 HBGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3C(=O)CNC3=O)CCO2)C1 1832332916 YJPUTWYKTBPXDC-SJCJKPOMSA-N 416.862 -0.988 50 20 HBGD Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cn1 1833126741 PHHIANOFZJJUIE-VQIMIIECSA-N 411.886 -0.011 50 20 HBGD O=C(NC1CCN(C2CCN(C(=O)c3ccnnc3O)CC2)CC1)[C@H](O)CCl 1833311940 GLKADXFKZQRWFM-OAHLLOKOSA-N 411.890 -0.033 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)nn3)CCO2)C1 1833837086 OGRRWWONQPNONW-PXAZEXFGSA-N 414.846 -0.494 50 20 HBGD CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)CCC1 1835925992 GRWFZHJWLVWXIM-OAQYLSRUSA-N 416.283 -0.373 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1 1839153615 LZELYKMDYLCDBL-HOTGVXAUSA-N 421.281 -0.445 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2n[nH]c3c2CS(=O)(=O)C3)C1 1843131135 ZAZUBRSSYSUWQS-LLVKDONJSA-N 416.887 -0.091 50 20 HBGD C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847434720 FWZQZFIYZOBTFF-GWFJUFKTSA-N 423.897 -0.033 50 20 HBGD C[C@H](Oc1cccc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)c1)C(=O)O 746683113 RPZXSGLLFUJEGY-JTQLQIEISA-N 421.435 -0.427 50 20 HBGD COC(=O)c1ccc(OC)c(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 747608743 LPNZUPWJWLBEOP-SNVBAGLBSA-N 421.453 -0.839 50 20 HBGD O=C(NNC(=O)c1ccc(S(=O)(=O)N=c2cc[nH]cc2)cc1)C(=O)N1CCCC1 748241307 VILLQNLGQQPWJU-UHFFFAOYSA-N 417.447 -0.312 50 20 HBGD Cc1ccc(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)c1C(=O)O 753774320 HZTGEIKSZXGSLM-SNVBAGLBSA-N 405.454 -0.319 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccc(Cl)c1 758030952 UIXCMGGYKYFDQN-BHYNMZESSA-N 416.887 -0.056 50 20 HBGD N#Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cccnc2N2CCOCC2)cc1 763680754 GKPVXENRMHAPSA-UHFFFAOYSA-N 424.417 -0.045 50 20 HBGD COc1cc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)ccc1Br 764432910 KGMTXTCBVTWLHI-LLVKDONJSA-N 402.201 -0.041 50 20 HBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccccc1S(=O)(=O)N1CCOCC1 771993568 PHWQPIHDYXWEQV-LBPRGKRZSA-N 413.452 -0.190 50 20 HBGD C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NNC(=O)[C@@H]1CCc2nncn2C1 816876179 PVYUDFRSRISGJP-DGCLKSJQSA-N 417.451 -0.773 50 20 HBGD COc1ccc(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)nn1 1322000155 MYRXHEINZIBBAJ-UHFFFAOYSA-N 407.456 -0.427 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccncc3O)C2)C1 1779413730 MCDCFLPINBENOO-IBGZPJMESA-N 405.455 -0.396 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(=O)oc1)CCO2 1783936243 JJMQSEWBBLNOMW-LJQANCHMSA-N 406.439 -0.544 50 20 HBGD CC(C)OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797748096 HYJDSVYBUWROET-FVCICTRLSA-N 405.455 -0.687 50 20 HBGD CCC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)N1CCOCC1 1797802785 NUMGBIOVTQGCHU-DTFBLWLJSA-N 403.907 -0.366 50 20 HBGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1800974841 FGOGYRHLVHSFSO-LMLFDSFASA-N 401.807 -0.225 50 20 HBGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1800977227 VCGPLVCJPZQTSN-DTHBNOIPSA-N 401.807 -0.225 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(F)n1)C2 1801011295 GZYCJPVESYMQNE-IVWMJMPLSA-N 407.446 -0.203 50 20 HBGD CC(=O)O[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2)C(C)C 1830731182 IKNSZYJBXBKURE-MPGHIAIKSA-N 420.890 -0.370 50 20 HBGD CC/C=C(\C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835933594 CTULWDCKPQLLKP-WHMRNBQXSA-N 416.283 -0.207 50 20 HBGD CC[C@H](C)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835934255 RTIWOFDNKQTXNK-HRAATJIYSA-N 418.299 -0.127 50 20 HBGD O=C(Cn1cncn1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1836138142 ZDISUJKCDMNKFG-GXTWGEPZSA-N 420.239 -0.575 50 20 HBGD CN(C)C(=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199907 ZGYDBZQIPSLUQV-IINYFYTJSA-N 410.240 -0.779 50 20 HBGD O=C(c1cc(O)nc(O)n1)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840187459 CCFKIBBYRCBPCV-HNNXBMFYSA-N 421.237 -0.239 50 20 HBGD O=C(COc1ccc(F)cc1)NNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 729300345 RJILAXURSNUACK-AWEZNQCLSA-N 408.430 -0.467 50 20 HBGD CC(C)(C)OC(=O)N1CCC(NC(=O)NNC(=O)CCNS(C)(=O)=O)CC1 734824827 JSDAUBFUZBVGPB-UHFFFAOYSA-N 407.493 -0.344 50 20 HBGD C[C@H](C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 744349995 PDFFVQXYYGZRMP-LXOGICJWSA-N 402.363 -0.093 50 20 HBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)Nc1ccc(S(=O)(=O)NC2CC2)cc1 756775800 KQJLAJXNCAALAN-JTQLQIEISA-N 416.481 -0.285 50 20 HBGD CCc1csc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)n1 756814457 KQEIHJNRGYFNCT-UHFFFAOYSA-N 406.428 -0.695 50 20 HBGD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1F 760343143 BPDJAFKIQNYWIY-QMMMGPOBSA-N 410.405 -0.278 50 20 HBGD Cc1cccc(C2(C(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)c1 766639074 LUBBLOQTNDWJNW-UHFFFAOYSA-N 410.434 -0.379 50 20 HBGD CCOc1ccc(S(=O)(=O)NCC(=O)NNC(=O)C(C)(C)O)cc1OCC 768245377 RWRCOWOUVWYKBO-UHFFFAOYSA-N 403.457 -0.319 50 20 HBGD COc1cc(OC)cc(C(=O)NCC(=O)NNc2nc(O)c3cnn(C)c3n2)c1 771020525 JZEACQFZPRWOJX-UHFFFAOYSA-N 401.383 -0.041 50 20 HBGD Cc1csc(CC(=O)NNC(=O)CN2CCC[C@@H](N3CCCS3(=O)=O)C2)n1 789371279 SFGKJMHPDFIXBV-CYBMUJFWSA-N 415.541 -0.359 50 20 HBGD Cn1nncc1C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 798351076 PHVXSHYNRYMCLM-UHFFFAOYSA-N 422.467 -0.770 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4ncnn4c3)C[C@@H]21)[C@H](O)CCl 1784092139 HPBJQKQDPOBMKP-XQLPTFJDSA-N 407.858 -0.078 50 20 HBGD CC(C)OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786978782 USPMDHDTQXJMKU-SZMVWBNQSA-N 404.272 -0.615 50 20 HBGD NC(=O)CC[C@H](N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]2C1 1789922589 MGYCQGXJXBMNHM-CCJOIDDDSA-N 423.283 -0.751 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccns1 1794533945 MQRMSONAWZRVTP-YWVIFJGQSA-N 401.253 -0.660 50 20 HBGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1 1795285284 QJCGMMQDDPTGQK-VXUPGSCNSA-N 402.289 -0.114 50 20 HBGD COc1nn(C)cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796190818 OWQGVRCRJYZIGR-MUJYYYPQSA-N 412.255 -0.326 50 20 HBGD O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Br 1800156746 AGCFIRPWCPGEKH-KHWQERMQSA-N 405.224 -0.087 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCC2(CCCN(C(=O)C3CC(O)C3)C2)CC1 1805417028 PCNRWPJAHRPJIZ-UHFFFAOYSA-N 400.284 -0.018 50 20 HBGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)[C@@H]1C=CCN1 1808216685 YCNWPNUKLBYUEN-YSIASYRMSA-N 420.278 -0.391 50 20 HBGD O=C(c1cnc(Cl)nc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830720272 VSPBEJVGBAFNCF-BLLLJJGKSA-N 419.265 -0.200 50 20 HBGD O=C1CCCCN1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830737676 HZCZZPWHLOZWEL-KBXCAEBGSA-N 417.890 -0.945 50 20 HBGD O=C([C@@H](O)CCl)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC[C@H](O)CC3)C2)C1 1830737847 JBKDLYDZRAPILT-YRBFXIGRSA-N 404.891 -0.406 50 20 HBGD Cn1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(Cl)Cl)C3)C2)cc1O 1833410219 FGTMIZLLBLNHOX-HNNXBMFYSA-N 407.254 -0.001 50 20 HBGD Cn1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Cl)C3)C2)cccc1=O 1833872169 UDYROHAZKYEIAF-YOEHRIQHSA-N 401.822 -0.010 50 20 HBGD CC(C)(C)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1834781523 JGFLKXUDJIEARA-OAQYLSRUSA-N 418.299 -0.127 50 20 HBGD O=C(Cn1ccnn1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1836211084 VXUXLABRGAWXBN-GXTWGEPZSA-N 420.239 -0.575 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@H]3F)C2)C1 1837459295 BICNYXJSUODIBF-ZBQZNYHESA-N 421.429 -0.887 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC3(F)F)C2)C1 1840184193 CCHFDZYOPLVQAA-DYVFJYSZSA-N 418.441 -0.529 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@H]2[C@@H]1CCN2C(=O)C1CCC(CO)CC1 1848081126 LQNIADYDTXFYBO-BURPLHJFSA-N 400.284 -0.020 50 20 HBGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)CNC(=O)c2ccco2)ccc1OC 725740448 VMRCIBSGFFUORI-UHFFFAOYSA-N 410.408 -0.613 50 20 HBGD CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NNC(=O)Cc2cccnc2)c1 728852244 VUEZCZKDGOXWMB-UHFFFAOYSA-N 421.479 -0.336 50 20 HBGD Cc1nc2ccccn2c1C(=O)NNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 746385429 CKFZGNOTDFDLKY-HNNXBMFYSA-N 414.466 -0.416 50 20 HBGD NS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)cc1 748569697 YQQNKKUFINIOAJ-AWEZNQCLSA-N 404.404 -0.576 50 20 HBGD COCCO[C@@H](C)C(=O)NNC(=O)NCc1ccccc1S(=O)(=O)N(C)C 748612943 GQKUQJIVVRAMAG-LBPRGKRZSA-N 402.473 -0.181 50 20 HBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c1c(C)nn(C)c1C 772161477 XTIASOSNHOVPDZ-KOLCDFICSA-N 403.461 -0.807 50 20 HBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 778433290 JIWDYOXWKFZESK-CYBMUJFWSA-N 422.417 -0.082 50 20 HBGD COC(=O)Cn1ncc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)c1C 797003122 WUSYWEZMMBHYNL-CQSZACIVSA-N 401.379 -0.546 50 20 HBGD CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)NN(C)C(N)=O)ccc2F)CC1 801181438 PKTJNJLVXPFCHM-UHFFFAOYSA-N 401.420 -0.666 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 806787844 NLOATGMZUNUXST-NSHDSACASA-N 411.459 -0.001 50 20 HBGD CCNC(=O)N(C)NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1OC 1116614658 LEAFGUAAEWMKHV-ZDUSSCGKSA-N 414.484 -0.079 50 20 HBGD CC[C@@H](NC(N)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2 1777976747 CEQRPIHPFWFGSE-IPJQOSJUSA-N 404.895 -0.453 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)COc3ccc(O)nn3)C2)C1 1782679981 MYYRXQCTUAJCOT-SJCJKPOMSA-N 414.846 -0.355 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)[C@H]3[C@H]4SC=C[C@H]43)C2)C1 1782736229 MJZKOYJWVWBCPB-CLWJZODNSA-N 414.292 -0.315 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCC3)CCO2 1783934498 HOFIEYOTVLYKAW-FQEVSTJZSA-N 418.498 -0.354 50 20 HBGD C[C@@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=N)N)[C@H]2C1 1786804680 NGYXZXJQWSTGEV-BJDJZHNGSA-N 404.309 -0.520 50 20 HBGD CC(=O)N1CCN(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](F)Cl)[C@H]3C2)CC1 1787446934 ZSAUXCZEJCGYPQ-QBYUYEEZSA-N 418.897 -0.335 50 20 HBGD Cc1cnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)cn1 1791288609 LOAFBUBFXLHTBN-ZOBUZTSGSA-N 418.498 -0.249 50 20 HBGD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)cnc1C 1794260048 DVEAKEITTPGYOK-OPVJXMOQSA-N 423.278 -0.105 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1ccccc1=O)C2 1798439226 QBZBIQGMRSUGBP-QDMKHBRRSA-N 424.461 -0.201 50 20 HBGD O=C1NC[C@@H](C(=O)N2CCCC3(CCN(C(=O)c4cccc(B(O)O)c4)CC3)C2)O1 1806108890 OMGHLCAILMIHKS-INIZCTEOSA-N 415.255 -0.680 50 20 HBGD CN(C)CC(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1806454383 HPBBMTBBSMDGJB-PXNSSMCTSA-N 410.283 -0.357 50 20 HBGD O=C(NC[C@H]1CCN(C(=O)[C@H]2C[C@@H](O)C2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374179 FDGGQAQKHVBOJO-JYBIWHBTSA-N 423.278 -0.148 50 20 HBGD CN(C)C(=O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817474880 IQWWUKNLRLKCQU-HNNXBMFYSA-N 413.243 -0.516 50 20 HBGD Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)on1 1830726972 YPORLLMLGFZPMP-RHSMWYFYSA-N 401.847 -0.418 50 20 HBGD Cc1onc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1C 1831971988 WHFUJOKGGZWXCX-GUYCJALGSA-N 401.847 -0.039 50 20 HBGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C=CCN3)C2)C1 1834821445 KNLROEHNYOATHB-XJKSGUPXSA-N 402.289 -0.244 50 20 HBGD CC(C)(C)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835929445 PBRUASGMJYAWNS-OAQYLSRUSA-N 418.299 -0.127 50 20 HBGD O=C([C@@H](O)CCl)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CCO2 1840047847 JCBDWQQKGCUKMF-AZSHCRGASA-N 402.875 -0.390 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(F)F)C2)C1 1840183933 IRRJOJSNKGOUEH-QGZVFWFLSA-N 406.430 -0.529 50 20 HBGD C=CC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(Cl)Cl)CCO2)C1 1840188358 FYCFTWKOLJZGQT-ZBEGNZNMSA-N 408.282 -0.063 50 20 HBGD O=C(CNS(=O)(=O)c1ccc(Br)s1)NNC(=O)c1cnn[nH]1 729458250 PVIRRVBVBFSDRD-UHFFFAOYSA-N 409.247 -0.632 50 20 HBGD CCC(CC)NC(=O)C(=O)NNC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O 740853272 MROPYGFQJFFECR-IBGZPJMESA-N 403.439 -0.094 50 20 HBGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NNc1cc(Cl)nc(N)n1 753464075 IWKDOFKDVPMNMN-ZETCQYMHSA-N 402.868 -0.127 50 20 HBGD CCOCC(=O)NNC(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 756551734 XJKPDKKNGNACHO-UHFFFAOYSA-N 400.461 -0.648 50 20 HBGD COC(=O)c1cn([C@H]2CCN(C(=O)NNC(=O)CNC(=O)c3ccco3)C2)nn1 760668359 HIHFVCRQSBJSCW-JTQLQIEISA-N 405.371 -0.925 50 20 HBGD CNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(F)cc2)cc1 763837585 JCICOSVBEPELJY-UHFFFAOYSA-N 424.410 -0.101 50 20 HBGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)nn1-c1ccccc1 764227100 MCGDETRSECXHOQ-NSHDSACASA-N 408.440 -0.796 50 20 HBGD C#CCN1CCC(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)CC1 766636323 NWHBIKMROGRYAQ-UHFFFAOYSA-N 411.506 -0.063 50 20 HBGD CCN1CCN(c2cccc(NC(=O)C(=O)NN[C@@]3(C)CCS(=O)(=O)C3)c2)CC1 783427398 SLTQBGPUMBVTPO-IBGZPJMESA-N 423.539 -0.035 50 20 HBGD O=C(COC(=O)C1=NC=CN2CCS(=O)(=O)N=C12)NNC(=O)c1cccs1 844199747 RWQPMNAOJLJWKW-UHFFFAOYSA-N 411.421 -0.978 50 20 HBGD CN(C)S(=O)(=O)c1cccc(NC(=S)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 1337047360 QOPPJYOMWVTJST-JTQLQIEISA-N 420.538 -0.311 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1778854926 YNRNBXQZPUFGLF-BONVTDFDSA-N 415.292 -0.067 50 20 HBGD CC[S@@](=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783934396 GGXPWIVDGFKVHX-XDBZFTIUSA-N 416.544 -0.652 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)c1c(O)cc(O)cc1O 1790155549 ZAUFWIUMBXSNMR-NDMCHQMPSA-N 414.842 -0.004 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1nnc3ccccc31)C2)[C@@H](O)CCl 1792975189 LRBYHNOTDHIXCG-RBNVPPIJSA-N 407.858 -0.379 50 20 HBGD CC1=C(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)CCO1 1795734486 JYWRVXCBYQOFHK-JLVBRIDZSA-N 400.240 -0.736 50 20 HBGD CN1CC(C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)C1 1807368210 QLHPEUQPQWLVEN-XLIONFOSSA-N 422.294 -0.357 50 20 HBGD CCn1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)n1 1830726134 WARLOPYWQSAEAE-PBHICJAKSA-N 400.863 -0.427 50 20 HBGD CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837457054 UJVPNORHQASBPN-IBGZPJMESA-N 405.455 -0.445 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837708876 RCASOAZHTUIZDY-CZUORRHYSA-N 408.955 -0.106 50 20 HBGD O=C(c1cnn2c1CCC2)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839530751 HQCIWXQWVYOVEL-MAUKXSAKSA-N 412.874 -0.501 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc(-c3ccccc3)on2)n(C)c1=O 27257847 CCSIRWQXQAULFM-UHFFFAOYSA-N 423.389 -0.450 50 20 HBGD O=C(Cc1ccc(O)cc1)NCC(=O)NNC(=O)c1csc(N2CCOCC2)n1 726868702 FFOBYWAASRJFCB-UHFFFAOYSA-N 419.463 -0.195 50 20 HBGD COC(=O)CN(CCN1CCOCC1)CC(=O)NNC(=O)c1cccc(Cl)c1 731845973 HFERHIIMFVQBMY-UHFFFAOYSA-N 412.874 -0.092 50 20 HBGD O=C(CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NNC(=O)c1cccc([N+](=O)[O-])c1 742462983 JFIPNOBVHDRVBP-QHSBEEBCSA-N 402.363 -0.092 50 20 HBGD CN1CCO[C@@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)C1 746092825 FBRTUEPIBITEBT-MRXNPFEDSA-N 410.496 -0.047 50 20 HBGD O=C(NNC(=O)[C@@H](c1ccccc1)N1CCC(O)CC1)N[C@H]1CCS(=O)(=O)C1 751461497 UBCHPMDHDNJPLU-GOEBONIOSA-N 410.496 -0.298 50 20 HBGD Cc1cccc(N2CCN(S(=O)(=O)CC(=O)NNC(=O)Cc3cc[nH]n3)CC2)c1 755279572 OTZFQJWDMOZKIE-UHFFFAOYSA-N 420.495 -0.440 50 20 HBGD CCOC(=O)N1CCN(S(=O)(=O)NNC(=O)c2cccc(OC)c2O)CC1 755963223 UCGIHMUSPVJGFW-UHFFFAOYSA-N 402.429 -0.346 50 20 HBGD Cc1nc(C)c(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)s1 757591408 RPNMXKPDHPNZBC-UHFFFAOYSA-N 406.428 -0.640 50 20 HBGD CN1C(=O)NC2(CCN(CC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1=O 761104249 DSMFNSWQEJSDND-UHFFFAOYSA-N 404.383 -0.628 50 20 HBGD CCCCCn1nc(C)cc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764226425 ILZSKOMFJNMLEW-LLVKDONJSA-N 402.477 -0.595 50 20 HBGD Cc1c(Br)cc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c(=O)n1C 765846874 IBGFUEXKTSTYBV-LURJTMIESA-N 409.262 -0.845 50 20 HBGD CN(C)CCS(=O)(=O)c1ccccc1C(=O)NNC(=O)CNC(=O)c1ccco1 767373022 KFUQVZKDMJPFTD-UHFFFAOYSA-N 422.463 -0.194 50 20 HBGD CCN(CC)S(=O)(=O)CC(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772899182 ZGCDNMNHXLZMAR-UHFFFAOYSA-N 404.876 -0.225 50 20 HBGD Cc1cccc(C(=O)NNC(=O)CN2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)c1 779623210 ZLKRJJZDGUEXTH-QGZVFWFLSA-N 424.523 -0.118 50 20 HBGD CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)NCC(=O)OC)cc1 779846677 NOUZDFHBCQNJKE-UHFFFAOYSA-N 422.485 -0.617 50 20 HBGD COc1ccc(S(N)(=O)=O)cc1C(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1 912918846 FLZUMKVEZOXFON-VXGBXAGGSA-N 414.484 -0.397 50 20 HBGD CC(C)S(=O)(=O)c1ccc(CC(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 1320075845 HJIHSYXZTBZEOP-CYBMUJFWSA-N 417.509 -0.071 50 20 HBGD O=C(NNc1ccc(-n2ccnc2)nn1)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 1324423056 SJPFIIROQDHYHU-RYUDHWBXSA-N 405.440 -0.859 50 20 HBGD Cc1nocc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779030896 JTWRXTFSBGTCPF-LJQANCHMSA-N 414.422 -0.261 50 20 HBGD Cc1ccn(C)c1C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1780405381 VROWFWLILGSWBK-NRFANRHFSA-N 411.267 -0.229 50 20 HBGD CCC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CNC3=O)[C@H]2C1 1784950327 ATGTZXNWSZKXCI-FQUUOJAGSA-N 414.890 -0.075 50 20 HBGD O=C(Cc1ccsc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1795828459 CHYFZWFOICGJCQ-HGKCTWBKSA-N 414.292 -0.126 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CC(=O)NC1=O)C2 1799274037 PBVOUEWOBSNARD-HMVGFALLSA-N 421.281 -0.636 50 20 HBGD COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)n(C)n1 1801009595 PVQVBGYXBSLBJS-IVWMJMPLSA-N 422.486 -0.995 50 20 HBGD C[C@H](CN)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807011854 QZGWHMKDZGLUFG-LJHODMEESA-N 410.283 -0.324 50 20 HBGD O=C([C@H](O)CCl)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC[C@H](O)CC3)C2)C1 1830737834 JBKDLYDZRAPILT-ATNYBXOESA-N 404.891 -0.406 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncnn3C)CCO2)C1 1833846445 MWYVFFXZUIDNGR-LRDDRELGSA-N 401.851 -0.861 50 20 HBGD O=C(/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1)NC1CC1 1837250907 SVSSSBPZNQJPIH-OEQZANGBSA-N 403.838 -0.188 50 20 HBGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(O)[nH]3)C2)C1 1840033791 QEQRVDHGEPMDFA-BMIGLBTASA-N 417.260 -0.031 50 20 HBGD CS(=O)(=O)N1CCC[C@@H]1C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1 726863348 OFXKVCMKXKFHKA-CQSZACIVSA-N 402.498 -0.006 50 20 HBGD Cn1nc(Br)c2c(=O)n(CC(=O)NNC(=O)c3cccnc3)cnc21 727096430 PNEMADBNLHVEFG-UHFFFAOYSA-N 406.200 -0.251 50 20 HBGD Cc1ccc(S(=O)(=O)NCC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1C 732307548 JYHDFIRFFXPTPK-LBPRGKRZSA-N 403.482 -0.836 50 20 HBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)ccc1Cl 757471146 DKSPUPNVTLJUEN-QMMMGPOBSA-N 410.857 -0.129 50 20 HBGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)N[C@H]2CCCS(=O)(=O)C2)nc1 758664621 VKMGHABSQSXFCF-NSHDSACASA-N 405.502 -0.028 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NNC(=O)C(C)C 763817390 JCWKMUUKSIBZBP-UHFFFAOYSA-N 412.468 -0.242 50 20 HBGD CN(CC(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 765483067 SVNJTEWGBYSEQV-ZDUSSCGKSA-N 416.887 -0.778 50 20 HBGD COc1ccc(Cn2ccc(NC(=O)C(=O)NNC(=O)[C@H]3COCCO3)n2)cc1 778710779 JJRURSFAOPVVFT-CQSZACIVSA-N 403.395 -0.559 50 20 HBGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)c(F)cc1F 784004209 KTEMJKKIVJHPHB-UHFFFAOYSA-N 424.316 -0.140 50 20 HBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F 806564611 DTMMMYFKKLKGEW-BDAKNGLRSA-N 408.399 -0.809 50 20 HBGD COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NNC(=O)N2CCN(C)CC2)C1=O 807382797 PVGSTPSBTCCDGJ-LJQANCHMSA-N 418.454 -0.550 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NN=C3COCCOC3)CC2)cc1 814877393 NSLNMXLQCOPJDJ-UHFFFAOYSA-N 410.496 -0.180 50 20 HBGD COc1ccccc1N1C[C@H](C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1=O 919890070 ZKEIQYUCXAKZJP-VXGBXAGGSA-N 410.452 -0.434 50 20 HBGD Cc1csc(CC(=O)NNC(=O)COC(=O)C[C@@H]2CCCS(=O)(=O)C2)n1 1324279310 XBFPGDGXAIAFLZ-NSHDSACASA-N 403.482 -0.100 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCC=CO3)C2)C1 1778984735 HFDYQKDFYRVQOX-OXQOHEQNSA-N 415.450 -0.179 50 20 HBGD Cc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)no1 1779030610 DHVNMNMEVJAKAR-IBGZPJMESA-N 414.422 -0.261 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccncc1O)CCO2 1783936225 SFCBKJPJDKKTHM-LJQANCHMSA-N 405.455 -0.396 50 20 HBGD O=C(CC[C@H]1CCOC1)N1CC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1784808194 HARILPQFPWYLHC-KKSFZXQISA-N 416.283 -0.373 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)CCN3CCCC3)C2)C1 1785675602 ROFLGWLHEGBJQP-FQEVSTJZSA-N 409.531 -0.325 50 20 HBGD CC[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(N)=O)C[C@@H]21 1790962738 RWCWDDUPTQNPFJ-BJDJZHNGSA-N 405.293 -0.192 50 20 HBGD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)cn1C 1796638382 PEHRBVTZBUJZRX-IZZQQSIFSA-N 411.267 -0.470 50 20 HBGD Nc1n[nH]c(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](F)Br)C3)n1 1797626236 ONEJWKFMRNTNHM-VVJJBPBLSA-N 419.255 -0.400 50 20 HBGD COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)cc1 1798941865 GTEYEZQBBAROBM-XEMDLRDOSA-N 424.262 -0.108 50 20 HBGD C[C@H](Br)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN(CCO)CCO)C2 1801967115 YWIBISUUNQTVGU-FQUUOJAGSA-N 406.321 -0.305 50 20 HBGD O=C1NC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)O1 1831573726 RDMLMUNQYZENIL-PKFCDNJMSA-N 424.223 -0.758 50 20 HBGD N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837457965 YVEXRPQMEWUAIE-LJQANCHMSA-N 416.438 -0.941 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1839150838 YVMFHSUGUAZYSL-UVBJJODRSA-N 424.281 -0.213 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncon3)C2)C1 1840034728 VVKAWYPDKQFSHN-IINYFYTJSA-N 403.233 -0.077 50 20 HBGD O=C1CCCCN1CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840103812 SYRQSRRCZAPARB-RDTXWAMCSA-N 417.890 -0.945 50 20 HBGD CS(=O)(=O)CCN1CCC(NC(=O)NNc2ccc(-n3cccn3)nn2)CC1 731761404 JYZGJAJSIBLQBQ-UHFFFAOYSA-N 408.488 -0.203 50 20 HBGD Cc1cc(Cl)c(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1[N+](=O)[O-] 753081847 VCTWARZMHSTETQ-ZETCQYMHSA-N 414.849 -0.196 50 20 HBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)ccc1Cl 757476708 KEFCKGJESHJESR-SSDOTTSWSA-N 413.861 -0.626 50 20 HBGD COCCN1C[C@H](C(=O)N2CCN(S(=O)(=O)CBr)CC2)CC1=O 758528805 XXQXLTNDTASNNN-LLVKDONJSA-N 412.306 -0.692 50 20 HBGD CN(C)CC(=O)NNC(=O)C(=O)N1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21 764203865 KOZLWCGYWSAMJN-MRXNPFEDSA-N 417.466 -0.498 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cccc(-n3cccc3)c2)n(C)c1=O 765729702 YSBYZVNPULBTGP-UHFFFAOYSA-N 421.417 -0.314 50 20 HBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCc2ncn(C)n2)c1 768991309 JIOHDSRKLSQPGR-UHFFFAOYSA-N 409.472 -0.010 50 20 HBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 772049424 VAYSOYZXUNXEAJ-SNVBAGLBSA-N 418.497 -0.145 50 20 HBGD C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NNC(=O)COCc1ccccc1 793539352 MZSSTBOLDAMPHI-IBGZPJMESA-N 418.450 -0.034 50 20 HBGD CCOC(=O)c1cc(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)ccc1C 795314518 MPWNKUXVUQKLEO-SNVBAGLBSA-N 407.470 -0.581 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@H](C)n2cnc(C#N)n2)cc1 798826946 NPFYQUTXVJRVRY-LBPRGKRZSA-N 405.440 -0.513 50 20 HBGD COc1cc(OC)c(NC(=O)NNC(=O)C[C@H](NC(C)=O)C(N)=O)cc1Cl 802075234 OAGKCCFNNSOKEJ-JTQLQIEISA-N 401.807 -0.110 50 20 HBGD C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)NNC(=O)CN1CCCC1=O 920435965 RJLRHLMXTQCSJB-HXUWFJFHSA-N 413.434 -0.245 50 20 HBGD C[C@H](C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)N1C[C@H]2C[C@H]2C1 1778863382 IYGFWYPICXKLKV-VWXURSGXSA-N 421.542 -0.471 50 20 HBGD CN(C)C(=O)NCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781326206 VIMZZSSXWUZVCD-FZMZJTMJSA-N 409.256 -0.222 50 20 HBGD NC(=O)[C@H](N)CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781331038 JSVIEGOVJAJNQZ-GLXFQSAKSA-N 409.256 -0.900 50 20 HBGD O=C(CN1C(=O)C=CC1=O)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781333857 GTNIDXKGMBQGKB-ZFWWWQNUSA-N 418.219 -0.568 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)c1ccco1)CCO2 1783933375 WKDUHUYKQWBMJL-HKUYNNGSSA-N 408.455 -0.484 50 20 HBGD CN1CCC[C@H](C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)C1 1783934442 HXCMKJJYDGWZEO-OXJNMPFZSA-N 409.531 -0.469 50 20 HBGD CC(=O)N(C)[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783935825 ZCGYMOMEBQURED-LIRRHRJNSA-N 411.503 -0.944 50 20 HBGD Cc1oncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1786119565 YJCAAZXGVDYMRJ-WBAXXEDZSA-N 413.239 -0.430 50 20 HBGD CO/C=C(\C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1788499293 YTAJXXSZNVFAMS-LTAJHLDZSA-N 402.256 -0.490 50 20 HBGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)n3cnnn3)C[C@@H]21 1791256352 NFOJBKILABGXGY-HTOAHKCRSA-N 400.867 -0.532 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cncc(O)c3)C[C@@H]21 1791293352 YCTQAHUIWNVFMV-JQFCIGGWSA-N 419.482 -0.247 50 20 HBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc[n+]([O-])c1 1794543102 OHXFXGOOEQGZKD-QDMKHBRRSA-N 410.434 -0.116 50 20 HBGD N[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2)c1ccccn1 1796057720 FENBAPKAADYASD-ZMMAXQRCSA-N 408.267 -0.287 50 20 HBGD CCNC(=O)N[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796188624 ADGIGSOYEYZHPW-VDNDLQMASA-N 416.287 -0.674 50 20 HBGD Cn1cccc1C(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796190523 HSFRUXXRMKQZAD-BJWYYQGGSA-N 409.251 -0.160 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)CNC(N)=O)[C@H]1c1cccnc1 1813075098 YGGVILRGFZAFIQ-KDOFPFPSSA-N 419.486 -0.871 50 20 HBGD CCc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)nn1C 1830731775 MOFPLAWMHLAILT-QAPCUYQASA-N 414.890 -0.348 50 20 HBGD Cn1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1=O 1831881466 RCJGNFHTOPWMDN-RDTXWAMCSA-N 413.858 -0.945 50 20 HBGD N=C1NCCN1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840188098 NRPLLEIMFMZHMB-OAHLLOKOSA-N 408.286 -0.914 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)C#CC2(O)CCCCC2)C1 1844282408 MFDZYBOZLLRXBK-UHFFFAOYSA-N 410.279 -0.118 50 20 HBGD Cc1nn(C)c(C)c1CC(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1846614098 QHPMEPKWMDQNSH-UHFFFAOYSA-N 410.283 -0.224 50 20 HBGD C[C@@H](CS(C)(=O)=O)NC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 733663114 UTROCQQDGLJJFB-HNNXBMFYSA-N 411.528 -0.038 50 20 HBGD CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)NNc1ccc(C(N)=O)nn1 758323823 IJRAJZGLUQVWJA-NSHDSACASA-N 407.431 -0.466 50 20 HBGD COc1cc(OC)cc(C(=O)NNC(=O)CN2CCN(S(C)(=O)=O)CC2)c1 759282477 FREBNMLVEDADMK-UHFFFAOYSA-N 400.457 -0.958 50 20 HBGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(N2CCCC2=O)c(OC)c1 764398445 RZZOIILALRVCQR-GFCCVEGCSA-N 422.438 -0.041 50 20 HBGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O 764426452 UUGNYGUVIMHWMY-AWEZNQCLSA-N 416.390 -0.806 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2ccc(OCC(=O)O)cc2)n(C)c1=O 764818119 RBYCRHLZVXHQNL-UHFFFAOYSA-N 414.378 -0.953 50 20 HBGD CCNS(=O)(=O)[C@H]1CCN(CC(=O)NNC(=O)c2ccc(OC)c(OC)c2)C1 771468059 YGADDHLDHIRADC-ZDUSSCGKSA-N 414.484 -0.522 50 20 HBGD O=C1CN(c2ccnc(C(=O)NNC(=O)C3CCN(c4ncccn4)CC3)c2)CCN1 786898086 SJHSCEUDBRHCRY-UHFFFAOYSA-N 424.465 -0.515 50 20 HBGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 794060247 DHUWEVCHZOOEMU-CYBMUJFWSA-N 400.395 -0.164 50 20 HBGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1ccc(S(=O)(=O)NC)c(C)c1 794591433 ZPCUFGHSKCWJKZ-UHFFFAOYSA-N 420.513 -0.483 50 20 HBGD CN(C)c1c(C=NNC(=O)C(=O)NCc2ccc(Cl)cc2)c(=O)n(C)c(=O)n1C 807980796 XSQVELWEQUJQEN-UHFFFAOYSA-N 420.857 -0.430 50 20 HBGD O=C(NNC(=O)[C@H]1CCCO1)C(=O)Nc1ccccc1OCC(=O)N1CCOCC1 815778200 GXVIVPIOVULDQX-OAHLLOKOSA-N 420.422 -0.811 50 20 HBGD COC(=O)c1cc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)n(-c2ccccc2)n1 1322452755 OQRICZMXLCEEQD-LLVKDONJSA-N 406.420 -0.145 50 20 HBGD CN(CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1)C(=O)C(=O)O 1781332989 GQUPJBVRJOKNOG-QMTHXVAHSA-N 424.223 -0.950 50 20 HBGD COC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786978649 HVKGIQHIOYSYTF-XIRDDKMYSA-N 404.272 -0.615 50 20 HBGD CC[C@@H](O)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815350609 ZTGVMWUGCWFXHP-TZMCWYRMSA-N 403.269 -0.180 50 20 HBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)COCCO)[nH]n1)c1ccc(B(O)O)cc1 1817472379 GICSKBFNPVBCHZ-MRXNPFEDSA-N 416.243 -0.596 50 20 HBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)COCCO)[nH]n1)c1cccc(B(O)O)c1 1817477399 XYGIJRKHVZFJRT-INIZCTEOSA-N 416.243 -0.596 50 20 HBGD CCOC(=O)C1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@@H](O)CCl)CCO3)C2)CC1 1830735106 CYPIUEJGERBQFP-SUMWQHHRSA-N 418.874 -0.614 50 20 HBGD O=C(CC[C@@H]1CCOC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830738119 LXZBORQWXQYCDJ-IIDMSEBBSA-N 404.891 -0.141 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncnn3C)CCO2)C1 1833846442 MWYVFFXZUIDNGR-BLLLJJGKSA-N 401.851 -0.861 50 20 HBGD CC[C@H](O)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1836665390 XMKRHHAPEMHWQK-IBGZPJMESA-N 418.299 -0.251 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cc(C)[nH]n3)CCO2)C1 1837591544 QCVYDNLRWHZOJZ-YJBOKZPZSA-N 414.890 -0.029 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(N)=O)CCO2)C1 1840921371 URTDEEOHLIJGGN-CABCVRRESA-N 411.286 -0.653 50 20 HBGD C[C@H](C(=O)N1CCCC12CN(C(=O)CCC(=O)NN(C)C)C2)[C@H]1SC(=N)NC1=O 1843409283 STEULKMNRZVCAZ-SMDDNHRTSA-N 424.527 -0.635 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)c1c[nH]c(=O)cn1)C2 1843416459 MVSNVGCNOQNHND-FSJBWODESA-N 411.422 -0.279 50 20 HBGD C[C@H](O)C(=O)N1CCCC12CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1846172435 KKOICSFIKXTYEE-HNNXBMFYSA-N 403.483 -0.083 50 20 HBGD Cn1cnc2c1c(=O)n(CC(=O)NNC(=S)NCCc1cccs1)c(=O)n2C 11419256 ONQKVGGWDOMFTE-UHFFFAOYSA-N 421.508 -0.767 50 20 HBGD CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NNC(=O)CNC(=O)c2ccco2)CC1=O 733144176 LVEXFQFUWKMMEM-UONOGXRCSA-N 405.455 -0.510 50 20 HBGD Cn1c(=O)nc(O)c2cc(C(=O)OCC(=O)NNC(=O)c3cccs3)cnc21 746914234 XOYNCICYFQHPII-UHFFFAOYSA-N 403.376 -0.286 50 20 HBGD COc1ccc(C(=O)NNC(=O)COC(=O)[C@H](C)CS(C)(=O)=O)cc1OC 747074067 DOGRHUBUEYNFEL-SNVBAGLBSA-N 402.425 -0.311 50 20 HBGD Cc1ccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)o1 752526580 FSKDXAWJWCYZCS-UHFFFAOYSA-N 406.420 -0.217 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 755976374 XSPOFYGCXHGSOJ-MRVPVSSYSA-N 404.470 -0.837 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(Cl)c2ncccc12 764228298 XEYRPJWCBFKQRO-QMMMGPOBSA-N 413.843 -0.088 50 20 HBGD CC(C)OC(=O)NCc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)cc1 764425735 RVCPHKHJONTPDA-AWEZNQCLSA-N 408.411 -0.178 50 20 HBGD CN1CCC[C@@H]1C(=O)N1CCN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1 767038444 SLFSZSGVIHYQQL-MRXNPFEDSA-N 418.454 -0.406 50 20 HBGD COc1cccc(S(C)(=O)=O)c1NNC(=O)C1CCN(S(N)(=O)=O)CC1 768640535 LQMVQXNUVXAAFJ-UHFFFAOYSA-N 406.486 -0.543 50 20 HBGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)cn1 770223328 VIQQPPRUEUQHND-UHFFFAOYSA-N 412.449 -0.532 50 20 HBGD CN1CCN(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 788168735 ALTFKHBTAPSDMW-UHFFFAOYSA-N 411.484 -0.691 50 20 HBGD COC(=O)[C@H](CS(=O)(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccccc1 795291565 XTJIPJWLBUEJHS-QWHCGFSZSA-N 404.466 -0.672 50 20 HBGD C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN(S(=O)(=O)CBr)CC1 800107317 PDLJYTIOMQJARA-JTQLQIEISA-N 403.324 -0.378 50 20 HBGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)CN1CCCS1(=O)=O 915874495 IRUJADNIUFPQOG-UHFFFAOYSA-N 409.512 -0.618 50 20 HBGD CN(C)N(C(=O)c1nccc2c(S(N)(=O)=O)cccc12)[C@H]1CCS(=O)(=O)C1 1261222808 YGIJWUJJOJGLDG-NSHDSACASA-N 412.493 -0.012 50 20 HBGD CCCCS(=O)(=O)N1CCC(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)CC1 1317939576 LKNAOPWRIJSDEJ-ZDUSSCGKSA-N 409.530 -0.590 50 20 HBGD CC(=O)N[C@@](C)(C(=O)NNC(=O)c1cnn(C)c1)c1ccc(S(C)(=O)=O)cc1 1322513839 JGXCHJZDDOERJP-QGZVFWFLSA-N 407.452 -0.364 50 20 HBGD Cc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)on1 1779031263 PPILOPAPDXFFTP-LJQANCHMSA-N 414.422 -0.261 50 20 HBGD Cn1cnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)c1 1786979451 KJWCHARJKIDHHD-ZVZYQTTQSA-N 412.255 -0.993 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(F)(F)C(F)F 1793705053 NDBAMOAIUPTMSR-PTEHBNRSSA-N 418.152 -0.530 50 20 HBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](O)CCl)[nH]n1)c1cccc(B(O)O)c1 1817473793 AFRDJBQXKZYZPO-GJZGRUSLSA-N 420.662 -0.005 50 20 HBGD Cc1nccn1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830735702 LYSMVNIYSKMHBF-WMLDXEAASA-N 400.863 -0.752 50 20 HBGD CNC(=O)CC(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837710102 IDNQWWFGBHFOBC-QGZVFWFLSA-N 401.536 -0.570 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H]3NC(=O)NC3=O)C2)C1 1839142566 SBEJBXKVZCUJDN-JKDFXYPNSA-N 416.862 -0.942 50 20 HBGD O=C([C@H](F)Br)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1 1839200326 FZHKXGQPTLBHPW-OXIQGZBJSA-N 409.252 -0.096 50 20 HBGD O=C(c1ncon1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839200889 RLYSKXLHBSVGEE-ZANVPECISA-N 407.196 -0.170 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)n1cncn1)CCO2 1840421492 UOEHBSWDCQEUQU-GRDNDAEWSA-N 415.878 -0.451 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2ncc(Cl)cn2)C1 1842324891 FXZINJOPDNPZLG-UHFFFAOYSA-N 400.631 -0.059 50 20 HBGD CC[C@@H](Br)C(=O)N1CC2(CCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)C1 1843235534 ALFVRDUSLCBJGX-SECBINFHSA-N 424.259 -0.197 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2cnn3cccnc23)C1 1844027801 QBOYRVAAJITJDF-UHFFFAOYSA-N 405.223 -0.460 50 20 HBGD C[C@H](CBr)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)N2CCOCC2)C1 1844293372 FSZXXGUOSZLKEA-TZMCWYRMSA-N 404.305 -0.129 50 20 HBGD COCCCNC(=S)N(C)NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 726078561 LEISHGJVURQKOI-UHFFFAOYSA-N 419.507 -0.068 50 20 HBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCCN1CCO[C@@H](C)C1 726262193 XQEAVXXMESAGLJ-LBPRGKRZSA-N 412.516 -0.047 50 20 HBGD N#Cc1ccccc1OCC(=O)NNC(=O)N[C@H]1CCN(CCN2CCOCC2)C1 734685337 CZYYNQZSNAWSIT-KRWDZBQOSA-N 416.482 -0.326 50 20 HBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)COC[C@@H]2CCCO2)CC1 735117138 BUKDQIRIHFNKMA-AWEZNQCLSA-N 413.500 -0.344 50 20 HBGD CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2ccoc2)s1 746184221 AFMUSVZHTWFXDD-UHFFFAOYSA-N 400.438 -0.283 50 20 HBGD COCCNS(=O)(=O)c1ccc(C)c(C(=O)NNc2ccc(C(N)=O)nn2)c1 757391256 DLNSINMGDKRVIQ-UHFFFAOYSA-N 408.440 -0.434 50 20 HBGD C[C@@H](CNC(=O)C(=O)NNC(=O)c1ccc(Br)s1)S(N)(=O)=O 763940468 HPEUBLNJTRYCEU-YFKPBYRVSA-N 413.275 -0.935 50 20 HBGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1OC(C)C 764226625 JOGDPYJSQMXEQR-SNVBAGLBSA-N 416.456 -0.494 50 20 HBGD COC(=O)N[C@H](C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1)C(C)C 765732728 JZTQCVVPMQLDQM-KRWDZBQOSA-N 419.482 -0.028 50 20 HBGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)c1cc(S(N)(=O)=O)cn1C 767265061 LBJNSSXBIVRGOI-UHFFFAOYSA-N 408.436 -0.472 50 20 HBGD O=C(Cn1cc(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cn1)NC1CCCC1 772629156 ASAVNJSJSPKPLF-UHFFFAOYSA-N 423.437 -0.008 50 20 HBGD CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)O1 774658154 GFIRMUYVCAJMBJ-ZIAGYGMSSA-N 402.415 -0.758 50 20 HBGD Cc1cc(C(=O)NC(C)C)ccc1NC(=O)C(=O)NNC(=O)C(=O)N1CCCC1 783999315 FLABRRUUNXMFIH-UHFFFAOYSA-N 403.439 -0.158 50 20 HBGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 795161574 PVXRCHRHGZQZGU-MPTQWLOMSA-N 422.463 -0.458 50 20 HBGD CN1CCN(C(=O)NNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 807383175 NKBABCSMOSQVPR-OAHLLOKOSA-N 413.438 -0.249 50 20 HBGD O=C(NN=C1CCS(=O)(=O)C1)c1cccc(S(=O)(=O)N2CCOCC2)c1 912776703 UGUWXKGBCLLADY-UHFFFAOYSA-N 401.466 -0.388 50 20 HBGD CC(C)[C@@H](C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)N1C(=O)c2ccccc2C1=O 920433439 UHLIJZWKURDRDK-RISCZKNCSA-N 407.448 -0.111 50 20 HBGD CNS(=O)(=O)c1ccc(CC(=O)NNC(=O)CNC(=O)c2cccs2)cc1 1320166773 WKQMGCAIVOMPMA-UHFFFAOYSA-N 410.477 -0.224 50 20 HBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](F)Cl)CCO2)C1 1779067255 BAIYLQJTASWGEF-WOSRLPQWSA-N 408.810 -0.155 50 20 HBGD CN(CC(=O)N1CCO[C@]2(CCN(C(=O)CO[Si](C)(C)C)C2)C1)C(=O)C(=O)O 1779298317 DVFJALJGAIUERK-KRWDZBQOSA-N 415.519 -0.789 50 20 HBGD Cc1nccn1[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783937718 NLKOVFSFJIVNOF-YWZLYKJASA-N 420.514 -0.045 50 20 HBGD C[C@@H](Nc1cnccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784092149 IAAXFXNYPNQSCZ-QTVXIADOSA-N 411.890 -0.144 50 20 HBGD CC[C@H](NC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788610621 MQKRRDBXJGXXQZ-STECZYCISA-N 418.498 -0.724 50 20 HBGD CC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)N3CCOCC3)[C@H]2C1 1788655562 GZWYFGGNHRLKOS-PYOGLGTISA-N 403.907 -0.366 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ncccn3)C[C@@H]21 1791288558 FBUVRMHXKAWCKP-JYJNAYRXSA-N 418.498 -0.628 50 20 HBGD O=C(CC1CCOCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1795455228 PPMINWGVMFCTAH-XEMDLRDOSA-N 416.283 -0.614 50 20 HBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccns1)C2 1797749771 RAIVTRDWIUCWCF-QHBPRCKVSA-N 416.463 -0.341 50 20 HBGD CN1CCN(CC(=O)NC[C@@H]2CCN(C(=O)[C@H](O)CCl)[C@@H]2c2cccnc2)CC1 1809599294 MZXFABMOWCGYBB-YQVWRLOYSA-N 423.945 -0.066 50 20 HBGD Cc1nnc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)s1 1830722606 GBSICMCVNDWKJM-LRDDRELGSA-N 418.903 -0.555 50 20 HBGD Cc1cc[nH]c1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1833548582 LGRJSNXDODHBFJ-HXUWFJFHSA-N 421.498 -0.234 50 20 HBGD O=C(NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1)c1cc(CO)on1 1836186397 MGKYFIJPZWFMMJ-MRXNPFEDSA-N 414.890 -0.048 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1ccnn1)CCO2 1839711393 SWJMIGYENCIZLO-JKIFEVAISA-N 415.878 -0.451 50 20 HBGD CCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839852786 KODWJMOFWJHHKJ-OAQYLSRUSA-N 418.299 -0.127 50 20 HBGD COC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1840321864 QJMBOIWPERTEQC-IAQYHMDHSA-N 422.276 -0.418 50 20 HBGD O=C(CCC(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2)N1CCCC1 1841874237 ZSIKCCPWAWSJDW-UHFFFAOYSA-N 413.283 -0.414 50 20 HBGD COC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@H](COC(C)=O)OC(C)=O)C2 1846362935 FZXWEHVDHIXBBP-KBPBESRZSA-N 404.847 -0.062 50 20 HBGD O=C(CN1CCN(C(=O)CN2CCOCC2)CC1)NNC(=O)c1ccccc1Cl 10095524 QPBHXMFKQGQFNB-UHFFFAOYSA-N 423.901 -0.423 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccccc1Br 728509657 KNEWOEOCFLFHCC-SSDOTTSWSA-N 400.276 -0.304 50 20 HBGD O=C(CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)NNC(=O)C1CC1 733193186 IFNFTACKGHIJGY-UHFFFAOYSA-N 411.440 -0.542 50 20 HBGD COc1ccc(NC(=S)NNC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cn1 743823710 WGBDAOHTPFVGCG-FKGLVLAHSA-N 419.463 -0.040 50 20 HBGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@@H](NC(=O)C(C)(C)C)[C@H](C)O)n1 745702824 LGSXZHIUQOCGBA-HZMBPMFUSA-N 414.484 -0.404 50 20 HBGD Cc1c(C(=O)NNC(=O)COc2ccccc2F)cnc2c1c(=O)n(C)c(=O)n2C 747719163 IPPLPRJKSAQGKB-UHFFFAOYSA-N 415.381 -0.080 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1-n1cnnn1 763577101 GVKCWDCPDDNYPD-INIZCTEOSA-N 423.389 -0.103 50 20 HBGD C[C@@H](CNC(=O)C(=O)NNC(=O)CSc1ccc(Cl)cc1)S(N)(=O)=O 763733727 GIMIQZGBHWIAOE-QMMMGPOBSA-N 408.889 -0.627 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)N1CCc2c1cccc2C(F)(F)F 764228291 XCBWTXCCUKKZLI-MRVPVSSYSA-N 422.385 -0.320 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccnc1Oc1ccccc1 764228548 YCVQLIKVGCIJTE-LLVKDONJSA-N 421.435 -0.103 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1nc(-c2cccs2)cs1 764230668 JBTAVSBBHYWTOS-ZETCQYMHSA-N 417.494 -0.105 50 20 HBGD Cc1nc(Br)ccc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 764231743 PTBBVKWETKRBAL-ZETCQYMHSA-N 422.261 -0.824 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(C2CCCCC2)nn1C 764232351 SPJNDWLSSDNIKQ-JTQLQIEISA-N 414.488 -0.509 50 20 HBGD O=C(NNc1cnccn1)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 766256959 OFXDDXXNPIIAEH-HNNXBMFYSA-N 412.406 -0.427 50 20 HBGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)[C@H](C)N3C(=O)CCC3=O)CC2)cc1 766646580 UBHODZSOSAVOIB-INIZCTEOSA-N 415.494 -0.202 50 20 HBGD O=C(NNC(=O)c1ccc2c(c1)OCCO2)C1=CC=CN2CCS(=O)(=O)N=C12 791012001 GQNZKGRHUOAAEJ-UHFFFAOYSA-N 404.404 -0.284 50 20 HBGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)NCC(=O)N2CCOCC2)CC1 1254206405 MTXAORZXPQUDNE-UHFFFAOYSA-N 413.475 -0.177 50 20 HBGD COCCN(CC(=O)NNC(=O)Cc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1324503723 YACLDVJDZKCWSE-LBPRGKRZSA-N 404.514 -0.723 50 20 HBGD CCOCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1782673666 HIEGFBHFMBCFCR-WIYYLYMNSA-N 418.299 -0.080 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCC(=O)NC3)[C@H]2C1 1783632629 DWHCYTLPUCDQCF-FQKPHLNHSA-N 401.891 -0.254 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3nc4ncccn4n3)CCO2)C1 1783874557 IPFPZQMNSWCQOC-YVEFUNNKSA-N 408.846 -0.178 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccncc3)[C@H]2C1 1785950460 DUQNLSYHJAKHIV-WBAXXEDZSA-N 424.461 -0.013 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cncc(O)c3)[C@H]2C1 1791112883 IAWPVUFSUXHSDG-JQFCIGGWSA-N 419.482 -0.247 50 20 HBGD CNC(=S)NCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](Cl)COC)[C@H]2C1 1791255065 CPLYPPMROPTUMT-XUXIUFHCSA-N 420.963 -0.296 50 20 HBGD CC[C@@H](C)[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1793395893 SQIPJDPTPPBWQA-XRQSXFTLSA-N 419.482 -0.705 50 20 HBGD Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)no1 1795736646 BKDWOGUXOHBNMD-CCWDJLKJSA-N 413.239 -0.891 50 20 HBGD C[C@@H]1C[C@]1(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797752889 LQXDYWIMTMYELE-PYCKEEFSSA-N 401.467 -0.066 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@]1(F)Cl)C2 1801012141 HTJDCZJMLPYVGK-OAVKVSGMSA-N 404.870 -0.127 50 20 HBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)Cn2cnnn2)[nH]n1)c1cccc(B(O)O)c1 1817474193 ANPKCOWHOBQOFX-HNNXBMFYSA-N 424.230 -0.918 50 20 HBGD COCc1oncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830727930 KVCLGEFPZUUMIN-CXAGYDPISA-N 417.846 -0.509 50 20 HBGD NC(=O)NCC(=O)N1CCC(N2CCC(NC(=O)[C@H](F)Br)CC2)CC1 1836414611 TVSMHAFGSZTSCU-ZDUSSCGKSA-N 422.299 -0.083 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840043791 USUOSJSWOGTBHW-JKSUJKDBSA-N 407.250 -0.233 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)COC(=O)C(F)(F)F)C2 1846385117 UPCMCCPCNQTJPW-UHFFFAOYSA-N 408.377 -0.332 50 20 HBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)N2CCOCC2)c(C(=O)OC)s1 726520944 TYUFVHAOZMLRDZ-UHFFFAOYSA-N 407.426 -0.444 50 20 HBGD CC(C)(C(=O)NNC(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1 731222794 IFYAHXHCLHAZFM-AWEZNQCLSA-N 410.496 -0.012 50 20 HBGD O=C(CN1CCN(S(=O)(=O)c2cccc3nsnc23)CC1)NNC(=O)C1CC1 733193064 ACMLDVHWDWVVKB-UHFFFAOYSA-N 424.508 -0.445 50 20 HBGD CCC(CC)NC(=O)C(=O)NNC(=O)Cn1cc(Br)c(O)nc1=O 740850913 FMFDZBACSWQYHQ-UHFFFAOYSA-N 404.221 -0.836 50 20 HBGD Cc1nccn1CCNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 749214922 LBUIEMSCPDCZJE-UHFFFAOYSA-N 422.515 -0.151 50 20 HBGD CS(=O)(=O)N1CC[C@@H](CNC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)C1 753093368 MGIYSJWSMRFNSW-LBPRGKRZSA-N 422.467 -0.197 50 20 HBGD COCCNC(=O)Cn1cc(NC(=O)NNC(=O)COc2ccccc2C#N)cn1 756839709 SBZWDYKJLCMEAF-UHFFFAOYSA-N 415.410 -0.251 50 20 HBGD COCCOc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c(C)c1 764230678 JDHSVLYOYJVQIS-NSHDSACASA-N 416.456 -0.956 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc3ncccc3c2)n(C)c1=O 766644800 QDATUEXRYWJQBD-UHFFFAOYSA-N 407.390 -0.557 50 20 HBGD Cc1ccc(S(=O)(=O)NCCNC(=O)NNc2nc(O)c3cnn(C)c3n2)cc1 770340654 JJYMEYFCXZGAPR-UHFFFAOYSA-N 420.455 -0.018 50 20 HBGD CN1CCN(C(=O)NNC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)CC1 788166268 KTFZZJIDYDAQHF-UHFFFAOYSA-N 410.500 -0.530 50 20 HBGD C=CCNC(=S)NNC(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1 798306532 LBNPXAVRVPTLAI-UHFFFAOYSA-N 405.527 -0.656 50 20 HBGD COC(=O)N(C)NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1OC 1323786745 OLWDDRIRZWYMCA-LBPRGKRZSA-N 401.441 -0.042 50 20 HBGD CC(C)OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1783660955 DOSJSXOFTFNLON-JQFCIGGWSA-N 419.482 -0.297 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3nccnc3C(N)=O)CCO2)C1 1783880317 AUNVZTDDMBZAIE-GTNSWQLSSA-N 411.846 -0.727 50 20 HBGD CN1CCC(CC(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)CC1 1783932944 LZUOOUMQHCBEHI-OAQYLSRUSA-N 423.558 -0.079 50 20 HBGD Cc1n[nH]c(C)c1CC(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783935508 VOYZJZDWOLNEEI-FQEVSTJZSA-N 420.514 -0.228 50 20 HBGD Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)cn1 1794168860 OTFYALGDHFOZCP-RMFSNUHRSA-N 423.278 -0.484 50 20 HBGD O=C1CN(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@H](O)CCl)n[nH]2)C(=O)N1 1814867565 NJQDPNBVGPOQHM-WDEREUQCSA-N 412.834 -0.447 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)COCCO)C2)C1 1837715138 YSEXKIFHTAGFGW-QGZVFWFLSA-N 404.536 -0.697 50 20 HBGD CC(C)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CNC(=O)C3)CCO2)C1 1839867678 ZQABHPMBBPQAGA-SCLBCKFNSA-N 401.891 -0.156 50 20 HBGD C[C@@H](CBr)C(=O)N1CC2(CCCN2C(=O)CN(CCO)CCO)C1 1846032581 OICROKHNWIWSCB-ZDUSSCGKSA-N 406.321 -0.493 50 20 HBGD Cn1cc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cn1 28581016 NXRPBWPCKLQPKJ-UHFFFAOYSA-N 421.479 -0.165 50 20 HBGD COc1cc(C(=O)NNC(=O)NCCN2CCCS2(=O)=O)cc(OC)c1OC 145585593 HYQOQUWJUPEERF-UHFFFAOYSA-N 416.456 -0.308 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 728509799 OAYDFWIWZHBMEC-ZETCQYMHSA-N 405.376 -0.168 50 20 HBGD CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NNC(=O)[C@H]1COCCO1 744643463 VNTMACSVUQVLMP-MWLCHTKSSA-N 416.412 -0.398 50 20 HBGD CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 751361012 IPKFNKAYZYJEIG-UWVGGRQHSA-N 408.502 -0.186 50 20 HBGD COc1ccc(C(=O)NNC(=O)CN2CCCC2=O)cc1S(=O)(=O)NC1CC1 751618538 SDPQJDHULJWPHG-UHFFFAOYSA-N 410.452 -0.481 50 20 HBGD CCCNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)c2cc(C)[nH]n2)c2ccccc2O1 764106763 RGUPWHSIPGYZEH-HNNXBMFYSA-N 414.422 -0.200 50 20 HBGD COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)NNC(=O)C1CCC1 764344020 YMHUMGQPPKXDGH-UHFFFAOYSA-N 417.466 -0.031 50 20 HBGD Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)C(=O)NNC(=O)CO 764421877 OLKRZVPPRZLCNI-HNNXBMFYSA-N 400.439 -0.283 50 20 HBGD COc1nccnc1NNC(=O)Cn1cnc2c(c(Br)nn2C)c1=O 764470537 UIEFGSSVWZFUDJ-UHFFFAOYSA-N 409.204 -0.166 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2cc(F)cc(F)c2)n(C)c1=O 765312516 HOMKPSYZPWHPOC-UHFFFAOYSA-N 407.337 -0.435 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc3cc(F)ccc3[nH]2)n(C)c1=O 766639190 OUFKMYYLYFJGIK-UHFFFAOYSA-N 413.369 -0.485 50 20 HBGD Cc1cnc(N)c(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 773227609 ZPPSLQLMHLKTHH-UHFFFAOYSA-N 413.481 -0.154 50 20 HBGD Cc1ccc(OCC(=O)NNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1 914830269 JZVMAJMZVNWAKT-KBPBESRZSA-N 409.464 -0.443 50 20 HBGD C#CCNC(=O)NNC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 915908210 LASIUEQZIBGNEF-CQSZACIVSA-N 424.479 -0.084 50 20 HBGD O=C(COc1ccc(Br)cc1)NNC(=O)CN1CCS(=O)(=O)CC1 916093886 BUOMKYCPSDNBTI-UHFFFAOYSA-N 420.285 -0.294 50 20 HBGD NS(=O)(=O)c1ccc(N2CCN(CC(=O)NNC(=O)c3ccccc3)CC2)cc1 917109839 PXLSDFUJDXYTPY-UHFFFAOYSA-N 417.491 -0.083 50 20 HBGD CC[C@H](C)[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779029610 VIWXUSSHNBUJQU-ZSOFBXJNSA-N 419.482 -0.464 50 20 HBGD CC(C)(C)OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786983706 UXDIMLOXLZMMOL-SZMVWBNQSA-N 418.299 -0.225 50 20 HBGD CC[C@H](NC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](Cl)COC)C[C@@H]21 1787409492 AXCZZNGTOCLSJV-HPCHECBXSA-N 404.895 -0.333 50 20 HBGD COC[C@@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(Cl)Cl)C[C@@H]21 1788776992 QSMRSWNPZKNBBD-RVMXOQNASA-N 410.298 -0.079 50 20 HBGD CC(C)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)N1CCOCC1 1797800720 JIYZHNSHGCZKQF-FQLMCAECSA-N 403.907 -0.508 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CCCC1=O)C2 1798439151 IQGHIEGHLBZSDV-BTTYYORXSA-N 414.466 -0.441 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@H]3C=CS[C@H]31)C2 1801013068 TVRHMJCVPWKYQN-PKSYTIITSA-N 408.524 -0.176 50 20 HBGD CN(CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](O)CCl)CC2)C(=O)C(=O)O 1824667164 LWTYYXSTIVDERB-APPZFPTMSA-N 418.859 -0.802 50 20 HBGD N=C(N)NCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1826826848 QJJWFJKSCNKTAG-QGZVFWFLSA-N 415.303 -0.917 50 20 HBGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)C1CC(O)C1)CCO2 1830581005 YBLFCACXUFMNLC-ZUEPYMLJSA-N 405.289 -0.001 50 20 HBGD O=C(NC1CCN(C2CCN(C(=O)CCn3cncn3)CC2)CC1)[C@@H](O)CCl 1833313178 YPQRJSMEERKRJP-INIZCTEOSA-N 412.922 -0.161 50 20 HBGD CCCNC(=O)CCC(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1841537725 LMFGGASYZUEIRC-UHFFFAOYSA-N 401.272 -0.510 50 20 HBGD O=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC2)NNC(=O)C(=O)NC1CC1 10215772 XIUKVOHIBIEQCE-UHFFFAOYSA-N 408.480 -0.340 50 20 HBGD COCCCNC(=S)N(C)NC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 726078830 RASBGSSIQNFFQU-UHFFFAOYSA-N 413.525 -0.059 50 20 HBGD Cc1nnc(NNC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)nc1O 728208012 IOEHLYBJVYVQHS-NSHDSACASA-N 410.460 -0.230 50 20 HBGD Cn1c(=O)nc(O)c2nc(CCC(=O)NNC(=O)COCc3ccccc3)[nH]c21 737926696 NFVUKLVLGVOIBI-UHFFFAOYSA-N 400.395 -0.341 50 20 HBGD NC(=O)CS(=O)(=O)c1ccc(C(=O)NNC(=O)Cn2cnc3ccccc32)cc1 742472140 LYEHEUJATCQVPT-UHFFFAOYSA-N 415.431 -0.244 50 20 HBGD COc1ccc([C@]2(C)NC(=O)N(CC(=O)NNC(=O)C(=O)NC(C)C)C2=O)cc1 744446833 OXIOHBHCLHZRLR-SFHVURJKSA-N 405.411 -0.866 50 20 HBGD CNS(=O)(=O)c1cc(C(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)co1 756402056 BYFWCGAQFZOHIL-UHFFFAOYSA-N 406.376 -0.323 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cnn(CC(=O)NC2CCCCC2)c1 758029031 IKBFPVPJJGMIBL-NSHDSACASA-N 414.488 -0.969 50 20 HBGD CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NNC(=O)CNC(=O)c1cccnc1 764342664 PLXOPHSSYMKZKL-AWEZNQCLSA-N 411.484 -0.447 50 20 HBGD C[C@@H](CC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1F 765729478 XEDXBFZDXYXUFE-NSHDSACASA-N 416.413 -0.086 50 20 HBGD Cn1ncc2c(O)nc(NNC(=O)C3=NN(c4ccc(F)cc4)[C@@H](C(N)=O)C3)nc21 770974676 OTRRXAVFRZOPRR-GFCCVEGCSA-N 413.373 -0.229 50 20 HBGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1cc(N2CCCC2=O)ccc1F 783999467 OQQJMCVTWXIPAM-UHFFFAOYSA-N 405.386 -0.339 50 20 HBGD CS(=O)(=O)C1(CNC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CCCC1 804867940 PDGTVJTZRLQLLX-UHFFFAOYSA-N 407.456 -0.036 50 20 HBGD O=C(CCc1ncc[nH]1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 806306302 LLUIOMSWPPITIQ-UHFFFAOYSA-N 407.452 -0.176 50 20 HBGD COc1ccc(CNC(=O)NNC(=O)COc2ccccc2O)cc1S(N)(=O)=O 812429473 MRJDJXMXGFUIQV-UHFFFAOYSA-N 424.435 -0.042 50 20 HBGD Cc1cc(C)n(CC(=O)NNC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)n1 913081809 HRLRPVNMXLGRDT-HNNXBMFYSA-N 401.402 -0.093 50 20 HBGD CNS(=O)(=O)c1ccc(CC(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)cc1 1320166478 KRGWSIIDSJTHKH-OKILXGFUSA-N 412.512 -0.216 50 20 HBGD O=C1NCc2cc(C(=O)N3CC[C@]4(C3)CN(C(=O)[C@H](O)CCl)CCO4)ccc21 1778722302 SZKARPQJTJEQEU-BEFAXECRSA-N 407.854 -0.027 50 20 HBGD CC(C)O[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779032063 LFUFKYCGAXNGLN-VBKZILBWSA-N 419.482 -0.058 50 20 HBGD CC(C)N(C)CC(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779034133 NTXNHILZTPOAJJ-HXUWFJFHSA-N 418.498 -0.531 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCCN1C)C2 1782209021 GXBHYTAALHURLM-CSODHUTKSA-N 423.558 -0.033 50 20 HBGD CCOC(=O)N[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)Br)C2)C1 1783534617 XEAFAQONYUGAOW-HFAKWTLXSA-N 422.276 -0.336 50 20 HBGD CCc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)n[nH]1 1783933986 QKGONYJORJUTTK-LJQANCHMSA-N 406.487 -0.211 50 20 HBGD C[C@@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1784118181 XMYBTKDCEVMAQL-BDJLRTHQSA-N 414.256 -0.475 50 20 HBGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]2C1 1786803425 QLCNXVYSLPLMLO-MOLYVOAJSA-N 419.320 -0.658 50 20 HBGD Cc1[nH]nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)c1F 1794477898 NRCKEEYZNBZIDA-DRXBFXEBSA-N 410.450 -0.567 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)c1ccccc1)C2)c1cccc(B(O)O)c1 1795737452 HVSACLUYZCSEOT-HNJRGHQBSA-N 424.262 -0.697 50 20 HBGD Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c(O)c1 1795740646 GAJJODIFZLOALS-CWPLJXCYSA-N 424.262 -0.103 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[C@@H]1[C@@H]2C=CS[C@@H]12 1800250249 QXCJCUXOFXQBFB-ZACOSQSXSA-N 414.292 -0.555 50 20 HBGD C[C@H](CN)C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807365160 RVMBQCISCCYBEP-DKSSEZFCSA-N 410.283 -0.324 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCCC2(CCN(C(=O)c3cc(O)n[nH]3)CC2)C1 1809966577 GROGFIQOHHBCBD-UHFFFAOYSA-N 412.255 -0.046 50 20 HBGD C[C@@H](CC(N)=O)C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809978203 WZILKXFQSFTMEU-HNNXBMFYSA-N 415.299 -0.277 50 20 HBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)COCCO)[nH]n1)c1cccc(B(O)O)c1 1817477400 XYGIJRKHVZFJRT-MRXNPFEDSA-N 416.243 -0.596 50 20 HBGD O=C(COCCO)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1820923005 HHNNMEUVEDBAGI-MRXNPFEDSA-N 416.243 -0.596 50 20 HBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1CNC(=O)O1)CC2 1826083858 UEEVILBJZROQTI-KOLCDFICSA-N 424.483 -0.464 50 20 HBGD Cc1nnsc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830727839 HSAGRMPVZNXZQU-IAQYHMDHSA-N 404.876 -0.484 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(CN(C(=O)/C=C/C3CC3)CCO2)C1 1830793557 DKSVHCSNFOEGAS-ZEZYUPADSA-N 408.499 -0.218 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3nc(C)no3)CCO2)C1 1836075016 OGPKVDJEMVSQLZ-SUMWQHHRSA-N 416.862 -0.369 50 20 HBGD O=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)=NN1 1837363912 QPRMJYQUGXKHQB-BXUZGUMPSA-N 421.223 -0.991 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc[n+]([O-])cc3)CCO2)C1 1838340632 SNAQNWZTXNPGFP-MAUKXSAKSA-N 413.858 -0.356 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 1839152394 YBWWTCLFOXWLHJ-CSMYWGQOSA-N 422.309 -0.042 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CC(O)C3)C2)C1 1840030216 DUAOHIOORMLYJF-PIISCBOPSA-N 405.289 -0.003 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)C[C@H](N)c2cccnc2)C1 1842976323 JCMDHKXFHWFDTJ-KRWDZBQOSA-N 423.477 -0.013 50 20 HBGD O=C(c1cnn2ccncc12)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014090 WKAIHDLRPLNKIU-UHFFFAOYSA-N 405.223 -0.460 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)CNC(=O)C(F)(F)F)C1 1846400517 PJYBLXOJHYIQNH-UHFFFAOYSA-N 407.393 -0.759 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)CSc2nc[nH]n2)C1 1846567931 HIEPFQSTRQLVMJ-UHFFFAOYSA-N 401.257 -0.906 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 725870876 CQVPEUIRJHEMJZ-ZDUSSCGKSA-N 403.351 -0.789 50 20 HBGD CCn1nc(C(=O)NNC(=O)Cn2[nH]cc3c(=O)ncnc2-3)c2ccccc2c1=O 730516695 MNRQAQKKLUFBLU-UHFFFAOYSA-N 408.378 -0.738 50 20 HBGD COC(=O)c1cc(OC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)ccc1[N+](=O)[O-] 732653510 XQTQJYUOTOKBNT-UHFFFAOYSA-N 417.334 -0.266 50 20 HBGD COc1ccc(-c2cc(C(=O)NNC(=O)CS(=O)(=O)N(C)C)n[nH]2)cc1OC 752693875 OSXJDWNFMWVMAP-UHFFFAOYSA-N 411.440 -0.254 50 20 HBGD Cn1c(CC(=O)NNC(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)nc2ccccc21 753658494 BPIQPXXHCLIOTK-LBPRGKRZSA-N 408.484 -0.272 50 20 HBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1 764213107 UEINEUFKEYDJEG-UHFFFAOYSA-N 407.496 -0.548 50 20 HBGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)ccc1Cl 764229903 DSFJTNFMBXBLAL-SSDOTTSWSA-N 420.831 -0.850 50 20 HBGD COCCOc1ncccc1NC(=O)C(=O)NNC(=O)COc1ccccc1O 764278585 ZZFLLMWODCKYFS-UHFFFAOYSA-N 404.379 -0.023 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc(-c3cnco3)cc2)n(C)c1=O 766639520 QIAWCRIDEUWPEH-UHFFFAOYSA-N 423.389 -0.450 50 20 HBGD Cc1nc(Cn2cc(C(=O)NNC(=O)c3nn(-c4ccccc4)cc3O)nn2)no1 787863524 BAQJKPMCNWCVPJ-UHFFFAOYSA-N 409.366 -0.016 50 20 HBGD C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)cc1 815778688 BXUZZDKGPWECSM-CQSZACIVSA-N 410.452 -0.242 50 20 HBGD COCC(=O)NC1CCN(CC(=O)NNC(=O)c2ccc(OC)c(OC)c2)CC1 917119744 DURSIFNIZCEYSM-UHFFFAOYSA-N 408.455 -0.308 50 20 HBGD CC(=O)N1CCN(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](F)Cl)CCO3)CC1 1778355651 PEBVMKCBABZNPE-DOTOQJQBSA-N 404.870 -0.485 50 20 HBGD O=C(CCBr)N1CCO[C@]2(CCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1779090733 SASNGPYZAMCGKW-GDBMZVCRSA-N 420.304 -0.748 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3ncccc3F)C2)C1 1779811528 VQRHOOJKHTXUQD-HXUWFJFHSA-N 413.214 -0.342 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)N1CCN(C)CC1)CCO2 1783879876 BIDPPKUAAXRTAB-MDZRGWNJSA-N 416.950 -0.294 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCS3(=O)=O)C[C@@H]21)[C@@H](O)CCl 1784093817 GMDNSRZVKQQNSK-PEDHHIEDSA-N 408.904 -0.857 50 20 HBGD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1)n1cccc1 1795741040 WQFMAOCPKAKRQY-RMRDIRSESA-N 411.267 -0.368 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)N1CCOCC1)[C@@H](F)Br 1798486912 KJHVLFBTMJGGDH-OJROKELRSA-N 408.268 -0.034 50 20 HBGD CN1C(=O)CC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Br 1799348715 NRYONJWJKOCUMW-WKLONVCASA-N 406.252 -0.113 50 20 HBGD O=C(c1cc(=O)n2[nH]cnc2n1)N1CCC2(CCCN(C(=O)[C@@H](O)CCl)C2)CC1 1805518962 JOMPHZZUFUPZRT-ZDUSSCGKSA-N 422.873 -0.138 50 20 HBGD O=C(NC[C@@H]1CCN(C(=O)c2nc[nH]n2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362827 KDCHCRGUORETSA-DOTOQJQBSA-N 420.238 -0.487 50 20 HBGD CC(=O)NCC(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815348449 OXXNBQJRSZFLIW-CYBMUJFWSA-N 416.268 -0.815 50 20 HBGD CCOC(=O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1 1830738038 KQACTNBQOSYMBI-UGSOOPFHSA-N 420.890 -0.368 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1836137982 SSSAMSFXBYAALK-HOTGVXAUSA-N 420.297 -0.029 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccnc3C)CCO2)C1 1839716987 MLALTJNQTYJXFS-MAUKXSAKSA-N 414.890 -0.098 50 20 HBGD O=C([C@@H](F)Br)N1CC2(CCCN2C(=O)CNCP(=O)(O)O)C1 1842874804 SEPHMDVQNSVKIG-SECBINFHSA-N 402.157 -0.395 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1cn3cccnc3n1)C2 1844264315 FRLWINLGCPPJDH-UHFFFAOYSA-N 420.433 -0.141 50 20 HBGD COCCCN(CC(=O)NNC(=O)Cc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 731845221 VTKIWFLRGFZHLL-ZDUSSCGKSA-N 418.541 -0.333 50 20 HBGD C[C@@H](C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 746090692 LSIZTDJYOGEXHD-YPCYXAEESA-N 402.363 -0.093 50 20 HBGD CS(=O)(=O)N1CCN(CCNC(=O)NNC(=O)c2cc3ccccc3o2)CC1 749560337 WKJPAXYDWQMZTE-UHFFFAOYSA-N 409.468 -0.046 50 20 HBGD CN(C)C(=O)Cn1cnc(NC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)n1 756771387 WPFQFKSNDVABNK-UHFFFAOYSA-N 413.398 -0.920 50 20 HBGD O=C(NNc1ccccc1S(=O)(=O)N1CCOCC1)c1ccc2nnnn2c1 758258320 ZVDNRRBCANATIG-UHFFFAOYSA-N 403.424 -0.098 50 20 HBGD COc1ccc(C(=O)NNC(=O)COC(=O)Cn2cc([C@H](C)O)nn2)cc1OC 762959381 IDMGSNMZUVGZJR-JTQLQIEISA-N 407.383 -0.647 50 20 HBGD C[C@H](CNC(=O)C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2)S(N)(=O)=O 763734269 JXISMOHIOFCLEW-LKBWSCCASA-N 400.501 -0.467 50 20 HBGD CCn1nnnc1-c1cccc(NC(=O)C(=O)NNC(=O)Cn2nc(C)cc2C)c1 763893468 VPRSKWBDSFWBBN-UHFFFAOYSA-N 411.426 -0.041 50 20 HBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ncn(Cc2cccc(Br)c2)n1 764210299 AJNSXVVUICLQNK-UHFFFAOYSA-N 424.259 -0.264 50 20 HBGD COCCN(CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 779896159 JOIXXZZJPLGRLH-CQSZACIVSA-N 414.440 -0.509 50 20 HBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 780628657 OQVLOVQBCIIZMG-RISCZKNCSA-N 411.415 -0.558 50 20 HBGD O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)NNc1ccc(-n2ccnc2)nn1 804957290 SEPDGSXUUKGRIB-UHFFFAOYSA-N 413.423 -0.040 50 20 HBGD NS(=O)(=O)c1ccc2c(c1)C(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)CCC2 811640184 OIRCKOSWYOLMAR-LLVKDONJSA-N 400.482 -0.139 50 20 HBGD CCOCCS(=O)(=O)NCC(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1 812730310 CIKRMDAPFDGSIC-UHFFFAOYSA-N 408.502 -0.664 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1780419612 QSHZKCUCEQJKRT-SFHVURJKSA-N 422.442 -0.261 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781333655 IMBUBNFACZBVBB-ZFWWWQNUSA-N 423.283 -0.120 50 20 HBGD Cc1ncc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)cn1 1785833804 XJDDJWRMRIBNDH-SNRMKQJTSA-N 424.266 -0.628 50 20 HBGD CC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1786433111 GHZCQIPRCDRHOJ-JQFCIGGWSA-N 417.466 -0.352 50 20 HBGD COc1nccnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1794374787 HAGHPNGPAWJOBS-YWVIFJGQSA-N 420.470 -0.939 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC(C)(C)O 1795363807 UBXIOJNHYUOHFW-MGRLTOJPSA-N 419.482 -0.129 50 20 HBGD C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795734254 LGSFZAVZCYAMRW-CYGHRXIMSA-N 416.283 -0.857 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1cnn2ncccc12 1796189159 DYMVRHZAXYBPTD-BJWYYQGGSA-N 419.250 -0.025 50 20 HBGD N=C(N)SCC(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809967116 VVIHVNGHRFPYKC-UHFFFAOYSA-N 418.328 -0.162 50 20 HBGD O=C(CCc1cncnc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830724753 YVDOFBMXNSANJI-MAUKXSAKSA-N 412.874 -0.535 50 20 HBGD O=C(c1cc(Cl)ncn1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830730930 GLDMWLNSGPUMJY-WBMJQRKESA-N 419.265 -0.200 50 20 HBGD O=C(CSc1nnc(O)[nH]c1=O)N/N=C1\C(O)=Nc2cc3c(cc21)OCCO3 18883619 YWBWAUDDSTWAEX-UHFFFAOYSA-N 404.364 -0.144 50 20 HBGD CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NNC(=O)NC2CCCC2)s1 746179150 XPYVGABFRYOMSP-UHFFFAOYSA-N 417.513 -0.065 50 20 HBGD Cc1oc(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1S(=O)(=O)N(C)C 753566699 VRKBELVSVFCKPZ-UHFFFAOYSA-N 419.423 -0.111 50 20 HBGD Cc1nc(N2CCOCC2)ccc1NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 757732615 IUYZRMAUHOHKBB-NSHDSACASA-N 400.461 -0.683 50 20 HBGD Cc1nn(C)c(C)c1OCC(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 758995674 UJMZNCPPNWPTPZ-HNNXBMFYSA-N 418.406 -0.054 50 20 HBGD COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CCC2(CC1)NC(=O)NC2=O 760890026 GRCSUDRDLAQSQI-UHFFFAOYSA-N 409.830 -0.216 50 20 HBGD Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)NNC(=O)CNC(=O)c1cccnc1 763826387 YRUJDRUNDQGAFQ-UHFFFAOYSA-N 409.424 -0.576 50 20 HBGD O=C(CN1C(=O)C(F)(F)Oc2ccccc21)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 794244752 OFEQXMFCAZEMEF-SECBINFHSA-N 418.378 -0.478 50 20 HBGD CCOC(=O)c1ccccc1S(=O)(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 799524410 LDEKUJGSWAFKJY-JTQLQIEISA-N 405.454 -0.457 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCC2([S@](C)=O)CC2)cc1 799714487 VTBISCUIZWNZAM-SANMLTNESA-N 416.525 -0.143 50 20 HBGD Cn1cc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c(O)nc1=O 915057487 CQSSAUATTUXJCZ-UHFFFAOYSA-N 421.435 -0.655 50 20 HBGD CC(C)(C)NS(=O)(=O)CCNC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 916622528 XIBRRMRXRWDDAW-UHFFFAOYSA-N 420.513 -0.248 50 20 HBGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 919689508 SPQZNIMSXVSNJH-JTQLQIEISA-N 417.397 -0.057 50 20 HBGD CS(=O)(=O)CC[C@@H](C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 1116847681 LEPJTPHHKOXBDO-ZIAGYGMSSA-N 402.494 -0.213 50 20 HBGD C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)N1C[C@H]2C[C@H]2C1 1778863380 IYGFWYPICXKLKV-PZTGFMGMSA-N 421.542 -0.471 50 20 HBGD Cc1ncc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)[nH]1 1779029239 PSYLPOOTXNPHTD-LJQANCHMSA-N 413.438 -0.526 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCCN3C)C2)C1 1781034265 FBFVZUVDKVWXIN-JXFKEZNVSA-N 409.531 -0.326 50 20 HBGD O=C(CCBr)N1CCO[C@@]2(CCN(C(=O)Cn3ccncc3=O)C2)C1 1782662049 ORDKZPQTLNSZHW-MRXNPFEDSA-N 413.272 -0.142 50 20 HBGD CC(C)CNC(=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1796915363 YOXAJQLJVSEQSH-BJWYYQGGSA-N 401.272 -0.610 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCNC1=N)C2 1799275020 LRCCTTGLASMQPB-DDFXLWFNSA-N 406.314 -0.348 50 20 HBGD O=C(Cn1ccncc1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2 1800197480 ULZYERCYIHRFSC-DRXBFXEBSA-N 413.272 -0.382 50 20 HBGD NC(=O)CC[C@H](N)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](O)CCl)n[nH]1 1814870274 MZPDYSVPOXYUQO-WCQGTBRESA-N 400.867 -0.406 50 20 HBGD O=C(CN1C(=O)CNC1=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](O)CCl)CC1 1824178930 MPYQDBFZAQINAZ-UONOGXRCSA-N 414.890 -0.242 50 20 HBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)Cn1ccnn1)CC2 1826085193 JIXYFPTWTWDDCK-LLVKDONJSA-N 420.499 -0.280 50 20 HBGD O=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1)c1ccccc1 1834702609 ZLSHYJLABSRGBT-HNAYVOBHSA-N 410.854 -0.075 50 20 HBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC12CN(C(=O)[C@@H](N)CN)C2 1844692509 DZKDUUVBESUGGB-AWEZNQCLSA-N 405.411 -0.377 50 20 HBGD O=C1Cc2cccc(C(=O)N3CCCC34CN(C(=O)c3cccc(B(O)O)c3)C4)c2N1 1845664493 FKGSGQLDGWXHAG-UHFFFAOYSA-N 419.246 -0.008 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 729275749 RJXGPDYFNDGVKI-BDAKNGLRSA-N 404.395 -0.597 50 20 HBGD CN1CC(=O)N(CC(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)C1=O 744621268 NHMNCOXLEFBLHC-UHFFFAOYSA-N 411.440 -0.955 50 20 HBGD CCn1nc(C(=O)NNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)c2ccccc2c1=O 746096846 NWXUXZUTQYGXLM-CYBMUJFWSA-N 414.466 -0.413 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cnc(-c2ccccc2)s1 764229798 CEDZFXFRVFNONQ-VIFPVBQESA-N 411.465 -0.166 50 20 HBGD COc1ccc(Cn2nccc2NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)cc1 764433836 OEOBHZFMWFCICV-AWEZNQCLSA-N 403.395 -0.559 50 20 HBGD CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 799857034 OYOMKEYKEHXFFM-JSGCOSHPSA-N 422.471 -0.676 50 20 HBGD Cc1c(S(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)cnn1C 813689538 NAFZTMPUHNAKET-UHFFFAOYSA-N 401.308 -0.283 50 20 HBGD Cc1ccc(C)c(OCC(=O)NNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c1 914829663 JYPYEBKBNNXLSZ-GJZGRUSLSA-N 423.491 -0.135 50 20 HBGD O=C(NNC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1)N[C@@H]1CCS(=O)(=O)C1 919884072 DQRAKLZMLNKJSR-QWHCGFSZSA-N 401.489 -0.568 50 20 HBGD CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2CC[C@H](B(O)O)C2)c1 1331894318 CVFOVFQETSBJJU-ZDUSSCGKSA-N 411.289 -0.538 50 20 HBGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1 1778933780 RJHLFQGNPNRGAY-ZUZCIYMTSA-N 401.261 -0.277 50 20 HBGD Cc1ncc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)[nH]1 1784715366 GOONQASQUQMUEA-ZVZYQTTQSA-N 412.255 -0.695 50 20 HBGD CCNC(=S)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](Cl)COC)C[C@@H]21 1790572392 XJEGXULDOQNUIV-XUXIUFHCSA-N 420.963 -0.296 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3ccncc3=O)[C@H]2C1 1790584307 KHFVSHKLYWCLMC-XQLPTFJDSA-N 412.874 -0.523 50 20 HBGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccncc3=O)C[C@@H]21 1791257357 BPBYKCHRUGHFHZ-XQLPTFJDSA-N 412.874 -0.523 50 20 HBGD CC[C@@H](C)[C@H](N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791289158 MBKOAOYNIOVEGP-CUGJGTHOSA-N 411.547 -0.288 50 20 HBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)CNC(C)=O 1793474361 VSQKJBTURIICGU-XGUBFFRZSA-N 403.907 -0.008 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCNC1=N 1795580310 MBAQIMYZEJUUND-DDFXLWFNSA-N 406.314 -0.348 50 20 HBGD COCCn1nccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1796585342 WUQIXWKCVASEIE-NEBZKDRISA-N 400.863 -0.668 50 20 HBGD CC(C)(C)OC(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1800673910 DJWVBISVVZXLQM-GFQSEFKGSA-N 405.879 -0.300 50 20 HBGD NC(=O)CC[C@H](N)C(=O)N1CC[C@H](CNC(=O)[C@@H](O)CCl)[C@H]1c1cccnc1 1803138227 IBNMXOMKFQISRE-ORIJERBGSA-N 411.890 -0.720 50 20 HBGD CN1CCC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)CC1 1829885544 HZPNHQRHIXMURQ-YJBOKZPZSA-N 403.907 -0.616 50 20 HBGD O=C(c1coc(Cl)n1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830725233 MBURJBRSWSHADZ-NHYWBVRUSA-N 408.238 -0.002 50 20 HBGD CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)n(C)n1 1838038721 GJZRSJUBGPZUSU-MAUKXSAKSA-N 414.890 -0.348 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(F)CC1)CCO2 1839756655 NFPPZZGCRNXGMH-SFHVURJKSA-N 421.429 -0.743 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncon3)C2)C1 1840034727 VVKAWYPDKQFSHN-HZMBPMFUSA-N 403.233 -0.077 50 20 HBGD Cn1c(=O)[nH]c(=O)c2[nH]c(CCC(=O)NNC(=O)c3cccc4cccnc34)nc21 64663232 HSGFZZPMEMODKT-UHFFFAOYSA-N 407.390 -0.108 50 20 HBGD C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 735586129 KZOBPORVTRNRJY-QAPCUYQASA-N 410.544 -0.027 50 20 HBGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 746308553 PIEIXRMCYKRIMX-RHSMWYFYSA-N 418.450 -0.846 50 20 HBGD COC(=O)/C=C\c1ccc(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1 747613909 YEGDUNZCXLIZMT-ABRRARGCSA-N 405.454 -0.880 50 20 HBGD COc1ccc(C(=O)NNC(=O)C(=O)N2CCCC2)cc1S(=O)(=O)NC(C)C 748246612 DVLBWTHZBQOHAF-UHFFFAOYSA-N 412.468 -0.235 50 20 HBGD Cc1c(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)nnn1-c1cccc2cnccc12 758050321 BFNVEYBPMGFSQL-JTQLQIEISA-N 417.451 -0.177 50 20 HBGD CN(C)CCOc1cc(CNC(=O)NNC(=O)CNC(=O)c2ccco2)ccn1 762571691 WWHIWWRQFKQIQZ-UHFFFAOYSA-N 404.427 -0.125 50 20 HBGD O=C(NNc1nccc(N2CCOCC2)n1)C1=CN2CCS(=O)(=O)N=C2C=C1 762866647 RMMHYJQTPHZZAL-UHFFFAOYSA-N 405.440 -0.746 50 20 HBGD CC(C)CC(=O)NNC(=O)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 763881770 JLJOXBUPALFKGJ-UHFFFAOYSA-N 419.482 -0.119 50 20 HBGD CNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)c2ccccc2OC)c2ccccc2O1 764042179 CTFDCJGPUQDWHU-INIZCTEOSA-N 412.402 -0.004 50 20 HBGD CC1CCC(NS(=O)(=O)CC(=O)NNC(=O)CNC(=O)c2cccnc2)CC1 764343336 OUPFHRPDCULRKW-UHFFFAOYSA-N 411.484 -0.543 50 20 HBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)Cc1cc(F)c(OC)c(S(N)(=O)=O)c1 772015509 HLQAKUQYWNNDHM-MRVPVSSYSA-N 405.404 -0.487 50 20 HBGD CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)C1=S=C2CCCC2=C1 786414335 LVDIBQXOSGKRHL-UHFFFAOYSA-N 405.436 -0.115 50 20 HBGD CN1CCN(c2ccc(NC(=O)C(=O)NNC(=O)CO)cc2Br)CC1 787894741 BPSCFXFESWKYMQ-UHFFFAOYSA-N 414.260 -0.721 50 20 HBGD O=C(NCC1=CCCOC1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 807594597 YQXMWTBNINPXNK-UHFFFAOYSA-N 424.479 -0.002 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CS(=O)(=O)CC(C)C)cc1 915685961 KQBSSRYJKDAEKP-UHFFFAOYSA-N 419.525 -0.166 50 20 HBGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)Cn2nc3n(c2=O)CCCCC3)c1 1317812797 MKSVKBMJTJJWQZ-UHFFFAOYSA-N 407.452 -0.364 50 20 HBGD CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)NN[C@]1(C)CCS(=O)(=O)C1)C2 1326902245 WBZIYTHEIKAYTR-GRDNDAEWSA-N 401.533 -0.549 50 20 HBGD Cc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)o1 1784659289 BIGAHFGPEADCFP-NRFANRHFSA-N 412.251 -0.046 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCN1C(=O)C=CC1=O 1793855225 SSJCXWQPFKUKAL-QDMKHBRRSA-N 419.482 -0.687 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cnn(C)c1 1795771365 XGIVNFJYTASCKR-CWPLJXCYSA-N 420.514 -0.685 50 20 HBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC1(F)F)C2 1797750953 WOHMFVAHGIKJDM-RDBQEKCUSA-N 409.393 -0.457 50 20 HBGD CN[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Br)C(=O)O 1799346473 RLKSKBKXBRMXRP-RWRJDSDZSA-N 410.240 -0.671 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncc(Cl)cn1)C2 1801009599 QFEQVCCIGZHENN-DRXBFXEBSA-N 424.889 -0.294 50 20 HBGD C[C@@H](CC(N)=O)C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809968728 BSLKSYDCQFKFOU-HNNXBMFYSA-N 415.299 -0.277 50 20 HBGD CN(C)C(=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1814620381 TVNKLAMIIGQZKZ-LBPRGKRZSA-N 416.268 -0.863 50 20 HBGD COC[C@H](Cl)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](N)CCC(N)=O)sc2C1 1814810230 LXIISNYVKQNNKS-UTLUCORTSA-N 417.919 -0.098 50 20 HBGD C[C@@H](CN)C(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819795250 LFTJYBJIYQSWSU-UWVGGRQHSA-N 417.495 -0.038 50 20 HBGD CN(C)C(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1835435868 VTZQQLJRGBAEBX-YGRLFVJLSA-N 410.240 -0.779 50 20 HBGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCO2)C1 1835748993 XWZNOGWHVMDZME-AHIWAGSCSA-N 404.895 -0.947 50 20 HBGD O=C(CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935711 NHBBSKSMNMXNJL-FQEVSTJZSA-N 402.256 -0.764 50 20 HBGD Cn1cc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cn1 1835986403 QREJAUGIYBXGCZ-QAPCUYQASA-N 414.890 -0.591 50 20 HBGD Cc1nn[nH]c1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1836302923 UGIVNGJLDSHLMF-FZMZJTMJSA-N 420.239 -0.126 50 20 HBGD Nc1n[nH]c(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Cl)C3)C2)n1 1837272337 SLRIUYRRLFAYGH-IUODEOHRSA-N 404.830 -0.690 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)[C@@H]1CNC(=O)C1)C2 1843417080 UFOZLBBHUFCJMW-AEOXGOBCSA-N 400.439 -0.540 50 20 HBGD C[C@@H](C(=O)N(C)CC(=O)NNC(=O)C1CCN(c2ncccn2)CC1)n1cccn1 728889944 JJICCMFZVZOMPV-AWEZNQCLSA-N 414.470 -0.244 50 20 HBGD CN(C)CCNC(=O)C1CCN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1 728925419 HRVHGYJITBDIOD-UHFFFAOYSA-N 420.470 -0.254 50 20 HBGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)c1csc(S(N)(=O)=O)c1 734240533 SUTWEQNEUHJWAD-UHFFFAOYSA-N 407.474 -0.136 50 20 HBGD Cc1nnnn1[C@H](Cc1ccccc1)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 735652702 PMLTYHBRTWGGDH-ZIAGYGMSSA-N 407.456 -0.717 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cc(C(N)=O)cn2C)cc1 755039862 IAOORWRIQYHWQX-UHFFFAOYSA-N 407.452 -0.486 50 20 HBGD C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 755231972 WDAPBXADFHBEDX-JQWIXIFHSA-N 421.472 -0.247 50 20 HBGD CC[C@H](C)C(=O)NNC(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 764081199 HPJGUTBOWRTJID-BBRMVZONSA-N 418.450 -0.167 50 20 HBGD Cc1cccc(F)c1NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 764691777 IHOLMHLTAMPWPM-UHFFFAOYSA-N 403.374 -0.266 50 20 HBGD C[C@H]1CN(CCC(=O)NNC(=O)[C@@H](C)S(=O)(=O)C2CCOCC2)C[C@@H](C)O1 767823376 UGOIDYKQKVKYQN-HZSPNIEDSA-N 405.517 -0.385 50 20 HBGD COc1ccc(N2CCN(C(=O)/C=C\C(=O)NNC(=O)C(=O)NC(C)C)CC2)cc1 778220750 BNFTVHMFJMXGKR-HJWRWDBZSA-N 417.466 -0.428 50 20 HBGD NC(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)o1 782414593 NTOIJSXTXXHMQC-UHFFFAOYSA-N 416.275 -0.633 50 20 HBGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1ccc(CCN2CCOCC2)cc1 783999181 KOPQMKANPNPLGH-UHFFFAOYSA-N 417.466 -0.730 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@@H]2CCC(=O)c3ccccc32)n(C)c1=O 786392181 PKDSBYYKJAFPCJ-CYBMUJFWSA-N 424.417 -0.659 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cc(F)c(F)cc1N1CCOCC1 806709296 FKRNLBSLQMQNBS-SECBINFHSA-N 421.426 -0.108 50 20 HBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@@H]1CCc2nnn(C)c2C1 809980064 HLKMFGAKLHMNIC-LLVKDONJSA-N 405.484 -0.017 50 20 HBGD CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NNc2ncnc3[nH]cnc23)cc1 810424745 TVHNGPTUBMZNBK-UHFFFAOYSA-N 419.423 -0.049 50 20 HBGD CC(C)S(=O)(=O)c1ccccc1C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1317993504 KBGDHYAOHBAHLS-NSHDSACASA-N 403.482 0.000 50 20 HBGD O=C(CCN1CCOC1=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2 1778776789 BFSMDMCTUIBVAP-HBUWYVDXSA-N 417.890 -0.058 50 20 HBGD CC(=O)C[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779034023 ITXFHKNIJXCQOO-RBZFPXEDSA-N 417.466 -0.256 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CC[C@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCO2)C1 1781227236 INYHVCPRECTVAX-RLCCDNCMSA-N 409.314 -0.355 50 20 HBGD O=C(CN1CCOC1=O)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781324586 AIBLNIMXXOPBJU-BXUZGUMPSA-N 408.224 -0.041 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)[C@H]3CCCOC3)C2)C1 1785497735 REFQINYHUBROAM-JXFKEZNVSA-N 402.256 -0.764 50 20 HBGD Cc1ccnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)c1 1787576367 DFMUVCXTVJHNQW-QRFRQXIXSA-N 423.278 -0.023 50 20 HBGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCCS3(=O)=O)C[C@@H]21 1791257375 CCJDALSLCTZCRQ-SBJFKYEJSA-N 422.931 -0.203 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(N(C)C)o1 1794604475 RJLXZDHXNOGHSN-FVCICTRLSA-N 422.486 -0.683 50 20 HBGD C[Si](C)(C)OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)N1CCOCC1 1797802624 AAOPEZKQPRSRPC-KPEUIFRASA-N 415.563 -0.922 50 20 HBGD COC[C@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)Br)C2 1797971848 USONMMAEQQDXOS-QKGWFMCXSA-N 420.304 -0.490 50 20 HBGD Cc1n[nH]c(C)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1798017693 QPULZUAZAZXJNC-ZSBFGKGUSA-N 406.487 -0.397 50 20 HBGD CN(C)CC(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807371070 PARSCUYNRUEILY-YLJYHZDGSA-N 410.283 -0.357 50 20 HBGD CC(C)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cnnn3)C2)C1 1830357828 LABPBYMJTGZAPG-INIZCTEOSA-N 400.867 -0.606 50 20 HBGD O=C([C@H](O)CCl)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@H](O)CC3)C2)C1 1830737832 JBKDLYDZRAPILT-ADAWSYLGSA-N 404.891 -0.406 50 20 HBGD O=C(C1CCC(CO)CC1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1832514074 JMHPCYQWUBAWTB-GETDIDHLSA-N 418.918 -0.159 50 20 HBGD O=C(CN1CCOC1=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1833384721 KGNACCLBIOFQPZ-HNNXBMFYSA-N 416.906 -0.390 50 20 HBGD CC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834824849 NRNMQBBCDCAALL-MLGOLLRUSA-N 420.304 -0.248 50 20 HBGD Cc1nnc(CC(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)s1 1843010976 BQIZKXSFMKRSBH-UHFFFAOYSA-N 400.269 -0.414 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)[C@H]2CC[C@@H]3CCC(=O)N3C2)C1 1845075777 KVFFNRVXMATHDS-JKSUJKDBSA-N 419.526 -0.036 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)CCc2cnccn2)C1 1846631056 YGEHZEWMRBXMDR-UHFFFAOYSA-N 409.450 -0.075 50 20 HBGD COc1ccc(NCC(=O)NNC(=O)CN(C)S(=O)(=O)c2cccnc2)cc1 107927766 NDWFSWQCEMCQHA-UHFFFAOYSA-N 407.452 -0.030 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] 728509904 BLDHCSUUBLMRDY-ZCFIWIBFSA-N 400.822 -0.505 50 20 HBGD COc1ccc(C(=O)NNC(=O)COC(=O)CNC(=O)c2ccccn2)cc1OC 740330399 NOAPOVYRTCGHQN-UHFFFAOYSA-N 416.390 -0.167 50 20 HBGD O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)c1ccc2c(c1)OCCO2 742503151 TXEHACQMGXVDLR-MPTQWLOMSA-N 401.375 -0.619 50 20 HBGD Cc1cccc(C(=O)NNC(=O)COC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)c1 744512766 MFGHALDRCPFQJU-UHFFFAOYSA-N 418.431 -0.203 50 20 HBGD O=C(NNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1)c1csc(N2CCOCC2)n1 748527095 CWFSQJAWRIMFIH-JTQLQIEISA-N 405.440 -0.483 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CCOC1CN(C(=O)OC(C)(C)C)C1 758049097 YFLZVGGGILPRNS-SNVBAGLBSA-N 408.477 -0.903 50 20 HBGD COCCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)CBr)CC2)CC1=O 758528809 XXQXLTNDTASNNN-NSHDSACASA-N 412.306 -0.692 50 20 HBGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)nc1 760205190 XHJAUSUYMJHSHM-YPMHNXCESA-N 414.488 -0.229 50 20 HBGD CCS(=O)(=O)Nc1ccc(S(=O)(=O)NNC(=O)[C@H]2COCCO2)c(OC)c1 761271743 NUTUBXQQPHVVQW-GFCCVEGCSA-N 423.469 -0.818 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@@H]2CN3CCCN2CC3)cc1 763463595 QKAJBTUJVTZXOB-INIZCTEOSA-N 409.512 -0.847 50 20 HBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccccc1Br 764001674 BTVRCYBTLBGKQB-QMMMGPOBSA-N 404.242 -0.030 50 20 HBGD COCC(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1C 764300598 UFBRTGOOSKNACJ-UHFFFAOYSA-N 400.457 -0.196 50 20 HBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(Br)cc1S(C)(=O)=O 764316372 AXLWJCPOZFMJJU-UHFFFAOYSA-N 422.257 -0.025 50 20 HBGD N=C1NC(=O)[C@H](CC(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)S1 766643581 QUJFTBILWZNMJG-ZDUSSCGKSA-N 418.479 -0.852 50 20 HBGD COCCCOCC(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 776231934 LLKLJODJGKXKCN-UHFFFAOYSA-N 401.489 -0.486 50 20 HBGD COC(=O)CNC(=O)NNS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 779845662 SEFUTOADZBMGKU-UHFFFAOYSA-N 420.469 -0.863 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2cccc3c2CCO3)n(C)c1=O 797670933 BBFJOZZWGSYVRE-UHFFFAOYSA-N 413.394 -0.779 50 20 HBGD CCNC(=O)N(C)NC(=O)C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 807014800 MDBSGCGNGQDMNA-QWHCGFSZSA-N 403.439 -0.286 50 20 HBGD Cc1noc(C)c1S(=O)(=O)NCC(=O)NNc1nc2ccccc2c(=O)n1C 810399063 MLSHEAFKVIFAHR-UHFFFAOYSA-N 406.424 -0.040 50 20 HBGD Cc1ccc(OCC(=O)NNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1C 914878638 NJCWECXNRVAHOH-GJZGRUSLSA-N 423.491 -0.135 50 20 HBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cnnn1)C2)[C@H](F)Br 1780771612 NJZJBIXMTFWTIC-SCDSUCTJSA-N 419.255 -0.123 50 20 HBGD Cc1cc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)no1 1784361210 LIMAWSLMSOSXHC-HXUWFJFHSA-N 413.239 -0.651 50 20 HBGD CC(C)(C)[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786978660 IQOPYQZIXONISU-LEUOFYLZSA-N 418.299 -0.633 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)c1cnc2ncccn12 1788001532 CZLATPFNSYDLHU-VIRABCJISA-N 407.858 -0.078 50 20 HBGD COC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)C1 1792964778 MTOXGEHKKZRLKY-DEPYFDJDSA-N 402.875 -0.235 50 20 HBGD Cc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)o1 1795741052 YGYBAYASXUWKBA-CWPLJXCYSA-N 412.251 -0.286 50 20 HBGD CCS(=O)(=O)CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796188005 SXGGCHOKKWQEMP-MUJYYYPQSA-N 408.285 -0.947 50 20 HBGD O=C(Cc1ccncc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1799108636 WTFHYFMJLCXRHE-XEMDLRDOSA-N 409.251 -0.793 50 20 HBGD CC[C@H](O)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815350607 ZTGVMWUGCWFXHP-OCCSQVGLSA-N 403.269 -0.180 50 20 HBGD O=C(N[C@H]1CCc2nc(NC(=O)[C@H]3C[C@@H](O)C3)sc2C1)c1cccc(B(O)O)c1 1818658589 YJFHJYXTFRUHSP-FPMFFAJLSA-N 415.280 -0.180 50 20 HBGD CN(C)CC(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834797890 IMSZHMVYXOPVHQ-UHFFFAOYSA-N 416.331 -0.887 50 20 HBGD CC1=C(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)CCO1 1836273419 BQXNXNUDSNXCSZ-HXUWFJFHSA-N 424.498 -0.490 50 20 HBGD C[C@H](CBr)C(=O)N1CC2(CCCN2C(=O)CNCP(=O)(O)O)C1 1842873234 YYPDHOGDNTWDHI-SNVBAGLBSA-N 412.221 -0.054 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)CNC(=O)N(C)C)C2 1843415190 WRUVQKVTIUHNMS-LPYMAVHISA-N 417.470 -0.405 50 20 HBGD O=C1NCc2cc(C(=O)N3CCCC34CN(C(=O)c3ccc(B(O)O)cc3)C4)ccc21 1844132879 FYGRVKSTUHXDPH-UHFFFAOYSA-N 419.246 -0.259 50 20 HBGD COc1ccccc1OCC(=O)NNC(=O)NCCS(=O)(=O)N1CCOCC1 52140964 VEQPIKGCPDGHIE-UHFFFAOYSA-N 416.456 -0.934 50 20 HBGD COc1ccc(C)cc1N1C[C@H](C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)CC1=O 729275308 NAHNJMGWLMRANE-NWDGAFQWSA-N 412.468 -0.558 50 20 HBGD COc1ccc(C(=O)NNC(=O)CCc2nc3c(O)nc(=O)n(C)c3[nH]2)c(OC)c1 729968889 CUNPUNIATMSJLM-UHFFFAOYSA-N 416.394 -0.227 50 20 HBGD C[C@H](C(=O)NNC(=O)COCc1ccccc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 744369026 QJYRUNMQINCXPM-TXNBRISYSA-N 401.419 -0.099 50 20 HBGD COc1cc(OC)cc(C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)c1 755045476 HLMKTVQEARUEQH-SNVBAGLBSA-N 411.440 -0.435 50 20 HBGD COC(=O)c1nc(Cl)ccc1S(=O)(=O)NNC(=O)CNC(=O)c1ccco1 755966079 NKXMWTXRCJTLHR-UHFFFAOYSA-N 416.799 -0.146 50 20 HBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1cc2c(cc1Br)OCCO2 764204598 WBBHDRFNSHJILL-UHFFFAOYSA-N 401.217 -0.132 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1c(F)cccc1-n1cccn1 764227626 OQYQBCCJGCRFAL-SECBINFHSA-N 412.403 -0.965 50 20 HBGD CCN1CCN(c2ccc(NC(=O)C(=O)NNC(=O)[C@H](C)OCCOC)cc2)CC1 764401041 UEBSFTJQPSCBMJ-HNNXBMFYSA-N 421.498 -0.034 50 20 HBGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)[C@@H](C)N3C(=O)CCC3=O)CC2)cc1 766646582 UBHODZSOSAVOIB-MRXNPFEDSA-N 415.494 -0.202 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2c(O)cccc2Cl)n(C)c1=O 768290715 NDDFZWIAYDQXBZ-UHFFFAOYSA-N 406.786 -0.746 50 20 HBGD NS(=O)(=O)N1CCC(C(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)CC1 772897449 IGAXANBLDYEBCW-UHFFFAOYSA-N 417.875 -0.981 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1nc2c(s1)CCCCCC2 789735783 UYHDZMZLPSCLBF-VIFPVBQESA-N 417.513 -0.174 50 20 HBGD CC(C)NC(=O)C(=O)N1CCN(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 795248874 KMEINKWLNLQYMX-UHFFFAOYSA-N 420.426 -0.975 50 20 HBGD CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 914719729 OTGGOZOQBSRELW-SNVBAGLBSA-N 421.472 -0.292 50 20 HBGD Cc1cc(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)ccn1 1779515811 AQMDGMDVKXUXOO-NRFANRHFSA-N 409.251 -0.173 50 20 HBGD CN1CCC[C@H](C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)C1 1780996942 HVOUEPOCYNWXOZ-UWJYYQICSA-N 415.299 -0.848 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cc2cc[nH]n2)C1 1781568732 WIRSRNVAYWMGJS-OXQOHEQNSA-N 420.514 -0.161 50 20 HBGD C[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1 1783539532 KVDNQEFZZPCAFL-BDJLRTHQSA-N 414.256 -0.475 50 20 HBGD Cn1cncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1786125129 JVAGDQVUWIEFKA-ZVZYQTTQSA-N 412.255 -0.993 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=CCCS3)C[C@@H]21)c1ccc(B(O)O)cc1 1786980091 ILEJESCPQQWECW-XIRDDKMYSA-N 416.308 -0.020 50 20 HBGD O=C1NC[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]3C2)O1 1789921178 BCYBITAWKMDQNS-QHZLYTNSSA-N 408.224 -0.235 50 20 HBGD Cc1ncoc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791288576 GWXSQLSEDSIISV-KKUMJFAQSA-N 407.471 -0.051 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)n3cnnn3)[C@H]2C1 1791692554 UBCQTIBZJNHMIS-QMVSFRDZSA-N 400.867 -0.532 50 20 HBGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@@H](N)C(N)=O)C2 1792868341 WKWWIKVKJZDBPP-ROEYZRMQSA-N 419.320 -0.800 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnc(F)c1)C2)c1ccc(B(O)O)cc1 1795732692 AALAVOFRCYHVET-JLVBRIDZSA-N 413.214 -0.583 50 20 HBGD C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1)C(F)(F)F 1795737118 UMQAWRFJLJNBNV-AGGWBTHJSA-N 412.173 -0.312 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1cnn2ncccc12 1796190958 IQKRAAKOCNGXAD-BJWYYQGGSA-N 419.250 -0.025 50 20 HBGD O=C(CCN1CCOCC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796191258 QHWFZCOXJCWHQX-REPLKXPHSA-N 415.299 -0.660 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc2ncccn12)c1ccc(B(O)O)cc1 1797554390 FLMSIMANEFCCGR-BJWYYQGGSA-N 419.250 -0.025 50 20 HBGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1C 1799374334 WRVQJHCIGRLXIN-VXUPGSCNSA-N 402.289 -0.020 50 20 HBGD Cc1onc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)c1C 1801010722 RZSBMGNDEABXPL-ZSBFGKGUSA-N 407.471 -0.132 50 20 HBGD O=C(c1cc2cccnn2n1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830730719 CGYVRXFBFMXZNL-CRAIPNDOSA-N 423.857 -0.601 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CS(=O)(=O)CC)CCO2)C1 1831340159 BNHBZHHQFYVYKM-CZUORRHYSA-N 410.920 -0.105 50 20 HBGD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1832795977 IXKUDTORNCBKHA-UKRRQHHQSA-N 419.797 -0.218 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn(C)cn3)CCO2)C1 1834450979 LENVNMOOBPQLDC-CXAGYDPISA-N 400.863 -0.256 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939420 PXYCYTAHJLWUHJ-VQIMIIECSA-N 424.690 -0.546 50 20 HBGD CC(C)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939756 GLVOHOBBEMKOGR-OAQYLSRUSA-N 418.299 -0.127 50 20 HBGD CC(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837457065 UQPKFWCCHTYMMO-IBGZPJMESA-N 405.455 -0.589 50 20 HBGD C[C@H](CN)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837829847 HOQQVVSRIZCSIH-OAHLLOKOSA-N 417.315 -0.427 50 20 HBGD C[C@H](NC=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1839164295 ZTWKFRPMLGBVFR-MJVIPROJSA-N 410.240 -0.732 50 20 HBGD O=C(c1nccc2nc[nH]c12)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010966 AOPJFYCNXPUEBO-UHFFFAOYSA-N 405.223 -0.232 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2ccc3nncn3c2)C1 1844087998 SZUDVHLDIJPLPH-UHFFFAOYSA-N 420.433 -0.141 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)[C@@H](O)Cc2ccccc2)C1 1846064768 NATCMTPOZZYADO-IBGZPJMESA-N 408.263 -0.213 50 20 HBGD NC(=O)c1ccccc1N1CC[C@H](NC(=O)NNC(=O)CNC(=O)c2ccco2)C1 732572347 BUCNWQBMRJUUAR-LBPRGKRZSA-N 414.422 -0.282 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(F)c(Br)c1 743257696 OOXVPXADFTVCBX-ZCFIWIBFSA-N 418.266 -0.165 50 20 HBGD Cc1c(C(=O)NNC(=O)c2ccc3c(c2)OCO3)cnc2c1c(=O)n(C)c(=O)n2C 747719244 KKZZPGKZULLWTB-UHFFFAOYSA-N 411.374 -0.256 50 20 HBGD Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NNC(=O)C(=O)N3CCCC3)C2=O)cc1 748247143 KPGLKYQOLMWMRK-IBGZPJMESA-N 401.423 -0.468 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCN(c2ccc(Cl)cc2)C1=O 758041165 WSXHCYLTXWRQII-JOYOIKCWSA-N 402.860 -0.222 50 20 HBGD CC[C@@H](C)n1ncc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1C1CC1 764234851 ZYYWAADCDRCLMF-ZJUUUORDSA-N 414.488 -0.245 50 20 HBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)cc1F 793381122 LFTBUZNTEXRXPU-SECBINFHSA-N 423.444 -0.400 50 20 HBGD COCCO[C@@H]1COCC[C@H]1NC(=O)NNC(=O)C1CCN(c2ncccn2)CC1 1116663030 SVIREFOXVPESIO-HZPDHXFCSA-N 422.486 -0.156 50 20 HBGD COCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779371039 IXUBTUPVZUWYLT-OXQOHEQNSA-N 419.482 -0.151 50 20 HBGD CCNC(=S)NCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](Cl)COC)CCO2 1782647468 VXMMUAAZFXTVMR-WBMJQRKESA-N 406.936 -0.446 50 20 HBGD C[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)Cn3ccncc3=O)CCO2)C1 1783537032 OWJXOZXUODUOIT-MLGOLLRUSA-N 413.272 -0.143 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786986558 LDQMRYHLTIZUFC-HJWJTTGWSA-N 424.690 -0.787 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)CN)C[C@@H]21 1787508627 DATWUCXMZPXUCR-UWFWABCNSA-N 418.498 -0.305 50 20 HBGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CNC(=O)C3)[C@H]2C1 1790862548 DBSWBTYMRSDKQB-FHUSYTEZSA-N 402.289 -0.114 50 20 HBGD CC[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(N)=O)[C@H]2C1 1792285879 KYIKYSHCRMNDAD-YFKTTZPYSA-N 405.293 -0.192 50 20 HBGD CC(C)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 1792783105 MXUJWGZEFREARL-GNXNZQSNSA-N 422.873 -0.114 50 20 HBGD O=C(CSc1ncccn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1795836299 ZLPUNQSQJOMDQH-OPDFLTKYSA-N 400.888 -0.242 50 20 HBGD Cc1nnsc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801011546 SHVYJVKHVJUNDG-JJLQDPRZSA-N 410.500 -0.577 50 20 HBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C1=NNC(=O)C1)CC2 1826087632 GXIYTPMCLCBMLK-SECBINFHSA-N 421.483 -0.696 50 20 HBGD CC(=O)c1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)n[nH]1 1830726535 ZCEAXJHRIPYDRV-RHSMWYFYSA-N 414.846 -0.718 50 20 HBGD O=C(c1[nH]nc2ccncc12)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830727958 LLVUZJNEPKNCDK-KBXCAEBGSA-N 423.857 -0.372 50 20 HBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(O)nn3)CC2)CC1)[C@H](O)CCl 1833308619 XVVNULQWWGZDOJ-OAHLLOKOSA-N 411.890 -0.033 50 20 HBGD Cc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Cl)C3)C2)c(=O)[nH]c1C 1833386976 MNHPFGBNKPZAHD-SUMWQHHRSA-N 416.837 -0.009 50 20 HBGD N#CC1(C(=O)NC2CCN(C3CCN(C(=O)c4cccc(B(O)O)c4)CC3)CC2)CC1 1834599858 ULKLRESZXKVWBB-UHFFFAOYSA-N 424.310 -0.145 50 20 HBGD CCO/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCC(=O)NN(C)C)CCO2 1840184705 BRWMVIVMVXAQKP-QPGLYAHGSA-N 412.487 -0.634 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C13CC(C1)C3)CCO2 1840600300 ZPIHRPODVHCWAI-RGKRWLCDSA-N 408.499 -0.384 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 728509916 SAIPMKLMYSIGHG-VIFPVBQESA-N 404.470 -0.791 50 20 HBGD Cn1cnc2c1c(=O)n(CC(=O)NNC(=O)Cn1ccc3ccccc31)c(=O)n2C 729450499 YHWAZNHDBOKVSI-UHFFFAOYSA-N 409.406 -0.764 50 20 HBGD CN(C)C(=O)CN1CCC(NC(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])CC1 731761934 OUCWACVOKAKMKD-UHFFFAOYSA-N 422.442 -0.143 50 20 HBGD COc1ccnc(NNC(=O)NCc2ccccc2S(=O)(=O)N(C)CCO)n1 733043589 OWFXULIQYVSLIK-UHFFFAOYSA-N 410.456 -0.076 50 20 HBGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)CNS(=O)(=O)c2cccs2)c1 744705375 NVCUQXXLBFNJDU-UHFFFAOYSA-N 422.444 -0.098 50 20 HBGD C[C@H]1CN(C[C@@H](C)C(=O)NNC(=S)NCCCN2CCOCC2)C[C@@H](C)O1 747726621 YHIKFTDIHXABGA-OAGGEKHMSA-N 401.577 -0.051 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2c[nH]c3ccc([N+](=O)[O-])cc23)n(C)c1=O 747764067 SSXDEBBHDAXHSE-UHFFFAOYSA-N 424.377 -0.027 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 758030956 UJQIXXDABJDCHU-BDAKNGLRSA-N 420.850 -0.083 50 20 HBGD CCOc1ccccc1OCC(=O)NNC(=O)NCCNS(=O)(=O)NC(C)C 759522469 PQPODZWUWCNDOZ-UHFFFAOYSA-N 417.488 -0.373 50 20 HBGD COc1ncc(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)cc1C(N)=O 763864859 LJDAKAZNDHOQCW-SECBINFHSA-N 419.369 -0.118 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(Cc2ccncc2)cc1 764226879 KTYAMKDFCJMMKU-LBPRGKRZSA-N 419.463 -0.304 50 20 HBGD CN(CCO)c1ccc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 764812393 KLGKSWLMQQBGGI-UHFFFAOYSA-N 413.438 -0.988 50 20 HBGD Cc1cc(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)nc2c1c(=O)n(C)c(=O)n2C 778437716 KKGXZNXVAWJGBS-UHFFFAOYSA-N 420.426 -0.774 50 20 HBGD COC(=O)Cn1ncc(NC(=O)C(=O)NNC(=O)COc2ccc(OC)cc2)c1C 796992703 WKVMPIGPMLRTGN-UHFFFAOYSA-N 419.394 -0.462 50 20 HBGD Cc1ccc(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1C(=O)OC(C)C 808088940 LYXQQKONFXYNDB-NSHDSACASA-N 421.497 -0.193 50 20 HBGD O=C(NNC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)N[C@@H]1CCS(=O)(=O)C1 1321948524 PPQQEFKWHBYPTK-LLVKDONJSA-N 405.436 -0.526 50 20 HBGD CC(C)OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1783660091 GRAQUODHMNSBHS-SZMVWBNQSA-N 404.272 -0.615 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncccn3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979534 VWALLSIMRDUTFH-XIRDDKMYSA-N 410.239 -0.937 50 20 HBGD CC[C@@H](NC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](Cl)COC)[C@H]2C1 1791253925 FQIFCOZWVJARFQ-QNSTZXKLSA-N 404.895 -0.333 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C12CC(F)(C1)C2 1793424085 NSPZXWYZCZNUSM-KYNXIJSSSA-N 402.231 -0.538 50 20 HBGD CCc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)n[nH]1 1801013458 ZYYGKIVXUHXHOV-IVWMJMPLSA-N 406.487 -0.452 50 20 HBGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)n1cnnn1 1801438329 GDCKTWPVGKNMAY-NAWOPXAZSA-N 415.292 -0.003 50 20 HBGD C[C@H](Br)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(=O)n3[nH]nnc3n1)C2 1801961001 CZEORKCJHOBXKJ-QEYWKRMJSA-N 424.259 -0.152 50 20 HBGD Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)nn1C 1830719681 HIFLMFQKRPLAJW-MAUKXSAKSA-N 414.890 -0.673 50 20 HBGD O=C([C@H](O)CCl)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)c3ccco3)C2)C1 1830719973 QCAIFNKIRKXGBA-IFIJOSMWSA-N 402.831 -0.631 50 20 HBGD N=C(N)SCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830722669 GSYVFWAGCMHDNU-ABAIWWIYSA-N 408.908 -0.941 50 20 HBGD O=C(c1cc(Cl)ncn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830730929 GLDMWLNSGPUMJY-MLGOLLRUSA-N 419.265 -0.200 50 20 HBGD CC(=O)NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CO[Si](C)(C)C)CCO2 1837715980 USZUKNGMYWCZEN-SFHVURJKSA-N 415.563 -0.180 50 20 HBGD CC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1839858231 PNRKEDUWAUURMR-OAHLLOKOSA-N 406.277 -0.636 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnnn3C)C2)C1 1840150107 GTLODERBQGVBOB-WBMJQRKESA-N 401.851 -0.861 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnc[nH]3)C2)C1 1840152214 BCCKKSUFXPJIMN-YOEHRIQHSA-N 400.863 -0.338 50 20 HBGD Cc1nn(C)c(C)c1CC(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012713 NDOMVTLAMDGHRV-UHFFFAOYSA-N 410.283 -0.224 50 20 HBGD C[C@@H](CBr)C(=O)N1CC2(CCCN2C(=O)[C@H](O)N2CCOCC2)C1 1844293370 FSZXXGUOSZLKEA-JSGCOSHPSA-N 404.305 -0.129 50 20 HBGD CC[C@H](Br)C(=O)N1CCCC12CN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2 1846070257 ZIEDFVGDNKSANK-VIFPVBQESA-N 424.259 -0.197 50 20 HBGD CN(c1ccc(CNC(=O)NNC(=O)CNC(=O)c2ccco2)cc1)S(C)(=O)=O 732245345 RVBROOFQFKTUJA-UHFFFAOYSA-N 423.451 -0.064 50 20 HBGD O=C(CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)COc1ccc(F)cc1 742477302 FWRJEMGDLLFPCU-KFZJALRRSA-N 405.382 -0.096 50 20 HBGD C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NNC(=O)CNC(=O)c1ccco1)C2=O 751206973 OTQOOIYEMAZDTN-ADLMAVQZSA-N 405.411 -0.343 50 20 HBGD Cn1nc(C(=O)NNC(=O)Nc2cnn(CC(=O)NC3CC3)c2)c2ccccc2c1=O 756797367 ZRQNLKCKTDNFCU-UHFFFAOYSA-N 424.421 -0.125 50 20 HBGD O=C(NNC(=O)N1CCN(c2ncc(F)cn2)CC1)c1ccc(-n2cnnn2)cc1 759211115 GCKAIIARBMOPDG-UHFFFAOYSA-N 412.389 -0.232 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccccc2OCC(N)=O)c1 761534088 ZJULKKLECUEGKS-UHFFFAOYSA-N 420.447 -0.124 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(N2CCCCC2)cc1 764230711 KCLNGRWGHNDZJJ-LBPRGKRZSA-N 411.484 -0.300 50 20 HBGD CSc1cc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)ccn1 766639282 OVXGXZREDIWOPZ-UHFFFAOYSA-N 403.424 -0.988 50 20 HBGD COC(=O)c1ccc(F)c(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)c1 784002806 UQLAKRMPTYRODU-UHFFFAOYSA-N 406.326 -0.279 50 20 HBGD O=C(CNS(=O)(=O)c1cccc(Br)c1)NNC(=O)c1cnn[nH]1 810353536 LSFZKVCZEGMMBU-UHFFFAOYSA-N 403.218 -0.693 50 20 HBGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 811684319 DLORNIVDIMFEKI-UHFFFAOYSA-N 424.479 -0.072 50 20 HBGD Cn1cnnc1COCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 814698572 JWYDFXCGBMBLDC-UHFFFAOYSA-N 422.467 -0.423 50 20 HBGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)[C@H]1CCCN(S(N)(=O)=O)C1 815267521 XZFCRBAOSGCIEG-AWEZNQCLSA-N 412.468 -0.856 50 20 HBGD CN(CC(=O)NNC(=O)Cn1cnc2ccccc21)S(=O)(=O)c1cccnc1 916111932 JZVJKLVVRZLQAU-UHFFFAOYSA-N 402.436 -0.101 50 20 HBGD O=C(NNC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1)N[C@H]1CCS(=O)(=O)C1 919884075 DQRAKLZMLNKJSR-STQMWFEESA-N 401.489 -0.568 50 20 HBGD O=C(Cn1cc(Br)ccc1=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919887085 XKESQDRUFYFGRE-SECBINFHSA-N 407.246 -0.872 50 20 HBGD O=C(Cn1c(S)nnc1-c1cccs1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919888954 IPCKLRZZVXDLAA-MRVPVSSYSA-N 416.510 -0.187 50 20 HBGD Cn1ccnc1CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1318279759 DVNCJKBVKANRHO-UHFFFAOYSA-N 422.467 -0.415 50 20 HBGD CC[C@H](C)[C@@H](N)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779030701 GPLCNZPRJYZDOH-OWZDWXTDSA-N 418.498 -0.498 50 20 HBGD C[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CN3CCOCC3)CCO2)C1 1783533458 WOKOLSWIRGQYIT-BBRMVZONSA-N 404.305 -0.068 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(=O)NCC(C)C)[C@H]2C1 1787528079 HMXVHBYLTZTBDH-XQLPTFJDSA-N 403.907 -0.008 50 20 HBGD C[C@H](NC(=O)c1ccccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792984389 ZOZJWTKVKAOKLX-IGNRKKQASA-N 424.885 -0.611 50 20 HBGD O=C(CS(=O)(=O)N1CCCC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)CCl 1793110095 KBEDTLBGPNXKMM-XJFOESAGSA-N 407.920 -0.350 50 20 HBGD CN1N=C(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)CCC1=O 1794038029 ZGEVETJCPBOEKK-MUJYYYPQSA-N 412.255 -0.774 50 20 HBGD O=C(C#Cc1ccccc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1795275694 NKZUPTRMASNJRL-HATOLVCRSA-N 418.258 -0.379 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnc(Cl)n1 1798082757 FZXKZKZDPHJJKU-DRXBFXEBSA-N 424.889 -0.294 50 20 HBGD C[C@H]1C[C@]1(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1799163378 AGKCZWPRBNPLBU-MAZZGDSDSA-N 401.467 -0.066 50 20 HBGD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1)[C@H](O)CCl 1803147631 XSSKIZPMSSDZDD-PMUMKWKESA-N 420.853 -0.388 50 20 HBGD C[C@H](NC=O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827056263 CLWZVRFSERVJGP-KXBFYZLASA-N 415.299 -0.266 50 20 HBGD O=C(CCc1cn[nH]c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830727034 ZNCWIPDHCHVQJE-YOEHRIQHSA-N 400.863 -0.602 50 20 HBGD Cn1ccc(=O)cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731703 MEFXSBBGUWEISZ-QAPCUYQASA-N 413.858 -0.945 50 20 HBGD CCn1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)n1 1834401440 IIJNLZRBSLSSRM-RHSMWYFYSA-N 400.863 -0.427 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)F)CCO2 1835484621 ALGMUTBWWOBYJA-GOSISDBHSA-N 402.467 -0.436 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc[nH]1)CCO2 1837784571 QMPXDUIMBVRUJL-FQEVSTJZSA-N 413.239 -0.922 50 20 HBGD O=C(Cc1ccccc1O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839907039 XVVIMNNLMXXSDN-LPHOPBHVSA-N 412.870 -0.009 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn(C)n3)C2)C1 1840031647 YENAPPBKOUCFDZ-NHYWBVRUSA-N 416.276 -0.332 50 20 HBGD O=C(CCc1ncc[nH]1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840323177 VIUNUQZHTQXWHW-DYVFJYSZSA-N 400.863 -0.602 50 20 HBGD O=C(Cc1ccc(O)cn1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840494893 YCQKHZNXSUFPPH-QAPCUYQASA-N 413.858 -0.614 50 20 HBGD CN(C)c1ccc(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)cn1 1843014231 MWHCSNZEAIXIIR-UHFFFAOYSA-N 408.267 -0.042 50 20 HBGD COC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)c2n[nH]c3c2CS(=O)(=O)C3)C1 1843131136 ZAZUBRSSYSUWQS-NSHDSACASA-N 416.887 -0.091 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2[nH]nc3ccncc23)C1 1843280259 AFIOPWRJPUMDDE-UHFFFAOYSA-N 405.223 -0.232 50 20 HBGD CCCCNC(=O)CN1CCN(CC(=O)NNC(=O)Cc2nc(C)cs2)CC1 27541289 GJPCMLMZCBYEOT-UHFFFAOYSA-N 410.544 -0.325 50 20 HBGD CCn1cc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cn1 727350704 SUFXWCHZOPVULU-UHFFFAOYSA-N 401.470 -0.223 50 20 HBGD O=C(NNc1nc(-c2cccnc2)no1)[C@H]1CC(=O)N(CCN2CCOCC2)C1 728075067 TYFPFEMQBLZAAE-AWEZNQCLSA-N 401.427 -0.245 50 20 HBGD Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 728384182 IYQLNOPCOAISHJ-KPZWWZAWSA-N 422.463 -0.656 50 20 HBGD Cc1nc2nc(N)nn2c(C)c1CC(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1 732264322 SSQDOPRTSVUJIJ-GHMZBOCLSA-N 404.475 -0.487 50 20 HBGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)CCCN1C(=O)NC(C)(C)C1=O 734242238 YIHMSIJUORZBAD-UHFFFAOYSA-N 414.463 -0.048 50 20 HBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)NCCOC)c1 740852626 FVLZCSXKUAAROD-UHFFFAOYSA-N 414.484 -0.323 50 20 HBGD O=C(CC[S@](=O)c1ccc2c(c1)OCCO2)NNC(=O)[C@H]1CCS(=O)(=O)C1 746102365 ASRVCYDHGWTESK-LJZMDLFKSA-N 416.477 -0.462 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cc(Br)cn(C)c1=O 757600633 SVYHGWAXNKLEJS-ZCFIWIBFSA-N 410.250 -0.762 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 758024293 BYERYKMBZIAODY-DTWKUNHWSA-N 404.395 -0.597 50 20 HBGD COC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)Cn2nc(C)cc2C)c2ccccc2O1 763884277 FBBDYRUCIOJPOL-OAHLLOKOSA-N 415.406 -0.385 50 20 HBGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(CN2CCOC2=O)cc1 764397756 MNRJFKNRZYPLEK-LBPRGKRZSA-N 408.411 -0.224 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)C3(C)COC3)CC2)cc1 782738734 ZVGDHMCIQXLSMP-UHFFFAOYSA-N 410.496 -0.515 50 20 HBGD O=C(NN=c1cc[nH]cc1)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 783378252 AHJGFCPJNONOAT-KRWDZBQOSA-N 411.418 -0.400 50 20 HBGD COc1ccc(C(=O)NNC(=O)COC(=O)[C@H](C)n2cnc(C#N)n2)cc1OC 798740653 ZNFYJFPFUWYVSP-JTQLQIEISA-N 402.367 -0.268 50 20 HBGD Cn1nc(SCC(=O)NN=Cc2ccc(-n3cncn3)cc2)c(=O)n(C)c1=O 863968610 XYEWSZLGBCSDQZ-UHFFFAOYSA-N 400.424 -0.698 50 20 HBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)Cn1nc2ccccn2c1=O 892832602 QHGWYBZFZCPPOX-UHFFFAOYSA-N 417.451 -0.441 50 20 HBGD C=CCNC(=S)NNC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 913438099 NNJWZZPTGZWCSS-UHFFFAOYSA-N 404.539 -0.007 50 20 HBGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1 915077611 YMRIDWBJNGNTSH-GREKMHCPSA-N 417.443 -0.342 50 20 HBGD CN(CC(=O)NNC(=O)COc1ccc(C#N)cc1)S(=O)(=O)c1cccnc1 915261969 LWSRAVLRNQENRV-UHFFFAOYSA-N 403.420 -0.200 50 20 HBGD N#Cc1ccc(OCC(=O)NNC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)cc1 921234474 ARLCIQPOOUUVMB-UHFFFAOYSA-N 401.404 -0.418 50 20 HBGD O=C(NNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1n[nH]c2c1CCCC2 1322511663 ZUCNRDPFBNODMD-CYBMUJFWSA-N 404.471 -0.770 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)C1 1781102224 BACBYEIRXXJSRK-FCEWJHQRSA-N 416.950 -0.294 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)[C@H]1CCCS1(=O)=O 1790744600 IOJNNVHDFKUZNH-HTVCTNPSSA-N 408.904 -0.857 50 20 HBGD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2)N1C[C@H]2C[C@H]2C1 1797637510 MENYWZOJVBFLKK-OEGABVSNSA-N 421.542 -0.711 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc[n+]([O-])cc1)C2 1798439872 MMMRHBDGMKWIEJ-QDMKHBRRSA-N 410.434 -0.116 50 20 HBGD O=C(CC[C@H]1CCOC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1801577864 RGNZJAOEMVDKCI-REGYPHIPSA-N 416.283 -0.614 50 20 HBGD NC(=O)[C@H](N)CCC(=O)N1CC[C@H](CNC(=O)[C@H](O)CCl)[C@H]1c1cccnc1 1803138885 OYHVFIFGSNXQEM-IXYNUQLISA-N 411.890 -0.720 50 20 HBGD C[C@H](NC=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCC(=O)NN(C)C)CC2 1822903360 SIPJOSIOOXDPKO-QWRGUYRKSA-N 410.500 -0.437 50 20 HBGD Cc1nn(C)c(C)c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830726250 PVYFFEANFQOJCY-RDTXWAMCSA-N 414.890 -0.293 50 20 HBGD C[C@](O)(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1)C(F)(F)F 1832149640 BCZXIEFCDHLRBU-DDTOSNHZSA-N 418.796 -0.644 50 20 HBGD Cc1cc(C)n(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)n1 1833035868 UCLLEJDISFDRBB-CRAIPNDOSA-N 414.890 -0.444 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C(=O)OC)CC3)C2)C1 1840156729 YHSCDIZHMPQYAT-SUMWQHHRSA-N 418.874 -0.350 50 20 HBGD COC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)CN2CCS(=O)(=O)CC2)C1 1841895082 VTBSLCWVLRWDLU-ZDUSSCGKSA-N 407.920 -0.826 50 20 HBGD COCCCNC(=O)NNC(=O)c1ccccc1S(=O)(=O)N1CCOCC1 139573717 ZQWCEUBCAXSCSN-UHFFFAOYSA-N 400.457 -0.312 50 20 HBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)CN2CCCCC2=O)CC1 735117660 FIIPXBFJEIJNCY-UHFFFAOYSA-N 410.500 -0.527 50 20 HBGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)c2ccc(S(N)(=O)=O)s2)cc1 744885551 WJSUIKXWMMLAJM-UHFFFAOYSA-N 408.417 -0.115 50 20 HBGD COc1ccc(C(=O)NNC(=O)COC(=O)[C@@H](C)CS(C)(=O)=O)cc1OC 747074063 DOGRHUBUEYNFEL-JTQLQIEISA-N 402.425 -0.311 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 758041535 ZZIORKBXYOWZSR-AAEUAGOBSA-N 414.459 -0.237 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 758041536 ZZIORKBXYOWZSR-DGCLKSJQSA-N 414.459 -0.237 50 20 HBGD COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NNC(=O)c2cc(C)[nH]n2)C1=O 771276320 WKZLUCDVMJEALF-GOSISDBHSA-N 400.395 -0.045 50 20 HBGD Cn1cc(CN2CCN(CC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)CC2)cn1 772752509 XATMFPMAFFLZNQ-UHFFFAOYSA-N 401.427 -0.093 50 20 HBGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)cc(Cl)c1F 792266270 PFNWKUJKRWYEJQ-JTQLQIEISA-N 403.750 -0.233 50 20 HBGD COCN1C(=O)CCc2cc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)ccc21 801782398 ICWNQUHGZOCOCV-SNVBAGLBSA-N 413.456 -0.340 50 20 HBGD Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 818072616 BHGLQYMBNLBUTQ-UGMNDJHYSA-N 408.415 -0.299 50 20 HBGD C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779029429 RZLMJBSRGDDRLH-VBKZILBWSA-N 415.450 -0.833 50 20 HBGD CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1781401303 YLQNJSAUGWNBLS-FOIQADDNSA-N 417.271 -0.389 50 20 HBGD CN1CCC(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)CC1 1783932948 MEFDKAKLUYGLCP-HXUWFJFHSA-N 409.531 -0.469 50 20 HBGD NC(=O)[C@H](N)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1786891552 ZFJXEFAGLLWKCD-JPYZYGQNSA-N 423.283 -0.751 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCCC3)C[C@@H]21)c1cccc(B(O)O)c1 1786982318 XDTIREHMQDPLDV-WDSOQIARSA-N 415.299 -0.945 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Cl)[C@H]2C1 1787446587 ROVRHKBUXJJEEP-NZPIUUIZSA-N 413.837 -0.187 50 20 HBGD COC[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1793437882 JWWKVKVJEYMNDS-GWLPNEETSA-N 419.482 -0.008 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccccn1)C2)c1cccc(B(O)O)c1 1795739126 WSGGTUGJSHPIDX-CWPLJXCYSA-N 409.251 -0.793 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NNC(=O)C1)C2 1796892074 XZXHQVLUMSWIBO-DANCKDMQSA-N 413.438 -0.366 50 20 HBGD COC(OC)C(=O)N1CCCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1 1805770799 CSZBHBTWRLAIJV-UHFFFAOYSA-N 404.272 -0.170 50 20 HBGD CC(=O)c1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)n[nH]1 1830726537 ZCEAXJHRIPYDRV-YOEHRIQHSA-N 414.846 -0.718 50 20 HBGD O=C(c1cnc2ncccn12)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830727976 MHWWEIOGLJIWKC-KSSFIOAISA-N 423.857 -0.601 50 20 HBGD Cn1nncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1833228357 SNXNJORAZCUINE-OAHLLOKOSA-N 416.276 -0.330 50 20 HBGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1834819427 OGBSAVRQDKXXPD-SMDDNHRTSA-N 413.696 -0.173 50 20 HBGD C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839840201 AAOWQIRAVXBKJG-IERDGZPVSA-N 416.283 -0.351 50 20 HBGD C[C@@H](NC(=O)NNC(=O)C(=O)N1CCCC1)c1cccc(S(=O)(=O)N(C)C)c1 727609180 IOQLBWCXQMPSGF-GFCCVEGCSA-N 411.484 -0.049 50 20 HBGD Cc1nnc(NNC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)nc1O 728208009 IOEHLYBJVYVQHS-LLVKDONJSA-N 410.460 -0.230 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)COc1cccc(NC(=O)c2ccco2)c1 729275014 JOACEVHMUFVDKD-LLVKDONJSA-N 424.435 -0.004 50 20 HBGD COCCCNC(=O)NNC(=O)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 746168843 SXFOMFDBGPYYEW-HNNXBMFYSA-N 418.454 -0.097 50 20 HBGD O=C(NNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)C(=O)N1CCCC1 748247568 QZKQEZFCFQSNHR-HNNXBMFYSA-N 408.480 0.000 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 758028050 YRWBWGUKGHUMBD-SECBINFHSA-N 411.396 -0.393 50 20 HBGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)CN3CCCNC3=O)CC2)cc1 766649348 NZSTYHKJKZWWMJ-UHFFFAOYSA-N 402.499 -0.325 50 20 HBGD COCCO[C@@H](C)C(=O)NNC(=O)NCCNS(=O)(=O)c1ccc(F)cc1F 799673400 AKUUIEYVVUZCGW-JTQLQIEISA-N 424.426 -0.375 50 20 HBGD CS(=O)(=O)N1CCC[C@@H](NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1 920240275 PFCLCWOMDDBTHZ-GFCCVEGCSA-N 408.444 -0.970 50 20 HBGD C[C@H](C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 920744874 GDAGEVZIWMLJIN-WYUUTHIRSA-N 400.457 -0.932 50 20 HBGD CNS(=O)(=O)c1cc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)ccc1OC 1324087376 WHKWEIUKEBYIDC-LBPRGKRZSA-N 405.498 -0.291 50 20 HBGD O=C(c1nc(O)n2c1CCCC2)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1779344109 NCSOSKOJRLSDFC-FZKQIMNGSA-N 412.874 -0.032 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccccn3)C[C@@H]21)c1cccc(B(O)O)c1 1786984328 DRJQXJVGEVJHRK-VDGAXYAQSA-N 423.278 -0.403 50 20 HBGD CN1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1792999460 QXJFUHGBLMVSDC-UKBAYJJMSA-N 415.299 -0.946 50 20 HBGD CC[C@H](NC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1795724391 INRZBMWLZXBJLG-BCMCZCDPSA-N 418.498 -0.292 50 20 HBGD CC(=O)Nc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)ccn1 1796742823 JUOQJXDKOSPIMS-FQLMCAECSA-N 410.858 -0.157 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830064848 UTISYCLXONFOJU-LJQANCHMSA-N 409.487 -0.634 50 20 HBGD C[C@H](CC(N)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1831609654 QTXCTKLIZBXRSX-RDTXWAMCSA-N 415.563 -0.194 50 20 HBGD Cc1ccn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)n1 1833080537 BFEFVFBUIUNQHY-YOEHRIQHSA-N 400.863 -0.752 50 20 HBGD O=C(CN1CCOCC1)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1834619415 PLIRSKLBTAOLCE-QGZVFWFLSA-N 416.950 -0.510 50 20 HBGD CCOC(=O)/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1834769611 NXEWCAWZQPLYHL-CFUPXEQDSA-N 404.847 -0.838 50 20 HBGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)c1nc[nH]n1)CCO2 1836347132 MMIVDBJQXNNCQV-AWEZNQCLSA-N 402.249 -0.340 50 20 HBGD C[C@H](C(=O)N1CC2(CCCN2C(=O)CCC(=O)NN(C)C)C1)[C@H]1SC(=N)NC1=O 1846384824 NMBPVDZVXSKOPS-SMDDNHRTSA-N 424.527 -0.635 50 20 HBGD CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 10214393 RXJUXKLZXYXVEC-YPMHNXCESA-N 417.509 -0.041 50 20 HBGD COc1ccc(CN2C[C@H](C(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)CC2=O)cc1 726527235 AAPCJBIROGXCMN-KGLIPLIRSA-N 424.479 -0.439 50 20 HBGD CN(CCc1ccccn1)C(=O)CNC(=O)NNC(=O)CNC(=O)c1cccs1 727479944 REPTUXGBEWFSGN-UHFFFAOYSA-N 418.479 -0.096 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3ccc(=O)n(C)n3)cc2)CC1 728214807 SNYZPOJWFUJQLQ-UHFFFAOYSA-N 406.468 -0.527 50 20 HBGD CCOc1ccc(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1OCC 728509703 LNYVROVLPQPWNQ-SNVBAGLBSA-N 409.486 -0.269 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Cn1c(S)nnc1-c1cccs1 729275169 MNPHIONDZWTHPN-ZETCQYMHSA-N 404.499 -0.620 50 20 HBGD O=C(CNC(=O)c1cccs1)NNC(=O)NCc1nnnn1-c1ccccc1 730580634 NWGRZLDXSRAGFI-UHFFFAOYSA-N 400.424 -0.016 50 20 HBGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)CNS(=O)(=O)c1cccs1 734241301 AVRVCFCBHXLYRD-UHFFFAOYSA-N 421.501 -0.119 50 20 HBGD N#Cc1ccc(OCC(=O)NNC(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)cc1 734686605 RGEKGBFUMUWMKK-QGZVFWFLSA-N 416.482 -0.326 50 20 HBGD O=C(COCc1ccccc1)NNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 737636222 DVRNFTZWXMENNH-CQSZACIVSA-N 422.463 -0.484 50 20 HBGD NC(=O)N1CCC[C@H](C(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)C1 744621485 YIEOLNPUYKZKRN-ZDUSSCGKSA-N 411.484 -0.059 50 20 HBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 746235449 WPJFOKACVZWTJQ-SNVBAGLBSA-N 406.424 -0.820 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)Cn3cnc([N+](=O)[O-])n3)cc2)CC1 748618776 GXTKYXPVCYODHC-UHFFFAOYSA-N 424.443 -0.734 50 20 HBGD CCn1nc(C(=O)NNC(=O)c2coc(S(N)(=O)=O)c2)c2ccccc2c1=O 757628918 NQGUPBPFUKEJOX-UHFFFAOYSA-N 405.392 -0.268 50 20 HBGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 760431443 DNFDVDNCHBXMQI-MHWZDGSBSA-N 410.427 -0.789 50 20 HBGD CCOCC(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)N[C@@H](C)CC)c1 764325043 BCHATRXOINIWHV-NSHDSACASA-N 400.457 -0.114 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccnc3ccccc23)n(C)c1=O 765730980 QEGKGZJSIDFXDI-UHFFFAOYSA-N 407.390 -0.557 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cnn(CCN(C)C)c1-c1ccccc1 806788218 QUWFQOXLVGHQSF-CYBMUJFWSA-N 422.511 -0.190 50 20 HBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CN1CCCS1(=O)=O 916134710 XLCAFONNLXCRNM-UHFFFAOYSA-N 403.486 -0.915 50 20 HBGD Cc1csc(CC(=O)NNC(=O)CN2CCCC[C@@H]2CCNS(C)(=O)=O)n1 917159232 NYXCCSFVDKUNAG-CYBMUJFWSA-N 417.557 -0.065 50 20 HBGD O=C1Nc2c(cccc2C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)C1=O 1778706821 FELAKIYIKRYSEA-BFUOFWGJSA-N 421.837 -0.135 50 20 HBGD O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1779098482 ICKATVVGIXEQSO-YIFOHVSPSA-N 403.863 -0.055 50 20 HBGD CC(C)(CCl)C(=O)N1CCO[C@]2(CCN(C(=O)CN(CCO)CCO)C2)C1 1783256822 SUGMEMLUBMDWBO-SFHVURJKSA-N 405.923 -0.632 50 20 HBGD COc1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)n1 1783936852 VTZQGNFXTXBJIA-FQEVSTJZSA-N 419.482 -0.093 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)[C@@H]1C[C@]1(F)Cl 1791366458 BZMFQQMHOGRXFO-DOQDNZIXSA-N 424.665 -0.116 50 20 HBGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)n3cnnn3)[C@H]2C1 1791691663 ZFNACSGASMBDOL-VLJOUNFMSA-N 415.292 -0.003 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)n3cnnn3)[C@H]2C1 1791692556 UBCQTIBZJNHMIS-YHQUGGNUSA-N 400.867 -0.532 50 20 HBGD Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)nc1C 1795737201 CLALRNBHQVSVHB-XEMDLRDOSA-N 423.278 -0.105 50 20 HBGD C[Si](C)(C)OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1nc(N)n[nH]1)C2 1797956910 MQBVXFIBLQTXDF-DRXBFXEBSA-N 410.551 -0.239 50 20 HBGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCC(=O)NC1)C2 1800754181 HZALQEWSWSDMQU-GCQYFTOKSA-N 402.289 -0.114 50 20 HBGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)N1C)C2 1800759747 FXLMGRGLPAOPLP-HNRZYHPDSA-N 402.289 -0.020 50 20 HBGD O=C(CCN1CCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1802189055 COCCVKIQLAGBJS-XEMDLRDOSA-N 415.299 -0.945 50 20 HBGD NC(=O)NCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827055227 SHDJSHXKSDGKAA-QGZVFWFLSA-N 416.287 -0.732 50 20 HBGD Cc1cccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)n1 1830911932 AQMNITGUVTZNJQ-VQIMIIECSA-N 411.886 -0.011 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN(C)C(C)=O)CCO2)C1 1832297935 WPFONZOQTOHRKQ-CRAIPNDOSA-N 419.906 -0.435 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(C)=O)C2)C1 1840155403 AVNNRSXQHGKSRQ-PBHICJAKSA-N 405.879 -0.777 50 20 HBGD COc1ccc([C@@H](O)C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)cc1 1843010336 FMSWXEPKHCNQKN-LJQANCHMSA-N 424.262 -0.074 50 20 HBGD O=C(Cn1cnc2ccccc21)NNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 17404800 FALFULAFYYOKIF-UHFFFAOYSA-N 400.420 -0.319 50 20 HBGD O=C(Cn1ccc2ccccc21)NNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 729451990 NBCJOLGYKNUGJZ-QGZVFWFLSA-N 413.478 -0.031 50 20 HBGD Cn1nc(SCC(=O)NN=Cc2ccc(N3CCOCC3)s2)c(=O)n(C)c1=O 730568764 AHYVPZPTJIEYPG-UHFFFAOYSA-N 424.508 -0.381 50 20 HBGD Cc1c(/C=C(\C#N)C(=O)N[C@H](C)C(=O)N2CCS(=O)(=O)CC2)cc(C#N)n1C 731476446 CPXFEWNZPANCOI-AZZDOICSSA-N 403.464 -0.126 50 20 HBGD O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)NNC(=O)C(=O)Nc1ccccn1 758839356 DHBOVZWXOKEJFA-HXUWFJFHSA-N 422.401 -0.439 50 20 HBGD C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)c1ccccc1O 770949250 CJJVVWBJGLHVNM-JTQLQIEISA-N 406.420 -0.381 50 20 HBGD CCOC(=O)CON=C(C(=O)NNC(=O)[C@@H]1Cc2ccccc2O1)c1cc[nH]n1 772158349 YKRXQSIOFWDVOQ-AWEZNQCLSA-N 401.379 -0.155 50 20 HBGD Cn1c(=O)oc2cc(NC(=O)C(=O)NNC(=O)CNC(=O)c3cccs3)ccc21 784003207 BVOFPZRWELLATE-UHFFFAOYSA-N 417.403 -0.291 50 20 HBGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)cc(Cl)c1F 792279774 NIDFAUGOGWBPEH-UHFFFAOYSA-N 414.777 -0.026 50 20 HBGD CN(C)N(C(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)[C@@H]1CCS(=O)(=O)C1 792855462 RYBCYTPMQJNSPP-MLGOLLRUSA-N 416.500 -0.906 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)CS(C)(=O)=O)CC2)cc1 919691188 ZCACIZUBJTYYHH-UHFFFAOYSA-N 417.509 -0.412 50 20 HBGD Cc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)cc(O)n1 1783934344 FAVOUUUDDGRGQD-HXUWFJFHSA-N 419.482 -0.088 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)C(Cl)Cl)C2)C1 1783946648 DFROTGNVHAYMPK-INIZCTEOSA-N 401.055 -0.386 50 20 HBGD CCC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21 1784616538 YMTHBMGYRKBSLO-XUXIUFHCSA-N 414.890 -0.075 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CC3(F)F)[C@H]2C1 1788134378 RSPACSAXVPVGRN-FQUUOJAGSA-N 402.442 -0.006 50 20 HBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(O)nn1 1794906184 HZCWAMGIFGZDEX-ZSBIGDGJSA-N 411.422 -0.254 50 20 HBGD Cc1ccnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c1 1795734491 QSJRBCWCOUSQHP-HGKCTWBKSA-N 409.251 -0.413 50 20 HBGD CC(=O)N(C)[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1796903081 DOPGBKVXDZPDCS-GQAVTEOGSA-N 401.272 -0.515 50 20 HBGD Cc1nn(C)c(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1831804607 RXFKUROTKKLXIS-RDTXWAMCSA-N 414.890 -0.293 50 20 HBGD O=C(Cn1cc([N+](=O)[O-])cn1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1832795975 IXKUDTORNCBKHA-HIFRSBDPSA-N 419.797 -0.218 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccco1)CCO2 1833920320 IRLPYLVOILAZAN-FQEVSTJZSA-N 414.223 -0.657 50 20 HBGD O=C(c1cc(O)n[nH]1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199837 WDXICNUYTVYACH-SMDDNHRTSA-N 421.223 -0.124 50 20 HBGD O=C1CCCCN1CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840103809 SYRQSRRCZAPARB-KBXCAEBGSA-N 417.890 -0.945 50 20 HBGD O=C([C@H](O)CCl)N1CC2(CCCN2C(=O)[C@@H]2CCc3nc(O)nc(O)c3C2)C1 1842056948 VVIDQUAOMAPCHN-ZWNOBZJWSA-N 410.858 -0.204 50 20 HBGD COCCn1ccc(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)n1 1843013815 QLOAZVKSRIEJHG-UHFFFAOYSA-N 412.255 -0.660 50 20 HBGD Cc1ccc(S(=O)(=O)NCCNC(=O)NNC(=O)CNC(=O)c2ccco2)cc1 725871625 OOVYZGNRCCAFKQ-UHFFFAOYSA-N 423.451 -0.373 50 20 HBGD CN(C)CCNC(=O)c1cccc(CNC(=O)NNC(=O)C(=O)N2CCCC2)c1 727603666 AILXULOVJQZJCE-UHFFFAOYSA-N 404.471 -0.569 50 20 HBGD C[C@H]1CN(CCC(=O)NNC(=O)CCCS(=O)(=O)N2CCCC2)C[C@H](C)O1 732263118 JXUZGWBCFRBBIA-GJZGRUSLSA-N 404.533 -0.161 50 20 HBGD COCCCNC(=O)NNC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 746167580 VFZGHCVNZXWKEB-LLVKDONJSA-N 413.456 -0.946 50 20 HBGD CCn1cc([C@H]2C[S@](=O)CCN2C(=O)NNC(=O)CNC(=O)c2ccco2)cn1 753120183 FJNFCCXYDHOFGT-JYCIKRDWSA-N 422.467 -0.228 50 20 HBGD COc1ccc(C(=O)NCCCC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1 758030354 PZIPAJXWFNQDCV-LLVKDONJSA-N 400.457 -0.710 50 20 HBGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1ccnn1Cc1ccc(F)cc1 760301936 LUAIAQKYLMMTCA-UHFFFAOYSA-N 402.386 -0.221 50 20 HBGD CCCOC(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 764002568 NWMUSYZZIUWIEA-GFCCVEGCSA-N 411.436 -0.226 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)N1CC2(CCC2)c2c(F)cccc21 764227720 QTPSHQSSAWPYDV-JTQLQIEISA-N 412.443 -0.321 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c(Br)c1 764228234 WEZXSDCXJUTUEL-QMMMGPOBSA-N 421.273 -0.219 50 20 HBGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C(=O)c2nccn2C)cc1 764400711 QYBQVPMYLGQFMN-LBPRGKRZSA-N 417.422 -0.212 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C2(Cc3ccccc3)CC2)n(C)c1=O 766638703 IVCVRSNMIRSABZ-UHFFFAOYSA-N 410.434 -0.396 50 20 HBGD C[C@H](C(=O)N(C)C)S(=O)(=O)NN(C)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 774926662 KKAXGHFBRFHXPG-GFCCVEGCSA-N 421.520 -0.098 50 20 HBGD O=C(N[C@]1(C(=O)NNC(=O)C(=O)N2CCCC2)CCOC1)OCc1ccccc1 780921247 OALSXBYOTYQXAP-LJQANCHMSA-N 404.423 -0.158 50 20 HBGD COCCn1nnc2c1CCN(CC(=O)NNC(=O)c1ccc(OC)c(OC)c1)C2 815129528 BRBLNEJNZLZRMS-UHFFFAOYSA-N 418.454 -0.239 50 20 HBGD CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)NNC(=O)[C@H]2CCc3nncn3C2)=NO1 816887388 YNBXASHIEJTTED-QWRGUYRKSA-N 407.431 -0.343 50 20 HBGD CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NNC(=O)C1CCC1 1318434743 SMGORVZZEMVKSR-CQSZACIVSA-N 417.509 -0.284 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3cncs3)CCO2)C1 1779030637 FHJUDGLFWPAGHA-SFHVURJKSA-N 416.463 -0.101 50 20 HBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cnnn1)C2)[C@@H](F)Br 1780771611 NJZJBIXMTFWTIC-MPKXVKKWSA-N 419.255 -0.123 50 20 HBGD CS(=O)(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781335085 SKJGMDPLJBBOME-DGCLKSJQSA-N 415.281 -0.059 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)CSCC(=O)OC)CCO2)C1 1783870977 KVDAQLFOCOKIBN-LRDDRELGSA-N 408.904 -0.024 50 20 HBGD CC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1789860380 RDINFDPDWMVAAU-HJWJTTGWSA-N 408.691 -0.023 50 20 HBGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCCC3=O)C[C@@H]21 1791251494 JUQNNDVIPCHSQS-AJNGGQMLSA-N 401.891 -0.158 50 20 HBGD Cc1nn(C)c(C)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1793526246 ISNAXGZVCRHZSN-CCWDJLKJSA-N 420.514 -0.387 50 20 HBGD CCS(=O)(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCC(=O)NN(C)C)C2 1793541588 CEYNQNFNPAYBEU-BTTYYORXSA-N 402.517 -0.568 50 20 HBGD O=C1Nc2c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@@H](O)CCl)C4)cccc2C1=O 1797538671 JVCMOMUNNYXXPY-DJBIQUGXSA-N 421.837 -0.376 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[C@@H]1C[C@@]1(F)Cl 1801091067 PVOKQZOYZIZRBK-SIAFSPRGSA-N 410.638 -0.506 50 20 HBGD C[C@@H](NC=O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1830327085 PFOHEFPTURWMCT-DNVCBOLYSA-N 415.299 -0.266 50 20 HBGD C[C@@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2)n1cnnn1 1830370258 NMNKBBNEKWIKEP-GUYCJALGSA-N 414.894 -0.045 50 20 HBGD Cn1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Cl)C3)C2)c1=O 1831885278 MHCXZGGZZHTOGF-CXAGYDPISA-N 401.822 -0.010 50 20 HBGD O=C(c1c[nH]c(=O)cn1)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836718218 LASSCXPUMUBDSX-OAHLLOKOSA-N 412.874 -0.018 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]1(C)CCCN1)CCO2 1839124081 CXSDYMQKVMFTFZ-OLMNPRSZSA-N 403.907 -0.161 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCN(C)CC3)C2)C1 1839145969 SBWUAIBTICJYQC-LPHOPBHVSA-N 416.950 -0.292 50 20 HBGD NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839202576 KCDSHUNOHCRIPD-TZMCWYRMSA-N 410.240 -0.601 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccn3)C2)C1 1840152151 ZBTUKRJECRUMKW-PBHICJAKSA-N 400.863 -0.407 50 20 HBGD O=C(CSc1nc[nH]n1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1840380334 VDEOWIXSNPLWOX-BXUZGUMPSA-N 407.855 -0.112 50 20 HBGD COC[C@H](Cl)C(=O)N1CC2(CCCN2C(=O)CS(=O)(=O)N2CCCC2)C1 1843414806 GGRPBXZJISJARP-ZDUSSCGKSA-N 407.920 -0.131 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)CSc1nc[nH]n1)C2 1844265267 MEMYHVSSDNIHOI-UHFFFAOYSA-N 416.467 -0.588 50 20 HBGD Cc1cc(C)cc(OCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 15879132 ITNUSETWYSFMIL-UHFFFAOYSA-N 414.422 -0.723 50 20 HBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCn2cncn2)c1 726710378 WZCVECKXMJOOEB-UHFFFAOYSA-N 409.472 -0.047 50 20 HBGD C[C@H](C(=O)NC1CC1)N1CCN(C(=O)NNC(=O)CNC(=O)c2cccs2)CC1 728951589 MCZGDZXGKAZSPS-GFCCVEGCSA-N 422.511 -0.497 50 20 HBGD C[C@@H](CC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1 729339848 BXVRQLABKJTYAD-JQWIXIFHSA-N 421.472 -0.105 50 20 HBGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)CN1CCC(=O)NC1=O 731956503 LTCYNRYGUXCUDK-UHFFFAOYSA-N 402.455 -0.712 50 20 HBGD C#CCNS(=O)(=O)c1cccc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)c1 732259241 AYZNYWGTFKHTOB-GASCZTMLSA-N 422.507 -0.142 50 20 HBGD NC(=O)CS(=O)(=O)c1ccc(C(=O)NNC(=O)COc2ccccc2F)cc1 742472017 WVRMSCKTJWXHMH-UHFFFAOYSA-N 409.395 -0.075 50 20 HBGD O=C(C[C@H]1CN(Cc2ccccc2)CCO1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 746161766 AVXUSWRVMGGFEF-HOTGVXAUSA-N 410.496 -0.205 50 20 HBGD O=C(NNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)C(=O)N1CCCC1 748240429 GFWQYKOGDLUPDF-AWEZNQCLSA-N 408.480 -0.143 50 20 HBGD Cc1ccc(OCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)c1 765725240 QHNXYXXNJOWKPA-UHFFFAOYSA-N 414.422 -0.723 50 20 HBGD Cn1c(CC(=O)NNC(=O)CNC(=O)CNC(=O)OC(C)(C)C)nc2ccccc21 766756899 OCQKVLRIWRUQLR-UHFFFAOYSA-N 418.454 -0.096 50 20 HBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccc(OC)c(OC)c1 771971101 VLBLKWFHOADXKN-JTQLQIEISA-N 417.440 -0.529 50 20 HBGD C[C@]1(C2CC2)NC(=O)N(CC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1=O 794066238 WQDOKAXQHMEZIH-LJQANCHMSA-N 417.422 -0.219 50 20 HBGD O=C(CN1CCSCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1783496670 NYERZPJFFVQILP-AJNGGQMLSA-N 405.948 -0.385 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)[C@@H]1CCCCO1 1783610824 SFOCXIDXDWFDFQ-WNHJNPCNSA-N 416.283 -0.471 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2 1783880788 GWDCWRHGFLYIDK-WOSRLPQWSA-N 408.904 -0.353 50 20 HBGD CC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CC(=O)NC3=O)[C@H]2C1 1785031745 UKLDMKFVUMMRSX-RVMXOQNASA-N 400.863 -0.465 50 20 HBGD CC[C@@H](NC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788610620 MQKRRDBXJGXXQZ-SJWGOKEGSA-N 418.498 -0.724 50 20 HBGD COCCn1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)n1 1792978274 NTLPIXGACMRXJI-NEBZKDRISA-N 400.863 -0.668 50 20 HBGD COc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)n1 1794531219 YSWBXCOJNKOOHS-HBCWATKFSA-N 419.482 -0.334 50 20 HBGD N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c1 1795735246 RVMUEGNJPPRDOK-JLVBRIDZSA-N 408.223 -0.917 50 20 HBGD CN(C)C(=O)C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1806939216 KOVOZPSMTNBCPT-SJLPKXTDSA-N 424.266 -0.831 50 20 HBGD Cn1cc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cn1 1830723258 MQRRAMSJTWGJCW-YJBOKZPZSA-N 414.890 -0.591 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@H]1F)CCO2 1832131097 WNVSKPOBKOKWFZ-GLJUWKHASA-N 400.451 -0.826 50 20 HBGD O=C(C1=CCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935663 YIYPAOLBDWTVSR-NRFANRHFSA-N 414.267 -0.453 50 20 HBGD CNC(=O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199720 ZXFYRVYNBHPROD-GXTWGEPZSA-N 410.240 -0.731 50 20 HBGD CC(=O)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1839884970 SLFTXJABFAXHOI-GOSISDBHSA-N 415.563 -0.180 50 20 HBGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840039668 CKRWDBRPROOVGN-MLGOLLRUSA-N 417.256 -0.438 50 20 HBGD C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1840161296 KMDKQZQKJHEVPU-SGTLLEGYSA-N 423.495 -0.927 50 20 HBGD CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841351331 RVZGFVCXBUURDC-RYUDHWBXSA-N 405.879 -0.325 50 20 HBGD O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NNC(=O)c1n[nH]c(=O)c2ccccc12 17195825 POEUDZPWIMGJDU-UHFFFAOYSA-N 420.385 -0.222 50 20 HBGD COCCN1C(=O)c2ccc(C(=O)NNC(=O)c3c[nH]nc3C)cc2S1(=O)=O 732084679 WMSPSQDTRLQQCI-UHFFFAOYSA-N 407.408 -0.416 50 20 HBGD COc1ccc(Br)c(C(=O)NNC(=O)NCCN2C(=O)CNC2=O)c1 733657488 IYRDANWZLIDXBP-UHFFFAOYSA-N 414.216 -0.047 50 20 HBGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1C 741653714 OJJPRVVWERPSGK-JTQLQIEISA-N 405.454 -0.539 50 20 HBGD Cc1cccnc1C(=O)NNC(=O)COCC(=O)NNC(=O)c1ncccc1C 752238962 VITRLCYWKGGGIX-UHFFFAOYSA-N 400.395 -0.668 50 20 HBGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NNc1cc(Cl)nc(N)n1 753464074 IWKDOFKDVPMNMN-SSDOTTSWSA-N 402.868 -0.127 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cncnc3)CC2)cc1 760826700 XMAIRMYIAXWRCO-UHFFFAOYSA-N 418.479 -0.447 50 20 HBGD CCN(CC(=O)NNC(=O)c1cccs1)CC(=O)N[C@H]1CCS(=O)(=O)C1 762539006 JAWYKPKUHLMHMA-NSHDSACASA-N 402.498 -0.866 50 20 HBGD CC(C)(C)c1ccc(OCC(=O)NNC(=O)C(=O)Nc2cnn(CC(N)=O)c2)cc1 763599047 AEBQFBZRKRFTGX-UHFFFAOYSA-N 416.438 -0.169 50 20 HBGD C[C@@H](C#N)Oc1ccc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 764818240 SUUNYWOMQJBSAI-LBPRGKRZSA-N 409.406 -0.125 50 20 HBGD Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1C 765062065 SJENLCLAIBKFQF-JTQLQIEISA-N 406.442 -0.109 50 20 HBGD Cc1ccc(S(=O)(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1C 765123329 JCVICPWUUSWFNC-UHFFFAOYSA-N 420.451 -0.940 50 20 HBGD Cc1noc(C)c1S(=O)(=O)NCC(=O)NNC(=O)c1ccc2c(c1)OCCO2 770424612 QVZSEDGSUNIXNY-UHFFFAOYSA-N 410.408 -0.198 50 20 HBGD CN(C)S(=O)(=O)c1cccc(CNC(=O)NNC(=O)CNC(=O)c2ccco2)c1 782758103 DBJBPVAEVRYHKO-UHFFFAOYSA-N 423.451 -0.210 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)C[C@H]2CCCOC2)c1 795281533 ZYSYCSJAVOTYMH-LBPRGKRZSA-N 405.498 -0.072 50 20 HBGD CCOC(C)(OCC)C(=O)NNC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 819727923 MPZBXRSMJIVTLE-HNNXBMFYSA-N 414.503 -0.364 50 20 HBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)ccc1O 917728281 UQIHOTNAWMQAKM-UHFFFAOYSA-N 418.391 -0.222 50 20 HBGD O=C(NNC(=O)N1CCN(C(=O)N2CCCC2)CC1)c1ccc(-n2cnnn2)cc1 918779148 CHOPSMICAUSWGP-UHFFFAOYSA-N 413.442 -0.150 50 20 HBGD CCN1CCOC[C@@H]1C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 1120699181 VTCZNDJOVPQDSF-QGZVFWFLSA-N 411.528 -0.214 50 20 HBGD O=C(C1CCS(=O)(=O)CC1)N1CCN(S(=O)(=O)CBr)CC1 1254755405 VFCOFFZBFPRSNA-UHFFFAOYSA-N 403.320 -0.362 50 20 HBGD O=C(NNC(=O)c1cc(I)c[nH]1)N[C@H]1CCS(=O)(=O)C1 1318863787 YAJQZZOSONXKCM-ZETCQYMHSA-N 412.209 -0.250 50 20 HBGD Cc1nnsc1C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783934179 BRMHMNWVIPCRIU-KRWDZBQOSA-N 410.500 -0.337 50 20 HBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](F)Cl)CCO2)C1 1784369653 GIMXHIRWDXPVJQ-KEYYUXOJSA-N 415.853 -0.179 50 20 HBGD CCS(=O)(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](Cl)COC)C[C@@H]21 1784453356 PGEPZHRAISKBBM-XUXIUFHCSA-N 410.920 -0.345 50 20 HBGD Cc1ccn(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)n1 1791288567 FQEHSPHAYOGQCR-ULQDDVLXSA-N 420.514 -0.456 50 20 HBGD Cc1ccnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)c1 1796534090 AMVYKISVMDMKNU-CCWDJLKJSA-N 403.483 -0.034 50 20 HBGD CN(C)CC(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807371069 PARSCUYNRUEILY-XLIONFOSSA-N 410.283 -0.357 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)[C@H]3CCC(=O)N3)sc2C1 1814410897 WTMYSDIIUJUUIL-ZYHUDNBSSA-N 422.511 -0.293 50 20 HBGD C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830731137 IDUGYXBXGYTEMK-GLJUWKHASA-N 404.891 -0.384 50 20 HBGD Cc1onc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1C 1831971986 WHFUJOKGGZWXCX-DYVFJYSZSA-N 401.847 -0.039 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccc(C)n3)CCO2)C1 1833094081 JDCNCIBXVJIXAU-QAPCUYQASA-N 414.890 -0.098 50 20 HBGD CN[C@@H](CC(=O)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1)C(=O)O 1836716643 HFQJPYGFBSAHSQ-LSDHHAIUSA-N 419.906 -0.353 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)no3)CCO2)C1 1838111467 WVNCMQDKGPJMAA-BDJLRTHQSA-N 403.819 -0.296 50 20 HBGD CCC[C@@H](NC(C)=O)C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1847004397 CKIJQQUMKKIDNC-QGZVFWFLSA-N 401.272 -0.512 50 20 HBGD C[C@H](C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1)N1C(=O)NC2(CCCC2)C1=O 110371690 XYKHIZJWOBTKEB-LLVKDONJSA-N 412.410 -0.324 50 20 HBGD NS(=O)(=O)c1ccc(N2CCN(C(=O)NNC(=O)Cc3cccnc3)CC2)cc1 728957287 QXTKMJUPTHMEFS-UHFFFAOYSA-N 418.479 -0.166 50 20 HBGD CCc1sc(C(=O)NNC(=O)CN2CCC[C@@H](CNS(N)(=O)=O)C2)cc1C 736310199 NAFRIMZQTZVYBR-LBPRGKRZSA-N 417.557 -0.115 50 20 HBGD C[C@@H](C(=O)NNC(=O)C(=O)NC1CC1)N1C(=O)c2ccc(Br)cc2C1=O 744463407 CIJKTRPPNRNGHG-ZETCQYMHSA-N 423.223 -0.140 50 20 HBGD Cc1nc(S(=O)(=O)NCC(=O)NNC(=O)[C@H](C)Oc2ccccc2F)cn1C 750663442 NZVVSUMPLQKKTB-JTQLQIEISA-N 413.431 -0.239 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 758042761 AROXVTQOYTVISW-JSGCOSHPSA-N 412.468 -0.127 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(SC(F)F)nc1 764230737 KNTSDZTVTIMWKT-ZCFIWIBFSA-N 411.412 -0.580 50 20 HBGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 765319574 GRSLIVDXXYWKDO-FIXIBIHLSA-N 424.454 -0.399 50 20 HBGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 765319575 GRSLIVDXXYWKDO-FKGLVLAHSA-N 424.454 -0.399 50 20 HBGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)[C@@H](C)N3CCN(C)CC3)CC2)cc1 766648331 JIILJKVLVVXTOC-LJQANCHMSA-N 416.570 -0.104 50 20 HBGD CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)C2=O 768925315 LWWUCHRZFHMYLM-GTNSWQLSSA-N 414.484 -0.541 50 20 HBGD CN1CCN(C(=O)NNC(=O)CCCN(C)C2=NS(=O)(=O)c3ccccc32)CC1 807380273 SLXUVCOINGGBDC-UHFFFAOYSA-N 422.511 -0.164 50 20 HBGD COC[C@@]1(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)CCN(C(=O)OC(C)(C)C)C1 809972168 DMYRHRTWXOXUAU-SJKOYZFVSA-N 419.500 -0.158 50 20 HBGD COc1ccc(NCC(=O)NNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1 825542030 GJZHZYQLEYHSCO-UHFFFAOYSA-N 405.436 -0.248 50 20 HBGD C[C@H](C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 920744868 GDAGEVZIWMLJIN-KKOKHZNYSA-N 400.457 -0.932 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(CN(C(=O)CCc3cncnc3)CCO2)C1 1783933780 GRPVSCFQWVYECO-HXUWFJFHSA-N 418.498 -0.388 50 20 HBGD O=C1COc2ccc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@@H](O)CCl)C4)cc2N1 1797449298 KMBVCIBHDSOXLY-IFOZYUSPSA-N 423.853 -0.180 50 20 HBGD O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1797810234 MIFGLJIWWUWCEE-MCTJTXKHSA-N 403.863 -0.295 50 20 HBGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2)n1cnnn1 1801440311 ZYRZZHKEKPYSEU-NZFPMDFQSA-N 405.228 -0.486 50 20 HBGD C[C@@H](O)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819801160 ZMVBOTCSFXMEBH-RKDXNWHRSA-N 404.452 -0.252 50 20 HBGD Cc1nnc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)s1 1830722610 GBSICMCVNDWKJM-WBMJQRKESA-N 418.903 -0.555 50 20 HBGD Cc1nn(C)c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1F 1830725332 NZMYLDXJVOWNNB-YVEFUNNKSA-N 418.853 -0.463 50 20 HBGD CC(C)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)C1 1835114450 HGLMKSDYNLCAGS-UGSOOPFHSA-N 401.891 -0.014 50 20 HBGD NC(=O)[C@H](N)CCC(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836716902 WYYLZGQFZUCFEY-CABCVRRESA-N 418.922 -0.823 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(N)=O)C2)C1 1839156545 SSRJVPTWJOCRKZ-HUUCEWRRSA-N 411.286 -0.653 50 20 HBGD C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](Cl)COC)CCO2)C1 1840153644 WBKAEGBVPDISNF-QWQRMKEZSA-N 417.890 -0.613 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@H]3F)C2)C1 1840184844 GPNXABCRSBEDLW-SUNYJGFJSA-N 400.451 -0.826 50 20 HBGD CS(=O)(=O)N1CCC(C(=O)N2CCCC23CN(C(=O)[C@H](O)CCl)C3)CC1 1843836981 MHKKLIPNNDFVRL-CYBMUJFWSA-N 407.920 -0.539 50 20 HBGD COC(=O)C12CC(C(=O)N3CCCC34CN(C(=O)c3cccc(B(O)O)c3)C4)(C1)C2 1846113964 KDFHEVOVZVLCAE-UHFFFAOYSA-N 412.251 -0.473 50 20 HBGD Cn1c(=O)c2c(ncn2CCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)n(C)c1=O 17395321 QGQFTJLHQBXVHN-UHFFFAOYSA-N 415.366 -0.807 50 20 HBGD CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)CN(C)C 733361268 XAEXBYPRZQNGAA-LBPRGKRZSA-N 406.505 -0.065 50 20 HBGD O=C(CCN1CCN(c2ccccn2)CC1)NNC(=O)CNC(=O)c1ccco1 746197293 PIBDSDQYURNCGU-UHFFFAOYSA-N 400.439 -0.236 50 20 HBGD CS(=O)(=O)N1CCC(CNC(=O)NNC(=O)Cc2cn3ccccc3n2)CC1 746761294 KNEBDZWGLLSHRU-UHFFFAOYSA-N 408.484 -0.121 50 20 HBGD CCCn1nc(C(=O)NNC(=O)CN2C(=O)CN(C)C2=O)c2ccccc2c1=O 747473172 WOBQRZPHASIBQE-UHFFFAOYSA-N 400.395 -0.539 50 20 HBGD Cc1cccc(OCC(=O)NNC(=O)NCCNS(=O)(=O)Cc2ccon2)c1 750265250 AUHJMIMLLPZUDS-UHFFFAOYSA-N 411.440 -0.188 50 20 HBGD CCN1C(=O)[C@@H]2CN(CC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)CCN2C1=O 752339245 VDQWQEPLRGSJMU-ZDUSSCGKSA-N 404.383 -0.676 50 20 HBGD Cc1cc(C)n(CC(=O)NNC(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)n1 756101594 ZCOMFOAOYPSOKJ-DARAHFNDSA-N 400.439 -0.363 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H](c1ccccc1)N1CCSCC1 758038398 DRHXQVDRHHJJJL-TZMCWYRMSA-N 400.526 -0.138 50 20 HBGD Cc1ccnn1-c1ccccc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 764226224 GJUCLEGNEBCNLL-NSHDSACASA-N 408.440 -0.796 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccccc1Br 764231020 LNDWWEITPFIECT-ZETCQYMHSA-N 407.246 -0.527 50 20 HBGD CCN1CCN(c2ccc(NC(=O)C(=O)NNC(=O)[C@@H]3COCCO3)c(C)c2)CC1 764425743 SAKASWBUZPTMIM-KRWDZBQOSA-N 419.482 -0.362 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F 783828572 OWLRFGDZYRUKPF-VKHMYHEASA-N 411.330 -0.371 50 20 HBGD CC(C)NC(=O)NC1(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)CCCCC1 792086638 WTWONRMKFUQDBW-LBPRGKRZSA-N 403.505 -0.086 50 20 HBGD Cc1ccc(-c2ccnn2C)cc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 799259416 WDDAQSNRUAPONH-LLVKDONJSA-N 422.467 -0.581 50 20 HBGD CN(C[C@H]1CCCN(C(=O)NNC(=O)CNC(=O)c2ccco2)C1)S(C)(=O)=O 805044264 LBHLLNSSSQRFJC-GFCCVEGCSA-N 415.472 -0.646 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)COCc2nncn2C)cc1 814723850 MRGKDZHMLFQGLF-UHFFFAOYSA-N 410.456 -0.892 50 20 HBGD COc1ccc(NCC(=O)NNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1 914831579 CFXWOQSIFJVLTR-TZMCWYRMSA-N 424.479 -0.710 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)Cc3cccnc3)CCO2)C1 1779031204 NMTAAVGQLYPJRL-NRFANRHFSA-N 424.461 -0.234 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 1783585164 CACBTXVBYIMUAI-WIRSXHRWSA-N 414.267 -0.623 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1 1783877374 IJQUORNUFUWPJM-BZNIZROVSA-N 400.867 -0.597 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)COc3ccc(O)nn3)CCO2)C1 1783882619 PZHFAJXMAXVOEK-PXAZEXFGSA-N 414.846 -0.355 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1784117525 MGTBGKGYSPYNBG-GOSISDBHSA-N 409.515 -0.407 50 20 HBGD O=C(/C=C/c1cnccn1)N1CC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1784619427 ISXUVEIOSDUHFH-FNEOHHHZSA-N 422.250 -0.687 50 20 HBGD CC(C)N(C)CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1784772142 ZURXPJQJZJJVCX-FQEVSTJZSA-N 403.288 -0.850 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CCOCC3)[C@H]2C1 1786612638 KCTLEFSXLFQCJB-ULQDDVLXSA-N 410.515 -0.234 50 20 HBGD CCN(C)[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791293793 JQBPXKJFHPZIPP-QZWWFDLISA-N 411.547 -0.321 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)CCl)c1cc2n(n1)CCCNC2=O 1793111650 UJXOSRSTSXXLMU-NWJSVONSSA-N 409.874 -0.132 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cn[nH]c1 1794067635 CPXMGSYQRZIFFD-CCWDJLKJSA-N 406.487 -0.695 50 20 HBGD CCc1ccnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c1 1796041314 MJROITXZKBLHBK-XEMDLRDOSA-N 423.278 -0.159 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)c1ccc2nc(CO)[nH]c2c1 1796868865 IGRMUPHWAONAJX-DJZPMSPPSA-N 422.869 -0.142 50 20 HBGD CC[S@@](=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1798288581 YUEUYNUKSKEJBB-MOOZGVFRSA-N 406.313 -0.223 50 20 HBGD CC(=O)NCC(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1812624694 OMGBIIYOMAFTIP-UZLBHIALSA-N 418.498 -0.404 50 20 HBGD CC(=O)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)n[nH]1 1833820532 FRRNFKFCENVHSP-PBHICJAKSA-N 414.846 -0.718 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(N)=O)C2)C1 1840035081 FSZOUVWWBPBISX-NHYWBVRUSA-N 406.277 -0.508 50 20 HBGD CCCC(=O)N[C@H](C)C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011595 UIERMFFFSOXFTG-CQSZACIVSA-N 401.272 -0.512 50 20 HBGD O=C(CCOc1ccccc1)NNC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 60997160 MYRHQXVOGZTTPY-UHFFFAOYSA-N 403.439 -0.381 50 20 HBGD O=C(NNC(=O)[C@H]1CCCN1C(=O)OCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 727786420 PNWCBFIAEFAGHG-DTWKUNHWSA-N 401.363 -0.268 50 20 HBGD Cc1nc(S(=O)(=O)NCCC(=O)NNc2nc(-c3cccnc3)no2)cn1C 728075206 VBWLKCKIYYJYFH-UHFFFAOYSA-N 406.428 -0.015 50 20 HBGD C[C@H]1CN(CCC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccccc2)C[C@H](C)O1 732263182 LHEGDPAESORODU-GJZGRUSLSA-N 412.512 -0.046 50 20 HBGD COCCN1C(=O)/C(=C/NNC(=O)c2cnn(-c3ccccc3)c2)C(=O)NC1=S 733369219 FEMZHPXFMBRSFY-GXDHUFHOSA-N 414.447 -0.120 50 20 HBGD Cc1cccc(C(=O)NNC(=O)Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)c1 742447355 HCGXEBOSOABFMQ-UHFFFAOYSA-N 404.814 -0.143 50 20 HBGD COC(=O)c1ccsc1N1CC[C@H](NC(=O)NNC(=O)C(=O)N2CCCC2)C1=O 746781170 QSYZWQMUWQBPDH-NSHDSACASA-N 423.451 -0.407 50 20 HBGD CC(C)NC(=O)C(=O)N1CCN(C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)CC1 748334770 QGZUXRDEFQBQGQ-HNNXBMFYSA-N 403.439 -0.600 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 755593496 LPBMNSSGAJZAMV-SNVBAGLBSA-N 419.485 -0.683 50 20 HBGD CCN(CC)c1ccnc(NNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)n1 762902164 MTYUPYVPSUPUFH-QWHCGFSZSA-N 410.500 -0.199 50 20 HBGD Cc1ccccc1CC(=O)NNC(=O)CN1CCN(C(=O)[C@H]2CCCN2C)CC1 767037932 GLCPKYMPKGFIQE-GOSISDBHSA-N 401.511 -0.077 50 20 HBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1c(C)nn(C)c1C 772161476 XTIASOSNHOVPDZ-GXSJLCMTSA-N 403.461 -0.807 50 20 HBGD CN(C)S(=O)(=O)c1cc(C(=O)NNC(=O)COc2ccc(C#N)cc2)n(C)c1 778524656 ONRLHSXBMQUNAS-UHFFFAOYSA-N 405.436 -0.013 50 20 HBGD Cn1ncc2c(O)nc(NNC(=O)[C@H]3CC=CC[C@H]3C(=O)N3CCOCC3)nc21 784411119 RQYNRQTWKNUUDI-NWDGAFQWSA-N 401.427 -0.047 50 20 HBGD Cc1c(Cl)cc(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1C(=O)O 794868522 YBPGPLOWTHXUPE-SSDOTTSWSA-N 413.861 -0.406 50 20 HBGD CS(=O)(=O)NC1CC(NC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)C1 801013390 UFWCQGGUUOMPIC-UHFFFAOYSA-N 411.488 -0.896 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NNc3nc[nH]n3)CC2)cc1 816633615 HWAXGCIQAYJZLQ-UHFFFAOYSA-N 421.483 -0.130 50 20 HBGD Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(=NNC(=O)[C@@H]2CCS(=O)(=O)C2)CC1 914555707 XFZBGEWONMZVSI-GFCCVEGCSA-N 417.513 -0.282 50 20 HBGD C[C@](O)(CC(=O)O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784094710 PCYHTRLXGQZBQD-VIMZNKNYSA-N 406.863 -0.818 50 20 HBGD Cc1ocnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1789033212 MRCHNURPOUKISD-KKUMJFAQSA-N 407.471 -0.051 50 20 HBGD C[C@@](Cl)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@H](N)C(N)=O)C[C@@H]21 1789866398 QPAYARQDXHLIAA-VIMZNKNYSA-N 423.341 -0.205 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnnc3)C[C@@H]21 1791288565 FOUNXUKXGQXHPQ-JYJNAYRXSA-N 404.471 -0.557 50 20 HBGD CC1=C(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)CCO1 1795947030 QZOPFNCERIJIGV-JLVBRIDZSA-N 400.240 -0.736 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[C@@H]1C[C@]1(F)Cl 1801091065 PVOKQZOYZIZRBK-ORABNUQBSA-N 410.638 -0.506 50 20 HBGD CS(=O)(=O)CC(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1 1806763372 COBVPGGESPUCOZ-KCQAQPDRSA-N 403.888 -0.268 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2C[C@H](O)CN2)n[nH]1 1820753970 RMYWUDYILCEYCR-AEGPPILISA-N 421.502 -0.502 50 20 HBGD O=C([C@H](O)CCl)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@@H]4C=CS[C@@H]34)C2)C1 1830735777 MXWUEKVHUIHKQH-BAHXQUAYSA-N 402.900 -0.082 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1=CCCC1)CCO2 1834686822 BFPHBGXKLSOYMF-FQEVSTJZSA-N 408.499 -0.074 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@H]1F)CCO2 1839097645 XMVBRBCUAYRANY-OHNRDTAOSA-N 421.429 -0.887 50 20 HBGD CCNC(=S)NCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1839654332 LKPUFMHKIOJFAV-SWLSCSKDSA-N 410.899 -0.539 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1 1840263848 UNWDGBVHFOWUIK-ACJLOTCBSA-N 413.858 -0.615 50 20 HBGD COc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)NNC(=O)c1ccccc1 10453370 HNTYXKRAEMXFCY-UHFFFAOYSA-N 407.404 -0.039 50 20 HBGD O=C(CN1CCS(=O)(=O)CC1)NNc1ccc(S(=O)(=O)NC2CC2)cc1 728210089 RDIIHBAPIDAJMQ-UHFFFAOYSA-N 402.498 -0.699 50 20 HBGD CC1=CC(NC(=O)c2ccco2)=S=C1C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 729275260 MUQXANUDFSECJR-VIFPVBQESA-N 414.465 -0.910 50 20 HBGD O=C(CNS(=O)(=O)c1ccc(Cl)cc1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 732308002 QEAHTCIIGZFQHM-SECBINFHSA-N 409.873 -0.800 50 20 HBGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)CN1CCC(=O)NC1=O 733561746 KWDMGFBWNFCKMO-UHFFFAOYSA-N 412.786 -0.405 50 20 HBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)C(C)(C)NS(C)(=O)=O 742036347 JOCJKTYYFBMUJK-UHFFFAOYSA-N 405.502 -0.623 50 20 HBGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 746385673 IRMMYNWCTNSORS-HUUCEWRRSA-N 422.457 -0.079 50 20 HBGD CS(=O)(=O)N1CCC(CNC(=O)NNC(=O)[C@H]2COc3ccccc3O2)CC1 748827059 CQUNMKFQSPTGAO-OAHLLOKOSA-N 412.468 -0.172 50 20 HBGD O=C(CCOc1ccccc1)NNC(=O)NCCNS(=O)(=O)Cc1ccon1 750274883 HPVZBEAAULYRCX-UHFFFAOYSA-N 411.440 -0.107 50 20 HBGD Cc1nnnn1-c1cc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)ccc1F 756335128 CGNWTTNUMZYAPT-SSDOTTSWSA-N 400.396 -0.800 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCCN1c1ncnc2sccc12 758037017 XQZMXMHHNMZULN-MWLCHTKSSA-N 412.497 -0.255 50 20 HBGD Cc1cc(N2C[C@@H](C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)CC2=O)ccc1F 758043326 GVLKPWSOZMQQEJ-MNOVXSKESA-N 400.432 -0.428 50 20 HBGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1 763663721 YJAKLRXZORNCOI-UHFFFAOYSA-N 422.419 -0.341 50 20 HBGD COc1ncc(NC(=O)C(=O)NNC(=O)COc2ccc(C)cc2)cc1C(N)=O 763811294 IHKKOWVIZWPWBK-UHFFFAOYSA-N 401.379 -0.338 50 20 HBGD COC(=O)c1ccc(OC(C)C)c(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)c1 764427393 ZINXIYKSAPBRHR-AWEZNQCLSA-N 409.395 -0.238 50 20 HBGD O=C(CCC(=O)N1CCN(c2ccccc2)CC1)NNC(=O)C(=O)N1CCCC1 765347611 DOFNEBDDTNXKND-UHFFFAOYSA-N 401.467 -0.115 50 20 HBGD CCc1c(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)nnn1Cc1ccc(F)cc1 787886897 SXCICQPIKWGWCK-JTQLQIEISA-N 412.447 -0.273 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CNC(=O)c2ccncc2)c1 914829940 IMTKIHJBWCDVJD-UHFFFAOYSA-N 405.436 -0.477 50 20 HBGD CCCCn1nc(C(=O)NNC(=O)NCCNS(C)(=O)=O)c2ccccc2c1=O 916294740 GIDCAAGIXDUMOM-UHFFFAOYSA-N 424.483 -0.310 50 20 HBGD CC(=O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779028923 KZOMFWDJROIHAJ-FQEVSTJZSA-N 417.466 -0.256 50 20 HBGD C[C@@H](CBr)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1781042385 WYJHMXLGCMFWGG-QCQGSNGOSA-N 404.305 -0.430 50 20 HBGD C[C@](O)(CC(=O)O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784094561 PCYHTRLXGQZBQD-QHRNJGFCSA-N 406.863 -0.818 50 20 HBGD Cn1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)n1 1786984680 XZWFRTTVMILVPT-ZVZYQTTQSA-N 412.255 -0.993 50 20 HBGD C=CC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](Cl)COC)C[C@@H]21 1788757132 KTLBIIXPIZISKL-FQKPHLNHSA-N 401.891 -0.089 50 20 HBGD COC(=O)CSCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1793589902 DJJGDCWRNDXBEJ-MUJYYYPQSA-N 420.296 -0.476 50 20 HBGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(C)(=O)=O 1795361675 YVEMEOXAINAUHS-NOHGZBONSA-N 411.318 -0.206 50 20 HBGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)n1cccn1 1801383343 DUSGVIBZCKJDTQ-NYCLONFESA-N 412.255 -0.973 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@H]1CCOC1 1801582345 MWXWIGSXRXGVLP-MFCZKXCZSA-N 410.515 -0.234 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)C(=O)N(C)C)[C@@H]1c1cccnc1 1813071419 PWTNXPLBCPCOAM-CRAIPNDOSA-N 418.498 -0.451 50 20 HBGD C[C@H](NC=O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1820874316 BFNWHIDHHMFJPQ-BLLLJJGKSA-N 413.243 -0.470 50 20 HBGD NC(=O)c1nccnc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](O)CCl)CC2 1821033572 XUSPPGOLMCCHHN-IONNQARKSA-N 424.870 -0.143 50 20 HBGD Cn1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1=O 1830727043 ZTFSZRFFBSZATE-KBXCAEBGSA-N 413.858 -0.945 50 20 HBGD O=C(CN1CCOCC1)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1834619409 PLIRSKLBTAOLCE-KRWDZBQOSA-N 416.950 -0.510 50 20 HBGD NC(=O)CC[C@H](N)C(=O)NC1CCN(C2CCN(C(=O)[C@H](F)Cl)CC2)CC1 1834673446 UXXVKKVZDDBTAL-ZFWWWQNUSA-N 405.902 -0.315 50 20 HBGD O=C1CCCN1CC(=O)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1835414075 TTXVIKOJIDOKIK-MRXNPFEDSA-N 408.282 -0.131 50 20 HBGD C[C@@H]1C[C@]1(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839086820 IDTGFNZBAOFKKW-NQERJWCQSA-N 416.283 -0.518 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)OC)C2)C1 1840155467 DAMMRGCEXCEZIN-BLLLJJGKSA-N 407.851 -0.947 50 20 HBGD O=C([C@H](O)CCl)N1CC2(CCCN2C(=O)Cc2cn3c(nc2=O)SCC3)C1 1845021329 GEJGESVRZOTDRH-GFCCVEGCSA-N 412.899 -0.305 50 20 HBGD Cn1nc(C(=O)NNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c2ccccc2c1=O 729617773 GXURVBLVWKJXHB-OLZOCXBDSA-N 400.439 -0.259 50 20 HBGD C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)NN[C@]1(C)CCS(=O)(=O)C1 735586128 KZOBPORVTRNRJY-MAUKXSAKSA-N 410.544 -0.027 50 20 HBGD CN(C)c1nccc(NNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)n1 740105086 WRTJVLSVMXZQAQ-UHFFFAOYSA-N 419.467 -0.580 50 20 HBGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1ccc([S@@](C)=O)cc1 746369123 NAXZJNDWGOAEID-HHHXNRCGSA-N 409.493 -0.151 50 20 HBGD COCCO[C@@H](C)C(=O)NNC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 748623805 YFVPVHIOBOLXLY-ZDUSSCGKSA-N 421.454 -0.860 50 20 HBGD COc1cccc(-c2nsc(NC(=O)C(=O)NNC(=O)[C@@H]3COCCO3)n2)c1 764431356 BSJGUMQREZAQBK-NSHDSACASA-N 407.408 -0.285 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NN=C2CCOc3ccc(F)cc32)n(C)c1=O 764812737 QILXBZQATYZMSA-UHFFFAOYSA-N 400.370 -0.124 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cnc3ccsc3c2)n(C)c1=O 765732767 SLNRHNXWRUXPHQ-UHFFFAOYSA-N 413.419 -0.495 50 20 HBGD CC(C)(C)OC(=O)N1CCC[C@@H](OCC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)C1 767817860 HCACYYDGONHLPI-QWHCGFSZSA-N 419.500 -0.015 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Cc2cc(F)c(F)cc2F)n(C)c1=O 768290512 IJSRYWBYFSCADV-UHFFFAOYSA-N 424.339 -0.759 50 20 HBGD CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772897079 FLBQTDXHWAAJEL-AWEZNQCLSA-N 423.857 -0.769 50 20 HBGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1ccccc1-n1cncn1 784004303 FGSKKBPWMADTHZ-UHFFFAOYSA-N 413.419 -0.155 50 20 HBGD COCCCNC(=O)[C@@H](C)N1CCN(C(=O)NNC(=O)c2cccc(C)n2)CC1 793220822 RFZVDRAFALGLOG-OAHLLOKOSA-N 406.487 -0.097 50 20 HBGD O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NNC(=O)[C@@H]1CCc2nncn2C1 816885207 TWZPYEDEMLWAPM-LLVKDONJSA-N 417.451 -0.883 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 920977778 MHZKZUMUUXXWKA-UHFFFAOYSA-N 423.451 -0.829 50 20 HBGD CON(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 1115816910 NHRYWULYRAULEO-LLVKDONJSA-N 405.454 -0.936 50 20 HBGD CON(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 1115816911 NHRYWULYRAULEO-NSHDSACASA-N 405.454 -0.936 50 20 HBGD COc1ccccc1OCC(=O)NNC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 1339965995 YCWPQPFAQJSUPT-INIZCTEOSA-N 406.420 -0.049 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3nccs3)CCO2)C1 1779030908 KBODTFQRYKFSJN-SFHVURJKSA-N 416.463 -0.101 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779396214 WZVRKLQIPUBTBY-KRWDZBQOSA-N 423.430 -0.866 50 20 HBGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)CN(CCO)CCO)C2)C1 1783257104 VQQNSUSCFXLHFI-CRAIPNDOSA-N 405.923 -0.490 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3nccnc3C(N)=O)CCO2)C1 1783880322 AUNVZTDDMBZAIE-PIGZYNQJSA-N 411.846 -0.727 50 20 HBGD C[C@H](Nc1cnccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784092147 IAAXFXNYPNQSCZ-LXFSFDBISA-N 411.890 -0.144 50 20 HBGD C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)CCBr)CCO2)C1)n1cnnn1 1784596128 YKMZAQUYALHKLG-FZMZJTMJSA-N 401.265 -0.151 50 20 HBGD CC(C)[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1793381557 XOZNYHIYAVPIDF-YALNPMBYSA-N 406.313 -0.476 50 20 HBGD CCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)cn1 1794595192 JNFTYPKFSBKANI-XEMDLRDOSA-N 423.278 -0.159 50 20 HBGD Cc1nc(C)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)o1 1795740332 ULPZATWIOUMQQV-SCAQPMJSSA-N 413.239 -0.512 50 20 HBGD Cn1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)c1=O 1796187980 QOFYTKSGQCFCCM-BJWYYQGGSA-N 409.251 -0.369 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1)c1ccc(B(O)O)cc1 1796600410 GGGBSPAPKXJPJC-MUJYYYPQSA-N 411.223 -0.262 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)N1CCOCC1 1797803333 INMIAKVJHLFQTN-OOKGIHQLSA-N 424.325 -0.537 50 20 HBGD O=C(CN1C(=O)CNC1=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Br 1800157417 NWMDRLURHRLBTI-JXVAYASWSA-N 405.224 -0.133 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cnccn1)C2 1801012069 AIVYHPMXAYCDAB-YVWYUNDQSA-N 418.498 -0.628 50 20 HBGD N=C(N)NCC(=O)N1CCCC2(CCN(C(=O)c3cnccc3C(=O)NN)CC2)C1 1809687613 HRFGCMAQNOEOJJ-UHFFFAOYSA-N 416.486 -0.987 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)[C@@H]2C=CCN2)[C@H]1c1cccnc1 1813071606 USIRUHPJKIKRMN-UWVAXJGDSA-N 414.510 -0.012 50 20 HBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2nc[nH]n2)[nH]n1)c1ccc(B(O)O)cc1 1817471532 RGFKAHPNRBUZKB-AWEZNQCLSA-N 409.215 -0.173 50 20 HBGD Cc1noc(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1834062374 IPDDJGZDCSHBCK-SUMWQHHRSA-N 401.847 -0.039 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)C3(F)CC3)C2)C1 1837460099 UPHXRTCMTODNPF-GOSISDBHSA-N 421.429 -0.743 50 20 HBGD COC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1840320168 DTQMIALPAFQGDF-KRWDZBQOSA-N 417.535 -0.350 50 20 HBGD C[C@@H](C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1)n1ccccc1=O 1843011529 MLJRCUKQLFEFFD-HNNXBMFYSA-N 409.251 -0.394 50 20 HBGD NS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 18994896 PUVCVTRLZKKOEP-AWEZNQCLSA-N 413.433 -0.517 50 20 HBGD CS(=O)(=O)N1CCN(CCNC(=O)NNC(=O)CCOc2ccccc2)CC1 60996072 GEPMXXTWRXTTBT-UHFFFAOYSA-N 413.500 -0.637 50 20 HBGD CS(=O)(=O)N1CCN(CCNC(=O)NNC(=O)c2cccc3ncccc23)CC1 730124824 DSLQUYCXSBNIGN-UHFFFAOYSA-N 420.495 -0.244 50 20 HBGD Cc1ccc(C(=O)NNC(=O)COC(=O)CCn2cc(S(N)(=O)=O)cn2)cc1 749327456 FTJLFMUNTLJLLB-UHFFFAOYSA-N 409.424 -0.767 50 20 HBGD COC(=O)c1cc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c(OC)c(OC)c1 756741098 CABFMOSVRLSTGE-QMMMGPOBSA-N 418.428 -0.419 50 20 HBGD Cc1cc(N2C[C@H](C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)CC2=O)ccc1F 758043325 GVLKPWSOZMQQEJ-GHMZBOCLSA-N 400.432 -0.428 50 20 HBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc(Br)c1 764003131 YZPZXPOKTGKFAE-QMMMGPOBSA-N 404.242 -0.030 50 20 HBGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccnc(OCC(F)(F)C(F)F)c1 764431972 HHGXUADCBZFDQB-VIFPVBQESA-N 424.307 -0.138 50 20 HBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)n[nH]1 768277270 CTSDKKWQRAXCIC-GFCCVEGCSA-N 409.472 -0.080 50 20 HBGD CCC(=O)N1CC[C@@H](C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)C1 773219908 AHSBHAUPMUHKHP-DOMZBBRYSA-N 405.407 -0.225 50 20 HBGD Cn1nnc2c(C(=O)NNC(=O)c3ccc(Cl)c(S(N)(=O)=O)c3)ccnc21 801104339 JSCNILWLVIMICY-UHFFFAOYSA-N 409.815 -0.261 50 20 HBGD C[C@@H]1CCCC[C@H]1NC(=S)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 913498161 PZBDWKCBWUVPTF-GHMZBOCLSA-N 407.500 -0.492 50 20 HBGD C#CCNC(=O)NNC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 915908207 LASIUEQZIBGNEF-AWEZNQCLSA-N 424.479 -0.084 50 20 HBGD COCCS(=O)(=O)c1ccc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 1325094948 ZTHWAPLKQPWEHM-LBPRGKRZSA-N 404.466 -0.698 50 20 HBGD CC(C)(CCl)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1779085939 YDUXGDAGPIGUFL-KDOFPFPSSA-N 403.907 -0.268 50 20 HBGD Cc1cc(C(=O)NCC(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)no1 1779121037 WSOUFBZZMNXLNQ-GUYCJALGSA-N 414.846 -0.858 50 20 HBGD O=C([C@H](O)CCl)N1CCO[C@]2(CCN(C(=O)[C@@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1781050605 JRBSBXFHUUOCPE-GJRWTSMGSA-N 413.902 -0.183 50 20 HBGD CN(CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2)C(=O)C(=O)O 1782749525 HQAKYRFHZNUEPO-IINYFYTJSA-N 424.223 -0.950 50 20 HBGD CCNC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784092115 HHAPQUFCPQASNH-YHQUGGNUSA-N 404.895 -0.727 50 20 HBGD Cc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)o1 1784662141 PCQIUCVCRHJYDC-OAQYLSRUSA-N 412.251 -0.046 50 20 HBGD O=C(NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl)c1cccs1 1792975654 SXRSNTOWVSNRDC-OXIQGZBJSA-N 415.899 -0.333 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Cl)C2)c1n[nH]c2c1CS(=O)(=O)C2 1795929524 DGFLHOSEHMNSIC-XXEYQXHCSA-N 420.850 -0.424 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1)c1cccc(B(O)O)c1 1796600570 OQZURUSMEYWQSV-MUJYYYPQSA-N 411.223 -0.262 50 20 HBGD Cn1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1=O 1830727048 ZTFSZRFFBSZATE-RDTXWAMCSA-N 413.858 -0.945 50 20 HBGD O=C(c1cnn2ccncc12)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830728074 OOZXTXCTHYOFRB-CRAIPNDOSA-N 423.857 -0.601 50 20 HBGD Cc1cnn([C@H](C)C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H](O)CCl)CCO3)C2)c1 1830738606 QODBFTBXCCAWFF-RVKKMQEKSA-N 414.890 -0.191 50 20 HBGD CNC(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1831269617 FDLZDUOIPFKROH-OAHLLOKOSA-N 406.277 -0.636 50 20 HBGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)no1 1834351335 QGSIYACGYXNMPC-IBGZPJMESA-N 423.470 -0.574 50 20 HBGD CC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1839858230 PNRKEDUWAUURMR-HNNXBMFYSA-N 406.277 -0.636 50 20 HBGD O=C(Cc1ccc(O)cn1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840494891 YCQKHZNXSUFPPH-CRAIPNDOSA-N 413.858 -0.614 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1nc3ccccn3n1)C2 1844264131 IKUXNEIVUJLNQZ-UHFFFAOYSA-N 420.433 -0.141 50 20 HBGD CCN(CC)C(=O)c1ccc(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1 728510972 ZNZUIXOUKWAZKP-NSHDSACASA-N 420.513 -0.584 50 20 HBGD CCOc1cc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c([N+](=O)[O-])cc1OC 729275865 SGYRUPFBRKYWRH-MRVPVSSYSA-N 404.401 -0.299 50 20 HBGD CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NNC(=O)C(=O)N2CCCC2)cc1 748343202 LIAFIHYDZKHMSJ-UHFFFAOYSA-N 410.452 -0.673 50 20 HBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 765638422 MLJSVNPFAUVKAM-LLVKDONJSA-N 409.468 -0.323 50 20 HBGD C[C@@H]1CCCC[C@H]1OCC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 766646216 XWGARHXEWZPPFY-VXGBXAGGSA-N 406.443 -0.824 50 20 HBGD COC(=O)c1c(OC)ccc(S(=O)(=O)NNC(=O)C(=O)NC(C)C)c1OC 771588265 BULNMVXNCZWIHN-UHFFFAOYSA-N 403.413 -0.676 50 20 HBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CN1C(=O)N[C@@](C)(c2ccccc2OC)C1=O 772208852 XZRQXNUZHDFNFC-WLRWDXFRSA-N 420.422 -0.049 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)COCc2ccnn2C)cc1 785686662 LYOSKICFUPQBRX-UHFFFAOYSA-N 409.468 -0.287 50 20 HBGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c(C)cc1C 788334610 YAOMKAVHOIQVBQ-SNVBAGLBSA-N 414.440 -0.886 50 20 HBGD COc1ccccc1CC(=O)NNC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 792797684 IXJIZFFVNBVIIB-UHFFFAOYSA-N 410.408 -0.945 50 20 HBGD CO[C@H](C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1)c1cnn(C)c1 798980746 ZLKWQVGMUGGJRX-SFHVURJKSA-N 414.466 -0.287 50 20 HBGD O=C(NNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)c1ccc(Cl)cc1O 918358972 FXNXUGXTWVSJLI-KOLCDFICSA-N 415.855 -0.158 50 20 HBGD O=C(NC[C@H]1CCCS1(=O)=O)NNC(=O)c1csc(N2CCOCC2)n1 1117786373 QYGKNHZSSOKTDC-SNVBAGLBSA-N 403.486 -0.499 50 20 HBGD Cn1cc(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cn1 1317984011 QSAPMSIRGTUOLK-UHFFFAOYSA-N 422.467 -0.415 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2C=CCN2)C1 1777974973 DIIIJMWVFARPGX-RZQQEMMASA-N 407.515 -0.599 50 20 HBGD Cc1cc(C(=O)NCC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)no1 1779121038 WSOUFBZZMNXLNQ-SUMWQHHRSA-N 414.846 -0.858 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3cccnc3C(N)=O)CCO2)C1 1783874145 ZDXYLXHZASIITG-UGSOOPFHSA-N 410.858 -0.122 50 20 HBGD CCC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(CCO)CCO)C2 1793453168 SSVGSFYOBTWXLO-IVSAIRAKSA-N 405.923 -0.730 50 20 HBGD O=C(C[C@@H]1NC(=O)NC1=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](O)CCl)[nH]n1 1815765495 LNPFKDSIFNJCPP-DCAQKATOSA-N 412.834 -0.400 50 20 HBGD Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cn1 1833126737 PHHIANOFZJJUIE-APWZRJJASA-N 411.886 -0.011 50 20 HBGD CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1835675111 JOIYTBWUJABEIF-KSSFIOAISA-N 416.906 -0.676 50 20 HBGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnnn3C)C2)C1 1840031525 SSNFPWUWLNWAEL-ABAIWWIYSA-N 416.276 -0.332 50 20 HBGD O=C(NCC(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2)c1cccnc1 1841969306 JSGYHNDILABLIU-UHFFFAOYSA-N 422.250 -0.992 50 20 HBGD O=C(c1cc(Cl)ncn1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014125 AFYWSXIAXXMCAD-UHFFFAOYSA-N 400.631 -0.059 50 20 HBGD O=C(CCc1ccccc1O)NNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 730033815 VAWKABVDAJOGKV-KGLIPLIRSA-N 409.464 -0.492 50 20 HBGD COCCCN(C)CCNC(=O)NNC(=O)c1csc(N2CCOCC2)n1 743510505 XJSCVEXDYIRRRZ-UHFFFAOYSA-N 400.505 -0.108 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2c(F)cccc2Cl)n(C)c1=O 766642924 HPOUUCYPKAEVIP-UHFFFAOYSA-N 408.777 -0.313 50 20 HBGD COCCN1CCN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1=O 768678880 UIPLUAPYPTYKHM-UHFFFAOYSA-N 412.472 -0.875 50 20 HBGD COCCO[C@@H]1COCC[C@H]1NC(=O)NNC(=O)CNC(=O)c1cccs1 776868583 RTNXXMANMYLBLF-VXGBXAGGSA-N 400.457 -0.371 50 20 HBGD COC(=O)c1cn(CCNC(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)nn1 790657035 SWTZBRXTPIHFQF-UHFFFAOYSA-N 422.398 -0.265 50 20 HBGD CC(=NNC(=O)[C@@H]1CCc2nncn2C1)c1ccc(S(=O)(=O)NCC(=O)O)cc1 793135037 SQHXCTXBIXXHSI-CYBMUJFWSA-N 420.451 -0.256 50 20 HBGD O=C(N=c1cc[nH]cc1)NNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 802025250 XZGJDUDYDAKZJL-UHFFFAOYSA-N 405.436 -0.009 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2nc3c(s2)CCCC3)n(C)c1=O 814877121 JKXMFLGYJUIUPE-UHFFFAOYSA-N 401.452 -0.081 50 20 HBGD CCOc1ccccc1OCC(=O)NNC(=O)c1nc(N)nc(N2CCOCC2)n1 816810757 YXLXQWCHSXMVBP-UHFFFAOYSA-N 417.426 -0.471 50 20 HBGD NC(=O)CC[C@H](N)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781330420 AJHOBKSALNLLRG-NURSFMCSSA-N 409.256 -0.900 50 20 HBGD C[C@@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(N)=O)C2 1782001144 AOTKZSSUZYXIAG-UEKVPHQBSA-N 405.293 -0.048 50 20 HBGD C[C@@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1 1782754612 VRLRUUNWCOGMNH-BMIGLBTASA-N 420.260 -0.857 50 20 HBGD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)no1 1786140414 BHHRAFDESMNJOW-ZVZYQTTQSA-N 413.239 -0.430 50 20 HBGD CN[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCBr)[C@H]2C1)C(=O)O 1786405751 AZLGZADABDDHNA-CYDGBPFRSA-N 420.304 -0.186 50 20 HBGD C=CC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](Cl)COC)C[C@@H]21 1788757140 KTLBIIXPIZISKL-YTFOTSKYSA-N 401.891 -0.089 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cncn3C)C[C@@H]21 1791288766 SSOIWHCCZPANLB-DZKIICNBSA-N 406.487 -0.614 50 20 HBGD O=C(/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)NC1CC1 1796191541 VWTMRROBHSQHHD-JCNVWAKMSA-N 411.267 -0.547 50 20 HBGD C[C@H](NC=O)C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807372236 BYNXODGKAUHMTP-YJLNNSPDSA-N 424.266 -0.785 50 20 HBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)Cn2nccn2)[nH]n1)c1ccc(B(O)O)cc1 1817472300 DTJJPOGGZLQZCG-INIZCTEOSA-N 423.242 -0.313 50 20 HBGD CC(C)(C)OC(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1831986845 SHEBXUNCSWKGOT-SCLBCKFNSA-N 420.890 -0.226 50 20 HBGD O=C(C[C@@H]1NC(=O)NC1=O)NC1CCN(C2CCN(C(=O)[C@@H](F)Cl)CC2)CC1 1833761238 PXCRESYTLHPZMP-GXTWGEPZSA-N 417.869 -0.310 50 20 HBGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCOCC3)CCO2)C1 1835398902 SIKHLJNYORGKBS-YJBOKZPZSA-N 403.907 -0.208 50 20 HBGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)N1CCOCC1)CCO2 1837520532 BJVRRHGQPOWLBI-ZVZYQTTQSA-N 419.906 -0.889 50 20 HBGD O=C(c1cccc(F)n1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837902044 CPGBHZWFPQIJIC-DYVFJYSZSA-N 401.822 -0.110 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2cc3n(n2)CCCO3)C1 1844071991 SCIPAGARWHJCTL-UHFFFAOYSA-N 410.239 -0.524 50 20 HBGD CC(C)S(=O)(=O)CC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 728214558 ABCAEPIFEDNRRF-UHFFFAOYSA-N 418.541 -0.111 50 20 HBGD CN(C)N(C(=O)CSc1nnnn1CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 729946252 YRMITTVBSXKDIF-MRVPVSSYSA-N 402.424 -0.180 50 20 HBGD CN(C)N(C(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1)[C@H]1CCS(=O)(=O)C1 731963610 OZDRREVBSNOYFK-JKSUJKDBSA-N 416.544 -0.808 50 20 HBGD Cc1cc(C(=O)NNC(=O)c2cnn(C)c2)cc(C(=O)NNC(=O)c2cnn(C)c2)c1 753152930 WAVWFEZVQKHPRO-UHFFFAOYSA-N 424.421 -0.388 50 20 HBGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1ccc(CN2C(=O)CCC2=O)cc1 763818951 RGXLSXFRILTWOT-UHFFFAOYSA-N 409.402 -0.078 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)cc1S(N)(=O)=O 764170129 ZDLDPTOVYZSJKJ-CQSZACIVSA-N 418.431 -0.268 50 20 HBGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1 764434500 QFXGKKSZDKRNEX-ZDUSSCGKSA-N 400.395 -0.150 50 20 HBGD Cn1nc(SCC(=O)NN=Cc2cccc(Br)n2)c(=O)n(C)c1=O 777881943 MIAQHIKGBIDYTE-UHFFFAOYSA-N 413.257 -0.121 50 20 HBGD COC(=O)C[C@@H]1CCC(=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)[C@H]1C 794525155 UDNJHRQDSOBUJP-QWRGUYRKSA-N 404.427 -0.485 50 20 HBGD O=C(CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NNC(=O)Nc1ccc2c(c1)OCO2 802098043 GTXSDRNJODPCPH-YIKOMLBNSA-N 402.363 -0.270 50 20 HBGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NC2CC(NS(C)(=O)=O)C2)nc1 802418488 FFGDEDINIJSWIF-UHFFFAOYSA-N 420.517 -0.525 50 20 HBGD Cc1nn(C)c(=O)c(C(=O)N2CCN(S(=O)(=O)CBr)CC2)c1C 813510182 RKCIYQSDQCMZJW-UHFFFAOYSA-N 407.290 -0.163 50 20 HBGD NC(=O)c1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c[nH]1 916726293 HUUQOYLQWQXCIW-UHFFFAOYSA-N 421.435 -0.791 50 20 HBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)N[C@H]1CCCS(=O)(=O)C1 1320274303 QXSFFJRQXIHPON-NSHDSACASA-N 417.513 -0.191 50 20 HBGD CN(C)C(=O)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1783676135 IGTGBXIIGOMXEM-ZPFDUUQYSA-N 423.283 -0.072 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(=O)NCC(C)C)[C@H]2C1 1787528078 HMXVHBYLTZTBDH-AJNGGQMLSA-N 403.907 -0.008 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)c1cc2ncccn2n1 1788301893 AESVRMXFVUWILA-JURCDPSOSA-N 407.858 -0.078 50 20 HBGD CC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788610609 LAUJMXGORVEUDG-JQFCIGGWSA-N 417.466 -0.352 50 20 HBGD CC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@@H]21 1789858733 LIIIKGOHPGROBU-CYDGBPFRSA-N 400.863 -0.465 50 20 HBGD O=C(c1cncc(F)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830724048 CKSLPDSPJUFLTI-YOEHRIQHSA-N 401.822 -0.110 50 20 HBGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1 1831649748 BLYBGEKZQQYYLS-PXAZEXFGSA-N 400.863 -0.274 50 20 HBGD NC(=O)CC[C@H](N)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](F)Cl)CC2)CC1 1835080447 VQZWBGWXXAORHA-DZGCQCFKSA-N 405.902 -0.315 50 20 HBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1)CCO2 1835128488 WOVNCTMTTNCWQR-MQIPJXDCSA-N 418.288 -0.495 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3nccn3)C2)C1 1839154128 CANGOIXKDWZKBT-HZPDHXFCSA-N 420.297 -0.029 50 20 HBGD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C(Cl)Cl)CCO2)C1)n1cnnn1 1840190583 CHWLCOWNOBRNFF-YGRLFVJLSA-N 407.258 -0.506 50 20 HBGD O=C(CC1CCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840847054 QBMRMWXQHZVPAX-NRFANRHFSA-N 416.283 -0.373 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)CN1CCOCC1)C2 1843415686 AWJJTWAOFNQVDL-PXLXIMEGSA-N 416.482 -0.344 50 20 HBGD CCOc1ccc(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)nn1 1844832575 JMQZNTNHCKJVSL-UHFFFAOYSA-N 410.239 -0.314 50 20 HBGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)CN(C)C 727761412 BHABBACKKMSJNB-UHFFFAOYSA-N 400.457 -0.961 50 20 HBGD CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)Cc2ccncc2)cc1 747429265 HVNNHXRSXXWHDJ-UHFFFAOYSA-N 420.447 -0.073 50 20 HBGD Cc1nnc2n1C[C@H](C(=O)OCC(=O)NNC(=O)[C@@H]1COc3ccccc3O1)CC2 750671406 CAADRHXGFZOYEL-DOMZBBRYSA-N 415.406 -0.320 50 20 HBGD O=C(Cc1cc[nH]n1)NNC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 755260016 DFXNERQHNJEUCS-UHFFFAOYSA-N 416.463 -0.039 50 20 HBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)Nc1cccc(N2CCCS2(=O)=O)c1 755889990 OTKLFSBEYDNMMV-LLVKDONJSA-N 416.481 -0.186 50 20 HBGD O=C(NNC(=O)[C@H]1CN2CCCN1CC2)c1ccc(S(=O)(=O)N2CCCC2)cc1 763272391 ITFUOEUXFUMWCE-QGZVFWFLSA-N 421.523 -0.378 50 20 HBGD CCOC(=O)c1c(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)sc2c1CCC2 764433992 PIMLMAJGHWHHEZ-JTQLQIEISA-N 411.436 -0.085 50 20 HBGD Cn1ncc2c(O)nc(NNC(=O)NCCN3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)nc21 770412279 LDBZOLSPVJYBPH-GAIPPQHRSA-N 412.410 -0.498 50 20 HBGD CCCCCn1nc(C(=O)NNC(=O)Cn2ncn(C)c2=O)c2ccccc2c1=O 770548746 GXLLCKYLROXYPU-UHFFFAOYSA-N 413.438 -0.057 50 20 HBGD O=C(NNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)[C@@H]1CCc2nncn2C1 793451495 UIMBSONQZGXKLD-SECBINFHSA-N 424.395 -0.470 50 20 HBGD O=C(Cn1cc(NC(=O)NNC(=O)[C@@H]2CCc3nncn3C2)cn1)NC1CCCC1 814651722 LNONKDUVGJABGU-GFCCVEGCSA-N 415.458 -0.051 50 20 HBGD CCS(=O)(=O)NCCNC(=O)NNc1ccc(S(=O)(=O)NC(C)C)cn1 916517232 YPUQJGOLCBDTRD-UHFFFAOYSA-N 408.506 -0.666 50 20 HBGD C[C@H](Sc1nnnn1C1CC1)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 918428705 NHMQAPBDUBHNOZ-VIFPVBQESA-N 400.428 -0.075 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3cc(F)c[nH]3)CCO2)C1 1779034022 ITUVSFDAZNIRMZ-LJQANCHMSA-N 416.413 -0.090 50 20 HBGD CCc1cc(C(=O)N2CC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)n(C)n1 1779626126 LLBUEJRAIGLYTD-FQEVSTJZSA-N 420.514 -0.201 50 20 HBGD Cc1cncc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)c1 1786103653 SUAVWHCIXXYYII-VDGAXYAQSA-N 423.278 -0.023 50 20 HBGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(=O)n3O)C[C@@H]21 1791252869 ULWHZMNOQJWCEC-ABHRYQDASA-N 413.858 -0.067 50 20 HBGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)NCC(C)C)C[C@@H]21 1791253944 FXMOSTYCGGZGET-AJNGGQMLSA-N 403.907 -0.008 50 20 HBGD CC(C)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CNC1=O)C2 1792782519 UZKQGIMLMKHZAB-GNXNZQSNSA-N 400.863 -0.607 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cncc(F)c1 1794848683 VNOGAFMJPUZKHO-JLVBRIDZSA-N 413.214 -0.583 50 20 HBGD COC[C@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2 1797965145 JRHBGAPZOLRKFO-XFMPKHEZSA-N 420.304 -0.488 50 20 HBGD CC[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1802998655 BYSHJJPEKIHQPR-WDSOQIARSA-N 411.267 -0.148 50 20 HBGD C[C@@H](NC=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1822888913 OANJDLJTKKPNLJ-MFKMUULPSA-N 416.268 -0.817 50 20 HBGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1)C1(O)CCC1 1829732570 VXJDUGSTVLRIBO-JKIFEVAISA-N 404.891 -0.406 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnsn3)CCO2)C1 1833536384 WHXMAHOMMLUMGA-ABAIWWIYSA-N 404.876 -0.138 50 20 HBGD C/C=C/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939853 LATQWISMSRHKFQ-AXVWPGNMSA-N 414.267 -0.431 50 20 HBGD COCc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1 1838511950 AQPXLVGWXGOYKG-YJBOKZPZSA-N 415.874 -0.169 50 20 HBGD O=C(c1cnc(O)[nH]1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839200430 KOGOHUQVEKXQBU-HZMBPMFUSA-N 421.223 -0.124 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1839864939 YDUJPOBTQKZGHQ-HOTGVXAUSA-N 410.298 -0.055 50 20 HBGD C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1840161297 KMDKQZQKJHEVPU-XIKOKIGWSA-N 423.495 -0.927 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCSCC1 1847247013 AMBMADDHOVUVDE-HOTGVXAUSA-N 418.523 -0.451 50 20 HBGD CCC1CCC2(CC1)NC(=O)N(CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)C2=O 728385311 XGZOHOOVBYCVTG-VMBJYNEYSA-N 414.484 -0.541 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNC(=O)Cc2cccnc2)c1 728981574 BQZRYTJLTDDISD-UHFFFAOYSA-N 419.463 -0.548 50 20 HBGD CNS(=O)(=O)[C@H]1CCCN(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1 733336518 VEEHTVSBOAEOQN-ZDUSSCGKSA-N 408.444 -0.970 50 20 HBGD O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)Cn1cnc2ccccc21 742470917 CCDMUJQGCQXFHI-KNCCTNLNSA-N 411.418 -0.264 50 20 HBGD Cc1cc(N2CC[C@@H](NC(=O)NNC(=O)CNC(=O)c3cccs3)C2=O)n(C)n1 743580223 XDBNYSVRUCHZQI-LLVKDONJSA-N 419.467 -0.344 50 20 HBGD Cc1cc(S(=O)(=O)NNC(=O)[C@@H]2COCCO2)ccc1OCCCC(=O)O 745979436 QBZODKKORUPRCC-AWEZNQCLSA-N 402.425 -0.036 50 20 HBGD CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)NNC(=O)COc2ccccc2C#N)C1=O 753020242 HHTLMUYIGYLBBP-DJJJIMSYSA-N 414.422 -0.012 50 20 HBGD COCC(=O)NNC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 755412853 IFQZAWDCCITNKC-UHFFFAOYSA-N 402.429 -0.485 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 755584985 FRUVNPHURXDBKQ-VIFPVBQESA-N 419.485 -0.782 50 20 HBGD Cc1cc(CNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)ncn1 757662005 FDRAMUDQAJEWJM-UHFFFAOYSA-N 420.499 -0.058 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Cc1csc(NC(=O)c2ccco2)n1 758033963 CRLRAWPSEFOLPL-QMMMGPOBSA-N 415.453 -0.384 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CO[C@H]1CCCN(C(=O)OC(C)(C)C)C1 758048237 QZGPHRSOPGBGHI-RYUDHWBXSA-N 422.504 -0.512 50 20 HBGD CCC(CC)NC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)CN(C)C)c2ccccc2O1 764212752 QKLNTGLAZVTKGR-INIZCTEOSA-N 419.482 -0.206 50 20 HBGD CCNS(=O)(=O)c1ccc(C)c(C(=O)NNC(=O)CNC(=O)c2cccnc2)c1 764343723 RHAUTIQKTHEWOU-UHFFFAOYSA-N 419.463 -0.121 50 20 HBGD COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NNc2nnc(C)c(O)n2)C1=O 771545571 WNPUJDMNSMYTGE-KRWDZBQOSA-N 401.383 -0.195 50 20 HBGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)N2CCOCC2)[C@@H](C)O)cc1 779505168 GNWJAAJRRHXLHG-OCCSQVGLSA-N 400.457 -0.904 50 20 HBGD CO[C@@H](C(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)c1cnn(C)c1 798833483 GXWKYMXBMBAICR-GFCCVEGCSA-N 401.832 -0.130 50 20 HBGD O=C(COC(=O)c1ccc(-n2cnnn2)cc1)NNC(=O)[C@@H]1COc2ccccc2O1 848979296 LYMFYWFGLFYFQS-INIZCTEOSA-N 424.373 -0.194 50 20 HBGD O=C(CCCNC(=O)c1ccc(F)cc1F)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919883631 FIOYRDDCKNNBCF-NSHDSACASA-N 418.422 -0.008 50 20 HBGD C[C@H](CNC(=O)NNC(=O)C1CCN(c2ncccn2)CC1)CN1CCN(C)CC1 1323368913 IUALEMAYIFYAEZ-MRXNPFEDSA-N 418.546 -0.093 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)c3ncon3)C2)C1 1779867815 XMNWYNLQBGRKII-IUOVYFEOSA-N 415.410 -0.353 50 20 HBGD C[C@]1(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)CC1(F)F 1785392720 NJLBMYZYGAHTNI-MSOLQXFVSA-N 408.210 -0.145 50 20 HBGD Cc1noc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)n1 1787053719 ZLECXOXMANDSGG-KKUMJFAQSA-N 422.486 -0.727 50 20 HBGD O=C(Cc1ccccn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1795880663 QCIOTSIGBMLSPN-CWPLJXCYSA-N 409.251 -0.793 50 20 HBGD CCC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(CCO)CCO 1800576358 LVKRNJCLWVFAFM-IVSAIRAKSA-N 405.923 -0.730 50 20 HBGD Cc1nccn1[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1801459061 UTWNLUJDPAGGJH-JNNRSPCRSA-N 420.514 -0.285 50 20 HBGD Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cn1 1830724770 BUVRZADMYSVDAW-VQIMIIECSA-N 411.886 -0.011 50 20 HBGD O=C([C@@H](O)CCl)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 1830737995 KYABXWUAKLYTQE-KAYRBKQESA-N 402.875 -0.390 50 20 HBGD O=C(/C=C/c1cnccn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830739066 XGDWOFGOHUQXEV-XRYBMZHVSA-N 410.858 -0.454 50 20 HBGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC[C@H](N)C(N)=O)C2)C1 1831646698 MSGAXXGEXYSXFN-SUNYJGFJSA-N 418.922 -0.557 50 20 HBGD O=C(c1cnnc(Cl)c1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1833203772 JBJFTXFVJQFNET-WBMJQRKESA-N 419.265 -0.200 50 20 HBGD C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835940151 WNWCJYCFFIDAOM-OAQYLSRUSA-N 414.267 -0.760 50 20 HBGD NCC(=O)N1CCC(OC2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1837837154 RRUJDRHWNYKORQ-UHFFFAOYSA-N 404.471 -0.744 50 20 HBGD NC(=O)c1nccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1838327682 DKKVRTXEPKRTNI-BLLLJJGKSA-N 415.809 -0.820 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840043788 USUOSJSWOGTBHW-CVEARBPZSA-N 407.250 -0.233 50 20 HBGD COC(=O)CSCC(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1841613483 SRQVOJACBFZWCT-UHFFFAOYSA-N 406.269 -0.910 50 20 HBGD O=C(c1cc2cn[nH]c2cn1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014130 AUVRBGKCVWWMBW-UHFFFAOYSA-N 405.223 -0.232 50 20 HBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 15639374 ZYSQUSDFLRICII-CYBMUJFWSA-N 417.509 -0.087 50 20 HBGD O=C(CNC(=O)c1cc(-c2ccccc2)on1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 726523973 JUIXREXJBRQLIX-GFCCVEGCSA-N 406.420 -0.347 50 20 HBGD Cc1cccc(NC(=O)CSCC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 729277343 ZPPHXMGCSLWUDW-NSHDSACASA-N 402.498 -0.248 50 20 HBGD CC(C)NC(=O)C(=O)NNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 731059227 CRUJZIRIUASUHT-UHFFFAOYSA-N 418.497 -0.695 50 20 HBGD Cn1nc(SCC(=O)NN=Cc2ccc(Br)cn2)c(=O)n(C)c1=O 733744643 NYMAZDVTTMJGEZ-UHFFFAOYSA-N 413.257 -0.121 50 20 HBGD Cn1nncc1C=NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 751130838 GMUUISDAGHZVMR-UHFFFAOYSA-N 406.468 -0.081 50 20 HBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)oc1C 751141938 JOSZDUXDSKDHHN-UHFFFAOYSA-N 406.380 -0.026 50 20 HBGD Cc1c(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)nnn1-c1ccc2c(c1)OCCO2 758056123 RSRNBPYLHYKVIV-SECBINFHSA-N 424.439 -0.954 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2nc(Cl)ccc2F)n(C)c1=O 759609224 RAHKDNZAFLDITJ-UHFFFAOYSA-N 409.765 -0.918 50 20 HBGD CCN1CCC[C@H]1CN1C[C@@H](C(=O)NNc2nc(O)c3cnn(C)c3n2)CC1=O 770971552 KKLAWSWXGWDRNS-RYUDHWBXSA-N 402.459 -0.155 50 20 HBGD CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 786415090 WKAVPPWYYYYTHA-ZDUSSCGKSA-N 417.378 -0.477 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CNS(=O)(=O)c2cn(C)cn2)cc1C 798310691 ULVCLFHVIQZYCJ-UHFFFAOYSA-N 408.440 -0.899 50 20 HBGD CN1CCN(C(=O)NNC(=O)CNS(=O)(=O)c2ccccc2C(F)(F)F)CC1 811421117 XEYMNVKLOQNDHK-UHFFFAOYSA-N 423.417 -0.028 50 20 HBGD C[C@@H]1CN(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)C[C@@H](C)S1(=O)=O 811874027 GTUTYUWOOUCJSY-CHWSQXEVSA-N 410.500 -0.059 50 20 HBGD C[C@@H]1CN(CCC(=O)NNC(=O)CNS(=O)(=O)c2ccccc2F)C[C@@H](C)O1 912918770 DKOLBDWMWWJMKV-CHWSQXEVSA-N 416.475 -0.249 50 20 HBGD Cn1c(=O)c2ccc(C(=O)NNC(=O)[C@@H]3COc4ccccc4O3)nc2n(C)c1=O 914084232 ZHJIOQQPEPZZQR-AWEZNQCLSA-N 411.374 -0.767 50 20 HBGD COc1cccc(C(=O)NNC(=O)C2CCN(c3ccc4nnnn4n3)CC2)c1O 919755764 BVHDLXLZFFAHGD-UHFFFAOYSA-N 412.410 -0.089 50 20 HBGD CN1CCC[C@H](C(=O)N2CC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)C1 1781005334 JNNWTHKJBJLYGD-JXFKEZNVSA-N 409.531 -0.469 50 20 HBGD CC(=O)N1CCN(CC(=O)N2CCO[C@]3(CCN(C(=O)C(Cl)Cl)C3)C2)CC1 1783948100 VEUPJMWIOZKXNN-QGZVFWFLSA-N 421.325 -0.216 50 20 HBGD CC(C)(O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1786651152 QJGADZBZJDNLLY-XIRDDKMYSA-N 404.272 -0.879 50 20 HBGD CC[C@H](C)[C@@H](N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1786817515 RATBTUFLASRDCT-LEYVVWKUSA-N 417.315 -0.667 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCN(C)CC3)[C@H]2C1 1788194983 CDTXRCIXUSDYKL-QAETUUGQSA-N 416.950 -0.533 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1cc2ncccn2n1 1796191505 RGUJIHXULNNRQD-BJWYYQGGSA-N 419.250 -0.025 50 20 HBGD C[C@](O)(CC(=O)O)CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796192316 ZKLXCVQWKFNUJD-UIVXKWKOSA-N 418.255 -0.766 50 20 HBGD CCC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)N1CCOCC1 1797802790 NUMGBIOVTQGCHU-SFUJAXRZSA-N 403.907 -0.366 50 20 HBGD O=C1CC[C@@H](C(=O)N2CCC3(CCCN(C(=O)c4cccc(B(O)O)c4)C3)CC2)N1 1809976582 ILXBLHNNLHZTSF-KRWDZBQOSA-N 413.283 -0.510 50 20 HBGD C=CC(=O)N[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833312452 NMDHDJPSVIQRLX-BBRMVZONSA-N 414.934 -0.152 50 20 HBGD C[C@@H](CN)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837829846 HOQQVVSRIZCSIH-HNNXBMFYSA-N 417.315 -0.427 50 20 HBGD CN[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2)C(=O)O 1840188266 ZNUHJATUFDXDPL-ZUZCIYMTSA-N 412.270 -0.691 50 20 HBGD Cc1cc(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)nc2nccn12 1843014575 AVMKZGMVIFHQOI-UHFFFAOYSA-N 419.250 -0.152 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2ccnc3c2OCO3)C1 1844660414 CUNZLLUERMPTFF-UHFFFAOYSA-N 409.207 -0.379 50 20 HBGD CCCC[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NNC(=O)C(=O)NC1CC1 11683587 NDOXQXHLNLXJTJ-CYBMUJFWSA-N 421.479 -0.290 50 20 HBGD C[C@]1(C2CC2)NC(=O)N(CC(=O)NNC(=O)c2csc(N3CCOCC3)n2)C1=O 12804078 HLWBXALJILWNOH-QGZVFWFLSA-N 422.467 -0.539 50 20 HBGD CC(C)n1nc(C(=O)NNC(=O)CCn2cc[nH]c(=O)c2=O)c2ccccc2c1=O 116762354 JEJCHEOLUQGTPV-UHFFFAOYSA-N 412.406 -0.321 50 20 HBGD Cc1nc(S(=O)(=O)N2CCC(C(=O)NNC(=O)c3ccncc3)CC2)cn1C 747695907 BAOKYNCVRLVKJG-UHFFFAOYSA-N 406.468 -0.015 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(CS(C)(=O)=O)c(F)c1 757675982 QCEVQHPMJPHXFX-QMMMGPOBSA-N 410.449 -0.539 50 20 HBGD Cc1cc(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc(C(=O)O)c1Cl 759095099 DINRWCIHAGNYOG-SSDOTTSWSA-N 413.861 -0.406 50 20 HBGD CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)NNC(=O)[C@@H]1COCCO1 761270091 GNJBMEDINVYCDB-LBPRGKRZSA-N 423.469 -0.818 50 20 HBGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)n1 763882659 VQBQTBSWMORCGI-UHFFFAOYSA-N 422.467 -0.450 50 20 HBGD C[C@@H]1CN(c2ccc(NC(=O)C(=O)NNC(=O)[C@@H]3COCCO3)cc2F)C[C@@H](C)O1 764432498 ICWSDXMLOWLXCX-HSMVNMDESA-N 424.429 -0.059 50 20 HBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)NCCOC)cc1 771969559 HBHPYFHTQNYHSE-NSHDSACASA-N 401.441 -0.286 50 20 HBGD CCn1nc(C(=O)NNC(=O)[C@H](NC(=O)C2CC2)[C@H](C)O)c2ccccc2c1=O 779490898 GQVQYTMGBHGWNU-IINYFYTJSA-N 401.423 -0.547 50 20 HBGD Cc1cccc(OCC(=O)NNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c1 914829808 WDRKDWBYYBCPNN-UONOGXRCSA-N 409.464 -0.443 50 20 HBGD CN(C)N(C(=O)c1nccc2c(S(N)(=O)=O)cccc12)[C@@H]1CCS(=O)(=O)C1 1261222807 YGIJWUJJOJGLDG-LLVKDONJSA-N 412.493 -0.012 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1779033842 FTIXVNYYVODNRD-MRXNPFEDSA-N 416.265 -0.068 50 20 HBGD C[C@@]1(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)CC1(F)F 1785392950 QOCPZGUSWKAJAP-ROUUACIJSA-N 408.210 -0.145 50 20 HBGD O=C1NCCn2nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)[C@@H](F)Cl)[C@H]4C3)cc21 1787445789 QCGPJAJFMLOMIB-TXFQPVFDSA-N 413.837 -0.246 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)c1cnn2cccnc12 1788288678 CTFLUCCKEZGCGQ-MXAVVETBSA-N 407.858 -0.078 50 20 HBGD C=CC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](Cl)COC)C[C@@H]21 1788757135 KTLBIIXPIZISKL-LXFSFDBISA-N 401.891 -0.089 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncccc1F)C2)c1ccc(B(O)O)cc1 1795734984 DVZZDVQEDFDFOA-XOIINTDNSA-N 413.214 -0.583 50 20 HBGD CC(=O)N1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](F)Cl)C3)CC1 1797306517 JMNINHASFSPYDF-OCVGTWLNSA-N 404.870 -0.726 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCCS1 1801564610 LANABAGKDBVLOL-VZAMPYOESA-N 419.507 -0.216 50 20 HBGD COc1nccnc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830726143 WSBUTJVMGDCMRZ-SJCJKPOMSA-N 414.846 -0.845 50 20 HBGD CCn1nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc1C 1830732611 ULYMKLFJNBOCED-YJBOKZPZSA-N 414.890 -0.119 50 20 HBGD O=C(O)CSCC(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833312818 GIKQCJVCEDGTDY-AWEZNQCLSA-N 421.947 -0.025 50 20 HBGD C[C@@H](CC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834819475 OTYDZEMNESJUNU-BLLLJJGKSA-N 420.304 -0.261 50 20 HBGD O=C(c1ccc2nncn2c1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837011425 BJSPFAZOPQVQIH-RDTXWAMCSA-N 423.857 -0.601 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CC(=O)NC3=O)C2)C1 1839142258 LEBYMTISUXJGJP-PXAZEXFGSA-N 416.862 -0.988 50 20 HBGD COC(=O)[C@H]1CC[C@H](C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)C1 1841340595 FPARHVMIKJIEHU-HOTGVXAUSA-N 414.267 -0.227 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2nc3ccccn3n2)C1 1843230074 SDYQEUJMSKDWEE-UHFFFAOYSA-N 405.223 -0.460 50 20 HBGD O=C(CNCP(=O)(O)O)N1CC2(CCCN2C(=O)[C@@H](F)Br)C1 1845217391 VSGZSXWVCSGLAW-SECBINFHSA-N 402.157 -0.395 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)[C@H](C)n2cnnn2)C1 1846645451 IVBCFYQJSRMSIH-XMOVILSBSA-N 413.442 -0.429 50 20 HBGD O=C(NCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(B(O)O)cc1)c1cccnc1 1848137047 IFCUISVLHKEHEJ-ROUUACIJSA-N 422.250 -0.993 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccccc1I 729274874 GJQFQZHHISNEIU-SSDOTTSWSA-N 411.221 -0.010 50 20 HBGD O=C(Cn1ccc2ccccc21)NNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 729451018 FAOCFDIPBUUBKG-CABCVRRESA-N 418.475 -0.176 50 20 HBGD COc1ccccc1CC(=O)NNC(=O)NCCS(=O)(=O)N1CCSCC1 730584412 WBPJGGLRBDCDCY-UHFFFAOYSA-N 416.525 -0.053 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCCn3cccn3)nc2)CC1 734280620 NTCGUWHVZNARJI-UHFFFAOYSA-N 408.488 -0.460 50 20 HBGD CCN(CC)S(=O)(=O)CC(=O)NNC(=O)c1nn(CC)c(=O)c2ccccc12 735833711 PIZAVKCCWJZBAK-UHFFFAOYSA-N 409.468 -0.151 50 20 HBGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 742476576 AUDYXACQRXEEMG-QAFSRLRVSA-N 405.382 -0.097 50 20 HBGD Cc1ccc(-c2cc(C(=O)NNC(=O)Cn3cc(S(N)(=O)=O)cn3)n[nH]2)cc1 748557923 DNWDFXODHVGNLL-UHFFFAOYSA-N 403.424 -0.310 50 20 HBGD CON(C)S(=O)(=O)c1ccc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 755533049 GWFPDVMSNCZDQE-JTQLQIEISA-N 420.469 -0.544 50 20 HBGD COCCOc1cc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)ccc1OC 755695487 HTVXTMHZDSPJRE-JTQLQIEISA-N 404.445 -0.189 50 20 HBGD COCCO[C@@H](C)C(=O)NNC(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 756146820 WEMWSJAUOLWBNC-VIFPVBQESA-N 420.410 -0.318 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CCC(=O)N(CCC#N)c1ccccc1 758049408 ZLJNXWUPMLKBSJ-CYBMUJFWSA-N 409.468 -0.201 50 20 HBGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 760360587 MFWHPPKRASONIQ-UHFFFAOYSA-N 409.461 -0.157 50 20 HBGD O=C(CNC(=O)c1cccnc1)NNC(=O)CNC(=O)c1ccccc1OC(F)F 763820649 OSAUYQJRGAHHKV-UHFFFAOYSA-N 421.360 -0.010 50 20 HBGD CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NNC(=O)COc1ccc(F)cc1 763842065 APSHVSCCWFSBLA-UHFFFAOYSA-N 407.358 -0.099 50 20 HBGD Cc1ncc(-c2ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc2)o1 764226083 FNFTXFSCKKAHHQ-VIFPVBQESA-N 409.424 -0.326 50 20 HBGD COCC(=O)NNC(=O)C(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 764303554 NKKZKXGMMUXGLM-UHFFFAOYSA-N 424.479 -0.456 50 20 HBGD COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)NNC(=O)C3CCC3)cc2)CC1 764338498 HAAXNVWDLWPRLI-UHFFFAOYSA-N 417.466 -0.132 50 20 HBGD Cc1nn(C)c(=O)c(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1C 764599227 UAJUXOORGFXLQL-UHFFFAOYSA-N 407.452 -0.278 50 20 HBGD CC(C)(C)OC(=O)NCC(=O)NNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 777938870 AVELZLPENFQCOR-UHFFFAOYSA-N 407.470 -0.076 50 20 HBGD CCN1CCC[C@@H]1CN1C[C@H](C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)CC1=O 792855706 SCIWOWAIRCXNIG-BZUAXINKSA-N 400.545 -0.189 50 20 HBGD CO[C@@H](C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1)c1cnn(C)c1 798775026 SUFFAJHAYGHGPI-GDBMZVCRSA-N 404.379 -0.362 50 20 HBGD CCn1nc(C(=O)NNC(=O)CCN2C(=O)CCNC2=S)c2ccccc2c1=O 816806105 RUGMSXVIKGSBGR-UHFFFAOYSA-N 416.463 -0.326 50 20 HBGD CNS(=O)(=O)Cc1ccc(CNC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)cc1 1115854020 WJYPEEYKOKYIBO-HNNXBMFYSA-N 404.514 -0.383 50 20 HBGD CN(CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)c1ccc(Br)o1 1115865629 AHWGHPWQPICSQP-MRVPVSSYSA-N 422.257 -0.304 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NC2CCN(CC#N)CC2)c1 1318322795 DWODMAXKWPURFL-UHFFFAOYSA-N 408.484 -0.131 50 20 HBGD CC(C)(O)CC(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779031608 UMQRCFSAYOQYLW-LJQANCHMSA-N 405.455 -0.710 50 20 HBGD C=CC(=O)N[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2 1779527893 GWYHYAOZMVSUAQ-UYAYXHRUSA-N 401.891 -0.209 50 20 HBGD C[C@@H](Cn1cncn1)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783934665 KDIAFKYVZDHBQI-KXBFYZLASA-N 421.502 -0.883 50 20 HBGD C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1)n1ccnn1 1783936149 DNYBVGLYCUYGPV-KDOFPFPSSA-N 407.475 -0.958 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc(=O)n1C)CCO2 1783936290 LXFHMMLSEAFXAC-FQEVSTJZSA-N 419.482 -0.798 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cocn3)[C@H]2C1 1786231200 OADHTFSZCBSPMV-PJODQICGSA-N 414.422 -0.420 50 20 HBGD C[C@](Cl)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)CCC(N)=O)C[C@@H]21 1789866093 JVYZXGBWMDKJMQ-SMXCXOSKSA-N 423.341 -0.205 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)O)[C@H]2C1 1791050974 IIILNGORBMXMMN-HXOBDHDDSA-N 405.455 -0.519 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)c1ccco1 1793931323 DMXQMCXFMNVNAX-FVCICTRLSA-N 406.439 -0.575 50 20 HBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1cccnc1 1793957004 HGDCJDHEOOHJHI-JYYAWHABSA-N 424.885 -0.345 50 20 HBGD CC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCNC2=O 1794973578 QDCQFLWTAQZVOK-OXIQGZBJSA-N 409.874 -0.153 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCC([C@H]2CCCCN2C(=O)C(O)O)CC1 1824024916 QQNFIPUDSPIPKI-OAHLLOKOSA-N 405.455 -0.771 50 20 HBGD NC(=O)NCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1832935949 METHESWMTANRCL-QGZVFWFLSA-N 416.287 -0.732 50 20 HBGD O=C1CC[C@H](C(=O)NC2CCN(C3CCN(C(=O)[C@H](O)CCl)CC3)CC2)CN1 1833118301 NNOATGAUUAXFAT-XJKSGUPXSA-N 414.934 -0.316 50 20 HBGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)COCCO)CC2)CC1 1836410956 RIVLJUSUGVPOKV-INIZCTEOSA-N 405.923 -0.179 50 20 HBGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCNC(=O)C1)CCO2 1840231885 IWCGUNOORFPHMM-DEYYWGMASA-N 401.891 -0.014 50 20 HBGD NC[C@H](C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1)c1ccccc1 1843010974 BAEOJMVTTSCRBH-IBGZPJMESA-N 407.279 -0.074 50 20 HBGD C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCC(=O)NN(C)C 1847822100 VQLSSKDNQBQJMW-RDBSUJKOSA-N 402.517 -0.758 50 20 HBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cccc(S(=O)(=O)NC2CC2)c1 9930989 YVDUDUQLZSUIMK-NSHDSACASA-N 401.466 -0.677 50 20 HBGD C[C@H]1CN(CCC(=O)NNC(=O)[C@H](C)N2C(=O)NC3(CCCC3)C2=O)C[C@@H](C)O1 732262743 VZEIUAWSNLBZPZ-MJBXVCDLSA-N 409.487 -0.114 50 20 HBGD Cn1cc(C(=O)NNC(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)cn1 735511977 JFBYHAJWEQPUHQ-UHFFFAOYSA-N 400.848 -0.004 50 20 HBGD NS(=O)(=O)c1ccc(OCCSCC(=O)NNC(=O)[C@H]2COCCO2)cc1 744642406 JQHRDAKOJVSPBF-CYBMUJFWSA-N 419.481 -0.991 50 20 HBGD C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNC(=O)c1cc(Cl)ccc1O 755678879 XAMSARJIMKDENE-QMMMGPOBSA-N 401.832 -0.093 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(Oc2ccncc2)cc1 764229682 BOVAGCFJBAUXKJ-LLVKDONJSA-N 421.435 -0.103 50 20 HBGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1cccc(NC(=O)c2ccncc2)c1 764424236 GUGCOXZZTOHSBX-OAHLLOKOSA-N 413.390 -0.165 50 20 HBGD C[C@@H]1CN(Cc2ccccc2NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)C[C@@H](C)O1 764434642 QZFZMIFOCZQXNQ-CPUCHLNUSA-N 420.466 -0.203 50 20 HBGD CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1cc(F)cc(F)c1O 764812456 LRSGBAVZKCKZAM-UHFFFAOYSA-N 406.349 -0.042 50 20 HBGD CC(C)(C)OC(=O)N1CCC[C@H](OCC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)C1 767817862 HCACYYDGONHLPI-STQMWFEESA-N 419.500 -0.015 50 20 HBGD COc1ccc(CN(C)C)cc1NC(=O)C(=O)NNC(=O)CNC(=O)c1ccco1 784002918 XAABHFSMMAVNEM-UHFFFAOYSA-N 417.422 -0.134 50 20 HBGD COC(=O)c1c(F)cccc1NC(=O)C(=O)NNC(=O)CNC(=O)c1ccco1 784004728 RAOZWXLZMPHZSA-UHFFFAOYSA-N 406.326 -0.279 50 20 HBGD CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)Cc1ccccc1OC 786417164 NKBWOLIPFINYPW-UHFFFAOYSA-N 403.395 -0.066 50 20 HBGD COC(=O)C[C@@H]1CCC(=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)[C@@H]1C 794525154 UDNJHRQDSOBUJP-MNOVXSKESA-N 404.427 -0.485 50 20 HBGD CCn1c(=O)c(=O)[nH]c2cc(C(=O)NNC(=O)CCN3C[C@@H](C)O[C@H](C)C3)ccc21 912918696 BYOAZYASVDIVNR-CHWSQXEVSA-N 417.466 -0.030 50 20 HBGD C[C@@H]1CN(CCC(=O)NNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C[C@@H](C)O1 912919073 IMRBXJGTZOMHJW-ZIAGYGMSSA-N 423.495 -0.517 50 20 HBGD C[C@@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCN(C)CC3)C2)C1 1778264332 VAQBLEQNECCZLA-RHSMWYFYSA-N 417.348 -0.153 50 20 HBGD CN[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)Br)C2)C1)C(=O)O 1783531929 AHQIJHZMJWWJNX-FIXISWKDSA-N 406.277 -0.338 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3cnncc3C(=O)O)CCO2)C1 1783878082 UZUPWPINRBCVSL-GUYCJALGSA-N 412.830 -0.128 50 20 HBGD O=C(CN1C(=O)C=CC1=O)N1CC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1784119341 WZHVFHPHSZZINN-ZFWWWQNUSA-N 418.219 -0.568 50 20 HBGD CC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@H]3NC(=O)NC3=O)[C@H]2C1 1785153648 WHHNBBLAUYVZIL-VLJOUNFMSA-N 400.863 -0.418 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791293359 YVKDUOQPEGDUCE-XQLPTFJDSA-N 418.922 -0.407 50 20 HBGD CC[C@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2 1796321729 ZDGXZSAMTNYWCO-HPENLJRUSA-N 409.256 -0.287 50 20 HBGD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)no1 1797749599 GWVKBNLCJNTMIZ-DRXBFXEBSA-N 414.422 -0.501 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)c1nc(O)n2c1CCCC2 1797982167 MMAHUKKDGSTTDJ-XCCSTKFXSA-N 412.874 -0.272 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncc(O)c1)C2 1801012790 LRUZRKMIIMEZGE-ZSBFGKGUSA-N 405.455 -0.637 50 20 HBGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]n3)C2)C1 1830538263 AFEYZXYZKZXEFO-ABAIWWIYSA-N 416.276 -0.094 50 20 HBGD Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)on1 1830726968 YPORLLMLGFZPMP-PBHICJAKSA-N 401.847 -0.418 50 20 HBGD CC(=O)NCCC(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833312460 VQHCJJYEMFPHKS-MRXNPFEDSA-N 402.923 -0.316 50 20 HBGD CC(C)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)CC[C@H](N)C(N)=O)CCO2)C1 1835736847 XAUMPAQNPAPUPF-UGSOOPFHSA-N 418.922 -0.699 50 20 HBGD C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840184743 DKKGSUWTPTZGPO-GUYCJALGSA-N 402.517 -0.866 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCSC)CCO2 1840200958 XWKSSTOVXUVSFX-VBQJREDUSA-N 424.947 -0.189 50 20 HBGD O=C(N=c1cc[nH]cc1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 726871492 UPXAGUJGBYVSJY-UHFFFAOYSA-N 405.436 -0.009 50 20 HBGD CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NNC(=O)c1cnn[nH]1 729456221 XCMSZWVZPFSEFK-NSHDSACASA-N 405.440 -0.281 50 20 HBGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)NCCN1C(=O)CCC1=O 733847637 DXXDFTSGDADSRL-UHFFFAOYSA-N 416.482 -0.322 50 20 HBGD CN1CCC(N2CC[C@@H](NC(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)C2)CC1 734283304 HZBBHOJXBFITTB-OAHLLOKOSA-N 413.486 -0.225 50 20 HBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2cccc(C(N)=O)c2)CC1 735117974 LADLQRZJCRNPMI-UHFFFAOYSA-N 418.479 -0.127 50 20 HBGD CCC(CC)NC(=O)C(=O)NNC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 740851931 BVJCOKABXDWMIY-UHFFFAOYSA-N 409.468 -0.481 50 20 HBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cncc(I)c1 756870216 IAGOIPGDJOANNH-SSDOTTSWSA-N 409.205 -0.118 50 20 HBGD Cc1ncc(-c2ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc2)o1 764226082 FNFTXFSCKKAHHQ-SECBINFHSA-N 409.424 -0.326 50 20 HBGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccc(CCN2CCSCC2)cc1 764423571 BMAJVHGCNYNFCQ-INIZCTEOSA-N 422.507 -0.221 50 20 HBGD C[C@H](c1cccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)c1)N1CCOCC1 764424700 KLHCNTNHTIOVRC-CZUORRHYSA-N 406.439 -0.419 50 20 HBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1nccn2c(Br)cnc12 769625145 IODQWSHUVLOILB-ZETCQYMHSA-N 402.230 -0.313 50 20 HBGD COC(=O)[C@H]1CN(C(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)c2ccccc2O1 783427256 QSUSGEFKPYHDPA-DYVFJYSZSA-N 411.436 -0.848 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1OC(C)C 787542507 LJJXURLNPMAKHP-NSHDSACASA-N 400.457 -0.194 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCCOCC(F)F)nc2)CC1 788319736 NRDUNJWGNIIVGU-UHFFFAOYSA-N 422.458 -0.075 50 20 HBGD CCOC(=O)c1ccc(C)c(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1 788745650 ILLXCJIDWMBXQQ-LBPRGKRZSA-N 419.481 -0.149 50 20 HBGD CC(C)[C@@H](NCC(=O)NNC(=O)C(C)(C)C)C(=O)N(C)Cc1nnc2n1CCC2 791622397 CZCOSLMGDNPJSP-MRXNPFEDSA-N 407.519 -0.010 50 20 HBGD O=C1COC[C@H](C[C@@H]2CN(C(=O)C(=O)NNC(=O)C3CCC3)c3ccccc32)N1 806980132 PKWCTZBXNPBTJT-KGLIPLIRSA-N 400.435 -0.031 50 20 HBGD N#Cc1ccc(C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3cc[nH]n3)CC2)cc1 809989174 YWFKOSUYHFXBDI-UHFFFAOYSA-N 417.451 -0.951 50 20 HBGD COC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)COc1cc(C)cc(C)c1 815565627 VJYORNMRRXIFFM-UHFFFAOYSA-N 403.395 -0.012 50 20 HBGD CCOc1ccc(C(=O)NNC(=O)NCC2CN(S(C)(=O)=O)C2)cc1OC 1255267573 WSFUUGDZNSMTRF-UHFFFAOYSA-N 400.457 -0.071 50 20 HBGD Cc1cc(C(=O)NCC(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)no1 1779121036 WSOUFBZZMNXLNQ-DYVFJYSZSA-N 414.846 -0.858 50 20 HBGD Cc1ncc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)cn1 1783936726 SLMPPFAZTCKBCB-LJQANCHMSA-N 404.471 -0.398 50 20 HBGD C[C@@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NNC(=O)C3)[C@H]2C1 1788553579 XKKGPSLUIRFHRT-ZPFDUUQYSA-N 415.288 -0.127 50 20 HBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Cl)C[C@@H]21 1788610138 FPUKVUIQPXEWKH-NZPIUUIZSA-N 413.837 -0.187 50 20 HBGD C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791291260 QYDZJFSNOKDOJB-LUKYLMHMSA-N 424.542 -0.088 50 20 HBGD O=C(COc1ccccc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1795188329 PHGGJFHPDBZFQQ-UPHUGPLXSA-N 424.262 -0.351 50 20 HBGD Cc1cnn([C@H](C)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)c1 1801343525 AKDUCPZDJFQERS-OAFZBRQQSA-N 420.514 -0.285 50 20 HBGD N=C1NCCN1CC(=O)N1CC[C@H](CNC(=O)[C@H](O)CCl)[C@@H]1c1cccnc1 1803138993 QNNDPTCNIVHTBG-FMKPAKJESA-N 408.890 -0.473 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCC2(CCCN(C(=O)CS(C)(=O)=O)C2)CC1 1809425414 WMMURWGNTBEUSH-UHFFFAOYSA-N 416.544 -0.365 50 20 HBGD O=C(CC(F)(F)C(=O)O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830727913 KMDBRQOSUXZXEM-YGRLFVJLSA-N 414.789 -0.848 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCN(C)CC3)C2)C1 1839145971 SBWUAIBTICJYQC-VQIMIIECSA-N 416.950 -0.292 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnc[nH]3)C2)C1 1840152211 BCCKKSUFXPJIMN-PBHICJAKSA-N 400.863 -0.338 50 20 HBGD C[C@@H](C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2)n1ccccc1=O 1844364407 CLBJNUVKUNOIOH-HNNXBMFYSA-N 409.251 -0.394 50 20 HBGD O=C(NNC(=O)c1sccc1S(=O)(=O)N1CCCCC1)C(=O)NC1CC1 11683445 FWTZODHNUMMNGZ-UHFFFAOYSA-N 400.482 -0.038 50 20 HBGD CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NNC(=O)Cc2ccncc2)cc1 747324882 PBRIQJSVNWHGAJ-UHFFFAOYSA-N 404.448 -0.053 50 20 HBGD C[C@@H](NC(=O)NNC(=O)C(=O)N1CCCC1)c1ccc(S(=O)(=O)N(C)C)cc1 748458515 BEERJWDJYCBGEY-GFCCVEGCSA-N 411.484 -0.049 50 20 HBGD NC(=O)c1c[nH]c(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1 749324599 ZUMVKPJMWRQWKZ-UHFFFAOYSA-N 405.436 -0.027 50 20 HBGD COc1cc(C(=O)NNC(=O)CNC(=O)c2ccco2)cc(Cl)c1OCC(N)=O 751204681 LYXUHFUNXAGZFU-UHFFFAOYSA-N 424.797 -0.003 50 20 HBGD COCCOC(=O)Nc1cccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 756223277 YEJSAJQTPUFJMW-JTQLQIEISA-N 417.444 -0.028 50 20 HBGD CN(C)S(=O)(=O)c1c[nH]c(C(=O)NNC(=O)CCNC(=O)OC(C)(C)C)c1 760450594 MNRCQQIMDLWTCB-UHFFFAOYSA-N 403.461 -0.059 50 20 HBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)n[nH]1 763118438 DOIBDJHIFPQIRV-FRRDWIJNSA-N 411.484 -0.411 50 20 HBGD CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNC(=O)c1ncccc1C)CC2 764385805 KJXAGLVIONBJHI-UHFFFAOYSA-N 417.447 -0.352 50 20 HBGD CC(C)N1CCN(c2cccc(NC(=O)C(=O)NNC(=O)[C@H]3COCCO3)c2)CC1 764426601 VJRRVXKUSRBRJQ-QGZVFWFLSA-N 419.482 -0.282 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)/C=C\c2ccccc2C#N)n(C)c1=O 765729126 BDFCUYHYFCOGAT-FPLPWBNLSA-N 407.390 -0.834 50 20 HBGD NS(=O)(=O)c1cc(C(=O)NNC(=O)[C@H]2CCCCS2(=O)=O)ccc1Cl 771885658 SSFQNDWDOCSDPX-SNVBAGLBSA-N 409.873 -0.284 50 20 HBGD COCCO[C@H](C)C(=O)NNC(=O)NCCNS(=O)(=O)c1ccc(F)cc1F 799673401 AKUUIEYVVUZCGW-SNVBAGLBSA-N 424.426 -0.375 50 20 HBGD COCCCOc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)cc1OC 806980012 IQEMAYSUVAULOJ-HNNXBMFYSA-N 411.411 -0.388 50 20 HBGD Cc1cnc(Br)c(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 812980491 RYEAPCHSHGZVDJ-SSDOTTSWSA-N 422.261 -0.824 50 20 HBGD O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NNC(=O)CN1CCCC1=O 920825367 JKSXIHSSKSXGSK-UHFFFAOYSA-N 404.395 -0.597 50 20 HBGD Cn1nc(C(=O)NNC(=O)NC[C@@H]2CCCCS2(=O)=O)c2ccccc2c1=O 1342305490 RGQXIJXWQDZAQL-NSHDSACASA-N 407.452 -0.155 50 20 HBGD CCC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(CCO)CCO)C[C@@H]21 1784622838 XJFBDTUUAVLLHB-QAETUUGQSA-N 419.950 -0.340 50 20 HBGD CCN(C)[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1790555969 HRMOXDFSPZOFSS-QZWWFDLISA-N 411.547 -0.321 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)c3ccco3)C[C@@H]21 1791287318 XXBXOZNKQDZZNJ-IWKLRQMXSA-N 422.482 -0.334 50 20 HBGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1 1795387156 QJCGMMQDDPTGQK-ROEYZRMQSA-N 402.289 -0.114 50 20 HBGD CN1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](F)Br)C3)CC1 1797237831 OORKXNLYWSKOLL-AYRXBEOTSA-N 421.311 -0.486 50 20 HBGD CN[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)Br)C(=O)O 1800757055 UCXABRTYAZYRMX-BZNQNGANSA-N 406.277 -0.578 50 20 HBGD O=C(CN1C(=O)CSC1=S)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Cl)C2 1802104669 FKMPBNUXPFSIOX-IWXIMVSXSA-N 409.892 -0.029 50 20 HBGD CNC(=O)CC(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1803480690 CIMBPOUAPLBNKJ-QRWLVFNGSA-N 418.498 -0.404 50 20 HBGD O=C([C@H](O)CCl)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)c1ccco1)CCO2 1829814501 SCHPZLUEOGKVAD-SUYBPPKGSA-N 402.831 -0.631 50 20 HBGD CC(C)n1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)n1 1830728892 YTACMECCDIAAPD-SUMWQHHRSA-N 415.878 -0.471 50 20 HBGD COc1ccnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1 1830731560 MFVOKXMYDWABMO-MAUKXSAKSA-N 413.858 -0.240 50 20 HBGD O=C(c1cc(O)ccc1O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830732784 AQIBDNMKMZLKIW-QAPCUYQASA-N 414.842 -0.233 50 20 HBGD Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cn1 1833126739 PHHIANOFZJJUIE-LPHOPBHVSA-N 411.886 -0.011 50 20 HBGD C[C@@H](NC=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1839165081 XZVGXBVEBBNSGQ-RHSMWYFYSA-N 401.536 -0.571 50 20 HBGD C[C@@H](Br)C(=O)N1CC2(CCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)C1 1843235566 DOYQXQQERMKSPV-MRVPVSSYSA-N 410.232 -0.587 50 20 HBGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)c2cccc(CS(N)(=O)=O)c2)cc1 744898259 JXPTUHMWPVDKOK-UHFFFAOYSA-N 416.415 -0.035 50 20 HBGD N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NNC(=O)[C@H]3COCCO3)CC2)cc1 746003358 PRDZBPOHEUYWMS-OAHLLOKOSA-N 423.451 -0.979 50 20 HBGD CS(=O)(=O)CCn1ccc(NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)n1 756760899 PETLRMNXVZCPHX-UHFFFAOYSA-N 419.427 -0.630 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)/C=C\c2ccc(Cl)nc2)n(C)c1=O 759607627 LAYIKCVAVQVKDU-XQRVVYSFSA-N 417.813 -0.657 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cn(C)cn3)CC2)cc1 759608017 MNOUPTNMLOTMJU-UHFFFAOYSA-N 420.495 -0.504 50 20 HBGD O=C(COC(=O)c1cc2n(n1)CCCO2)NNC(=O)[C@H]1COc2ccccc2O1 763359220 HWSBVRGDTAAMPE-CQSZACIVSA-N 402.363 -0.190 50 20 HBGD O=C(NNC(=O)[C@H]1C[C@]12CCOC2)c1cccc(S(=O)(=O)N2CCOCC2)c1 763365255 OBJFBZXJCYYIOH-QAPCUYQASA-N 409.464 -0.105 50 20 HBGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1 764433466 NPYISDQSPPUSLJ-BLBHWQHRSA-N 409.342 -0.185 50 20 HBGD Cc1ccccc1C(C)(C)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 766643803 KOHZVKPEADSTFU-UHFFFAOYSA-N 412.450 -0.133 50 20 HBGD C=CCN1C(=O)C(=O)N(CC(=O)NNC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)C1=O 768277702 VKZZWMIDAVQVEX-UHFFFAOYSA-N 414.353 -0.046 50 20 HBGD COCCO[C@H]1COCC[C@H]1NC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 776844839 MYNSWBMFRSVSFO-CABCVRRESA-N 405.415 -0.573 50 20 HBGD COCC(=O)N[C@H](C(=O)N1CCN(S(=O)(=O)CBr)CC1)C(C)C 777777516 KWSDCBSZDWZIJR-LBPRGKRZSA-N 414.322 -0.400 50 20 HBGD N#Cc1ccc(C(=O)NNC(=O)CN2CCC[C@H](N3CCCS3(=O)=O)C2)cc1 789375401 WEDKANMWFLHZNK-INIZCTEOSA-N 405.480 -0.181 50 20 HBGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@@](C)(O)Cn2c(C)cccc2=O)n1 795779238 JRBZBSJSKUVMLH-SFHVURJKSA-N 422.463 -0.394 50 20 HBGD O=C(N=c1cc[nH]cc1)NNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 802030578 JWOZNRIPHVMKPG-HIFRSBDPSA-N 423.426 -0.381 50 20 HBGD COc1ccc(NC(=O)NNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1 802055953 XTBZNIQEKFISFU-YPMHNXCESA-N 410.452 -0.117 50 20 HBGD CC(C)CSc1ccc(S(=O)(=O)NCC(=O)NNC(=O)CO)cc1[N+](=O)[O-] 802573681 MBMUEZZZVPSGCI-UHFFFAOYSA-N 420.469 -0.239 50 20 HBGD O=C(CCS(=O)(=O)c1ccc2c(c1)CCC2)NNC(=O)[C@H]1CCS(=O)(=O)C1 915279825 RTGLAIONOXREBW-AWEZNQCLSA-N 414.505 -0.079 50 20 HBGD Cc1csc(CC(=O)NNC(=O)COC(=O)C[C@H]2CCCS(=O)(=O)C2)n1 1324279309 XBFPGDGXAIAFLZ-LLVKDONJSA-N 403.482 -0.100 50 20 HBGD CC(=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779371203 RBBLHWVPJMDFJJ-DNVCBOLYSA-N 403.439 -0.598 50 20 HBGD C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)n1cccn1 1784517627 BLRPDVNLVTZDPX-QRWLVFNGSA-N 412.255 -0.732 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCCS3)C2)C1 1784790685 NOZCTLBSJHQTBB-VQIMIIECSA-N 404.297 -0.295 50 20 HBGD CC(C)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]2C1 1786799132 TVKWYFZOPYNYQO-XUXIUFHCSA-N 402.923 -0.176 50 20 HBGD Cc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)o1 1795736828 KBIKUXMXYRWMSX-CWPLJXCYSA-N 412.251 -0.286 50 20 HBGD CCNC(=S)NCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796189903 CFCLOUWXZNIHLX-MUJYYYPQSA-N 418.328 -0.898 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc(O)nc1O 1796789910 UQZIYAQIKVCMDL-ZSBIGDGJSA-N 406.443 -0.487 50 20 HBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)Nc1cccnc1)C2 1800977353 YBNQDQXOVGRIRB-NEBZKDRISA-N 410.858 -0.137 50 20 HBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)N1CCN(C)CC1)C2 1800977871 ZXQDPVUWROXKHK-KSWRQPAISA-N 416.950 -0.534 50 20 HBGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CC(O)C3)C2)C1 1840030215 DUAOHIOORMLYJF-OCLKLICZSA-N 405.289 -0.003 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn(C)c3)C2)C1 1840183720 VXAJITVCWABKNR-FQEVSTJZSA-N 421.498 -0.532 50 20 HBGD COc1ccc([C@H](O)C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)cc1 1843010335 FMSWXEPKHCNQKN-IBGZPJMESA-N 424.262 -0.074 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)C(=O)Nc2cccnc2)C1 1844342852 UDCYNXKXNCDRBW-UHFFFAOYSA-N 402.455 -0.404 50 20 HBGD NC(=O)[C@H]1CCCN(CCCNC(=O)NNC(=O)CNC(=O)c2cccs2)C1 729499775 YTKQCUPYNMUJSU-LBPRGKRZSA-N 410.500 -0.604 50 20 HBGD O=C(NCCNS(=O)(=O)c1cccnc1)NNC(=O)c1ccc2c(c1)OCCO2 746325100 ANZUSWDVLRMQFT-UHFFFAOYSA-N 421.435 -0.225 50 20 HBGD CC(=O)N1CC[C@](C)(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)C1 747090501 DZHYXYCKXQCAIW-KXBFYZLASA-N 405.407 -0.225 50 20 HBGD O=C(NNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1)C(=O)N1CCCC1 749223761 KUYFCDVVYXLWSJ-NSHDSACASA-N 400.482 -0.329 50 20 HBGD COCC[S@@](=O)Cc1cccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 756615136 WJKZWRQPUUIGDW-RPHGYIDUSA-N 420.513 -0.328 50 20 HBGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)C(=O)Nc1cccc(-n2cnnn2)c1 763572251 MENAJDJTQZZETB-OAHLLOKOSA-N 409.362 -0.412 50 20 HBGD CC1CCC2(CC1)NC(=O)N(CC(=O)NNC(=O)CNC(=O)c1cccnc1)C2=O 763824359 IWWBREAKLODKKY-UHFFFAOYSA-N 416.438 -0.541 50 20 HBGD CCn1nnnc1-c1cccc(NC(=O)C(=O)NNC(=O)[C@H](C)OCCOC)c1 764397755 BSILCBNAAXDRDS-NSHDSACASA-N 405.415 -0.503 50 20 HBGD C[C@@H](NC(=S)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1cccs1 764516894 XCJFWQVKDOFQBB-SECBINFHSA-N 421.508 -0.248 50 20 HBGD CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NNc1nc(O)c2cnn(C)c2n1 770371002 LRVLKFFRQVXXGH-LBPRGKRZSA-N 405.463 -0.362 50 20 HBGD CCCCn1ncc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1C 772478463 YKVYDNCNJNXNSQ-UHFFFAOYSA-N 416.442 -0.800 50 20 HBGD CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NNC(=O)CNC(=O)OC(C)(C)C)CC1=O 778433499 MZBONRJNSHEFQK-UONOGXRCSA-N 411.503 -0.009 50 20 HBGD C[C@H](C(=O)NNC(=O)CNC(=O)OC(C)(C)C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 778442261 UVGLZOHOXLQXGH-NPNZPCOPSA-N 410.427 -0.791 50 20 HBGD COc1ccc(C(=O)NNC(=O)COC(=O)[C@H]2CCCN(C(N)=O)C2)cc1OC 792266595 KCZKDFKBGMDWMP-LBPRGKRZSA-N 408.411 -0.201 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C2(S(C)(=O)=O)CCC2)cc1 792803857 GQDVSZJFDYGDBJ-UHFFFAOYSA-N 417.509 -0.270 50 20 HBGD CN(CCO)S(=O)(=O)c1ccc(C(=O)NNC(=O)COc2ccccc2O)cc1 798325532 MPCUINGEGCDMLO-UHFFFAOYSA-N 423.447 -0.155 50 20 HBGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)Nc1ccccc1CN1C(=O)CNC1=O 813820870 LFLIDLLGWNPXRJ-LBPRGKRZSA-N 412.410 -0.255 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CNC(=O)NCc2ccco2)c1 917908615 DIFPUAOHBYYQBZ-UHFFFAOYSA-N 423.451 -0.210 50 20 HBGD O=C(CCN1CCCS1(=O)=O)NNC(=O)c1csc(N2CCOCC2)n1 918203615 DMKMUTINXFUPOO-UHFFFAOYSA-N 403.486 -0.834 50 20 HBGD C[S@@](=O)CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1319242895 HGWGUNRYBJJKRO-AREMUKBSSA-N 418.497 -0.970 50 20 HBGD CN(C)S(=O)(=O)CCNC(=O)NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 1323960186 GZIMBZJFOFUUIL-UHFFFAOYSA-N 421.520 -0.145 50 20 HBGD CO/C=C(\C)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1778841647 ZPOVOVFWBXGMQT-YFPIXMDGSA-N 403.439 -0.321 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)C(F)(F)Cl)CCO2 1779034280 QIDLEQYEHBGOFX-HNNXBMFYSA-N 417.800 -0.040 50 20 HBGD C[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CN3CCOCC3)CCO2)C1 1783533459 WOKOLSWIRGQYIT-CJNGLKHVSA-N 404.305 -0.068 50 20 HBGD CC(=O)C[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1783823757 HCDIRVOFEPMTJG-VLIAUNLRSA-N 402.256 -0.575 50 20 HBGD CN[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2)C(=O)O 1795645328 JGPXLIHMLGGKBG-YYTHCXKUSA-N 410.240 -0.671 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CNC(=O)O1)C2 1796890871 NQHMBKMHSXLDDC-OEQBCIRUSA-N 416.438 -0.133 50 20 HBGD Cc1ncccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797749564 FAFZAPPHMMNYBR-ZSBFGKGUSA-N 424.461 -0.094 50 20 HBGD C[C@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CNC1=O)C2 1799273612 DSJUSOAPPMODJO-SKILGCBUSA-N 421.281 -0.636 50 20 HBGD Cc1ccn(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)n1 1801009617 SHOAHJUBAGYWBA-CCWDJLKJSA-N 406.487 -0.846 50 20 HBGD O=C(NC[C@@H]1CCN(C(=O)C2CC(O)C2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807361366 WVGXUTCTRAKBCA-KTLDDFEXSA-N 423.278 -0.148 50 20 HBGD O=C(N[C@@H]1CCc2nc(NC(=O)[C@H]3C[C@@H](O)C3)sc2C1)c1cccc(B(O)O)c1 1818658588 YJFHJYXTFRUHSP-BNOWGMLFSA-N 415.280 -0.180 50 20 HBGD CN1CCC(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)CC1 1830720081 SHXGCOVXUKOKKS-APWZRJJASA-N 417.934 -0.226 50 20 HBGD NC(=O)NCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1832936560 YPNGFOYYQXCOEA-KRWDZBQOSA-N 416.287 -0.732 50 20 HBGD Cn1ccc(=O)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1838531788 GRWQKPJPCYPYKC-YOEHRIQHSA-N 401.822 -0.010 50 20 HBGD C[C@H](NC=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1839154169 FDBPYZAVOUUJKE-VBNZEHGJSA-N 410.298 -0.186 50 20 HBGD O=C(/C=N/O[C@H]1CCCCO1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014291 UQGSSHWNCCFDHZ-YPKZHZFPSA-N 415.255 -0.288 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2ccc3nncn3c2)C1 1844087263 KGBBCDFEOWCXQP-UHFFFAOYSA-N 405.223 -0.460 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)COc2cccnn2)C1 1846593161 CJGRJWWYMBPGOI-UHFFFAOYSA-N 411.422 -0.629 50 20 HBGD Cc1nc([N+](=O)[O-])cn1CC(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 728335544 ABBXGVFFUVQSQB-CYBMUJFWSA-N 419.350 -0.370 50 20 HBGD O=C(COCc1ccccc1)NNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 737922764 BOQQFSAOFCRTNB-KRWDZBQOSA-N 404.467 -0.469 50 20 HBGD O=C(Cn1ccc([N+](=O)[O-])n1)NNc1ccccc1S(=O)(=O)N1CCOCC1 744619427 OEZQXXRZZKBBSV-UHFFFAOYSA-N 410.412 -0.045 50 20 HBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 746235448 WPJFOKACVZWTJQ-JTQLQIEISA-N 406.424 -0.820 50 20 HBGD C[C@@H]1CN(CCC(=O)NNC(=O)c2ccc(CNS(C)(=O)=O)o2)C[C@@H](C)O1 754013362 BLZVNIMDTUQLJG-VXGBXAGGSA-N 402.473 -0.411 50 20 HBGD CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C(=O)NNC(=O)CN(C)C 764210345 AUWDZUGWFXSIEV-UHFFFAOYSA-N 406.487 -0.515 50 20 HBGD Cc1ccc(-n2nc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc2C)cc1 764233277 UGJHMOJMWOJMGX-GFCCVEGCSA-N 422.467 -0.487 50 20 HBGD NC(=O)NCCCCCC(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765735879 MMCFERVYXDPKLP-UHFFFAOYSA-N 418.498 -0.180 50 20 HBGD C[C@]1(C2CC2)NC(=O)N(CC(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)C1=O 772196656 MEOGWXRHCGHJFN-GOSISDBHSA-N 421.841 -0.176 50 20 HBGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)CNS(=O)(=O)c2cccnc2)c1 810106609 NTJGOKQHYIDZQN-UHFFFAOYSA-N 412.449 -0.775 50 20 HBGD CNC(=O)NCCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 814194028 JHJHKLZDLMFQPW-UHFFFAOYSA-N 411.484 -0.059 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N 815569444 UHFNVJBBAHSUES-QMMMGPOBSA-N 415.497 -0.059 50 20 HBGD CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919885634 MDOVXOHEHWTCDC-NEPJUHHUSA-N 410.518 -0.902 50 20 HBGD COc1ccc(N2C[C@@H](C(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2=O)cc1 919888211 AVIUNCNOFPCSRO-NWDGAFQWSA-N 410.452 -0.434 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)cc1C 920240534 WQPYRVLKWYKLEF-CQSZACIVSA-N 411.484 -0.004 50 20 HBGD C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)NNC(=O)CN1CCCC1=O 920435964 RJLRHLMXTQCSJB-FQEVSTJZSA-N 413.434 -0.245 50 20 HBGD O=C(NCCCN1C(=O)CCC1=O)NNC(=O)c1csc(N2CCOCC2)n1 1251683177 LSNMYFHBLQKFIT-UHFFFAOYSA-N 410.456 -0.537 50 20 HBGD O=C(CN1CCN(CCI)CC1)N[C@@H]1CCS(=O)(=O)C1 1255808458 ZLVLGQYVKIJXQZ-LLVKDONJSA-N 415.297 -0.658 50 20 HBGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CS(C)(=O)=O)C2 1782170341 IRFFHCQOHOXYOV-XJKCOSOUSA-N 410.920 -0.201 50 20 HBGD O=C(Cc1ccccc1O)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1783235657 VHODORUNDUPXLN-JOCHJYFZSA-N 424.262 -0.242 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)c1ccco1)CCO2 1783933380 WKDUHUYKQWBMJL-PKOBYXMFSA-N 408.455 -0.484 50 20 HBGD COc1nn(C)cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784086281 JKVJLUODXIDKBG-VTPLQMEGSA-N 400.863 -0.378 50 20 HBGD CCC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)CCC(N)=O)C[C@@H]21 1784615717 PTHZVBNWLSRUQT-RMEBNNNOSA-N 402.923 -0.034 50 20 HBGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)NC1)C2 1800754183 HZALQEWSWSDMQU-MPLKPFFPSA-N 402.289 -0.114 50 20 HBGD COC[C@@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CCS(=O)(=O)CC1)C2 1802273396 LJJBSEPAYQJHNM-LXTVHRRPSA-N 421.947 -0.391 50 20 HBGD Cc1ccn(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)n1 1830726178 OXIJJTWNSGPEBW-PBHICJAKSA-N 400.863 -0.752 50 20 HBGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1834819425 OGBSAVRQDKXXPD-RISCZKNCSA-N 413.696 -0.173 50 20 HBGD Cn1cc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cn1 1835986401 QREJAUGIYBXGCZ-CRAIPNDOSA-N 414.890 -0.591 50 20 HBGD C[C@H](NC=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1839163281 JRCOENZTKLZZLR-MAZHCROVSA-N 410.298 -0.186 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)COCCO)CCO2)C1 1839194481 MIXYMAKWCIVRAU-HZPDHXFCSA-N 413.298 -0.312 50 20 HBGD O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1840043798 UWDLWDFSBBLDBU-OCCSQVGLSA-N 407.192 -0.779 50 20 HBGD Cc1cnn([C@H](C)C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1 1840400690 CJGGUMKEZDYYCZ-IIDMSEBBSA-N 414.890 -0.191 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)CCNC(=O)c1ccc[nH]1)C2 1846384178 NNTATTKAMFIAHU-UHFFFAOYSA-N 418.498 -0.289 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Cc2cccc3ccccc23)n(C)c1=O 12060885 BNDXYMIDQBXORI-UHFFFAOYSA-N 420.429 -0.023 50 20 HBGD Cc1cc(C)cc(OCC(=O)NNC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)c1 15878966 FKWIINKLXRHKDT-UHFFFAOYSA-N 414.422 -0.723 50 20 HBGD NC(=O)c1ccc(OCC(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1 148076306 IADRBKKNPNDFQJ-UHFFFAOYSA-N 405.436 -0.081 50 20 HBGD Cc1csc([C@@](O)(CC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)C(F)(F)F)n1 729276906 NZRYUBMTFDIIRA-HQJQHLMTSA-N 418.419 -0.323 50 20 HBGD O=C(CCNS(=O)(=O)c1cccc(Cl)c1)NNC(=O)[C@H]1CCS(=O)(=O)C1 732307459 FNSBIHYKNCCKEP-JTQLQIEISA-N 423.900 -0.410 50 20 HBGD COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)NNC(=O)N2CCOCC2)c1 745833913 IBESHSOXTJFWMF-UHFFFAOYSA-N 401.397 -0.505 50 20 HBGD Cc1c(F)cc(C(=O)O)cc1S(=O)(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 751272425 VJTMWCMQEMJPPU-SECBINFHSA-N 409.417 -0.488 50 20 HBGD O=C(NNC(=O)c1ccnc(O)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1 760225099 RBWYBXFHZORBBR-UHFFFAOYSA-N 406.420 -0.117 50 20 HBGD C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNC(=O)CSc1ccccc1O 764046598 HCSYSJLQFGFSFK-JTQLQIEISA-N 413.481 -0.268 50 20 HBGD COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)C2CCC2)cc1 764335021 JPSYWSKOWPTGFD-LLVKDONJSA-N 412.468 -0.114 50 20 HBGD CC(C)(C)OC(=O)N[C@@H]1CCc2ncc(NC(=O)C(=O)NNC(=O)CO)cc2C1 764427758 BNZNHUVSJWHASH-LLVKDONJSA-N 407.427 -0.458 50 20 HBGD C[C@@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)[C@@H]1CN(C)CCO1 770436751 ZRXLXRJDGSMWBE-DOMZBBRYSA-N 413.500 -0.400 50 20 HBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F 772012359 KAHUEKNYIVQYIP-CORIIIEPSA-N 409.414 -0.181 50 20 HBGD COC(=O)CCN1CCN(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)[C@@H](C)C1 774658276 GMHJRJJOXLLVGM-ZDUSSCGKSA-N 416.442 -0.414 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)COC1(C)CN(C(=O)OC(C)(C)C)C1 783891446 YURMUDZYGNFOBB-JTQLQIEISA-N 408.477 -0.903 50 20 HBGD CC(C)NC(=O)NC1(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)CCCCC1 792086636 WTWONRMKFUQDBW-GFCCVEGCSA-N 403.505 -0.086 50 20 HBGD CN(C)N(C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 792855429 RTXMVIWVLFFKEN-CQSZACIVSA-N 413.456 -0.114 50 20 HBGD Cc1cccc(C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)n1 794084571 GDQQVPUOTDHUAI-NSHDSACASA-N 405.436 -0.383 50 20 HBGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1cc(F)c(N2CCOCC2)cc1F 806980610 RRNWJCGCTOSGNI-CQSZACIVSA-N 414.365 -0.697 50 20 HBGD CC(=O)N1CCCc2ccc(S(=O)(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)cc21 1339272994 QLHCSGPJYYAXMG-ZDUSSCGKSA-N 415.493 -0.270 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3cccc(F)n3)C2)C1 1779486982 SYRWIUMCLJQLGM-FQEVSTJZSA-N 413.214 -0.342 50 20 HBGD Cc1nccn1CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1782774371 IFBZIMHIVVHUES-HXUWFJFHSA-N 412.255 -0.985 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 1783585041 BEFABDURMGKKJJ-DCXXXQMHSA-N 414.267 -0.623 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Cl)C[C@@H]21)c1cc2n(n1)CCNC2=O 1786258763 AMKNUMBULKYXBN-NUZBWSBOSA-N 413.837 -0.246 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCSCC1)c1cccc(B(O)O)c1 1792538484 BNRQIWMPMAVOFQ-BCDXTJNWSA-N 417.340 -0.333 50 20 HBGD CC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCNC2=O 1794973576 QDCQFLWTAQZVOK-NWJSVONSSA-N 409.874 -0.153 50 20 HBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Cl)C2 1797786294 HWARBHDEIFNEGP-ITGHMWBKSA-N 408.810 -0.395 50 20 HBGD C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1829766373 VLESLYGGMYBZBX-NSWPXQNRSA-N 403.838 -0.164 50 20 HBGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1)N1C[C@H]2C[C@@H]2C1 1830731263 JETFAENYJBWKTM-DINLJIAVSA-N 415.918 -0.617 50 20 HBGD CCn1nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc1C 1830732610 ULYMKLFJNBOCED-QAPCUYQASA-N 414.890 -0.119 50 20 HBGD CCc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)n(C)n1 1830733060 ZZPZESFXHBTHHS-CRAIPNDOSA-N 414.890 -0.348 50 20 HBGD O=C(c1cccc(=O)n1O)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840186842 WMYDZUXQGXENNQ-INIZCTEOSA-N 420.249 -0.041 50 20 HBGD Cn1c(=O)c2c(ncn2CCC(=O)NNC(=O)Cc2ccc(Cl)cc2)n(C)c1=O 16203812 SGAXLAYZICCFRT-UHFFFAOYSA-N 418.841 -0.133 50 20 HBGD CCn1nc(C(=O)NNC(=O)c2ccc(=O)n(CCOC)n2)c2ccccc2c1=O 30065584 ITQMEUAZENCHNI-UHFFFAOYSA-N 412.406 -0.306 50 20 HBGD CN1CCN(C[C@H](NC(=O)NNC(=O)C(=O)N2CCCC2)c2ccccc2)CC1 727945435 JJTUFMGMLPVTCC-KRWDZBQOSA-N 402.499 -0.072 50 20 HBGD O=C(CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1)NNC(=O)c1cnn[nH]1 729457333 IDCOHTJOROWQCH-UHFFFAOYSA-N 407.456 -0.002 50 20 HBGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)c1cnn(C)c1 735446048 RHUXFTBWIPCVKS-UHFFFAOYSA-N 423.451 -0.476 50 20 HBGD CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)N2CCOCC2)cc1 745834320 OHUIWFUWRDJAPP-UHFFFAOYSA-N 420.513 -0.048 50 20 HBGD Cc1cc(C)c(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 755004080 WNWXEYKWUZVSJN-SNVBAGLBSA-N 406.442 -0.109 50 20 HBGD C[C@@H]1CC(=NNC(=O)C[C@@H](C(=O)NN=C2C[C@@H](C)N(C)C2)N2CCOCC2)CN1C 761811253 DPJILYOREIKBBY-RKVPGOIHSA-N 421.546 -0.530 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CNC(=O)c2cccnc2)c1 763821845 YCOFBHFEZRSDGB-UHFFFAOYSA-N 405.436 -0.477 50 20 HBGD CNC(=O)Cn1nc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)cc1C 763848645 DZUUNGUAQIUHNJ-NSHDSACASA-N 420.401 -0.370 50 20 HBGD COC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)Cn2nc(C)cc2C)c1 763880189 CCCPALVQCCVIMD-UHFFFAOYSA-N 403.395 -0.162 50 20 HBGD NC(=O)Cn1cc(NC(=O)C(=O)NNC(=O)CCSc2ccc(F)cc2)cn1 763903257 QHKRYBVYXLWHEL-UHFFFAOYSA-N 408.415 -0.224 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 776138211 JSMCVDSTDOLYFJ-SNVBAGLBSA-N 415.428 -0.870 50 20 HBGD Cc1cccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)n1 794086869 XTNJNTSVQBLVEH-GFCCVEGCSA-N 417.447 -0.148 50 20 HBGD COC(=O)c1cccc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)c1OC(C)C 799261980 IDUSNSDTWPJBBU-UHFFFAOYSA-N 420.422 -0.031 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)cc1 801109256 XUPIQQFHFKOLBR-UHFFFAOYSA-N 410.390 -0.660 50 20 HBGD CN1CCN(C(C)(C)CNC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CC1 916258653 CUMSCIBJJUNTBM-UHFFFAOYSA-N 401.475 -0.368 50 20 HBGD O=C1CCC(=O)N(c2ccc(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)cc2)N1 920287532 DWXGZWZZJWJBTD-UHFFFAOYSA-N 420.389 -0.105 50 20 HBGD CCNC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](Cl)COC)C2)C1 1783878376 XOZMHICGUKFAPW-PBFPGSCMSA-N 404.895 -0.222 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(N)s3)[C@H]2C1 1786935678 PSAIAPQJLZIAAN-AVGNSLFASA-N 424.527 -0.308 50 20 HBGD Cc1nc(C)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)o1 1798141682 FMHHFFZUOMUWFA-SCAQPMJSSA-N 413.239 -0.512 50 20 HBGD C[C@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)N1CCOCC1)C2 1799277155 SHJFEHYVIXHAJA-RFJMFJJWSA-N 424.325 -0.537 50 20 HBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccc(O)nn1)C2 1800979463 IZTDNQJVWQSLNZ-BUWBCJGYSA-N 414.846 -0.596 50 20 HBGD O=C(NC[C@H]1CCN(C(=O)c2ncon2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807360747 LWWMNTWUBVAERA-WBVHZDCISA-N 421.222 -0.222 50 20 HBGD C[C@H](NC=O)C(=O)NC[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1808388341 JETQLZFKXMJZQB-URLQWDBASA-N 418.498 -0.405 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCC2(CCCN(C(=O)Cn3cnnn3)C2)CC1 1810157659 SWCFUVMRSZJKBB-UHFFFAOYSA-N 406.491 -0.723 50 20 HBGD Cc1nn[nH]c1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1836302924 UGIVNGJLDSHLMF-RISCZKNCSA-N 420.239 -0.126 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)CSC(=N)N)C2)C1 1837711854 UBSMLHJGULBJQG-MRXNPFEDSA-N 418.592 -0.079 50 20 HBGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(C)=O)CCO2)C1 1839861000 ZNDRRJSLHXHVON-CJNGLKHVSA-N 420.304 -0.248 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 1840153796 AWOQCQODTYWLEJ-CRAIPNDOSA-N 413.858 -0.356 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2cc3n(n2)CCCO3)C1 1844072039 YDLHCXNWSIOXKK-UHFFFAOYSA-N 410.239 -0.524 50 20 HBGD COc1ccc(C(=O)NNC(=O)CN2CCN(S(C)(=O)=O)CC2)cc1OC 29144281 RMQVLPBWNHUESI-UHFFFAOYSA-N 400.457 -0.958 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)NC[C@@]1(N2CCOCC2)CCSC1 726235995 AVHDMYMTCNCSTD-KRWDZBQOSA-N 411.484 -0.452 50 20 HBGD CN1CCO[C@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)C1 746092823 FBRTUEPIBITEBT-INIZCTEOSA-N 410.496 -0.047 50 20 HBGD C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 755067368 ZKTOEVLADRKRPU-GHMZBOCLSA-N 406.457 -0.182 50 20 HBGD Cn1cnc(S(=O)(=O)NCC(=O)NNC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)c1 763173013 GAFGCAHRBTTWLL-UHFFFAOYSA-N 421.414 -0.311 50 20 HBGD COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)NNC(=O)C(C)C 763820636 LZQZEJGWXSCTFD-UHFFFAOYSA-N 405.455 -0.175 50 20 HBGD C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NNC(=O)CNC(=O)c1cccnc1)C2=O 763825061 PNVCQWLCVFIFIO-BUXKBTBVSA-N 416.438 -0.541 50 20 HBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNS(=O)(=O)c1cncc(F)c1 765119636 ZABVESLSMYSGJD-UHFFFAOYSA-N 421.454 -0.012 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc3c(c2)CCCC3)n(C)c1=O 765725022 OKXVKCJNUISXTB-UHFFFAOYSA-N 410.434 -0.226 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NN(C)C(N)=O)CC2)cc1 770534444 NHDGSALOMSMJHJ-UHFFFAOYSA-N 411.484 -0.350 50 20 HBGD O=C(CCn1cnccc1=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 794392505 HLJLIRULGZKDEX-UHFFFAOYSA-N 412.450 -0.761 50 20 HBGD C#CCOc1cc(F)ccc1NC(=O)C(=O)NNC(=O)[C@H]1CCc2nncn2C1 815692598 VOBOGJNRGOOCFB-NSHDSACASA-N 400.370 -0.222 50 20 HBGD CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)NNc1ccccc1S(=O)(=O)N(C)C 817053075 BORFYDCIIRBQBV-CYBMUJFWSA-N 413.500 -0.214 50 20 HBGD COCCO[C@H]1C[C@@H](CO)CN(CC(=O)NNC(=O)Cc2nc(C)cs2)C1 1320859277 QYGSUQJRXFHPQN-KGLIPLIRSA-N 400.501 -0.513 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]2C1 1786802377 KKBBWNPHVRTPEK-VIMZNKNYSA-N 423.341 -0.205 50 20 HBGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCOC3=O)C[C@@H]21 1791249972 VIFOVPOTVSLOFM-FQUUOJAGSA-N 403.863 -0.328 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@]3(C)CCCN3)C[C@@H]21 1791290803 NHGKLVYXJNTFNG-ZKNHNOBHSA-N 409.531 -0.519 50 20 HBGD C[C@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(N)=O)[C@H]2C1 1792278183 JDMMAYDTWPGQGX-RHYQMDGZSA-N 405.293 -0.335 50 20 HBGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)N(C)C)C2 1792867050 UHHMRFRZRITZTN-NRWUCQMLSA-N 419.320 -0.122 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)c1ccccc1)C2)c1cccc(B(O)O)c1 1795737528 RPHZHRAOFWPWSM-IZZQQSIFSA-N 422.246 -0.548 50 20 HBGD CN(C)C(=O)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1806939218 KOVOZPSMTNBCPT-WMZOPIPTSA-N 424.266 -0.831 50 20 HBGD C[C@H](NC=O)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1808359615 DJQYIYAVNJVHTO-FNHZYXHNSA-N 424.266 -0.785 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)Cn3ccnn3)sc2C1 1815783412 WSIFWKUHJUGYJV-NSHDSACASA-N 420.499 -0.280 50 20 HBGD COc1nccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1833502576 NGENVPPEDHBNAQ-SJKOYZFVSA-N 414.846 -0.845 50 20 HBGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](N)CCC(N)=O)CCO2)C1 1835557211 AGNOUSQNHBWCGW-DEYYWGMASA-N 418.922 -0.557 50 20 HBGD C/C=C/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839834302 XVQJXGYWWSSHRX-YFMDCFRWSA-N 414.267 -0.431 50 20 HBGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CNC(=O)C1)CCO2 1839868011 RBGSICVPVMZUPQ-GLJUWKHASA-N 401.891 -0.014 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3noc(C)n3)C2)C1 1840150768 RMHIUYRFQHMEGV-DYVFJYSZSA-N 416.862 -0.369 50 20 HBGD Cc1nc2nc(N)nn2c(C)c1CC(=O)NNC(=O)CNC(=O)c1cccs1 725902186 JFBCSVAUZYELTQ-UHFFFAOYSA-N 402.440 -0.495 50 20 HBGD CC(C)(C)OC(=O)N1CCC(NC(=O)NNC(=O)CN2CCCS2(=O)=O)CC1 734824629 GLSAONXCOCQURE-UHFFFAOYSA-N 419.504 -0.248 50 20 HBGD CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NNC(=O)C(=O)NC(C)C 744446476 AAARRCBMEJJYSJ-CYBMUJFWSA-N 423.495 -0.188 50 20 HBGD CCC1(C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)COC1 766635677 CHVPZPBDBOHLFO-UHFFFAOYSA-N 424.523 -0.125 50 20 HBGD Cn1c(=O)c2c(ncn2CCC(=O)NNc2ncnc3ccsc23)n(C)c1=O 766676452 MGYFFPUXXGIHLX-UHFFFAOYSA-N 400.424 -0.028 50 20 HBGD COCCCS(=O)(=O)N1CCN(CC(=O)NNC(=O)c2ccc(F)cc2)CC1 770255641 ZVWCZKVVQTUOOY-UHFFFAOYSA-N 416.475 -0.429 50 20 HBGD CCCCn1c(=O)nc(O)c2c1nc(CCC(=O)NNC(=O)CO)n2CC(C)C 777781907 RGSUXSQGPHCRHL-UHFFFAOYSA-N 408.459 -0.173 50 20 HBGD Cn1nccc1COCC(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 792487769 MYRSIYMUJPUZGP-HNNXBMFYSA-N 404.379 -0.533 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cc(Cl)cc2c1OCC(=O)N2 806755409 POKHYSWZUMCEEM-LURJTMIESA-N 405.820 -0.239 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@@H]2CCc3nnn(C)c3C2)cc1 809983380 IDVYMFKELXYTMG-CYBMUJFWSA-N 420.495 -0.303 50 20 HBGD O=C(CNS(=O)(=O)c1ccccc1C(F)(F)F)NNC(=O)C(=O)N1CCCC1 810275332 MIJLHBRVVJKCAY-UHFFFAOYSA-N 422.385 -0.247 50 20 HBGD Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 810345396 GULAIVQQLFLIHP-YFKPBYRVSA-N 405.786 -0.051 50 20 HBGD COCc1cc(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)no1 1252256944 YIDYUOJPLPUYPT-UHFFFAOYSA-N 410.456 -0.091 50 20 HBGD Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 1317894827 IIPSFFKTXKBISJ-CYBMUJFWSA-N 422.511 -0.130 50 20 HBGD O=C(NC1CC1)c1cccc(S(=O)(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 1337568891 OQQJPHZKIXWFBV-NSHDSACASA-N 401.466 -0.677 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCCCO1)CCO2 1779029833 ZNJQARBZYFKPLA-JXFKEZNVSA-N 417.466 -0.302 50 20 HBGD Cc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)n[nH]1 1788693065 AGVXZBAMTMYOPA-XIRDDKMYSA-N 420.514 -0.387 50 20 HBGD CCC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)COC1 1790741249 WDTPSNNIZYZMOB-SZMVWBNQSA-N 416.283 -0.614 50 20 HBGD Cc1noc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)n1 1791289023 BTXCDTVBKYJYAW-KKUMJFAQSA-N 422.486 -0.727 50 20 HBGD C[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)N1C[C@H]2C[C@H]2C1 1796188818 RZXFDNBWMLINPK-WVGHKPTNSA-N 411.311 -0.042 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2ncccn2n1)c1cccc(B(O)O)c1 1798033938 LAKCFAAKMPRRAE-BJWYYQGGSA-N 419.250 -0.025 50 20 HBGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)c1ncon1)CC2)c1cccc(B(O)O)c1 1815361095 XCGUXKMTUDZNQE-NSHDSACASA-N 413.224 -0.255 50 20 HBGD CN(C)C(=O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1817171257 VMFFUQZLVABFLD-HNNXBMFYSA-N 413.243 -0.516 50 20 HBGD O=C(c1coc(Cl)n1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830725235 MBURJBRSWSHADZ-XHDPSFHLSA-N 408.238 -0.002 50 20 HBGD COc1nn(C)cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830725454 OOQFBBOYYFDIQC-CXAGYDPISA-N 416.862 -0.902 50 20 HBGD CCOC(=O)C1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H](O)CCl)CCO3)C2)CC1 1830735103 CYPIUEJGERBQFP-GUYCJALGSA-N 418.874 -0.614 50 20 HBGD CNC(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1831279539 KXZCXEZOOUGFAX-IAQYHMDHSA-N 406.277 -0.638 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CNC(=O)O3)CCO2)C1 1831573165 ACDBKLBYBFMEBZ-IUIKQTSFSA-N 424.281 -0.213 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nccn3C)CCO2)C1 1834401053 ISJWGQDQUJGXDE-DYVFJYSZSA-N 400.863 -0.256 50 20 HBGD O=C(c1ccc2ncnn2c1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837164653 LOEDQBCZUXJPAG-KSSFIOAISA-N 423.857 -0.601 50 20 HBGD CCn1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cc1C 1838146641 WOAFWKQSRHSIDP-YJBOKZPZSA-N 414.890 -0.119 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCC3)C2)C1 1840149330 LWLNTPUNCWQKGU-YJBOKZPZSA-N 403.907 -0.208 50 20 HBGD CCN(CC)S(=O)(=O)c1ccc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 16785669 WHFKDEZKLYWGRQ-ZDUSSCGKSA-N 417.509 -0.087 50 20 HBGD COC(=O)c1ccc(F)c(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 146200733 OMPYKMIKBVDLOU-SECBINFHSA-N 409.417 -0.708 50 20 HBGD N#Cc1ccc(OCC(=O)NNC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)cc1 742471983 VWVLNAQSSPEUIB-UHFFFAOYSA-N 416.415 -0.343 50 20 HBGD COCCOC[C@@H](C)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 745864532 RVTXRQQXHJJXNU-GFCCVEGCSA-N 402.473 -0.068 50 20 HBGD COc1ccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)c1 756318943 ANRJTWNVEZGDCD-UHFFFAOYSA-N 415.410 -0.396 50 20 HBGD CC(=O)N[C@H](CC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1ccc(F)cc1F 758038381 DILCCQIJNADGNI-ISVAXAHUSA-N 406.411 -0.383 50 20 HBGD CCN(CC(=O)NNC(=O)c1ccc(C)cc1)CC(=O)N[C@H]1CCS(=O)(=O)C1 762268194 FJFVIBXRPVBPMR-HNNXBMFYSA-N 410.496 -0.619 50 20 HBGD CCN(CC)c1ccnc(NNC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)n1 762908296 XPEOWRDHLXZVCC-UHFFFAOYSA-N 400.443 -0.031 50 20 HBGD COC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)Cn2nc(C)cc2C)c2ccccc2O1 763884272 FBBDYRUCIOJPOL-HNNXBMFYSA-N 415.406 -0.385 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(Oc2ccncc2)cc1 764229684 BOVAGCFJBAUXKJ-NSHDSACASA-N 421.435 -0.103 50 20 HBGD Cc1ccc(Cn2cccc(NC(=O)C(=O)NNC(=O)[C@@H]3COCCO3)c2=O)cc1 764434507 QIAUWNIJKQEAAE-INIZCTEOSA-N 414.418 -0.294 50 20 HBGD C#CCCOc1ccc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 764812386 KBBWCHCXNAMGOI-UHFFFAOYSA-N 408.418 -0.014 50 20 HBGD COc1ccc(-c2cc(C(=O)NNC(=O)CCNS(C)(=O)=O)n[nH]2)cc1OC 768276534 KKIXMMSBTOJTOM-UHFFFAOYSA-N 411.440 -0.206 50 20 HBGD Nc1ccccc1S(=O)(=O)NCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 774326083 GWLHGBKHKNWREN-AWEZNQCLSA-N 406.420 -0.466 50 20 HBGD Cn1cc([C@@H]2[C@@H](C(=O)NNC(=O)C(=O)N3CCCC3)CC(=O)N2C(C)(C)C)cn1 795059868 DMUSBZHENHETCM-DZGCQCFKSA-N 404.471 -0.122 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CCN(C)C(=O)OCc1ccccc1 795081473 SLBSOVULXZBJOW-LBPRGKRZSA-N 400.457 -0.270 50 20 HBGD O=C(COC(=O)[C@@]12CCC(=O)N1CCS2)NNC(=O)[C@H]1COc2ccccc2O1 804008639 YBOMZHGZIUSQRO-ACJLOTCBSA-N 421.431 -0.418 50 20 HBGD Cc1cc(C)n(CC(=O)NNC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)n1 806567570 ZXOIGJPEVRNMDQ-SNVBAGLBSA-N 414.410 -0.347 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C[C@H]1COCCN1C(=O)OC(C)(C)C 806787570 JTVBORXQGZNMML-MNOVXSKESA-N 408.477 -0.903 50 20 HBGD COCCNS(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2CCc3nncn3C2)c1 816877019 KDTMVSITKKNFNJ-ZDUSSCGKSA-N 422.467 -0.774 50 20 HBGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)c1 915077135 DXCYCPMLPRJODG-UHFFFAOYSA-N 424.460 -0.651 50 20 HBGD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NNC(=O)CN1CCCC1=O 920433624 XAEPNHINJUGYFD-UHFFFAOYSA-N 413.412 -0.967 50 20 HBGD C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1)N1C[C@H]2C[C@@H]2C1 1783935145 ODKUTNHFFSWPOO-LHUKNYEISA-N 421.542 -0.471 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(=O)ccn1C)CCO2 1783935410 QZOTXCCDLKPHJN-HXUWFJFHSA-N 419.482 -0.798 50 20 HBGD C[C@@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783937570 UTGFIVVVGXNHSO-MLGOLLRUSA-N 419.320 -0.027 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)[C@H]3CC[C@H](O)CC3)C2)C1 1784131500 CMVFDNHJTWMYJF-MDKPJZGXSA-N 416.283 -0.639 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)CC3(O)CCC3)C2)C1 1784825019 MTONPDPMNRIIGG-FQEVSTJZSA-N 417.466 -0.566 50 20 HBGD CC[C@H](C)[C@@H](N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786979572 ZWXORESPSRNKSP-LEYVVWKUSA-N 417.315 -0.667 50 20 HBGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1)n1cccn1 1795741101 ZHGCUPGMVADFFP-NYCLONFESA-N 412.255 -0.973 50 20 HBGD CC(=O)N(C)[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796189223 MJMTUVZVEREUOR-GQAVTEOGSA-N 401.272 -0.515 50 20 HBGD CCNC(=O)N[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1798380729 CTGBSCPSZFTPIJ-SJWGOKEGSA-N 416.287 -0.674 50 20 HBGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(O)nn1)C2 1800979674 ULINIBUDGGBGLJ-DMVWFOPNSA-N 412.874 -0.042 50 20 HBGD O=C(NC[C@H]1CCN(C(=O)[C@@H]2C=CCN2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807363533 OXKFGDNDFRAOEL-YZGWKJHDSA-N 420.278 -0.391 50 20 HBGD NC(=O)NCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827059612 DTOMBYVIYJYBLP-KRWDZBQOSA-N 416.287 -0.732 50 20 HBGD O=C(CC1CCOCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830724221 WULCVKKHFDINBR-MAUKXSAKSA-N 404.891 -0.141 50 20 HBGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)c3ncon3)C2)C1 1834823261 LVEBZXKALHCGED-AWEZNQCLSA-N 403.233 -0.075 50 20 HBGD O=C([C@@H](F)Br)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C=CCN1)CCO2 1836479922 QKVDANZKZODUEO-YWPYICTPSA-N 406.252 -0.339 50 20 HBGD C[C@@H]1C[C@@]1(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839086817 IDTGFNZBAOFKKW-IPHXSNPTSA-N 416.283 -0.518 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(F)F)C2)C1 1840183932 IRRJOJSNKGOUEH-KRWDZBQOSA-N 406.430 -0.529 50 20 HBGD O=C(c1n[nH]c2c1CS(=O)(=O)C2)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841350517 IIGGPLPELSEVTE-LLVKDONJSA-N 402.860 -0.745 50 20 HBGD COC(=O)C12CC(C(=O)N3CC4(CCCN4C(=O)c4ccc(B(O)O)cc4)C3)(C1)C2 1843012430 OTRXTDZOMCOYTD-UHFFFAOYSA-N 412.251 -0.473 50 20 HBGD C[C@H](CBr)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN(CCO)CCO 1847501903 HIXUWFICMNFKSC-RDBSUJKOSA-N 406.321 -0.494 50 20 HBGD CCCC[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NNC(=O)C(=O)NC1CC1 11683579 NDOXQXHLNLXJTJ-ZDUSSCGKSA-N 421.479 -0.290 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CCS(C)(=O)=O)cc2)CC1 728215255 XBEYEWWWDQOSQB-UHFFFAOYSA-N 404.514 -0.500 50 20 HBGD COc1ccc(C(=O)NNC(=O)C(=O)Nc2c(OC)ncnc2N(C)C)cc1OC 763544394 XFWSQDPOWWHZTD-UHFFFAOYSA-N 418.410 -0.032 50 20 HBGD C[C@@H](c1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)cc1)N1CCOCC1 764434468 QDEQIWJERXGDSS-BBRMVZONSA-N 406.439 -0.419 50 20 HBGD Cc1ccc2cccc(C(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)c2n1 765731576 RZKYXOPFSFSPLR-UHFFFAOYSA-N 421.417 -0.248 50 20 HBGD COCCO[C@H](C)C(=O)NNC(=O)NC1CCN(S(=O)(=O)CC(C)C)CC1 777765607 WZORXOILTPUPJI-CYBMUJFWSA-N 408.521 -0.182 50 20 HBGD COC(=O)c1cc2cc(NC(=O)C(=O)NNC(=O)C(=O)N3CCCC3)ccc2o1 784000287 UYFUBNFITAHYLD-UHFFFAOYSA-N 402.363 -0.072 50 20 HBGD Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 811917174 AHCSSCANXCGMQL-LLVKDONJSA-N 415.493 -0.369 50 20 HBGD COC(=O)N(C)CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 915801785 FMUZBBVCKHVQGY-UHFFFAOYSA-N 414.440 -0.833 50 20 HBGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CNC(=O)O1)C2 1782172137 QHHCWSHNSFPKBI-APNQJHFZSA-N 403.863 -0.138 50 20 HBGD NC(=O)CC[C@H](N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C(Cl)Cl)C1 1782215410 XNMYBJOGMZXZCI-LYOVBCGYSA-N 409.314 -0.103 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(CCN(C(=O)Cn3ccncc3=O)C2)C1 1782662951 XVIYXNWEJFZHEO-SFHVURJKSA-N 408.531 -0.075 50 20 HBGD O=C(CN1CCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1783587289 PAXPYGGDBWBPFU-WDSOQIARSA-N 415.299 -0.945 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)CSCC(=O)O)CCO2 1783937917 QIORGJIDRQEBJT-QGZVFWFLSA-N 416.500 -0.993 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)n(C)n3)[C@H]2C1 1785593687 GWPHUUTXCDWORB-YDHLFZDLSA-N 422.486 -0.908 50 20 HBGD O=C(CCBr)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCS1(=O)=O)C2 1795116602 XEXXOTBJUGZKGV-OPDFLTKYSA-N 423.329 -0.062 50 20 HBGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1)n1cccn1 1795736671 AFFGVTSJVGIPRS-NYCLONFESA-N 412.255 -0.973 50 20 HBGD CC[S@](=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1797609821 GJEGORLLVPOJLO-NYZBSXQKSA-N 416.544 -0.892 50 20 HBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C13CC(F)(C1)C3)C2 1797748470 DXIWBPGYQRCGFW-OSWFJYAVSA-N 417.441 -0.220 50 20 HBGD C[C@@H](Cn1cncn1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCC(=O)NN(C)C)C2 1798579272 BSWHUWMJIFWUOY-JONQDZQNSA-N 405.503 -0.075 50 20 HBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(O)nn1 1800180695 KWSKTNHMOXKINU-DMVWFOPNSA-N 412.874 -0.042 50 20 HBGD C[C@H](NC=O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1830327086 PFOHEFPTURWMCT-HNAYVOBHSA-N 415.299 -0.266 50 20 HBGD O=C(c1ccc2nncn2c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830730788 DUCGAHOKVSNBMV-KDOFPFPSSA-N 423.857 -0.601 50 20 HBGD C[C@H](CC(N)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1831603655 VAIAYURCIKNPRC-WBMJQRKESA-N 420.304 -0.261 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccc(C)n3)CCO2)C1 1833094082 JDCNCIBXVJIXAU-YJBOKZPZSA-N 414.890 -0.098 50 20 HBGD C[C@@H](CBr)C(=O)N1CCC(N2CCC(NC(=O)C(O)O)CC2)CC1 1833219912 HXXNFUREZNSCJT-NSHDSACASA-N 406.321 -0.100 50 20 HBGD NC(=O)[C@H](N)CCC(=O)NC1CCN(C2CCN(C(=O)[C@@H](F)Cl)CC2)CC1 1834733705 ZFIANXBJSACHKZ-UKRRQHHQSA-N 405.902 -0.315 50 20 HBGD O=C1CC(C(=O)N2CCC(OC3CCN(C(=O)[C@H](O)CCl)CC3)CC2)=NN1 1836717003 DDQQFDXKENYDSC-CQSZACIVSA-N 400.863 -0.539 50 20 HBGD CCOC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](Cl)CC)C2)C1 1837209785 VAPQHFPLRIGWFD-PBFPGSCMSA-N 421.878 -0.475 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncn3C)C2)C1 1840149793 AFNDMNNTDIQQIS-GUYCJALGSA-N 400.863 -0.256 50 20 HBGD C[C@@H](C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)S(C)(=O)=O 107528276 OTLMXWDCAJLISP-NSHDSACASA-N 403.482 -0.335 50 20 HBGD O=C(NNC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1)C(=O)N1CCCC1 725714207 UPENGBZFHZCHIX-UHFFFAOYSA-N 408.480 -0.700 50 20 HBGD O=C(CCNS(=O)(=O)c1ccc(F)cc1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 732307528 IYUCNHQIMPBALF-SNVBAGLBSA-N 407.445 -0.924 50 20 HBGD O=C(CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NNC(=S)NCCc1cccs1 743822087 CGLODGWBARKLES-HBJVGIJOSA-N 408.505 -0.052 50 20 HBGD CCOC(=O)c1cc(S(=O)(=O)NNC(=O)[C@H]2COCCO2)cc([N+](=O)[O-])c1C 745979411 PCOFQCPIFWPJKP-CYBMUJFWSA-N 417.396 -0.195 50 20 HBGD O=C(NNC(=O)N1CCN(C2CCOCC2)CC1)c1ccc(-n2cnnn2)cc1 747490280 HPHKATWQTRGPAC-UHFFFAOYSA-N 400.443 -0.187 50 20 HBGD CN1C(=O)C(=O)N(CC(=O)NNc2ccccc2S(=O)(=O)NC(C)(C)C)C1=O 748593862 MSSDCPUPOHOXRK-UHFFFAOYSA-N 411.440 -0.373 50 20 HBGD CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NNC(=O)Cc2ccc(Cl)cc2)n1 763931313 FMNKKMDNDWPUKF-UHFFFAOYSA-N 406.830 -0.047 50 20 HBGD CCOC(=O)c1cnn2c(C(=O)NNC(=O)CNC(=O)c3ccco3)ccnc12 764103176 RTAURKDSQNAULW-UHFFFAOYSA-N 400.351 -0.310 50 20 HBGD COCCCOc1cccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 764234427 XYIDMUONWCBPGJ-NSHDSACASA-N 416.456 -0.875 50 20 HBGD COc1ccc(-c2cc(C(=O)NNC(=O)Cn3ccc(O)nc3=O)n[nH]2)cc1OC 765597015 QCFQSKBWHUHUBU-UHFFFAOYSA-N 414.378 -0.183 50 20 HBGD C[C@@H](CS(C)(=O)=O)C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765739177 QLWBJUCODRZAPH-AWEZNQCLSA-N 410.496 -0.728 50 20 HBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1cnn2cccnc12 766644260 TVNNOZVKHWMDQV-UHFFFAOYSA-N 407.434 -0.052 50 20 HBGD CCN1CCN(c2ccc(NC(=O)C(=O)NNC(=O)C(=O)NC3CC3)c(C)c2)CC1 782965002 CWFODVDRJRPJBP-UHFFFAOYSA-N 416.482 -0.499 50 20 HBGD C[C@@H]1CCC(=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)[C@H](n2cncn2)C1 794525012 RXKIBIXXJACKIO-DGCLKSJQSA-N 413.442 -0.441 50 20 HBGD CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)[C@H](C)NC(=O)OC(C)(C)C 811645790 XJSNHPCGBARKNT-JTQLQIEISA-N 421.458 -0.161 50 20 HBGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)COCc3nncn3C)CC2)cc1 815827240 QQDNKHZMJPMJJG-UHFFFAOYSA-N 415.498 -0.395 50 20 HBGD C[C@H](C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1)N1C(=O)CCC1=O 916031089 JAQLBVCBTWVHRA-OAHLLOKOSA-N 401.467 -0.116 50 20 HBGD O=C(NN=Cc1c(N2CCOCC2)nc2ccccn2c1=O)[C@@H]1CCS(=O)(=O)C1 1321515346 AREAFVFYDZALQY-CYBMUJFWSA-N 419.463 -0.584 50 20 HBGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1n[nH]cc1I 1325655266 RTNNLZYTPJMHIX-UHFFFAOYSA-N 414.163 -0.400 50 20 HBGD Cn1cncc1CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1330537812 XQEBWGIKUPASTK-UHFFFAOYSA-N 422.467 -0.415 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2C[C@@H](O)C2)C1 1778766809 PLOGQDXGLYLTCF-UIVXKWKOSA-N 410.515 -0.356 50 20 HBGD CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1 1781855271 YQMAMSMGUASTOG-JKDFXYPNSA-N 421.878 -0.741 50 20 HBGD Cc1nccnc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786981086 QFENQQSDFHTCEP-SZMVWBNQSA-N 424.266 -0.628 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1cccc(=O)n1O 1796190843 SAKRODQACIBECZ-MUJYYYPQSA-N 411.223 -0.669 50 20 HBGD COC[C@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)Br)C2 1797971844 USONMMAEQQDXOS-HNGSFYKJSA-N 420.304 -0.490 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2n(n1)CCCO2)c1ccc(B(O)O)cc1 1798098428 XWYIYVOQIZMMME-BJWYYQGGSA-N 424.266 -0.089 50 20 HBGD CS(=O)(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2 1801531475 NJRQXSFBHQXXBU-RBLKWDMZSA-N 415.281 -0.299 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNC(=O)C(F)(F)F 1802382603 KKECGMXBJBXGNO-ZSBIGDGJSA-N 421.420 -0.324 50 20 HBGD C[C@H](NC=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1822888912 OANJDLJTKKPNLJ-GXFFZTMASA-N 416.268 -0.817 50 20 HBGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC=O)C2)C1 1830542720 CHMLRHHXVCYEBD-XJKCOSOUSA-N 420.304 -0.392 50 20 HBGD O=C(c1cccc(F)n1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830732039 TVGYAXKLEJTVCX-GUYCJALGSA-N 401.822 -0.110 50 20 HBGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)COCCO)CCO2 1839193062 HCRCRJRIEAZXFP-HNNXBMFYSA-N 409.277 -0.763 50 20 HBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CN(C)C3)CCO2)C1 1840572300 RKBXTULHFPAWPE-LRDDRELGSA-N 404.305 -0.212 50 20 HBGD C[C@@H](CBr)C(=O)N1CCCC12CN(C(=O)CN(C)C(=O)C(=O)O)C2 1841288991 DZBOTRACVYBSFM-JTQLQIEISA-N 404.261 -0.236 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1ccc(C(N)=O)cc1)C2 1844265572 PSSSANYOXQYQJK-UHFFFAOYSA-N 422.445 -0.085 50 20 HBGD CN(C)c1cncc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2ccc(B(O)O)cc2)c1 1848311823 CIBZCGMMCKUBHL-OALUTQOASA-N 408.267 -0.043 50 20 HBGD C[C@@]1(c2ccc(CNC(=O)NN[C@]3(C)CCS(=O)(=O)C3)cc2)NC(=O)NC1=O 726283418 ZGLWBKMCGGIUSL-SJORKVTESA-N 409.468 -0.378 50 20 HBGD Cc1ccc(C(=O)N2CCC[C@@H](C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)C2)cc1 729275110 LDUQRGMKFFNOFR-UKRRQHHQSA-N 410.496 -0.068 50 20 HBGD COC(=O)N[C@H](C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1)C(C)C 733555578 UJDXXPKAJKOSOD-HIFRSBDPSA-N 409.395 -0.102 50 20 HBGD C[C@@]1(C2CCN(CC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)CC2)NC(=O)NC1=O 746498140 WPTDIUGQPWOMDD-SFHVURJKSA-N 418.410 -0.334 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 755584983 FRUVNPHURXDBKQ-SECBINFHSA-N 419.485 -0.782 50 20 HBGD Cc1c(NC(=O)C(=O)NNC(=O)CN(C)C)cccc1S(=O)(=O)NC(C)(C)C 764204091 IOOPUHAOTUTVLP-UHFFFAOYSA-N 413.500 -0.281 50 20 HBGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(N2CCOCC2)c(C)c1 764398560 UCEAFRCLNIXZCS-AWEZNQCLSA-N 408.455 -0.031 50 20 HBGD CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)NNC(=O)CNC(=O)c2cccnc2)C1 765507045 ADZZJFJHYSSBOF-CQSZACIVSA-N 421.454 -0.015 50 20 HBGD COc1nccnc1NNC(=O)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 766264224 FQTIQHUOHVKAIC-UHFFFAOYSA-N 420.451 -0.232 50 20 HBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 778438033 PPEYVQUINGIXEG-DMTCVQMQSA-N 410.427 -0.789 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCc2cc(C(N)=O)co2)cc1 779670670 RHUXBCQXRVWFKP-UHFFFAOYSA-N 423.451 -0.162 50 20 HBGD COc1ccc(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1-n1cnnn1 781932061 BKSXFJJGSUSLJF-UHFFFAOYSA-N 406.366 -0.279 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1Cc2cc(Br)ccc2O1 792643422 WDGUOXSBOPFEBG-HQJQHLMTSA-N 406.258 -0.162 50 20 HBGD C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 804869090 SXNITVHGUMJHIS-CJNGLKHVSA-N 400.443 -0.188 50 20 HBGD CCCc1nc(C)c(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)o1 815826941 GJMCRPBVNJHNKW-UHFFFAOYSA-N 403.399 -0.856 50 20 HBGD CN(C)C(=O)COc1ccccc1/C=C(\C#N)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 920398501 KEAUTWHFBCTRQQ-UKTHLTGXSA-N 411.418 -0.077 50 20 HBGD CCS(=O)(=O)NCCc1ccc(S(=O)(=O)NNC(=O)c2cnn(C)c2)s1 1319776647 NYXGOUKWTGHMCG-UHFFFAOYSA-N 421.526 -0.413 50 20 HBGD CC(C)C(=O)N[C@@H](CO)C(=O)NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 1330126531 FUGYLBKCKOLLPN-ZDUSSCGKSA-N 400.476 -0.086 50 20 HBGD O=C(Cc1cn2ccccc2n1)NNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 1330445213 NFCHDRKBQYLJKA-OCCSQVGLSA-N 419.463 -0.940 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnc(O)[nH]1)C2 1782212371 XWZRWZKWSSVKEH-AUUYWEPGSA-N 422.486 -0.384 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)C3=COCCC3)C2)C1 1784003186 FLSRJKLTJXMOQT-HXUWFJFHSA-N 415.450 -0.177 50 20 HBGD O=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](F)Br)C3)CCN1 1801069086 FCDMAAQJUWBSAE-VKISENBKSA-N 406.252 -0.207 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cnccn1 1801409279 YPZUROYVCWKIMP-YVWYUNDQSA-N 418.498 -0.628 50 20 HBGD CC(=O)N[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1801682082 JBLFGXKWJZORMU-DEQVHRJGSA-N 402.455 -0.539 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)C3=NNC(=O)C3)sc2C1 1819673148 ICIKUKLKOXKZPP-SECBINFHSA-N 421.483 -0.696 50 20 HBGD CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839222125 DNUMWOUEWRZZSY-CPUCHLNUSA-N 405.879 -0.157 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1839864405 RNNJZDTUIHDPCQ-QGZVFWFLSA-N 401.536 -0.440 50 20 HBGD COCCn1nccc1C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011216 DSLUHXUZDCFUGY-UHFFFAOYSA-N 412.255 -0.660 50 20 HBGD Cc1nc2ccccn2c1C(=O)NNC(=O)Cn1cc(Br)c(=O)[nH]c1=O 22310747 OJXJQFPSQJLNDK-UHFFFAOYSA-N 421.211 -0.284 50 20 HBGD CCCS(=O)(=O)N1CCC(NC(=O)NNC(=O)CNC(=O)c2ccco2)CC1 725871193 YZONIJBJPPOUSE-UHFFFAOYSA-N 415.472 -0.456 50 20 HBGD Cc1nnnn1[C@H](Cc1ccccc1)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 735652701 PMLTYHBRTWGGDH-UONOGXRCSA-N 407.456 -0.717 50 20 HBGD COCCO[C@@H](C)C(=O)NNC(=O)NCC(=O)N1CCN(c2ccccc2)CC1 748626528 DFBVZDPDPPKKHP-HNNXBMFYSA-N 407.471 -0.283 50 20 HBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 749477470 YYXLATMKSUGRSW-STQMWFEESA-N 423.447 -0.398 50 20 HBGD O=C(NNC(=O)[C@H]1C[C@@]12CCOC2)c1cccc(S(=O)(=O)N2CCOCC2)c1 763365253 OBJFBZXJCYYIOH-CRAIPNDOSA-N 409.464 -0.105 50 20 HBGD CS(=O)(=O)NCCc1ccc(C(=O)NNC(=O)CNC(=O)c2cccnc2)cc1 763818578 LWFQFHGJCGCCKO-UHFFFAOYSA-N 419.463 -0.636 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc(OC(F)F)cc2)n(C)c1=O 765730360 JTNQQCXLJOZURH-UHFFFAOYSA-N 422.348 -0.504 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cccc(C(F)F)c2)n(C)c1=O 765732457 UYHNSGYPCJEOFI-UHFFFAOYSA-N 406.349 -0.168 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C2(c3ccccc3)CCC2)n(C)c1=O 766640195 SGRAQTAUMSCHLK-UHFFFAOYSA-N 410.434 -0.297 50 20 HBGD C[C@H](C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1)S(=O)(=O)C1CCOCC1 767489285 SYVWCWPBTITLAA-GFCCVEGCSA-N 423.447 -0.155 50 20 HBGD COc1ccc(NC(=O)NNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1 802055952 XTBZNIQEKFISFU-WCQYABFASA-N 410.452 -0.117 50 20 HBGD Cn1cc(C(=O)NNC(=O)CNS(=O)(=O)c2ccc(Br)cc2)cn1 810418486 ZXUVAOBUGHIIRQ-UHFFFAOYSA-N 416.257 -0.078 50 20 HBGD COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NNC(=O)c3cccn3C)c2)nn1 812979379 QRNRUBDKVGVYIB-UHFFFAOYSA-N 411.378 -0.208 50 20 HBGD O=C(NNC(=O)[C@H]1CCCO1)C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1 815778328 MJUBPQJFMSUDAX-OAHLLOKOSA-N 424.417 -0.191 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCN(C)CC3)CCO2)C1 1783873988 AYUSCWKCRAOUDA-CRAIPNDOSA-N 402.923 -0.683 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)N3CCN(C)CC3)CCO2)C1 1783879866 BIDPPKUAAXRTAB-FCEWJHQRSA-N 416.950 -0.294 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1783935218 OXZCEBCTHAIRPG-JLDPKJTDSA-N 419.482 -0.099 50 20 HBGD C[C@H](C(=O)N1CC[C@]2(CN(C(=O)CCBr)CCO2)C1)n1cnnn1 1784596129 YKMZAQUYALHKLG-RISCZKNCSA-N 401.265 -0.151 50 20 HBGD CNC(=S)NCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)Br)C2 1797759739 GGOSUBCCSRVUMQ-HNCHTBHHSA-N 421.361 -0.157 50 20 HBGD NC(=O)[C@H](N)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](O)CCl)n[nH]1 1814869813 CAYMQXOYYYTFAG-USWWRNFRSA-N 400.867 -0.406 50 20 HBGD CNc1nsnc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1829749071 PVIMDJBVIXYANZ-BONVTDFDSA-N 419.891 -0.751 50 20 HBGD COC(OC)C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1831027427 LSTIBJTZWRKGCB-HNNXBMFYSA-N 409.277 -0.153 50 20 HBGD Cc1nn(C)c(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1831804605 RXFKUROTKKLXIS-KDOFPFPSSA-N 414.890 -0.293 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)no3)CCO2)C1 1838111470 WVNCMQDKGPJMAA-ZBEGNZNMSA-N 403.819 -0.296 50 20 HBGD CCNC(=S)NCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1839654331 LKPUFMHKIOJFAV-IUODEOHRSA-N 410.899 -0.539 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc[n+]([O-])c3)C2)C1 1840151039 VHMRSAYXBZCLLX-MAUKXSAKSA-N 413.858 -0.356 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@@H]3F)C2)C1 1840182313 GPNXABCRSBEDLW-QWQRMKEZSA-N 400.451 -0.826 50 20 HBGD NC[C@@H](C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccccc1 1842970221 LMALNXWVTANFJO-LJQANCHMSA-N 407.279 -0.074 50 20 HBGD CS(=O)(=O)N1CCCc2cc(C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)ccc21 16786199 FXFLADQHLOZTJR-ZDUSSCGKSA-N 415.493 -0.406 50 20 HBGD Cc1nc(S(=O)(=O)NCC(=O)NNC(=O)Cc2nc3ccccc3n2C)cn1C 725879778 MAMPCLSZCLHWML-UHFFFAOYSA-N 419.467 -0.716 50 20 HBGD C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)c3cnn[nH]3)c2)C[C@@H](C)O1 729455539 KESVRZVTGDTKBL-PHIMTYICSA-N 408.440 -0.323 50 20 HBGD O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)NNC(=O)COc1ccccc1O 732086115 SDTKOQBEFAHZQN-KRWDZBQOSA-N 420.466 -0.368 50 20 HBGD COc1cc(OC)cc(N2CC[C@@H](NC(=O)NNC(=O)C(=O)NC3CC3)C2=O)c1 747956783 UTANDCPMGUNVBZ-CQSZACIVSA-N 405.411 -0.582 50 20 HBGD Cn1ccnc1CN1CCC[C@H](NC(=O)NNC(=O)CNC(=O)OC(C)(C)C)C1=O 783020172 MHQWFYFSYVWVQY-LBPRGKRZSA-N 423.474 -0.234 50 20 HBGD Cc1c(Cl)cccc1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 785182135 JOFDBQYJRMADCH-UHFFFAOYSA-N 404.814 -0.143 50 20 HBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 914778075 YRAUDGMLUQZCGY-ZJUUUORDSA-N 401.391 -0.100 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)C3CCC(O)CC3)C2)C1 1784144436 TVXGEEZFOPOXDQ-PMTKGXAQSA-N 410.515 -0.260 50 20 HBGD O=C(CNCP(=O)(O)O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Cl)C[C@@H]21 1786791451 UZBMTEAVXVFZOE-GMOBBJLQSA-N 401.759 -0.775 50 20 HBGD CCc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)n[nH]1 1795738715 AKQUAPWXUMVSDL-ZSBFGKGUSA-N 412.255 -0.831 50 20 HBGD CN(C)c1ncc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)o1 1796188289 MBDHVQKBXFUIPV-MUJYYYPQSA-N 412.255 -0.014 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2)[C@@H](F)Cl 1796369566 BCPBINSKDTVLLS-RDBQEKCUSA-N 416.793 -0.120 50 20 HBGD NC(=O)[C@H](N)CCC(=O)N1CC[C@H](CNC(=O)[C@@H](O)CCl)[C@H]1c1cccnc1 1803138883 OYHVFIFGSNXQEM-HGTKMLMNSA-N 411.890 -0.720 50 20 HBGD NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1812629478 ZDOBIABNXKQFSZ-JXFKEZNVSA-N 424.266 -0.654 50 20 HBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)COCCO)CC2 1826088385 FIDDOICWJCMZRQ-LLVKDONJSA-N 413.500 -0.563 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)[C@@H](N)Cc1cccnc1)C2 1844264149 MBIRUQKLACYOBT-KRWDZBQOSA-N 423.477 -0.533 50 20 HBGD C[C@@H](CBr)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)N2CCOCC2)C1 1844293369 FSZXXGUOSZLKEA-GXTWGEPZSA-N 404.305 -0.129 50 20 HBGD O=C(CNC(=O)c1cccs1)NNC(=O)CNS(=O)(=O)c1cccs1 725739746 NCEVADXZQHHNPH-UHFFFAOYSA-N 402.479 -0.335 50 20 HBGD CC[C@@]1(C)NC(=O)N(CC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)C1=O 728844857 DTRLXQUWBSYXOV-GOSISDBHSA-N 403.443 -0.439 50 20 HBGD CS(=O)(=O)c1ccccc1NNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 732304308 UIANVGUUJYJDDE-AWEZNQCLSA-N 410.496 -0.286 50 20 HBGD O=C(NNC(=O)[C@H]1CC(c2cc(F)ccc2F)=NO1)N[C@@H]1CCS(=O)(=O)C1 732657136 LHUVAAXTQVVOAQ-NOZJJQNGSA-N 402.379 -0.025 50 20 HBGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NNC(=O)CN(C)C)o1 733359390 GPDZWORNPBIUDV-LLVKDONJSA-N 416.456 -0.682 50 20 HBGD CCS(=O)(=O)N1CCC(C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)CC1 734242047 PSWOSJBMUYNJQU-UHFFFAOYSA-N 421.520 -0.097 50 20 HBGD CC1(C)NC(=O)N(CCC(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)C1=O 744576957 KTOYQQLNIQURBS-UHFFFAOYSA-N 401.379 -0.417 50 20 HBGD C[C@@H](O)[C@H](NC(=O)C(C)(C)C)C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1 745703830 RKAMMSGTRTVKSK-ABAIWWIYSA-N 404.423 -0.226 50 20 HBGD O=C(NCc1cccc(C(=O)N2CCOCC2)c1)NNC(=O)C(=O)N1CCCC1 748462484 ULOWKWCINCYOIF-UHFFFAOYSA-N 403.439 -0.388 50 20 HBGD CS(=O)(=O)N1CC[C@@H](CNC(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])C1 753668925 IFUAHWUJBPMVEZ-NSHDSACASA-N 415.428 -0.415 50 20 HBGD CSCC[C@H](NC(=O)c1ccco1)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 758047551 YAZAAJXUOHMOIC-UWVGGRQHSA-N 406.486 -0.784 50 20 HBGD CNC(=O)CCOc1ccc(NC(=O)C(=O)NNC(=O)Cn2nc(C)cc2C)cc1 763892767 KPLYRXBQZUSMFU-UHFFFAOYSA-N 416.438 -0.199 50 20 HBGD CC[C@@H](C)Oc1cccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 764228046 UGSAYFGBOGGQGC-GHMZBOCLSA-N 400.457 -0.113 50 20 HBGD CCN(c1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1)C(C)C 764231802 QDXBPDJTBUMKKL-LBPRGKRZSA-N 413.500 -0.055 50 20 HBGD CNC(=O)NNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 765071000 PVZOHGYJIDZRTA-UHFFFAOYSA-N 415.447 -0.601 50 20 HBGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)[C@@H]2CCCN2S(C)(=O)=O)cc1 802067784 METNLCXLWGWYIJ-LBPRGKRZSA-N 404.470 -0.333 50 20 HBGD CCc1ccccc1OCC(=O)NNS(=O)(=O)CCCS(=O)(=O)N(C)C 811677102 QPXIYXWXRPNATQ-UHFFFAOYSA-N 407.514 -0.140 50 20 HBGD Cn1c(=O)c2ccc(C(=O)OCC(=O)NNC(=O)c3cccs3)nc2n(C)c1=O 913375608 XUSFUJQRZUTJGI-UHFFFAOYSA-N 417.403 -0.688 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3ccncc3O)C2)C1 1779407368 SHOTXBJIYUJMMY-FQEVSTJZSA-N 411.223 -0.776 50 20 HBGD O=C1CN(CC(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](F)Br)C3)C2)C(=O)N1 1781327161 XULDPRHLNWHUEM-FZMZJTMJSA-N 421.223 -0.941 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1csnn1 1784671986 QNPUZXQLDPPOSP-NOLJZWGESA-N 416.268 -0.875 50 20 HBGD Cc1ccn(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)n1 1785373818 BPLRRGNKOAZZPT-ULQDDVLXSA-N 420.514 -0.456 50 20 HBGD O=C(CNCP(=O)(O)O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(Cl)Cl)C[C@@H]21 1786793020 QHRVEQSVOLEAFT-GUBZILKMSA-N 418.214 -0.505 50 20 HBGD N[C@@H](Cc1cccnc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1787472801 HDNOZWJIDFLSEF-VIQHNZTISA-N 410.902 -0.469 50 20 HBGD C[C@@H]1CC[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)O1 1788164678 ZCIKQJSTUFOAKU-HMDCTGQHSA-N 410.515 -0.093 50 20 HBGD C=CC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](Cl)COC)C[C@@H]21 1788757138 KTLBIIXPIZISKL-QTVXIADOSA-N 401.891 -0.089 50 20 HBGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]2C1)n1cnnn1 1789927039 OFXFNQMGLVAAJT-WTPMCQDGSA-N 419.255 -0.096 50 20 HBGD CCn1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)n1 1794878479 AYWPTAKCRJJNAA-JLVBRIDZSA-N 412.255 -0.900 50 20 HBGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCNC1=N 1795582304 UZHMKLKODZINAA-KQXIARHKSA-N 402.293 -0.801 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCSCC1)C2)c1ccc(B(O)O)cc1 1795736971 QKPVDSPJNBQIJN-ALXJQNPVSA-N 418.324 -0.287 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccnnc1O)C2 1798439957 PRTSSTVWGBCFJP-ZSBIGDGJSA-N 411.422 -0.254 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2)c1c[nH]c(=O)cn1 1798635143 YGFZKXYAQRYREE-IWXIMVSXSA-N 403.208 -0.336 50 20 HBGD NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807368055 WYYKNBDMOZPSOE-UZLBHIALSA-N 424.266 -0.654 50 20 HBGD O=C(Cn1nccn1)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1820985133 AKSJVRXFXWWYGG-MRXNPFEDSA-N 423.242 -0.313 50 20 HBGD C[C@H](CN)C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1834662611 SRFAFTZOSHYMEG-OAHLLOKOSA-N 410.563 -0.474 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cnn(C)c3)CCO2)C1 1840466795 XXFDSYJPZNHDJE-YJBOKZPZSA-N 414.890 -0.327 50 20 HBGD CCn1nc(C(=O)NNC(=O)CCC(=O)N2CCOCC2)c2ccccc2c1=O 6928622 PSMYGQLUZZUQHU-UHFFFAOYSA-N 401.423 -0.184 50 20 HBGD C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)C1=O 728385546 YMFXKQYSRNEOFL-DIFFPNOSSA-N 408.436 -0.964 50 20 HBGD Cc1ccc(OCC(=O)NNC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1C 742472224 NKZQTLWBQIKREM-KNCCTNLNSA-N 401.419 -0.008 50 20 HBGD CCS(=O)(=O)N[C@@H](CCSC)C(=O)NNC(=O)CNC(=O)c1cccs1 751209330 OESBJDRDLRTQAB-JTQLQIEISA-N 422.554 -0.314 50 20 HBGD C[C@H](CNC(=O)C(=O)NNC(=O)CSc1ccc(Cl)cc1)S(N)(=O)=O 763733725 GIMIQZGBHWIAOE-MRVPVSSYSA-N 408.889 -0.627 50 20 HBGD CN(C)c1ncc(NC(=O)C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])cn1 763802761 GNRQRZLGOKSEQC-UHFFFAOYSA-N 403.355 -0.384 50 20 HBGD CNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)c2ccccc2OC)c2ccccc2O1 764042181 CTFDCJGPUQDWHU-MRXNPFEDSA-N 412.402 -0.004 50 20 HBGD CS(=O)(=O)c1ccc(Oc2ccc(NC(=O)C(=O)NNC(=O)CO)cc2)cc1 764428523 GKUFCYMBPVISHE-UHFFFAOYSA-N 407.404 -0.039 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@H](C)N(C)C)CC2)cc1 766635867 HJEKEMSDMCTXBX-HNNXBMFYSA-N 411.528 -0.601 50 20 HBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CCC(=O)N1CCN(c2ccccn2)CC1 772190537 HRDPULYWNLIIKG-CQSZACIVSA-N 405.455 -0.001 50 20 HBGD Nc1ccccc1S(=O)(=O)NCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 774326093 GWLHGBKHKNWREN-CQSZACIVSA-N 406.420 -0.466 50 20 HBGD CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)NNC(=O)CO)CC2=O)cc1 777781945 JINAGJIXKDNHMV-LBPRGKRZSA-N 412.468 -0.790 50 20 HBGD CC(C)(C)OC(=O)NCC(=O)NNS(=O)(=O)c1ccccc1S(C)(=O)=O 777938862 HNDSYLSPGIHRMZ-UHFFFAOYSA-N 407.470 -0.076 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NOC[C@H]2CCOC2)cc1 788327485 WZISTOMVCBBKTR-ZDUSSCGKSA-N 400.457 -0.086 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1nc2c(s1)CCCCC2 789735472 PSVJVAPGVIWCCF-QMMMGPOBSA-N 403.486 -0.564 50 20 HBGD COC(=O)c1cn(CCNC(=O)NNC(=O)c2cc(Br)c[nH]2)nn1 790655954 NKGFTCAHEGXDGL-UHFFFAOYSA-N 400.193 -0.201 50 20 HBGD CCOC(=O)Cc1cccc(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 795301371 GZUXDHTYKMGTDT-GFCCVEGCSA-N 419.481 -0.528 50 20 HBGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1ccccc1S(=O)(=O)NC 799530693 DNEDBMGTTUENJL-UHFFFAOYSA-N 406.486 -0.791 50 20 HBGD NC(=O)[C@H]1CC(C(=O)NNC(=O)[C@H]2CCc3nncn3C2)=NN1c1ccc(F)cc1 816885200 TUTJZZVEEGVMBD-IINYFYTJSA-N 414.401 -0.753 50 20 HBGD O=C(CN1CCCC1=O)NNC(=O)c1ccc(S(=O)(=O)N=c2cc[nH]cc2)cc1 920436013 SYBGNELPYIVQIH-UHFFFAOYSA-N 417.447 -0.312 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)C3=COCCC3)CCO2)C1 1779034994 YURBGKREPPTAPX-HXUWFJFHSA-N 415.450 -0.177 50 20 HBGD CCN(C)[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779036814 GFUKNUVTYUFDDK-JLTOFOAXSA-N 418.498 -0.531 50 20 HBGD CC(C)(C)[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786978659 IQOPYQZIXONISU-DKIMLUQUSA-N 418.299 -0.633 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)c1cnc(O)nc1O 1787428434 WUGZTIWVPLWSQL-VGDYDELISA-N 400.819 -0.919 50 20 HBGD O=C(CCc1ccc(O)nn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1790563010 OSBOBTRPRVRJCD-MXAVVETBSA-N 412.874 -0.306 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(=O)oc1 1794997607 QOXOQPUJKSQZAH-ZSBFGKGUSA-N 406.439 -0.784 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn[nH]c1 1796573062 WWSIORWPTOGJTO-GRSZLDEUSA-N 413.438 -0.253 50 20 HBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Cl)C2 1797786299 HWARBHDEIFNEGP-ZUWCUPBKSA-N 408.810 -0.395 50 20 HBGD CN[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CO[Si](C)(C)C)C(=O)O 1797954911 RXJJWOYRIUMUKD-OQMKEHIESA-N 401.536 -0.510 50 20 HBGD COC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798439290 VHMCRPSMILPKIM-CLLJXQQHSA-N 403.439 -0.110 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)CNC(N)=O)[C@H]1c1cccnc1 1814229816 DPPWGBCOURCHCG-RDTXWAMCSA-N 419.486 -0.871 50 20 HBGD O=C(O)C#CC(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815361754 QLBDSGWGSHUXSK-LBPRGKRZSA-N 413.220 -0.863 50 20 HBGD CN1CCCC[C@H]1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830720011 QRNSIUUWULGPKE-MPGHIAIKSA-N 403.907 -0.473 50 20 HBGD CN1N=C(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Cl)C3)C2)CCC1=O 1832374906 COFSIPJLTDFDSU-CZUORRHYSA-N 404.826 -0.415 50 20 HBGD N#CCC(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1834400387 RKLBSNUKBIALNN-UHFFFAOYSA-N 413.482 -0.216 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)CSc2ncccn2)C1 1843072356 KFYARUWZGOCBHK-UHFFFAOYSA-N 412.280 -0.234 50 20 HBGD Cn1c(=O)c2c(ncn2CCC(=O)NNC(=O)Cc2ccc(F)cc2)n(C)c1=O 16203742 VJPHZQHIMWODPA-UHFFFAOYSA-N 402.386 -0.647 50 20 HBGD CC(C)NS(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 16786050 KEQCSMUQFJETKL-GFCCVEGCSA-N 403.482 -0.431 50 20 HBGD O=C(COc1ccccc1F)NNC(=O)NCCS(=O)(=O)N1CCOCC1 52140905 VZXTZHPCPQSRLI-UHFFFAOYSA-N 404.420 -0.803 50 20 HBGD Cc1cc(C)nc(-n2nc(C)c(CC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c2C)n1 729276401 DTUDTABWTBBAIX-LBPRGKRZSA-N 423.499 -0.476 50 20 HBGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NCCN2C(=O)CNC2=O)nc1 733658111 SIPORZSLVNRLOF-UHFFFAOYSA-N 413.460 -0.710 50 20 HBGD CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)NNC(=O)COc2ccccc2O)C1=O 752022313 CIBDDKHCMJBUOZ-VOJFVSQTSA-N 405.411 -0.178 50 20 HBGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)c1ccc(CNS(C)(=O)=O)o1 753618058 NOJNQNPMFAZLDI-UHFFFAOYSA-N 419.460 -0.203 50 20 HBGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)nc1 760205189 XHJAUSUYMJHSHM-WCQYABFASA-N 414.488 -0.229 50 20 HBGD CC(C)C(=O)NNC(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 763832731 PXWDLOSKVMBTMU-HNNXBMFYSA-N 404.423 -0.557 50 20 HBGD O=C(CC1CC1)NNC(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 764143342 HQNAQJHHEYUVPI-INIZCTEOSA-N 416.434 -0.413 50 20 HBGD C[C@H](C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)n1cnc2ccccc21 766637037 RYCBHXNBOBKBCQ-LLVKDONJSA-N 424.421 -0.808 50 20 HBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1c(C)nn(C)c1C 772161479 XTIASOSNHOVPDZ-ONGXEEELSA-N 403.461 -0.807 50 20 HBGD COC(=O)N(C)NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc(C)c(C)c1 804125677 MYMLEFHKFMINES-CYBMUJFWSA-N 400.457 -0.055 50 20 HBGD CC(C)O[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779032065 LFUFKYCGAXNGLN-VLIAUNLRSA-N 419.482 -0.058 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1nccn1)C2 1782213272 KEASNKSZTZAMHW-DNVCBOLYSA-N 421.502 -0.835 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnc(N)s1)CCO2 1783933869 JYSACGIXFWMWQZ-KRWDZBQOSA-N 410.500 -0.458 50 20 HBGD COC(=O)CSCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796187876 IPAYWKXQIKGSDK-MUJYYYPQSA-N 420.296 -0.476 50 20 HBGD CC[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796439718 YHPBJGFKTUFEDR-VBVBCPGOSA-N 405.455 -0.519 50 20 HBGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccnc1C(N)=O)C2 1802333251 PZWYTDMQWINAPN-BTTYYORXSA-N 416.482 -0.195 50 20 HBGD CN(C)C(=O)C(=O)N1CCCC2(CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1 1809576502 YFKKECVIWMWLMM-UHFFFAOYSA-N 401.272 -0.701 50 20 HBGD O=C(CNCP(=O)(O)O)N1CCCC2(CCN(C(=O)[C@@H](O)CCl)CC2)C1 1809656580 HKNIEHATUAKGGX-LBPRGKRZSA-N 411.823 -0.458 50 20 HBGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1C[C@@H](O)C1)CC2)c1ccc(B(O)O)cc1 1815344372 WAHUTEPIRHYWMX-BNOWGMLFSA-N 415.280 -0.180 50 20 HBGD CNC(=O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)CBr)CCO2 1830533893 UEHNEDBXBORYFF-LRDDRELGSA-N 420.304 -0.390 50 20 HBGD CC[C@@H](O)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1833257020 XFBLQHVBRMIESL-LJQANCHMSA-N 417.315 -0.678 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)c3ccc[nH]3)C2)C1 1835930739 XEROBACSGFNQKX-HXUWFJFHSA-N 413.239 -0.922 50 20 HBGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CN(C)C3)C2)C1 1840036088 DQTFVZBMSZIOLB-WBMJQRKESA-N 404.305 -0.212 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2ccc3nn[nH]c3c2)C1 1845733402 KJUDIQKDOKNCFO-UHFFFAOYSA-N 405.223 -0.232 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCC(=O)N1CCCC1 1848055981 VHEKMTCLKOUUKN-HOTGVXAUSA-N 407.515 -0.036 50 20 HBGD C[C@H](C(=O)N(C)CC(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1)n1cccn1 744842701 OXHWQXRXZWATGC-CYBMUJFWSA-N 412.406 -0.221 50 20 HBGD CC(=O)N1CC[C@@](C)(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)C1 747090497 DZHYXYCKXQCAIW-HNAYVOBHSA-N 405.407 -0.225 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 755932651 CMTNRIIPDBGXQH-NSHDSACASA-N 413.456 -0.751 50 20 HBGD COc1ccc(CN2C[C@H](C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)CC2=O)cc1 758054210 OAAVEQKMNVBSNI-DGCLKSJQSA-N 412.468 -0.871 50 20 HBGD NS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)COc2ccc(F)cc2)c1 763838332 STCMKUWGLFRWDY-UHFFFAOYSA-N 410.383 -0.362 50 20 HBGD CC(C)N(C)c1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1F 764229694 BSKCFKVCHSOZSR-JTQLQIEISA-N 417.463 -0.306 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Cc2cccc3cccnc23)n(C)c1=O 765724979 MPHMDDHPFDOJDN-UHFFFAOYSA-N 421.417 -0.628 50 20 HBGD CCOc1ccc(S(=O)(=O)NNC(=O)[C@H]2CCc3nncn3C2)cc1C(=O)O 793449884 HKTMMXPHXUKNFI-JTQLQIEISA-N 409.424 -0.053 50 20 HBGD Cc1oc(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)cc1S(N)(=O)=O 794069467 HLEPCYGZVJKQAY-UHFFFAOYSA-N 410.408 -0.077 50 20 HBGD C=CCNC(=S)NNC(=O)CNS(=O)(=O)c1ccc(C(=O)OCC)cc1 913435760 POCGDUSDNGVNJC-UHFFFAOYSA-N 400.482 -0.177 50 20 HBGD COc1ccc(NCC(=O)NNC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)cc1 919744678 UHEUCGUWRIAEFC-UHFFFAOYSA-N 414.422 -0.543 50 20 HBGD Cc1cc(C)n(CC(=O)NNC(=O)NC2CCN(CCS(C)(=O)=O)CC2)n1 1318350494 SKTZDJMHNSLOMA-UHFFFAOYSA-N 400.505 -0.661 50 20 HBGD CS(=O)(=O)CC[C@@H](C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1 1321422177 YQRWKNWTOCZMDY-UONOGXRCSA-N 417.509 -0.278 50 20 HBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)[C@@H]1C=CCN1 1777970772 RERZKRIUYYWJTE-WAOWUJCRSA-N 413.283 -0.978 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)Cn3cccn3)CCO2)C1 1779031198 NJYRTZREOKVNOP-LJQANCHMSA-N 413.438 -0.975 50 20 HBGD C[C@@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NNC(=O)C3)C[C@@H]21 1783967409 SNHHUGZGLGQESS-ZPFDUUQYSA-N 415.288 -0.127 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)C3CCSCC3)C2)C1 1785635913 RPGYLFNEBWGZSO-FQEVSTJZSA-N 418.324 -0.047 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1coc(Cl)n1 1794394011 XUMIXVKGLLHVJG-JJLQDPRZSA-N 419.630 -0.475 50 20 HBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1nc(N)n[nH]1 1797628159 SZPPKAWMTQSKCP-FBKDDSFISA-N 400.867 -0.837 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)C=CC1=O)C2 1799278760 XDZZVVBKDYYYRT-VODVUFLWSA-N 418.277 -0.263 50 20 HBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(C)C(=O)CC1)C2 1800974164 NQNDYOVZZHEPGJ-OXIQGZBJSA-N 400.863 -0.562 50 20 HBGD C[C@@H](NC=O)C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815360030 JDLKAHXEQNZCGK-MFKMUULPSA-N 416.268 -0.817 50 20 HBGD CN(CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](O)CCl)[nH]n1)C(=O)C(=O)O 1821712786 GRXQMSNDJKREOU-QWRGUYRKSA-N 415.834 -0.456 50 20 HBGD Cc1noc(C)c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830724856 ISQUVSGUFLMQSJ-GUYCJALGSA-N 401.847 -0.039 50 20 HBGD COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)ccn1 1830730675 BWTQSHQGVRDDID-KSSFIOAISA-N 413.858 -0.240 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnsn3)CCO2)C1 1833536385 WHXMAHOMMLUMGA-IAQYHMDHSA-N 404.876 -0.138 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)CC3CC3)C2)C1 1837457922 WPIXGCKWOBMWPM-FQEVSTJZSA-N 417.466 -0.445 50 20 HBGD O=C(c1ccc(F)nc1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837840648 UEKDVJQOABLGFN-CXAGYDPISA-N 401.822 -0.110 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCO2)C1 1839079248 HLADNSMESKVBII-MGBSGCIJSA-N 424.325 -0.598 50 20 HBGD C[C@H](Nc1cnccn1)C(=O)N1CC2(CCCN2C(=O)CCC(=O)NN(C)C)C1 1846384981 HKYRFPVOYRPPMY-AWEZNQCLSA-N 403.487 -0.147 50 20 HBGD COCCCNC(=S)N(C)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 726077076 OJNAKZAIRFTJMK-UHFFFAOYSA-N 413.525 -0.011 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CCN3CCOCC3)cc2)CC1 728213595 AUKGWBDLRXUEOW-UHFFFAOYSA-N 411.528 -0.212 50 20 HBGD NC(=O)c1csc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 728336705 ZXRRCZFXZFLWEZ-GFCCVEGCSA-N 405.388 -0.009 50 20 HBGD O=C(COc1ccc(Br)cc1)NNC(=O)NCCN1C(=O)CNC1=O 733352102 SUMNIYVQWDUXQC-UHFFFAOYSA-N 414.216 -0.290 50 20 HBGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)c2cc(S(N)(=O)=O)ccc2F)c1 733368466 ITDVLSJZTRSUFX-UHFFFAOYSA-N 415.424 -0.049 50 20 HBGD O=C(NNC(=O)c1ccc2ncc(I)n2c1)C(=O)NC1CC1 749334335 AZEJIKQACGVDMM-UHFFFAOYSA-N 413.175 -0.022 50 20 HBGD CSc1nnnn1-c1cccc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 755733869 LVGOZCPNZTXDOA-SECBINFHSA-N 411.469 -0.028 50 20 HBGD CCn1c(=O)c2ccccc2n(CC(=O)NNC(=O)C(=O)Nc2ccccn2)c1=O 758823812 UWYZFGQHDIFQLJ-UHFFFAOYSA-N 410.390 -0.636 50 20 HBGD CN1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NNC(=O)C3CC3)c2)CC1 763561964 JQCPYKIZFLLNNG-UHFFFAOYSA-N 423.495 -0.491 50 20 HBGD NC(=O)c1cc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)ccc1F 763575318 TXDUKADVYLZIFW-AWEZNQCLSA-N 402.338 -0.150 50 20 HBGD CCOC(=O)/C=C/c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 764001690 CAPLKEZSAZVSTL-LJLILKBBSA-N 423.447 -0.217 50 20 HBGD COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NNC(=O)C(=O)N2CCCC2)C1=O 771254855 JEFSFIJQOYCKTJ-LJQANCHMSA-N 417.422 -0.768 50 20 HBGD Cn1nc(SCC(=O)NN=Cc2cc(-n3ccnc3)cs2)c(=O)n(C)c1=O 783822008 RMNSLEBBAZNWSI-UHFFFAOYSA-N 405.465 -0.031 50 20 HBGD CN1CCN(C(=O)NNC(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)CC1 788169582 RHTBTKLGIVWZFL-GOSISDBHSA-N 406.418 -0.419 50 20 HBGD COc1ccc(NC(=O)NNC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)cc1 802055498 RTFUZXFDDJFTME-UHFFFAOYSA-N 401.383 -0.705 50 20 HBGD Cc1ccc(C)c(S(=O)(=O)NCC(=O)NNC(=O)C(=O)Nc2ccccn2)c1 810527379 LAORROMWGZPJRA-UHFFFAOYSA-N 405.436 -0.237 50 20 HBGD COc1ccc(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c2cccnc12 919961252 YJNNNYLCJJOPPN-SNVBAGLBSA-N 414.465 -0.077 50 20 HBGD Cn1cc(C(=O)NNS(=O)(=O)c2cc(C(=O)NCC(F)(F)F)n(C)c2)cn1 1116472132 VEVIYTFMTYUVNJ-UHFFFAOYSA-N 408.362 -0.326 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3ccon3)CCO2)C1 1779031425 SCZVBMHLNXYAIQ-GOSISDBHSA-N 400.395 -0.570 50 20 HBGD Cc1nccnc1C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1779778775 JDERBDOQUZHOCE-HXUWFJFHSA-N 410.239 -0.778 50 20 HBGD C[C@H](C(=O)N1CC[C@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1)N1CCN(C)CC1 1781089882 KLBKSBMPMYTVKT-RVKKMQEKSA-N 402.923 -0.948 50 20 HBGD COCCOCCOCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1783664049 XEQOYDQNUWIGHZ-MAUKXSAKSA-N 422.906 -0.514 50 20 HBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Cl)C[C@@H]21 1788638628 OVEPNOVOUYGNES-BTFPBAQTSA-N 422.837 -0.005 50 20 HBGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1)n1ccnc1 1791287898 BBQPFCBRLZRIIA-QZWWFDLISA-N 420.514 -0.203 50 20 HBGD CN[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CO[Si](C)(C)C)C2)C(=O)O 1795642304 MSWQPZJOMPEYAU-OQMKEHIESA-N 401.536 -0.510 50 20 HBGD Cc1cncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c1 1795737594 ZAFZVZKFMRXLIU-IZZQQSIFSA-N 409.251 -0.413 50 20 HBGD O=C1CC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](F)Br)CN1 1799343396 URTHUBLYGRKAKS-QTCIEIIFSA-N 406.252 -0.207 50 20 HBGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)n1)C2 1800756704 CYJBHFFBEUPNJP-KZFFXBSXSA-N 415.244 -0.126 50 20 HBGD Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)no1 1801278920 YTTODCYBGKBYIZ-CCWDJLKJSA-N 413.239 -0.891 50 20 HBGD O=C(O)CSCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1802351192 LZTDHZYMOVIBMP-QDMKHBRRSA-N 406.269 -0.564 50 20 HBGD O=C1CN(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H](O)CCl)n[nH]2)C(=O)N1 1814867562 NJQDPNBVGPOQHM-MNOVXSKESA-N 412.834 -0.447 50 20 HBGD O=C(N[C@@H]1CCc2nc(NC(=O)c3ncon3)sc2C1)c1ccc(B(O)O)cc1 1821020909 RKUFABJGQUMHQI-LLVKDONJSA-N 413.224 -0.255 50 20 HBGD O=C(O)C#CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827053750 ZVVKFEUPCMSVDK-SFHVURJKSA-N 412.251 -0.312 50 20 HBGD CN(C)C(=O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827054868 NKDQXSKYGUABPI-SFHVURJKSA-N 415.299 -0.312 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)[C@H]3C[C@@H](O)C3)CC2)CC1 1835444807 TUDHMORTJBSCRW-RHNCMZPLSA-N 423.558 -0.298 50 20 HBGD O=C(Cc1ccccc1O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839907041 XVVIMNNLMXXSDN-VQIMIIECSA-N 412.870 -0.009 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccn3)C2)C1 1840183486 HMSUDESXABMSQC-FQEVSTJZSA-N 419.482 -0.475 50 20 HBGD Cc1cnc2c(C(=O)N3CC4(CCCN4C(=O)c4cccc(B(O)O)c4)C3)cnn2c1 1843013991 KVMPRGHLSHAWMZ-UHFFFAOYSA-N 419.250 -0.152 50 20 HBGD CCNC(=O)N[C@H](C)C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1844230198 UYTKAAFKYYNQAE-GFCCVEGCSA-N 417.470 -0.790 50 20 HBGD C[C@H](Br)C(=O)N1CCCC12CN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2 1846176436 IUFSGSJDHIJKDE-QMMMGPOBSA-N 410.232 -0.587 50 20 HBGD C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)C(=O)NC3CC3)cc2)C[C@@H](C)O1 9889550 KRPLGPKDYLTCPD-TXEJJXNPSA-N 424.479 -0.476 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3ccc(C(N)=O)cn3)cc2)CC1 728216388 YVZLHRACYRGZDJ-UHFFFAOYSA-N 418.479 -0.127 50 20 HBGD CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 730076299 ZJDOEBSHFHZBQT-QWRGUYRKSA-N 406.530 -0.158 50 20 HBGD C[C@@H](CNC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12)CN1CCOCC1 739047572 BODZBUUEIALVQQ-ZDUSSCGKSA-N 402.455 -0.154 50 20 HBGD CCC(CC)NC(=O)C(=O)NNC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O 740853273 MROPYGFQJFFECR-LJQANCHMSA-N 403.439 -0.094 50 20 HBGD COCCCNC(=O)[C@@H](C)N1CCN(CC(=O)NNC(=O)c2cccc(C)c2)CC1 744398950 UQLQQUJRJDIBOV-QGZVFWFLSA-N 419.526 -0.085 50 20 HBGD COc1nc(N2CCN(CC(=O)NNC(=O)C3CC3)CC2)ncc1Br 750836012 KHXFDHKVZJULFS-UHFFFAOYSA-N 413.276 -0.073 50 20 HBGD C[C@H]1C[C@@H](C)C[C@]2(C1)NC(=O)N(CC(=O)NNC(=O)C(=O)Nc1ccccn1)C2=O 757054288 QKGMOOODMRBJTP-SLAYPKMVSA-N 416.438 -0.086 50 20 HBGD CNC(=O)Cn1nc(NC(=O)C(=O)NNC(=O)COc2cc(C)cc(C)c2)cc1C 763645713 XXBMVXFWFHRQRE-UHFFFAOYSA-N 416.438 -0.281 50 20 HBGD CC(C)CC(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 763887793 ADWAGGIAOIMBNO-UHFFFAOYSA-N 412.468 -0.161 50 20 HBGD CC[C@H](C)Oc1cccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 764228053 UGSAYFGBOGGQGC-QWRGUYRKSA-N 400.457 -0.113 50 20 HBGD CC(C)NC(=O)C(=O)NNS(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 780369238 FGIHLIPMTWQYMJ-UHFFFAOYSA-N 417.387 -0.186 50 20 HBGD CC(=O)N[C@@H](CC(=O)NN(C)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(N)=O 783703755 CUGUJGWYFSYLDO-LBPRGKRZSA-N 414.463 -0.998 50 20 HBGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)cc2[nH]ccc12 808938294 PIEZIIXONCHUTP-UHFFFAOYSA-N 401.379 -0.337 50 20 HBGD O=C(NNC(=O)[C@H]1CCCO1)C(=O)Nc1ccc2nc(N3CCOCC3)oc2c1 815778678 BPUNVBAMLSRECO-CYBMUJFWSA-N 403.395 -0.071 50 20 HBGD COc1c(F)cc(CC(=O)NNC(=O)Cn2nc(C)cc2C)cc1S(N)(=O)=O 915594888 INEFEGRGKLGUMF-UHFFFAOYSA-N 413.431 -0.315 50 20 HBGD Cn1nncc1CNC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 1323901267 WHDKRRVRTQFZBG-UHFFFAOYSA-N 407.456 -0.256 50 20 HBGD COc1ccc(C(=O)N2CC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)nn1 1779902760 WJRCTVWKMURKGE-IBGZPJMESA-N 420.470 -0.698 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCCOC3)C[C@@H]21)c1cccc(B(O)O)c1 1786986714 AXVDCUDJNBPQJX-CAMMJAKZSA-N 416.283 -0.614 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3C(=O)C=CC3=O)C[C@@H]21)[C@H](F)Cl 1787443398 IHYVTWGVIICULO-YWDSYVAPSA-N 401.822 -0.184 50 20 HBGD O=C1CCc2ccc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@H](O)CCl)nc2N1 1792976742 LXRBMMORPGKUDL-FAXLKDOZSA-N 422.869 -0.231 50 20 HBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)ncn1 1793727083 WNJIDUMQFLNZQW-ZSBIGDGJSA-N 411.422 -0.254 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccs1)C2)c1cccc(B(O)O)c1 1795737393 CCAXNHYGURYDTP-AGGWBTHJSA-N 401.253 -0.660 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1cnc2ncccn12 1796191414 IUDXQPKFGFLBIJ-BJWYYQGGSA-N 419.250 -0.025 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)c1nc(O)n2c1CCCC2 1797982168 MMAHUKKDGSTTDJ-ZMJPVWNMSA-N 412.874 -0.272 50 20 HBGD Cc1nc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)cs1 1801009396 DWVSGPMSVFHGKF-HBCWATKFSA-N 423.539 -0.043 50 20 HBGD COCCOCC(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833309098 NIDCIHQMVQDUCZ-INIZCTEOSA-N 405.923 -0.179 50 20 HBGD COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)n(C)n1 1833438918 JVQQVJWPOITODX-DYVFJYSZSA-N 416.862 -0.902 50 20 HBGD CC(C)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1834796591 BPXZOTMJTCPMCI-FQEVSTJZSA-N 419.482 -0.199 50 20 HBGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)C1 1835128486 WOVNCTMTTNCWQR-BFQNTYOBSA-N 418.288 -0.495 50 20 HBGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)N(C)C)CCO2)C1 1835436278 SNDIVLXSYLJASF-ABAIWWIYSA-N 406.277 -0.686 50 20 HBGD O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837440424 INPWVEMQKXMONQ-TZPTYAJZSA-N 416.906 -0.486 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2cnc3ncccn23)C1 1843762979 JSZXBCYALGVYMN-UHFFFAOYSA-N 420.433 -0.141 50 20 HBGD O=C(CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(B(O)O)c1)N1CCCC1 1848054351 NBUDNICLBXCHGF-ROUUACIJSA-N 413.283 -0.416 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cnc3n(c2=O)CCS3)c1 16178068 HLXARKNSFXTMES-UHFFFAOYSA-N 423.476 -0.326 50 20 HBGD COc1ccc(C(=O)NNS(=O)(=O)c2cccc(S(N)(=O)=O)c2)cc1OC 23391485 ITVJYXFGVPEZDY-UHFFFAOYSA-N 415.449 -0.026 50 20 HBGD COc1ccc(C)cc1N1C[C@@H](C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)CC1=O 728386275 VKEXTSPPZWGQCX-STQMWFEESA-N 409.464 -0.061 50 20 HBGD Cc1cc(N2CC[C@H](NC(=O)NNC(=O)CNC(=O)c3cccs3)C2=O)n(C)n1 743580224 XDBNYSVRUCHZQI-NSHDSACASA-N 419.467 -0.344 50 20 HBGD CC[C@H](C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1)N1CCCC1=O 745691877 PSHKSPLHOFDZFA-IUODEOHRSA-N 405.407 -0.082 50 20 HBGD CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)N2CCOCC2)cc1 746519084 CILMOCPSYNMTGD-UHFFFAOYSA-N 413.456 -0.614 50 20 HBGD CN1CC(=O)N(CCCC(=O)NNC(=O)c2csc(N3CCOCC3)n2)C1=O 751230286 LQCAOWRKCRUXBW-UHFFFAOYSA-N 410.456 -0.585 50 20 HBGD Cc1cc(C(=O)NNC(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)n[nH]1 756547346 BFUUGQBSWGKQRQ-UHFFFAOYSA-N 422.471 -0.339 50 20 HBGD CSCC[C@H](NC(=O)c1ccco1)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758047557 YAZAAJXUOHMOIC-ZJUUUORDSA-N 406.486 -0.784 50 20 HBGD Cc1sc(Cl)nc1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 762898068 JZXLONRXCOUTKN-UHFFFAOYSA-N 411.831 -0.687 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)C(=O)NNC(=O)CN(C)C 764210815 IJSCFIGLRWYTCM-UHFFFAOYSA-N 413.500 -0.329 50 20 HBGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(CN2CCN(C)CC2)c1 764397382 HXSXCXQDOOZWFU-OAHLLOKOSA-N 421.498 -0.429 50 20 HBGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)nc1 764400293 PBSAPQXOCIBASU-HZSPNIEDSA-N 423.470 -0.167 50 20 HBGD Cc1[nH]c2ccccc2c1CC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765724443 ILNRRXKCWMBOJY-UHFFFAOYSA-N 423.433 -0.386 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)/C=C\Sc2ccccc2)n(C)c1=O 765731414 RJJXKTUQEFQGGK-HJWRWDBZSA-N 414.447 -0.113 50 20 HBGD Cn1ncc2c(O)nc(NNC(=O)NC[C@@]3(N4CCOCC4)CCSC3)nc21 770356656 RUBITULQVFRVSA-INIZCTEOSA-N 408.488 -0.097 50 20 HBGD CO[C@H](C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)C1CC1 792238009 PJNCSNCHTYSMMY-SFHVURJKSA-N 424.523 -0.126 50 20 HBGD COc1ccc(NC(=O)NNC(=O)[C@H]2CCc3nncn3C2)cc1-n1nnnc1C 814630046 SJGINOIUFVMWST-NSHDSACASA-N 412.414 -0.014 50 20 HBGD C=CCNC(=S)NNC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 913435837 YXIJYFJZDPMPAZ-UHFFFAOYSA-N 400.482 -0.193 50 20 HBGD Cc1cc(=O)oc2cc(OCC(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)ccc12 919885874 OOVQYAMTSWHTLJ-LLVKDONJSA-N 409.420 -0.002 50 20 HBGD COCCOc1ccc(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1C 919961205 WVXXBTVYDNXKFF-GFCCVEGCSA-N 421.497 -0.300 50 20 HBGD O=C(CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NNC(=O)c1n[nH]c2c1CCCC2 1329852310 GGYHNCNJNOICER-QHSBEEBCSA-N 401.423 -0.398 50 20 HBGD Cc1cnoc1C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1779937168 WKONTHVQJSNFTD-IBGZPJMESA-N 414.422 -0.261 50 20 HBGD C[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1783533234 SSNUGBVKOAUDPR-ABAIWWIYSA-N 402.293 -0.560 50 20 HBGD Cc1n[nH]c(C)c1CC(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783935516 VOYZJZDWOLNEEI-HXUWFJFHSA-N 420.514 -0.228 50 20 HBGD CC[C@@H](C)[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1784558464 YGCGBBKJCWHJOF-XZLOLGPPSA-N 412.531 -0.254 50 20 HBGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCNC(=O)C3)C[C@@H]21 1791257691 OOYWXIOLAKHINM-QTVXIADOSA-N 401.891 -0.254 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)C=CC3=O)[C@H]2C1 1791396564 GOEBYYNOBTZQMT-XUXIUFHCSA-N 413.858 -0.855 50 20 HBGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)N(C)C 1792630626 MMQDFGDDTOVXSH-HNCHTBHHSA-N 405.293 -0.369 50 20 HBGD CC[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1792861789 SZVDAWRVUNDAMJ-GPMNNEHHSA-N 405.455 -0.519 50 20 HBGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1nccn1 1799407761 IDTUPWPOSGOBEX-NRWUCQMLSA-N 400.277 -0.101 50 20 HBGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H](NC)C(=O)O)C2 1800638895 CMDGBSWPROBADU-ZUDIRPEPSA-N 420.304 -0.188 50 20 HBGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1nc(N)n[nH]1)C2 1800758984 BOTPDGHHSSOLBI-XHSYRHOGSA-N 415.292 -0.308 50 20 HBGD COCCOCCOCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1800836603 PJOOJAAJCYMLLK-IVSAIRAKSA-N 422.906 -0.755 50 20 HBGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(OC)nn1C)C2 1800974103 KNNSQINHEXVSNB-NWJSVONSSA-N 400.863 -0.114 50 20 HBGD O=C1NC(=O)[C@H](CC(=O)N2CC[C@H](CNC(=O)[C@H](O)CCl)[C@@H]2c2cccnc2)N1 1803135422 CLVQTRKCUFQKPK-COMQUAJESA-N 423.857 -0.715 50 20 HBGD O=C([C@H](O)CCl)N1CCO[C@]2(COCCN(C(=O)[C@H]3[C@H]4SC=C[C@H]43)C2)C1 1830735783 MXWUEKVHUIHKQH-GMIGGYDBSA-N 402.900 -0.082 50 20 HBGD CC(=O)N/C(C)=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830736011 PMGUROUSJNTPSV-SARSIEBVSA-N 403.863 -0.918 50 20 HBGD CC(C)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CNC(=O)O3)CCO2)C1 1831563452 FCZKLTXACWLLFL-SJCJKPOMSA-N 403.863 -0.184 50 20 HBGD CCOC(=O)/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](Cl)COC)C2)C1 1834777958 OVOWQYCQRSTIBF-BMCXSGSRSA-N 418.874 -0.184 50 20 HBGD O=C(NC1CCN(C2CCN(C(=O)CN(CCO)CCO)CC2)CC1)[C@@H](F)Cl 1835083746 SZTFBGBPTOVEDJ-QGZVFWFLSA-N 422.929 -0.621 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)n[nH]3)C2)C1 1840031762 BRWDBDOMVTWRRO-BONVTDFDSA-N 417.260 -0.031 50 20 HBGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]n3)C2)C1 1840032203 QVROHTKDIPRGQL-QMTHXVAHSA-N 402.249 -0.342 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCNC(=O)C1)CCO2 1840233215 PSPQOLRJLQEQSL-DEYYWGMASA-N 417.890 -0.777 50 20 HBGD O=C(COC(=O)Cn1ccc([N+](=O)[O-])n1)NNC(=O)[C@@H]1COc2ccccc2O1 728328701 BKXACOBWDWWYLM-LBPRGKRZSA-N 405.323 -0.678 50 20 HBGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c(Cl)c1 728509310 BYKWCBUPSGPOSO-SSDOTTSWSA-N 413.861 -0.626 50 20 HBGD CSC[C@H](C(=O)NNC(=O)C(=O)N1CCCC1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 748247132 UUHFWUFCZNPXAZ-JHJVBQTASA-N 410.496 -0.337 50 20 HBGD CCOc1ccc(C(=O)NNC(=O)CNS(=O)(=O)c2cn(C)cn2)cc1OC 756079872 IWYUDGORXDRADF-UHFFFAOYSA-N 411.440 -0.433 50 20 HBGD Cc1ccc(C(=O)NNC(=O)COC(=O)CNS(=O)(=O)c2cn(C)cn2)cc1 756464187 OKGZLXSBKBUXES-UHFFFAOYSA-N 409.424 -0.989 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 758041538 ZZIORKBXYOWZSR-YPMHNXCESA-N 414.459 -0.237 50 20 HBGD CC(C)OCc1cccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 764226967 LKCLRMYPVJZTHA-NSHDSACASA-N 400.457 -0.365 50 20 HBGD C=CCNC(=S)NNC(=O)Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O 768264212 MCAMTDUCCXFRLU-UHFFFAOYSA-N 401.514 -0.440 50 20 HBGD COC(=O)CSCc1cccc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)c1 783999214 BWLTURSOJSHCLE-UHFFFAOYSA-N 422.463 -0.199 50 20 HBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 784916579 RAUANQXSTNQPJL-UHFFFAOYSA-N 413.456 -0.662 50 20 HBGD CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)=NO1 798847476 ZWYNKGAYNNAONA-VHSXEESVSA-N 404.445 -0.762 50 20 HBGD CC(C)(C)OC(=O)N[C@@H](C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)C(F)(F)F 813421159 QZCVWUKOVWBPBB-SFYZADRCSA-N 418.394 -0.041 50 20 HBGD COc1ccc(CCC(=O)NNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1 919836264 JHGIPTQTODMBNT-CABCVRRESA-N 423.491 -0.189 50 20 HBGD O=C(Nc1cccnc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784091120 KCGHGKFHNYBZGW-MXAVVETBSA-N 410.858 -0.401 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)C1CCOCC1 1786610558 NWCMVNNMHHLSGH-WDSOQIARSA-N 416.283 -0.614 50 20 HBGD CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792979706 BJNZPMIGVJTJRH-OJROKELRSA-N 421.878 -0.981 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(=O)N(C)C)C2 1796892147 LEXXEAQWXFFRAO-ZVMOGAGKSA-N 402.455 -0.153 50 20 HBGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NNC(=O)C1)C2 1800642073 VESZFUDLNOYUND-WJZNIJOASA-N 401.261 -0.375 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(CN(C(=O)COCCO)CCO2)C1 1839194595 IJVNIXJRMRFQGZ-KRWDZBQOSA-N 404.536 -0.697 50 20 HBGD CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)Br)CCO2)C1 1840035651 YXCNAJFNGXIGIK-HSMVNMDESA-N 420.304 -0.249 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1840154165 NTKTVGKMNWODSI-PXAZEXFGSA-N 414.846 -0.906 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccon3)C2)C1 1840183636 QPYDULWMMMFXIS-GOSISDBHSA-N 409.443 -0.882 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2cn3cccnc3n2)C1 1844040594 HVIZTMICUJWYAC-UHFFFAOYSA-N 420.433 -0.141 50 20 HBGD C[C@H](Nc1cnccn1)C(=O)N1CCCC12CN(C(=O)CCC(=O)NN(C)C)C2 1844280809 HUVHCGSBMNZKGC-AWEZNQCLSA-N 403.487 -0.147 50 20 HBGD CC(=O)N1c2ccc(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc2C[C@@H]1C 728510296 WBQMDMRAPGAHLG-UWVGGRQHSA-N 418.497 -0.769 50 20 HBGD CCS(=O)(=O)N[C@H](CCSC)C(=O)NNC(=O)COc1ccccc1O 730781362 LAQMSOAKPQPZOJ-LLVKDONJSA-N 405.498 -0.021 50 20 HBGD COc1ccc(C(=O)NNC(=O)NCCNS(C)(=O)=O)cc1Br 732238375 MTBYKLVPMNPGIO-UHFFFAOYSA-N 409.262 -0.049 50 20 HBGD Cn1c(=O)c2cc(C(=O)NNc3ccccc3S(C)(=O)=O)n(C)c2n(C)c1=O 732305677 OWOKOZQLIOQAOY-UHFFFAOYSA-N 405.436 -0.264 50 20 HBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)ccc1OC 739671640 XFEOFGZFRJBTGD-SECBINFHSA-N 406.438 -0.774 50 20 HBGD NS(=O)(=O)c1ccccc1S(=O)(=O)NNC(=O)CNC(=O)c1cccs1 741653978 QRLSOQVSVVNKJT-UHFFFAOYSA-N 418.478 -0.865 50 20 HBGD Cn1cc(/C=C/C(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)c(=O)n(C)c1=O 743829538 UTVBFGCLPDRXMB-RUDMXATFSA-N 421.435 -0.646 50 20 HBGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NNC(=O)N(C)C)o1 746001724 SZPUWEPAKIWWJM-JTQLQIEISA-N 402.429 -0.088 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NNC(=O)CN2CCCC2=O)cc1 751611138 BTGOEVXIULOVIE-HNNXBMFYSA-N 408.480 -0.082 50 20 HBGD Nc1nc(Cl)cc(NNC(=O)c2ccc3c(c2)S(=O)(=O)N=C2N=CNN23)n1 753454936 MOOAKJQDRRDDIC-UHFFFAOYSA-N 407.803 -0.120 50 20 HBGD CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)NNC(=O)[C@@H]2COCCO2)cc1 756788651 BBWDWCAWSZHFOG-RISCZKNCSA-N 408.411 -0.064 50 20 HBGD Cc1ccc(-c2cc(C(=O)NNC(=O)CN3CCN(S(C)(=O)=O)CC3)n[nH]2)cc1 762957556 YBSXHAJBGLEHCD-UHFFFAOYSA-N 420.495 -0.277 50 20 HBGD CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C(=O)NNC(=O)COC)c1 764299225 AHBOWPFFQYSKNO-UHFFFAOYSA-N 416.456 -0.542 50 20 HBGD NC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)COCc2ccccc2)cc1 764367813 MTHWCNVANAKORT-UHFFFAOYSA-N 400.391 -0.147 50 20 HBGD COCCOc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)cc1Cl 764432614 IPNVDJQYUQWVGO-CYBMUJFWSA-N 401.803 -0.134 50 20 HBGD COc1ccc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(F)c1 765722049 SJZIETCDGKUUAG-UHFFFAOYSA-N 404.358 -0.957 50 20 HBGD CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 766274760 GUBMULRWTYQTTE-KGLIPLIRSA-N 411.484 -0.204 50 20 HBGD O=C1CN(c2ccnc(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)c2)CCN1 786693300 NRENTRHPPFCBIM-UHFFFAOYSA-N 407.394 -0.932 50 20 HBGD COc1cc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)cc(-n2cccn2)c1 792364512 PIRAHBDKHXAQLF-UHFFFAOYSA-N 400.395 -0.411 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(=O)n4[nH]cnc4n3)CCO2)C1 1783875549 OFUBYZUUAXJPDD-GTNSWQLSSA-N 424.845 -0.885 50 20 HBGD CC(=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C[C@@H]21 1786346236 SEUGSXRSYFGOIQ-BIHJWMOISA-N 403.439 -0.311 50 20 HBGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccnn1)C2 1792867738 KKCIHTNRPZVJPA-FMSGJZPZSA-N 400.277 -0.101 50 20 HBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(O)nc1O 1796347725 QTAMQZLUWWJRAI-QCMRWSPLSA-N 400.819 -0.655 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)[C@H]1ON=C(c2ccccc2)O1 1797640518 RYNBSFHQCBBOPA-ZEKKIGMLSA-N 423.853 -0.090 50 20 HBGD CCNC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2 1797700847 VTDVBUGEOKLXFE-SVNGYHJRSA-N 423.283 -0.026 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[C@@H]1CCCS1 1801564873 RMDZWEMVHDXHBQ-FSDCSDTHSA-N 404.297 -0.535 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cn2cnnn2)n[nH]1 1817616915 HJWKBIJNFJSUSO-CYBMUJFWSA-N 418.462 -0.539 50 20 HBGD O=C(c1cnn2ncccc12)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830728051 NOWGFEVTOAJOPE-MAUKXSAKSA-N 423.857 -0.601 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3noc(C)n3)CCO2)C1 1832931020 VAZQZAPQOMAGGB-CXAGYDPISA-N 416.862 -0.369 50 20 HBGD Cc1nocc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1834340342 MOCXFFVFXJKVOV-LJQANCHMSA-N 423.470 -0.574 50 20 HBGD NC(=O)CC[C@H](N)C(=O)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836716893 WSLIBITVPRIJFM-LSDHHAIUSA-N 418.922 -0.823 50 20 HBGD C[C@H](O)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837921595 RIQUHIUOUZUTHQ-AWEZNQCLSA-N 404.272 -0.641 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)N(C)C)C2)C1 1839141320 DXNMHYZYWHLWBV-CXAGYDPISA-N 404.895 -0.269 50 20 HBGD CCNC(=S)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](Cl)CC)CCO2 1839148411 XSYJNGARABPBGY-CXAGYDPISA-N 420.963 -0.056 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(N)=O)C2)C1 1839155141 KKIRSDRPPCNKTQ-CVEARBPZSA-N 410.298 -0.055 50 20 HBGD CN1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)C1 1839203799 WPUNJHGIGZOZDB-DOMZBBRYSA-N 408.268 -0.305 50 20 HBGD O=C([C@H](O)CCl)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1[C@H]3SC=C[C@H]31)CCO2 1839694704 RIOTWYOOVQASQK-SMRWVPHVSA-N 402.900 -0.082 50 20 HBGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(N)=O)C2)C1 1839967145 CCTNKTJRNXXQSY-ABAIWWIYSA-N 421.292 -0.715 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc[nH]3)C2)C1 1840185825 UAPJUBFCUJZZMI-IBGZPJMESA-N 407.471 -0.542 50 20 HBGD O=C(CCNS(=O)(=O)c1ccccc1F)NNC(=O)[C@H]1CCS(=O)(=O)C1 728371085 ZTJJGNSPXOPLCQ-JTQLQIEISA-N 407.445 -0.924 50 20 HBGD CCn1nc(C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)ccc1=O 732051073 SQEALGXVJQFKSH-UHFFFAOYSA-N 407.452 -0.347 50 20 HBGD COc1ccccc1NCC(=O)NNC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 743293737 JJGDNZVLKPNFPD-KNCCTNLNSA-N 416.434 -0.193 50 20 HBGD Cc1cccc(C(=O)NNC(=O)CN2CCN(S(=O)(=O)Cc3ccon3)CC2)c1 744414074 DZERGXSOEGYERU-UHFFFAOYSA-N 421.479 -0.108 50 20 HBGD CC[C@@H](C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)N1CCCC1=O 745691879 PSHKSPLHOFDZFA-WFASDCNBSA-N 405.407 -0.082 50 20 HBGD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NNC(=O)C(=O)N1CCCC1 748245891 TXRDPLKEJIRWBT-UHFFFAOYSA-N 413.412 -0.967 50 20 HBGD COCCO[C@@H](C)C(=O)NNC(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 748625766 VASMCZDDRZPYTC-HNNXBMFYSA-N 422.486 -0.498 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2 758044355 LZRCAYOCHOBUNR-HDPALTEOSA-N 414.528 -0.206 50 20 HBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 765638426 MLJSVNPFAUVKAM-NSHDSACASA-N 409.468 -0.323 50 20 HBGD COc1ccc(S(=O)(=O)N2CCCN(CC(=O)NNC(=O)C3CC3)CC2)cc1 767094517 ZTQWEIBQQFXPCJ-UHFFFAOYSA-N 410.496 -0.051 50 20 HBGD COCCO[C@@H](C)C(=O)NNC(=O)NCCNS(=O)(=O)c1ccc(C)s1 772629739 GUVPHVLGOIHOCT-NSHDSACASA-N 408.502 -0.283 50 20 HBGD COc1ccc(Cn2ccc(NC(=O)C(=O)NNC(=O)[C@@H]3COCCO3)n2)cc1 778710772 JJRURSFAOPVVFT-AWEZNQCLSA-N 403.395 -0.559 50 20 HBGD NC(=O)[C@@H]1CCC[C@H](C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)C1 787834450 LTRNCESPZJFSSP-XUJVJEKNSA-N 405.407 -0.191 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cccc(OC(F)(F)F)c1F 793392670 SHFSRWUCUPMOHR-ZCFIWIBFSA-N 423.366 -0.029 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CNS(=O)(=O)c2cnn(C)c2)cc1C 798308837 OYCYHGGEABYYLF-UHFFFAOYSA-N 408.440 -0.899 50 20 HBGD CCc1cc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)ccc1O 813487906 NFHLODZGRVECSG-UHFFFAOYSA-N 400.395 -0.837 50 20 HBGD C=CCNS(=O)(=O)c1cc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)ccc1F 914470669 VPIZHJHJGQPKQK-LLVKDONJSA-N 419.456 -0.514 50 20 HBGD Cc1csc(CC(=O)NNC(=O)CN2CCCC[C@@H]2CNS(C)(=O)=O)n1 914612493 LGRAQNHLBJNMAM-GFCCVEGCSA-N 403.530 -0.455 50 20 HBGD Cc1cc(=O)c(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)c[nH]1 1160865203 IGOWLWNOZBFFGY-UHFFFAOYSA-N 406.468 -0.229 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)[C@H]3CCCS3)C2)C1 1784792483 XVVNAMWAQFBDGZ-APWZRJJASA-N 404.297 -0.295 50 20 HBGD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)on1 1786073100 QEQQWRMFGCATSY-DZKIICNBSA-N 407.471 -0.051 50 20 HBGD CC[C@H](C)[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786980107 JVESXVNHLUFWKR-LEYVVWKUSA-N 418.299 -0.633 50 20 HBGD COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)cc1 1795735269 UMPJEKJGOUAOJW-XEMDLRDOSA-N 424.262 -0.108 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccccn1 1795882308 QQXGYSKOFPMGOU-YVWYUNDQSA-N 403.483 -0.413 50 20 HBGD O=C(NC[C@@H]1CCN(C(=O)Cn2ccncc2=O)[C@H]1c1cccnc1)[C@H](O)CCl 1803147424 HSSBTXTXYRIGEZ-DAYGRLMNSA-N 419.869 -0.056 50 20 HBGD O=C(O)C#CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817475936 VWZLQUGHWNVFFS-OAHLLOKOSA-N 410.195 -0.517 50 20 HBGD O=C(NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1)c1ccc(O)nn1 1834068250 KOSSZVMJLDESLQ-OAHLLOKOSA-N 411.890 -0.033 50 20 HBGD COC(=O)NCC(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834826632 SMVBXTRKRGUOGN-OAHLLOKOSA-N 422.276 -0.416 50 20 HBGD O=C([C@H](O)CCl)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)c1ccccc1)CCO2 1835294999 KXHVGVXUPULUMK-GPMSIDNRSA-N 412.870 -0.224 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCC3)C2)C1 1837456090 CAHOUQCXCHGALI-HXUWFJFHSA-N 417.466 -0.445 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3C[C@H](O)CN3)CC2)CC1 1838622995 WGPDZZVLRCERTM-XKQJLSEDSA-N 417.934 -0.038 50 20 HBGD C/C=C/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1839837190 RJXLNFAGASHHBN-YTNPLVHFSA-N 408.499 -0.052 50 20 HBGD CC(=O)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Br)CCO2 1840035347 OAFAFEDMSGLPOZ-BLLLJJGKSA-N 420.304 -0.248 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2cnc3[nH]ncc3c2)C1 1844016275 XLNDXYOCDURNFV-UHFFFAOYSA-N 405.223 -0.232 50 20 HBGD O=C(CN1CCSCC1)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(B(O)O)c1 1847246870 GTDMMHNWUHGPBA-IRXDYDNUSA-N 403.313 -0.769 50 20 HBGD Cn1cc(C(=O)NNC(=O)CCc2nc3c([nH]2)c(=O)[nH]c(=O)n3C)c2ccccc21 144391044 UBDVPWMJSCOOJN-UHFFFAOYSA-N 409.406 -0.165 50 20 HBGD COc1cc(OC)cc(C(=O)NNC(=O)NNC(=O)CNC(=O)c2ccco2)c1 725871067 FYIJARBAZBHJAF-UHFFFAOYSA-N 405.367 -0.298 50 20 HBGD CC(C)CN1C(=O)/C(=C\NNC(=O)CNC(=O)c2cccs2)C(=O)NC1=S 725905230 ZRCXPHDNXDSQHE-POHAHGRESA-N 409.493 -0.118 50 20 HBGD C[C@@H](CC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1 729171079 KVAORFDFGSNZCC-QWRGUYRKSA-N 406.457 -0.040 50 20 HBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)CNC(=O)c2ccco2)ccc1OC 739668857 VCGUWRVWOIHWNW-UHFFFAOYSA-N 411.392 -0.186 50 20 HBGD Cc1cc(F)c(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] 742028437 LTKSHSLPJCJGRZ-QMMMGPOBSA-N 410.405 -0.278 50 20 HBGD CC(C)OCCS(=O)(=O)NCC(=O)NNC(=O)c1ccc2c(c1)OCCO2 747906913 XHKNCOFYTOSKLL-UHFFFAOYSA-N 401.441 -0.437 50 20 HBGD O=C(NNC(=O)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1)C(=O)N1CCCC1 748240527 GOYOOXJOCBHTMH-KGLIPLIRSA-N 408.455 -0.262 50 20 HBGD C[C@@H](NC(=S)NNC(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21)C1CC1 751620644 XMSWFHXGMNGUPO-MRVPVSSYSA-N 413.481 -0.464 50 20 HBGD Cc1oc(S(N)(=O)=O)cc1C(=O)NNC(=O)c1csc(N2CCOCC2)n1 754189530 FXXIUABCZVCDOM-UHFFFAOYSA-N 415.453 -0.397 50 20 HBGD CCc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cnn(CC(=O)NC)c1 763710892 CZOUZUPWUGAYIT-UHFFFAOYSA-N 402.411 -0.644 50 20 HBGD CCOCC(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 764318406 UFCHTAUFEYCSHQ-UHFFFAOYSA-N 412.468 -0.016 50 20 HBGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 764397798 NFHMWJPLPCAKMR-LLVKDONJSA-N 417.426 -0.188 50 20 HBGD COC(=O)c1ccc(N2CCCC2)c(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)c1 764433392 MVQZYYBIPBLKPV-OAHLLOKOSA-N 420.422 -0.425 50 20 HBGD COc1ccc(S(=O)(=O)NNC(=O)CNC(=O)OC(C)(C)C)cc1C(N)=O 777940335 ZLRFGGUHRRWJBO-UHFFFAOYSA-N 402.429 -0.372 50 20 HBGD O=C(/C=C/C(=O)Nc1ccc2n[nH]cc2c1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 778645573 JLOOFAWEFGPEFG-AAOUONPWSA-N 406.424 -0.425 50 20 HBGD Cc1csc(CC(=O)NNC(=O)COC(=O)CCn2c(C)cc(O)cc2=O)n1 782282870 DYGLKPRIBRBECY-UHFFFAOYSA-N 408.436 -0.049 50 20 HBGD COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@H]1CCc2nncn2C1 816884933 MINXGVCQUGFTOM-NWDGAFQWSA-N 424.458 -0.166 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cccc(OCC(N)=O)c2)c1 912985331 GICMQDPWZXINIH-UHFFFAOYSA-N 420.447 -0.124 50 20 HBGD CN(C)N(C(=O)c1cc(S(=O)(=O)N(C)C)ccc1O)[C@@H]1CCS(=O)(=O)C1 1117717708 UYJMESDDKAZLDL-LLVKDONJSA-N 405.498 -0.252 50 20 HBGD CCN(C)[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1782609746 CZUXNVKGPMEUBV-YWZLYKJASA-N 403.288 -0.850 50 20 HBGD C[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1 1783533935 MHJASJXDTNSKBV-ZUZCIYMTSA-N 415.292 -0.067 50 20 HBGD C[C@H](C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)n1cncn1 1784484696 NVJNXVQFYOKMFS-KDOFPFPSSA-N 407.475 -0.958 50 20 HBGD NC(=O)[C@H](N)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCBr)[C@H]2C1 1786406082 QGPJWFIEBWXAOY-RVMXOQNASA-N 419.320 -0.656 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@@H](N)C(N)=O 1795635690 HLPQOKKRJFLXEY-QIJJUMSOSA-N 409.314 -0.595 50 20 HBGD CS(=O)(=O)N1CCC(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H](O)CCl)C3)CC1 1797705312 PMSDVEGCSGXLBA-LXTVHRRPSA-N 421.947 -0.104 50 20 HBGD Cn1cnc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)n1 1816320026 TWFQCVJTIQJYJN-HNNXBMFYSA-N 423.242 -0.162 50 20 HBGD C[C@H](CC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834819477 OTYDZEMNESJUNU-MLGOLLRUSA-N 420.304 -0.261 50 20 HBGD CC(C)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835932001 KGPOTNJWBVMJSJ-OAQYLSRUSA-N 418.299 -0.127 50 20 HBGD CC(C)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837456732 MTNNCLOOCJRYOP-HXUWFJFHSA-N 419.482 -0.199 50 20 HBGD O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839202330 AQCMWAFRHDZYIE-GXTWGEPZSA-N 407.192 -0.779 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCOCC3)C2)C1 1840151486 DUHJYELTRVLYCX-MAUKXSAKSA-N 419.906 -0.971 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2cc3cn[nH]c3cn2)C1 1844153970 ZHXUUWKSKBBVHI-UHFFFAOYSA-N 405.223 -0.232 50 20 HBGD CN(C)N(C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)[C@@H]1CCS(=O)(=O)C1 728177589 DYSWEGATCGJRLQ-GFCCVEGCSA-N 412.424 -0.188 50 20 HBGD Cc1ccc(C(=O)N2CCC[C@H](C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)C2)cc1 729275111 LDUQRGMKFFNOFR-ZFWWWQNUSA-N 410.496 -0.068 50 20 HBGD Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 729276219 ZQRODTWEBNGIIF-JTQLQIEISA-N 407.456 -0.764 50 20 HBGD CCC(=O)NNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc3nc(O)[nH]c3c2)CC1 732196991 JHLBTXRAIJNYBI-LLVKDONJSA-N 424.483 -0.479 50 20 HBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCN(S(=O)(=O)Cc2ccon2)CC1 744414933 KSSOBNSXOXCBJF-ZDUSSCGKSA-N 401.489 -0.296 50 20 HBGD Cc1cc(=O)c(C(=O)NNC(=O)[C@@H]2COCCO2)nn1-c1ccccc1[N+](=O)[O-] 744643102 AMAXTTMFIUNYCF-AWEZNQCLSA-N 403.351 -0.374 50 20 HBGD CN(CC(=O)NNC(=O)C(=O)N1CCCC1)C(=O)c1ccc(Br)o1 748240370 USYBNPWFUMZYRT-UHFFFAOYSA-N 401.217 -0.116 50 20 HBGD O=C(CNC(=O)c1cccs1)NNC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 749947089 DPGNIJHAOUKGPS-ZDUSSCGKSA-N 409.449 -0.645 50 20 HBGD O=C(NNC(=O)[C@H](c1ccccc1)N1CCC(O)CC1)N[C@@H]1CCS(=O)(=O)C1 751461505 UBCHPMDHDNJPLU-ZBFHGGJFSA-N 410.496 -0.298 50 20 HBGD COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)Cc2cc[nH]n2)c1 755282988 UQHXLUNMIXNWPI-UHFFFAOYSA-N 415.859 -0.009 50 20 HBGD Cc1cc(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc(C(=O)O)c1C 760343842 HZXIQTFWONKSPJ-SNVBAGLBSA-N 405.454 -0.319 50 20 HBGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cnn(CC(=O)NC3CC3)c2)cc1 763822013 UOSPSFYQMFXALY-UHFFFAOYSA-N 414.422 -0.365 50 20 HBGD CCc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)cc1 763830603 QTELDIKTEQFFJO-UHFFFAOYSA-N 410.434 -0.020 50 20 HBGD CCN(CC)S(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)CN(C)C)ccc1C 764210321 AOHRIYGOMBBOCN-UHFFFAOYSA-N 413.500 -0.327 50 20 HBGD C[C@@H](c1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)c1)N1CCOCC1 764424697 KLHCNTNHTIOVRC-BBRMVZONSA-N 406.439 -0.419 50 20 HBGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)c(Br)c1 764431423 CSVBPAUHGNXWTN-LLVKDONJSA-N 402.201 -0.041 50 20 HBGD Cc1ccc(-c2cc(C(=O)NNC(=O)Cn3cc(S(N)(=O)=O)cn3)n[nH]2)cc1C 765559428 LIQQHPIUXMOHEZ-UHFFFAOYSA-N 417.451 -0.001 50 20 HBGD CC(C)(C)OC(=O)N1CCC[C@H](OCC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 767817859 HCACYYDGONHLPI-OLZOCXBDSA-N 419.500 -0.015 50 20 HBGD C[C@H](CCN1CCN(C)CC1)NC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 770308543 UCUFHLFUEYWPBC-CQSZACIVSA-N 401.475 -0.368 50 20 HBGD CCOC(=O)c1cnc(NNC(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)nc1C 778425457 AAYGZCWKLMZEBY-BTXBGFNFSA-N 417.422 -0.044 50 20 HBGD CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)=NO1 798847474 ZWYNKGAYNNAONA-UWVGGRQHSA-N 404.445 -0.762 50 20 HBGD NS(=O)(=O)CCN1CCN(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)CC1 799927179 SSQVVCQUZHPWPG-UHFFFAOYSA-N 421.483 -0.867 50 20 HBGD COc1cc(C)c(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c(C)c1C 806978240 SHWPKHIXUYUZDM-NSHDSACASA-N 400.457 -0.356 50 20 HBGD CN(C)N(C(=O)c1ccc(CCNS(C)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1317728556 LYFBRJPBCWWIMH-OAHLLOKOSA-N 403.526 -0.116 50 20 HBGD COc1ccccc1C(=O)NNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 1318450234 MAWKTQJYOMGXCH-LLVKDONJSA-N 408.436 -0.378 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)Cn3cccn3)CCO2)C1 1779031195 NJYRTZREOKVNOP-IBGZPJMESA-N 413.438 -0.975 50 20 HBGD CCN(C)[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1782618647 SDWDRMYSXQUTIU-XOBRGWDASA-N 418.498 -0.531 50 20 HBGD CCn1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)n1 1783936757 SZCXZTDAQXUPQL-IBGZPJMESA-N 406.487 -0.281 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)n3)C[C@@H]21)[C@@H](O)CCl 1784090707 LIDLYMBZGKYHNJ-QSFUFRPTSA-N 400.819 -0.919 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCCS3)C2)C1 1784792488 XVVNAMWAQFBDGZ-VQIMIIECSA-N 404.297 -0.295 50 20 HBGD CC[C@@H](C)[C@@H](N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1786824851 OUZPFXIXPXYBFH-XZLOLGPPSA-N 411.547 -0.288 50 20 HBGD NC(=O)c1ncccc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1794561163 WAWCFRCWEOTGIS-MUJYYYPQSA-N 422.250 -0.574 50 20 HBGD O=C(CCBr)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccncc1=O)C2 1795116318 ABLQRKKCROYTPA-DRXBFXEBSA-N 413.272 -0.382 50 20 HBGD CC[C@@H](C)[C@H](N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1795547750 GDGIDVGNRGCSGJ-ZWNONLRRSA-N 418.498 -0.738 50 20 HBGD CCCC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1 1830730600 BWMQAEPBVVBJQH-GLJUWKHASA-N 419.906 -0.653 50 20 HBGD Cn1nc(C(=O)N2CCC(N3CCC(NC(=O)[C@@H](O)CCl)CC3)CC2)cc1O 1833307925 DTAQTEPQEPFGBC-HNNXBMFYSA-N 413.906 -0.089 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncn3C)CCO2)C1 1834331244 FVTNLGSFJCBCAY-CXAGYDPISA-N 400.863 -0.256 50 20 HBGD Cc1nc(N)sc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1835800533 FHJIATMBVKTKCU-BDJLRTHQSA-N 418.903 -0.297 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CSCC(=O)O)CCO2)C1 1840194421 NHACQSNMSIEOIZ-BLLLJJGKSA-N 424.903 -0.486 50 20 HBGD O=C(CCc1cnccn1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840455157 CRMPKQAGDLWOPO-MAUKXSAKSA-N 412.874 -0.535 50 20 HBGD COCCn1ccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)n1 1843011218 FDGNNNZYVSUEAE-UHFFFAOYSA-N 412.255 -0.660 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1846361650 HAUYPEZZZYRXGR-LLVKDONJSA-N 416.887 -0.091 50 20 HBGD C[C@](O)(C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(B(O)O)c1)C(F)(F)F 1847989154 GHBQKMHMQONCIN-XEZPLFJOSA-N 400.162 -0.505 50 20 HBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 8391942 MZWJCRVDIMRGGK-GFCCVEGCSA-N 414.459 -0.102 50 20 HBGD CS(=O)(=O)CCCC(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 731258791 CWQBUAZUTMNPGZ-ZDUSSCGKSA-N 400.409 -0.658 50 20 HBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)[C@@H]2CC(=O)N(C3CC3)C2)CC1 735117588 YOKLLYGGPADIGN-CYBMUJFWSA-N 422.511 -0.528 50 20 HBGD CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)CNC(=O)c2cccs2)o1 751209913 YBAFDSHRKLPTIF-UHFFFAOYSA-N 400.438 -0.218 50 20 HBGD C[C@@H]1CC(=NNC(=O)C[C@H](C(=O)NN=C2C[C@@H](C)N(C)C2)N2CCOCC2)CN1C 761811250 DPJILYOREIKBBY-IIDMSEBBSA-N 421.546 -0.530 50 20 HBGD O=C(NNC(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1cccc(-n2cnnn2)c1 764003520 FMVVYRNLJLZGNQ-UHFFFAOYSA-N 409.362 -0.167 50 20 HBGD NC(=O)c1n[nH]c2ccc(NC(=O)C(=O)NNC(=O)[C@@H]3Cc4ccccc4O3)cc12 764162615 DCOOGLOLDRMUNI-AWEZNQCLSA-N 408.374 -0.249 50 20 HBGD CC(C)OC(=O)NCc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)cc1 764425736 RVCPHKHJONTPDA-CQSZACIVSA-N 408.411 -0.178 50 20 HBGD CO[C@]1(CNC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)CCOC1 764803998 QBSQKEIBFFHDTD-KRWDZBQOSA-N 414.484 -0.249 50 20 HBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1cccc(C#N)c1 795328458 WDBYOYQAUUXXSU-LBPRGKRZSA-N 410.452 -0.038 50 20 HBGD COc1ccc(C(=O)NNC(=O)COC(=O)[C@@H](C)n2cnc(C#N)n2)cc1OC 798740654 ZNFYJFPFUWYVSP-SNVBAGLBSA-N 402.367 -0.268 50 20 HBGD Cc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 913154133 JNWRIIMGNKIEDV-UHFFFAOYSA-N 415.435 -0.290 50 20 HBGD O=C(NCCNC(=O)C1CC1)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 915906417 JPLVSJQYYMTLIY-UHFFFAOYSA-N 423.495 -0.059 50 20 HBGD COc1ccccc1CC(=O)NNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 919820314 SIQBXMKAJZXPJP-CYBMUJFWSA-N 422.463 -0.449 50 20 HBGD C[C@@H](C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1 919886379 RRCKDNRJXBBQDB-GXSJLCMTSA-N 407.445 -0.495 50 20 HBGD O=C(c1c[nH]c(=O)cn1)N1CC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1780248326 BDTDIJGAKADIMZ-RISCZKNCSA-N 403.208 -0.096 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)C(=O)Nc1cccnc1 1788713185 NQUUBORQGJFFNE-MXAVVETBSA-N 410.858 -0.401 50 20 HBGD Cc1ccc(C(=O)NCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)cc1 1792983435 NQIPFYIMRKPBHK-DFGXFYAUSA-N 423.897 -0.086 50 20 HBGD Cc1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)s1 1794547329 HIVOOVYPISHEIB-MIFYACCESA-N 415.280 -0.352 50 20 HBGD Cc1ncoc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1794857211 SRMQGHBPOHCOCN-JJLQDPRZSA-N 414.422 -0.501 50 20 HBGD Cc1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795738708 ABGJNGFEKKKECB-HGKCTWBKSA-N 409.251 -0.413 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cn2ncccc2n1)c1ccc(B(O)O)cc1 1797569499 CXTSNDSTHBEPGX-BJWYYQGGSA-N 419.250 -0.025 50 20 HBGD C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)NC(=O)NCc1ccccc1 1799097500 MZPNHXQWLMLYNP-XEMDLRDOSA-N 413.478 -0.445 50 20 HBGD C[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCC(=O)NN(C)C)N1CCN(C)CC1 1802337943 INNXJKYTQYEHHF-FJIDUMEYSA-N 422.574 -0.367 50 20 HBGD O=C(NC[C@@H]1CCN(C(=O)[C@H]2C[C@@H](O)C2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374183 FDGGQAQKHVBOJO-XEYPJELSSA-N 423.278 -0.148 50 20 HBGD O=C(CN(CCO)CCO)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](F)Cl)CC2 1825324592 YXLYKWZUSHOJGT-RNCFNFMXSA-N 408.883 -0.124 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C2=NNC(=O)C2)CC1 1828863917 DQDRPIHRWPUEQF-INIZCTEOSA-N 420.514 -0.145 50 20 HBGD CCn1nccc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830724090 CVKJFNIGCUOQNE-PBHICJAKSA-N 400.863 -0.427 50 20 HBGD CC[C@@H](NC(N)=O)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833310736 QRXMXHJTFXGFFU-HUUCEWRRSA-N 417.938 -0.395 50 20 HBGD CC(C)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1835632378 MTNOEIXBXBUDKT-GOSISDBHSA-N 415.922 -0.452 50 20 HBGD O=C1CC(C(=O)N2CCC(OC3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)=NN1 1836717002 DDQQFDXKENYDSC-AWEZNQCLSA-N 400.863 -0.539 50 20 HBGD Cc1cc(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)nc2nccn12 1845639983 HPMIRRTWYZRKRI-UHFFFAOYSA-N 419.250 -0.152 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)[C@H](O)Cc2ccccc2)C1 1846064559 AHIWZXSANHEEBR-LJQANCHMSA-N 408.263 -0.213 50 20 HBGD CN(C)C(=O)N1CCN(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CC1 728960193 WBPFJIIMZMYUQK-UHFFFAOYSA-N 404.475 -0.267 50 20 HBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)[C@@H]1CCC(=O)N1 732257712 YWGMTGUQPWJGNK-HNNXBMFYSA-N 424.479 -0.934 50 20 HBGD CS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)o1 733588048 LSGZMHRJOILXER-CYBMUJFWSA-N 424.387 -0.173 50 20 HBGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)NCCN1C(=O)CNC1=O 733657033 FTHOOGCQVABQJZ-UHFFFAOYSA-N 417.470 -0.919 50 20 HBGD CS(=O)(=O)N1CCN(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CC1 743588651 DIHWBTIWYHMFJX-UHFFFAOYSA-N 411.488 -0.989 50 20 HBGD CCn1c(=O)nc(O)c2c(C(=O)NNC(=O)[C@@H]3COCCO3)cc(C(C)C)nc21 744643875 YHQHFQNLDWHLDZ-LBPRGKRZSA-N 405.411 -0.183 50 20 HBGD Cc1cccc(C(=O)NNC(=O)COC(=O)CNS(=O)(=O)c2cn(C)cn2)c1 756456387 CAHMKLAMOJICAX-UHFFFAOYSA-N 409.424 -0.989 50 20 HBGD C[C@@H]1CN(C(=O)Cn2cc(NC(=O)NNC(=O)c3cnn(C)c3)cn2)C[C@@H](C)O1 756839037 PQQWGJHRQKNQPD-VXGBXAGGSA-N 404.431 -0.281 50 20 HBGD Cc1cc(NC(=O)C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])c(=O)n(C)c1 763802782 GUMUVRPPSSJBFQ-UHFFFAOYSA-N 403.351 -0.233 50 20 HBGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)C(=O)Nc1cnn(-c2ccccc2)n1 763920375 IBWBVBISOLUTII-UHFFFAOYSA-N 418.377 -0.357 50 20 HBGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)ccc1Br 764229907 DSTFYKZXXOBVJU-MRVPVSSYSA-N 421.273 -0.219 50 20 HBGD C[C@@H](C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)n1cnc2ccccc21 766637061 RYCBHXNBOBKBCQ-NSHDSACASA-N 424.421 -0.808 50 20 HBGD CC(=O)NNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 767811601 SZJFBOIBELJKCB-UHFFFAOYSA-N 400.432 -0.394 50 20 HBGD CC1(C)NC(=O)N(CCCC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1=O 769597916 WOHCYNNFNRIJKU-UHFFFAOYSA-N 400.399 -0.466 50 20 HBGD COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NNc2nccn(C)c2=O)C1=O 771599664 MURAYSIIMLWJSZ-GOSISDBHSA-N 400.395 -0.301 50 20 HBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 771970183 VCUIHGNMQWTBQR-SNVBAGLBSA-N 405.411 -0.629 50 20 HBGD Cc1nc2ccccn2c1C(=O)NNC(=O)NCCNS(=O)(=O)c1cccnc1 772973762 WYXAHAKMVGQBEB-UHFFFAOYSA-N 417.451 -0.040 50 20 HBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 779622176 HTUFODYKWYSBNP-CABCVRRESA-N 404.533 -0.305 50 20 HBGD CCNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)c(C)c1 784002220 MDVBHEONSRRYQC-UHFFFAOYSA-N 415.406 -0.146 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNC(=O)N=c2cc[nH]cc2)c1 802026297 DQJSSGOKYPEWSW-UHFFFAOYSA-N 420.451 -0.664 50 20 HBGD CNS(=O)(=O)N1CCC(C(=O)NNC(=O)CSc2ccccc2O)CC1 802941849 JKSBMNGPGGVJRZ-UHFFFAOYSA-N 402.498 -0.192 50 20 HBGD CNc1nc(C)cc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)n1 805619947 NBASOESJDLMVGG-AWEZNQCLSA-N 401.379 -0.029 50 20 HBGD Cn1cc([C@@H]2C[S@](=O)CCN2CC(=O)NNC(=O)c2cccc(C#N)c2)cn1 805751925 SRHJSXPYFJWEHM-DEXQXJORSA-N 400.464 -0.142 50 20 HBGD CC1(C)C(=O)Nc2ccc(S(=O)(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)cc21 1332162330 UYHACBAULVCJRF-SECBINFHSA-N 401.466 -0.340 50 20 HBGD CC(C)CNC(=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2 1778111819 FULNAQGDHWNARC-HBUWYVDXSA-N 403.907 -0.128 50 20 HBGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CNC(=O)C1)C2 1782179231 IRLJFBDFYZHVEN-UHQDVWGKSA-N 401.891 -0.110 50 20 HBGD O=C1Cc2cccc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@@H](O)CCl)c2N1 1792984360 YQIKBEZHNGCPQX-LMWOUKEDSA-N 407.854 -0.016 50 20 HBGD O=C([C@H](O)CCl)N1CCCC2(CCN(C(=O)[C@H](O)N3CCOCC3)CC2)C1 1805522666 KGRQNYBPEUZSTK-PBHICJAKSA-N 403.907 -0.532 50 20 HBGD CSCC[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830738637 RGLYWULMQFEWDL-WOSRLPQWSA-N 410.920 -0.844 50 20 HBGD CC[S@](=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](Cl)COC)C2)C1 1837247320 XCZOBQNAOXKVHE-SQDTZKNQSA-N 424.947 -0.145 50 20 HBGD CC(C)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837456726 MTNNCLOOCJRYOP-FQEVSTJZSA-N 419.482 -0.199 50 20 HBGD O=C(c1n[nH]c2c1CS(=O)(=O)C2)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847560583 XGOZOWGEUMGJPE-SDDRHHMPSA-N 402.860 -0.747 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1sccc1S(=O)(=O)N1CCCC1 729275966 UHOPNQRMJMBLRO-VIFPVBQESA-N 424.526 -0.769 50 20 HBGD COc1ccccc1C(=O)NNC(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21 731494094 KWZFSAUAMVQERS-UHFFFAOYSA-N 420.403 -0.288 50 20 HBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc(S(=O)(=O)NCCOC)cc1 740852010 GUPJWOGPPXPQJI-UHFFFAOYSA-N 414.484 -0.323 50 20 HBGD COc1cc(C(=O)NNC(=O)N2CCOCC2)cc(NS(C)(=O)=O)c1OC 742595304 FXGLELJNAASHQR-UHFFFAOYSA-N 402.429 -0.238 50 20 HBGD Cc1c(C(=O)NNC(=O)Cc2cn3ccccc3n2)cnc2c1c(=O)n(C)c(=O)n2C 747913558 KUNIQLJFQJXAOO-UHFFFAOYSA-N 421.417 -0.408 50 20 HBGD O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)NNC(=O)Cc1cc[nH]n1 755284879 GBJFQTXKZRGHFU-UHFFFAOYSA-N 423.451 -0.371 50 20 HBGD CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)CBr)CC1 758527094 GQQJXQFEWQNTDB-SNVBAGLBSA-N 418.335 -0.763 50 20 HBGD COC(=O)c1ccc(OC(C)C)c(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)c1 764427396 ZINXIYKSAPBRHR-CQSZACIVSA-N 409.395 -0.238 50 20 HBGD Cc1cc(NC(=O)C(=O)NNC(=O)CO)n([C@@H]2CCN(Cc3ccccc3)C2)n1 764428217 CYKVUKMKJCMHFE-OAHLLOKOSA-N 400.439 -0.283 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@@H]2C[C@@]23CCc2ccccc23)n(C)c1=O 765727767 MXSCZQGTDRBUMP-LHSJRXKWSA-N 422.445 -0.515 50 20 HBGD O=C(NNC(=O)C(=O)NC1CC1)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 782964316 CBTXXGGRDOMORX-UHFFFAOYSA-N 417.466 -0.084 50 20 HBGD COCc1cc(C(=O)OC)cc(S(=O)(=O)NNC(=O)[C@H]2CCc3nncn3C2)c1 793445611 AAUTWFUXONNHFF-LBPRGKRZSA-N 423.451 -0.217 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2ccnn2-c2ccc(F)cc2)n(C)c1=O 794525022 SAPFUMFOLSCCNM-UHFFFAOYSA-N 424.396 -0.091 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)N1CCCN(S(=O)(=O)C2CC2)CC1 801749440 YGKQEGBBVOWIKN-UHFFFAOYSA-N 413.456 -0.750 50 20 HBGD Cc1cc(C(=O)NNc2ccc(-n3ccnc3)nn2)nc2c1c(=O)n(C)c(=O)n2C 804956629 VLBLTWKZNJFJOO-UHFFFAOYSA-N 407.394 -0.327 50 20 HBGD COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)C(=O)N1CCCC1 806717806 PRAUSDZEZHTHIX-NSHDSACASA-N 400.432 -0.397 50 20 HBGD O=C(CNS(=O)(=O)c1cccc(Br)c1)NNC(=O)Cc1cc[nH]n1 810355985 GXZPVCALBMBZOW-UHFFFAOYSA-N 416.257 -0.159 50 20 HBGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)cc1-n1nnnc1C1CC1 815778259 JFHIENVMOKZGFJ-CQSZACIVSA-N 415.410 -0.187 50 20 HBGD O=C(CCn1cnc2ccc(Br)cc2c1=O)NNC(=O)C(=O)NC1CC1 818025552 YUJMNPKVQMLJEY-UHFFFAOYSA-N 422.239 -0.025 50 20 HBGD COCCCNC(=S)N(C)NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 1337038284 ATVAOEOPBQYFPU-NSHDSACASA-N 419.529 -0.974 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)C(=O)C3CC3)CCO2)C1 1779028632 GEGRJXAJDAVGEI-IBGZPJMESA-N 401.423 -0.892 50 20 HBGD CC(C)[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779029416 RZLDYHITKQFRKP-HNAYVOBHSA-N 405.455 -0.855 50 20 HBGD CCc1cc(C(=O)N2CC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)n(C)n1 1779626128 LLBUEJRAIGLYTD-HXUWFJFHSA-N 420.514 -0.201 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccn1)C2 1782210791 MGBAYIAVWMCNGV-OXQOHEQNSA-N 418.498 -0.023 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccnn3)C[C@@H]21)c1cccc(B(O)O)c1 1786983854 AXVYLZLIMMUPSP-ZVZYQTTQSA-N 410.239 -0.937 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc4ncccn4n3)[C@H]2C1 1787940451 ZFYBQMWYXRVVRF-XUXIUFHCSA-N 422.873 -0.029 50 20 HBGD CC(C)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)N3CCOCC3)[C@H]2C1 1788646457 WWGVBNFTCGSHKW-QBYUYEEZSA-N 417.934 -0.118 50 20 HBGD CC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)C(C)(C)C 1793190291 IASLOONIIRTVPO-AIEDFZFUSA-N 403.907 -0.274 50 20 HBGD CCC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795737697 KYJLFWZMKNTRGZ-FSDCSDTHSA-N 408.691 -0.023 50 20 HBGD C[C@H](NC=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834823978 PAPSYJBSWRSCQD-SWLSCSKDSA-N 406.277 -0.638 50 20 HBGD O=C1C[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)CN1 1834824789 MMSAIIQRIRCHAG-LRDDRELGSA-N 418.288 -0.636 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)C34CC(C3)C4)C2)C1 1835934515 WOFBHUWZVOVOES-UJWQOHNOSA-N 414.267 -0.764 50 20 HBGD CC(=O)C(=O)N1CCC(OC2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1837625173 WMRUIIHJVBZFRM-UHFFFAOYSA-N 417.466 -0.114 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1 1837715293 HUUNUROYUSMHMO-KRWDZBQOSA-N 412.519 -0.830 50 20 HBGD COC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1837731354 VZRASQKAYHIJSK-ZENOOKHLSA-N 409.842 -0.872 50 20 HBGD CSCC[C@@H](O)C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1846395213 SLQOCKUNBQENMN-CQSZACIVSA-N 407.496 -0.384 50 20 HBGD Cc1csc(CC(=O)NNC(=O)CN2CCCC[C@H]2C(=O)N2CCOCC2)n1 727438522 AMJAFNFODJNALP-AWEZNQCLSA-N 409.512 -0.145 50 20 HBGD O=C(COC(=O)Cn1[nH]cc2c(=O)ncnc1-2)NNC(=O)c1ccc(Cl)cc1 730660104 YWCYOEYTBQBMJK-UHFFFAOYSA-N 404.770 -0.271 50 20 HBGD COc1c(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c(C)nn1C 732853722 GKJMABOMCMQDPM-ZDUSSCGKSA-N 404.379 -0.119 50 20 HBGD O=C(Cn1ncn2nccc2c1=O)NNC(=O)c1cc(Br)ccc1O 743732024 ICNMTNWUAPPVJW-UHFFFAOYSA-N 407.184 -0.180 50 20 HBGD Cc1ccc(OCC(=O)NNC(=O)CCc2nc3c(O)nc(=O)n(C)c3[nH]2)cc1 746231300 GIRQXOAVAFHQMU-UHFFFAOYSA-N 400.395 -0.170 50 20 HBGD COc1cc2cc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)[nH]c2c(OC)c1OC 758035647 MQSINFNWARXWLX-QMMMGPOBSA-N 414.440 -0.108 50 20 HBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 764204593 VZSJXQMTPBWPOF-UHFFFAOYSA-N 402.499 -0.134 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(COCC2CC2)c1 764229884 DCQZLHGVHDXXPY-LLVKDONJSA-N 412.468 -0.363 50 20 HBGD C[C@@H](C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1F 765725041 PICWNLTVFZYNDL-SNVBAGLBSA-N 402.386 -0.476 50 20 HBGD COC(=O)c1cnc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cn1 770550216 NVCBPRZSBLWANG-UHFFFAOYSA-N 407.408 -0.412 50 20 HBGD CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NNC(=O)N2CCN(C)CC2)c1 788166677 QOMPPJBAZYWJLR-UHFFFAOYSA-N 411.484 -0.454 50 20 HBGD CS(=O)(=O)N1CC(CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1 793063503 SWYPVORXSUAIBZ-UHFFFAOYSA-N 413.456 -0.865 50 20 HBGD Cc1nc(S(=O)(=O)NCC(=O)NNC(=O)Nc2ccc3c(c2)OCO3)cn1C 802106644 NWAVOBXQAIVUOJ-UHFFFAOYSA-N 410.412 -0.412 50 20 HBGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NCCCN(C)S(C)(=O)=O)nc1 916580402 WCTUFARYZVKDOI-UHFFFAOYSA-N 422.533 -0.324 50 20 HBGD CCOc1ccccc1N1C[C@@H](C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1=O 919883989 FOAWCXFXIQDYEY-QWHCGFSZSA-N 424.479 -0.044 50 20 HBGD CNC(=S)NCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](Cl)COC)C2)C1 1783877167 GQJRKWMFWGDPEV-WBMJQRKESA-N 406.936 -0.446 50 20 HBGD C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)n1cccc1 1784331199 VMPURIJFESDTDV-IERDGZPVSA-N 411.267 -0.127 50 20 HBGD Cc1ncccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1785961799 OVDYDYZQTUEULI-VDGAXYAQSA-N 423.278 -0.023 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)cco3)[C@H]2C1 1786285391 YMGTXEIZJQYAOD-QRTARXTBSA-N 420.466 -0.394 50 20 HBGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)n1cnnn1)C2 1792873036 JAYWNRUAGFYIHM-OFTGVCEQSA-N 415.292 -0.145 50 20 HBGD CS(=O)(=O)N1CCC(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H](O)CCl)CC1 1793112607 RRGNLSFFEZSCAF-XGUBFFRZSA-N 421.947 -0.104 50 20 HBGD COc1cnc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)cn1 1795324722 FTJGNLMLZFDCIM-MUJYYYPQSA-N 410.239 -0.269 50 20 HBGD CCC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795732885 OVJSGFFAWZMQOM-YALNPMBYSA-N 408.691 -0.023 50 20 HBGD CS(=O)(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1803262545 LERCVHNTFCGREK-MUJYYYPQSA-N 408.285 -0.947 50 20 HBGD O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731716 ORJBOSMHGWAPJH-HIUPBNLLSA-N 413.858 -0.245 50 20 HBGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1834819415 OGBSAVRQDKXXPD-BXUZGUMPSA-N 413.696 -0.173 50 20 HBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1836139774 VKWKTSZXBZVFDV-SWLSCSKDSA-N 416.276 -0.482 50 20 HBGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(N)=O)C2)C1 1839966490 HBJPFYVASFBMJY-LRDDRELGSA-N 420.304 -0.118 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CCC(=O)NC2)C1 1841112027 CHPHUPWINGYMMQ-JMKVTYIUSA-N 414.466 -0.150 50 20 HBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 730519405 LEBFQFONVLFKNS-HNNXBMFYSA-N 410.496 -0.100 50 20 HBGD CC(=O)N1CCN(C(=O)CCNC(=O)NNC(=O)COc2ccccc2O)CC1 730827099 HBFLPQMVGGHUSB-UHFFFAOYSA-N 407.427 -0.818 50 20 HBGD O=C(NNC(=O)c1ccc2c(c1)OCCO2)N[C@@H]1CCN(CCN2CCOCC2)C1 734684879 APQOTZYJVJAPKZ-MRXNPFEDSA-N 419.482 -0.192 50 20 HBGD CNS(=O)(=O)c1ccc(C)c(C(=O)NNC(=O)CNC(=O)c2cccnc2)c1 763819304 YDUIXFAYNAJUDE-UHFFFAOYSA-N 405.436 -0.511 50 20 HBGD C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O 763850890 BNCNELCPMZVKFB-VXGBXAGGSA-N 422.463 -0.452 50 20 HBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)CN1CCSC1=O 765732272 HDTWTZWXKZXKOJ-UHFFFAOYSA-N 405.480 -0.239 50 20 HBGD O=C(COC(=O)CNC(=O)c1cccnc1)NNC(=O)c1cccc([N+](=O)[O-])c1 767613390 JRGAPAYGZPGRMI-UHFFFAOYSA-N 401.335 -0.276 50 20 HBGD CC[C@@H](C)NC(=O)CN1CCN(CC(=O)NNC(=O)c2cccc(C#N)c2)CC1 771091148 OQQVVLCFVKBJAA-OAHLLOKOSA-N 400.483 -0.148 50 20 HBGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)cn1 771716409 DSALRWJYVPCSCY-UHFFFAOYSA-N 416.419 -0.044 50 20 HBGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)ccc1OC 778433282 IXJBJQCYXZRTQI-UHFFFAOYSA-N 416.456 -0.111 50 20 HBGD Cc1cccc(=O)n1C[C@](C)(O)C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1 795769191 UNZVRGGYARZSQX-FQEVSTJZSA-N 412.402 -0.216 50 20 HBGD CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)NNC(=O)COc1ccc(C#N)cc1 800747094 FCELPYUYRNBLHG-DZGCQCFKSA-N 409.468 -0.015 50 20 HBGD Cc1noc(C)c1S(=O)(=O)NCC(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1 809981534 OFQAUNFXSFNZAM-PHIMTYICSA-N 417.488 -0.784 50 20 HBGD Cc1ccc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)cc1S(=O)(=O)N1CCOCC1 864230860 FVHNUZJQUXVUFB-CYBMUJFWSA-N 418.302 -0.747 50 20 HBGD Cn1cc(CCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cn1 917519203 LOYLRLUAQKEBSO-UHFFFAOYSA-N 421.479 -0.165 50 20 HBGD CCn1nc(C(=O)NNC(=S)NCCNS(C)(=O)=O)c2ccccc2c1=O 1318188200 IDLKNBVRFBROBI-UHFFFAOYSA-N 412.497 -0.926 50 20 HBGD C[Si](C)(C)OCC(=O)N1CC[C@@]2(C1)CN(C(=O)C[C@@H]1NC(=O)NC1=O)CCO2 1779293939 HUXWOUWBRQURMG-YVEFUNNKSA-N 412.519 -0.734 50 20 HBGD Cc1nn(C)cc1C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783933753 WVTXKFCFBQXKMH-IBGZPJMESA-N 406.487 -0.455 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(Cl)Cl)C2)c1cc2n(n1)CCNC2=O 1794974743 DOVGJDSDJXTKIO-BZBKMWRSSA-N 416.265 -0.367 50 20 HBGD O=C(Cc1ccccn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1795880649 OAYIIARBTUSFSR-CWPLJXCYSA-N 409.251 -0.793 50 20 HBGD COC[C@@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CO[Si](C)(C)C 1797957031 ZITHPXMYSFFMMI-JYYAWHABSA-N 415.563 -0.421 50 20 HBGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C(=O)O)ncn1)C2 1800974195 PZLBGOPBHSVCSZ-FBKDDSFISA-N 412.830 -0.368 50 20 HBGD Cc1cc(/C=C/C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)no1 1801011383 JCHUYIMTIHOVQF-OSUWEIRGSA-N 419.482 -0.041 50 20 HBGD O=C(NC[C@@H]1CCN(C(=O)c2nc[nH]n2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807371216 RESMOVGZQOTSAX-DOTOQJQBSA-N 420.238 -0.487 50 20 HBGD Cn1nncc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817473955 HXFYHWMRFSZMGI-OAHLLOKOSA-N 423.242 -0.162 50 20 HBGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1)n1ccnc1 1830719568 GEVSYMWPIRHNFJ-JKIFEVAISA-N 400.863 -0.500 50 20 HBGD O=C(c1ccc(=O)oc1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1834591163 LHWOGBCFZLHAOA-CXAGYDPISA-N 400.815 -0.691 50 20 HBGD O=C(CCN1CCOCC1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1835444387 ZDENXTVSJVMNAH-DOTOQJQBSA-N 407.870 -0.301 50 20 HBGD C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)C1 1835934186 PIURQXUJNCUAQF-NRFANRHFSA-N 414.267 -0.597 50 20 HBGD O=C(c1cc2ncccn2n1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1836866245 BTECKPUUVPSFBH-KDOFPFPSSA-N 423.857 -0.601 50 20 HBGD CCn1nc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)ccc1=O 732369921 BGESGRGPYMYJIW-AWEZNQCLSA-N 402.363 -0.593 50 20 HBGD NS(=O)(=O)c1cccc(N2C[C@H](C(=O)NNC(=O)c3ccccn3)CC2=O)c1 746091712 IPRFYPXXKOCEQF-LLVKDONJSA-N 403.420 -0.457 50 20 HBGD N#Cc1cccc(C(=O)NNC(=O)CN(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c1 760887633 GRUVDUZSGUCGQV-DLBZAZTESA-N 420.491 -0.013 50 20 HBGD NC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2F)cc1 763682129 XOVHLQSLHLMJOY-UHFFFAOYSA-N 404.354 -0.145 50 20 HBGD CCOC(=O)/C=C\c1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 764001688 CAPLKEZSAZVSTL-DMTLFAOVSA-N 423.447 -0.217 50 20 HBGD COC(=O)CSCc1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)c1 764425022 MNOMMIVIWDMEFA-ZDUSSCGKSA-N 411.436 -0.406 50 20 HBGD Cn1c(=O)nc(O)c2nc(CCC(=O)NNC(=O)CSc3ccccc3O)[nH]c21 765250514 VQGFDQMUNCCRAQ-UHFFFAOYSA-N 418.435 -0.060 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CSc2ccccc2)n(C)c1=O 765728453 REPCTXKRQZAGQT-UHFFFAOYSA-N 402.436 -0.627 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CCc2nc3ccccc3[nH]2)n(C)c1=O 765730356 JSUBQEJBKWRQGG-UHFFFAOYSA-N 424.421 -0.910 50 20 HBGD Cc1ccccc1CC(=O)NNC(=O)CN1CCN(C(=O)CN2CCOCC2)CC1 766846163 LOKYDTIJAXLDJL-UHFFFAOYSA-N 417.510 -0.839 50 20 HBGD Cn1ncc2c(O)nc(NNC(=O)C3=NN(c4ccc(F)cc4)[C@H](C(N)=O)C3)nc21 770974677 OTRRXAVFRZOPRR-LBPRGKRZSA-N 413.373 -0.229 50 20 HBGD CN1CCN(C(=O)NNC(=O)[C@@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)CC1 773655979 AENWESHCMHNGDV-LSDHHAIUSA-N 409.487 -0.043 50 20 HBGD Cn1c(=O)n(C)c2cc(NC(=O)C(=O)NNC(=O)Cc3cn4ccccc4n3)ccc21 785068120 UCDMBJWKQAETMC-UHFFFAOYSA-N 421.417 -0.147 50 20 HBGD Cc1cnc(Cl)c(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 787459383 OCIIEFVMPJWZQR-UHFFFAOYSA-N 420.817 -0.357 50 20 HBGD CS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)[C@H]2COc3ccccc3O2)cn1 794579127 QAFIEXXYZMXEMQ-CYBMUJFWSA-N 413.433 -0.365 50 20 HBGD CC(C)[C@H](C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1cccnc1 797940122 NMZDIYCEJKOYLS-AWEZNQCLSA-N 413.438 -0.584 50 20 HBGD CCN(CC)CC(=O)Nc1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)c1 806980679 UOTYGLBDHJTIOI-HNNXBMFYSA-N 421.454 -0.532 50 20 HBGD O=C(NNS(=O)(=O)c1cc2c3c(c1)CC(=O)N3CCC2)[C@@H]1CCS(=O)(=O)C1 1116600771 ODOUIIKLUFNCJX-LLVKDONJSA-N 413.477 -0.734 50 20 HBGD CC(C)NC(=S)NNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 1255343767 DWVGJHYPRFEZGD-YPMHNXCESA-N 404.489 -0.147 50 20 HBGD CS(=O)(=O)c1ccccc1NNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 1319198997 LDSFENZMAPROMI-NEPJUHHUSA-N 415.493 -0.431 50 20 HBGD Cc1c(/C=C(\C#N)C(=O)N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)cc(C#N)n1C 1324230505 GYTRPFSLMZXMGJ-HVJNQHDOSA-N 403.464 -0.126 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCC4)C2)C1 1778666644 NWMLCSCJJSNITL-NRFANRHFSA-N 424.266 -0.734 50 20 HBGD CN1CCN(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)CC1 1784090253 VOTFUJOLMUXULX-QAETUUGQSA-N 416.950 -0.797 50 20 HBGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1)N1CCN(C)CC1 1784091964 ADCAWJLRAAQVNX-XAJHFOFHSA-N 416.950 -0.798 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ncccn3)[C@H]2C1 1785424538 WVLBFMMSHFCLKO-JYJNAYRXSA-N 418.498 -0.628 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCCS3(=O)=O)[C@H]2C1 1790748728 AHXRFFOPSMDTAH-YYFQZIEXSA-N 422.931 -0.203 50 20 HBGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2)C1(O)CCC1 1792480833 UXYOIRUVVILQQI-ZXFNITATSA-N 410.515 -0.500 50 20 HBGD COCCOCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798439198 OCEFAJGQKLFOFY-BTTYYORXSA-N 405.455 -0.400 50 20 HBGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@@](C)(O)CC(=O)O)C2 1802339889 SAWYAPVRZBYISA-ZYKCCNLVSA-N 412.487 -0.387 50 20 HBGD Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c(O)n1 1830730902 FRCLKWYFZOONKF-RDTXWAMCSA-N 413.858 -0.235 50 20 HBGD C[C@@H](CN)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1834658030 UBCALYUUCUMXHK-HNNXBMFYSA-N 416.331 -0.854 50 20 HBGD C[C@H](Br)C(=O)N1CCC(N2CCC(NC(=O)CNC(=N)N)CC2)CC1 1834677902 CYECHZOKRZMFOL-NSHDSACASA-N 417.352 -0.176 50 20 HBGD CC(=O)O[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1)C(C)C 1837213892 RKDOOFMSCRGVDK-RLFYNMQTSA-N 420.890 -0.370 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H](NC)C(=O)O)C2)C1 1839144337 VPKNYPDNXUXYST-DCGLDWPTSA-N 405.879 -0.477 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)CN2CCCCC2)C1 1842818728 JOFASCCUCQOEKK-UHFFFAOYSA-N 400.483 -0.012 50 20 HBGD O=C(Cn1nnc2ccccc2c1=O)NNC(=O)C1CCN(c2ncccn2)CC1 728847372 BZLHMLVBKMTJFT-UHFFFAOYSA-N 408.422 -0.355 50 20 HBGD CCOc1nc2sccn2c1C=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O 753925042 YVSYLFBDZPWEEK-UHFFFAOYSA-N 423.480 -0.171 50 20 HBGD CNC(=O)Cn1cc(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2cccc(C)c2C)cn1 763848811 JJZWYEHWNFFTGW-CYBMUJFWSA-N 416.438 -0.201 50 20 HBGD CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@H](C)C2)c1 764084202 UMOSHGZKKNLFAF-UPJWGTAASA-N 408.459 -0.349 50 20 HBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c1c(C)nn(C)c1C 772161478 XTIASOSNHOVPDZ-MWLCHTKSSA-N 403.461 -0.807 50 20 HBGD CS(=O)(=O)Nc1ccc(OCCNC(=O)NNC(=O)[C@H]2COCCO2)cc1 773594558 NUNANSWBSXABPG-CYBMUJFWSA-N 402.429 -0.817 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)cc1 801106206 SHDIVMSPGMMYBW-LLVKDONJSA-N 408.440 -0.819 50 20 HBGD COc1ccc(C(=O)NNC(=O)COC(=O)C[C@@H]2C=CS(=O)(=O)C2)cc1OC 1321414911 SZBOTYSNYLOQHM-NSHDSACASA-N 412.420 -0.044 50 20 HBGD CN1CCN(CC(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](F)Br)C3)C2)CC1 1781330345 WPXVPFYCVJSEDY-ZBFHGGJFSA-N 421.311 -0.246 50 20 HBGD C[C@H](C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)n1cccn1 1784517615 BLRPDVNLVTZDPX-FOIQADDNSA-N 412.255 -0.732 50 20 HBGD O=C(Cn1cnnn1)Nc1ccc(C2(NC(=O)c3cccc(B(O)O)c3)CCC2)cc1 1788262789 NSKLAIMJEIPZFU-UHFFFAOYSA-N 420.238 -0.199 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)c1n[nH]cc1[N+](=O)[O-] 1788809830 OTNIURGBMZRDGY-XPXLGCRWSA-N 401.807 -0.489 50 20 HBGD Cc1ocnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1789029778 OBGPKZULSVOKAJ-XIRDDKMYSA-N 413.239 -0.430 50 20 HBGD NC(=O)c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)CCl)C[C@@H]32)cc1 1791892964 PNPNHOAWFYWQBP-JONQDZQNSA-N 409.870 -0.022 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)[C@@H]1ON=C(c2ccccc2)O1 1797640519 RYNBSFHQCBBOPA-ZIUCBDDQSA-N 423.853 -0.090 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831224018 AGUMSIWRZKFTAI-HXUWFJFHSA-N 406.483 -0.771 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2cnc3[nH]ncc3c2)C1 1844016072 NAXLOVLUZUROHR-UHFFFAOYSA-N 405.223 -0.232 50 20 HBGD C[C@@H](Br)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCS(=O)(=O)CC1 1848071612 FEOONJHGDFBAKE-AGIUHOORSA-N 422.345 -0.298 50 20 HBGD C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)C(=O)NC3CC3)cc2)C[C@@H](C)O1 9889552 KRPLGPKDYLTCPD-VXGBXAGGSA-N 424.479 -0.476 50 20 HBGD C[C@@H](C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1)N1CCN(C)CC1 728214413 NSBSLNQMZIQFPA-INIZCTEOSA-N 424.571 -0.298 50 20 HBGD CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 730076295 ZJDOEBSHFHZBQT-MNOVXSKESA-N 406.530 -0.158 50 20 HBGD CN(C)c1ccc(NC(=O)NNC(=O)NCCS(=O)(=O)N2CCOCC2)cc1 743575316 FRRXXLCAMOCIDB-UHFFFAOYSA-N 414.488 -0.250 50 20 HBGD Cn1cnc(S(=O)(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 751260534 CMDKAURFUUPKNX-UHFFFAOYSA-N 413.481 -0.172 50 20 HBGD COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)NNC(=O)Cc2cc[nH]n2)C1=O 755283867 CHAVYEVQYOKHDH-IBGZPJMESA-N 414.422 -0.116 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CCc2cc(F)ccc2F)n(C)c1=O 765725354 RAXLDRVYINOKFM-UHFFFAOYSA-N 420.376 -0.508 50 20 HBGD Cc1ccc(S(N)(=O)=O)c(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 767193975 SQQSPYJXZGMVLB-UHFFFAOYSA-N 401.408 -0.307 50 20 HBGD CN(C)S(=O)(=O)CCC(=O)OCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 772274618 IXTOFAHIPSTGAF-UHFFFAOYSA-N 402.385 -0.820 50 20 HBGD CS(=O)(=O)C1(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)CCC1 796191804 AYNYSJXUCBSPTP-CYBMUJFWSA-N 412.420 -0.516 50 20 HBGD CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NNc2ccnc(N(C)C)n2)cc1 810427098 BWOFQTXWXIYRNB-UHFFFAOYSA-N 407.456 -0.077 50 20 HBGD CNS(=O)(=O)c1ccc(CCC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 1317708397 WRDLHPKPVZHSOP-LBPRGKRZSA-N 403.482 -0.891 50 20 HBGD O=C(Cn1ccncc1=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1782665349 CABQNOCNKDAPST-UKRRQHHQSA-N 417.235 -0.236 50 20 HBGD O=C(Cc1ccccc1O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1783235508 QNWBPVYQPRZLNX-JOCHJYFZSA-N 424.262 -0.242 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1cccnc1)CCO2 1783933610 BBAKASOPZVUJQJ-FQEVSTJZSA-N 403.483 -0.173 50 20 HBGD O=C(O)c1cnncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784091084 IWWXUDXVYBAMKZ-WTDIUWLJSA-N 412.830 -0.632 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3C[C@]3(F)Cl)C[C@@H]21)c1ccc(B(O)O)cc1 1786983916 VZIYPNKQOYXHED-XMFUBXPQSA-N 424.665 -0.116 50 20 HBGD O=C1CC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]3C2)=NN1 1789925338 DZYLLQFWKHVGFK-ZQCZZBHPSA-N 405.224 -0.468 50 20 HBGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1791257658 NIESYHHSVPLCMM-XQLPTFJDSA-N 418.922 -0.407 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3c(c1)CCNCC3)C2)[C@@H](O)CCl 1792983169 BMCANWFXEFIAQJ-MVJTYMMSSA-N 422.913 -0.427 50 20 HBGD O=C(Cc1cccs1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1795826188 MSCAPJPDYWDZDX-CCWDJLKJSA-N 414.292 -0.126 50 20 HBGD C[C@](O)(C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)C(F)(F)F 1796189966 OGKZUBYEDAJGNU-LOUJCGABSA-N 414.189 -0.069 50 20 HBGD COC[C@@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)Br 1800759646 YZHOEBNPPCCYBV-RORMEEMCSA-N 420.304 -0.490 50 20 HBGD C[C@H](CBr)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(CCO)CCO 1801732554 YIFFOXMVKNLTBJ-APIJFGDWSA-N 420.348 -0.058 50 20 HBGD Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)n[nH]1 1830730859 FYVBJNMMSGLGOF-YOEHRIQHSA-N 400.863 -0.683 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCN1C)CCO2 1832066192 BCOYNEXHXXWBKR-MPGHIAIKSA-N 403.907 -0.209 50 20 HBGD COCCOCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CO[Si](C)(C)C)CCO2 1837712532 XLNUDXPUEWRLGL-GOSISDBHSA-N 418.563 -0.043 50 20 HBGD O=C(c1ccc(CO)o1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837964324 CHIPJJPAFJADBW-GUYCJALGSA-N 402.831 -0.558 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn(C)n3)C2)C1 1840151238 YGOYTKQYNZNDQL-WBMJQRKESA-N 401.851 -0.861 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCn3ccnn3)CCO2)C1 1840449249 IUXYIOCMFRSQMY-WMLDXEAASA-N 415.878 -0.622 50 20 HBGD C[C@@H](C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1)n1ccccc1=O 1843014238 OKQHOFYHUNCOTG-HNNXBMFYSA-N 409.251 -0.394 50 20 HBGD Cc1csc(CC(=O)NNC(=O)CN2CCN(CC(=O)N3CCCCC3)CC2)n1 27377928 ZVAQANFJOGIQAY-UHFFFAOYSA-N 422.555 -0.228 50 20 HBGD NS(=O)(=O)c1cnn(CCC(=O)NNC(=O)c2cnn(-c3ccccc3)c2)c1 733171531 PVYHUMCWJWCAMF-UHFFFAOYSA-N 403.424 -0.433 50 20 HBGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 734242051 QCIDMCJDQXKAME-AUZPSNTRSA-N 421.454 -0.351 50 20 HBGD COc1cccc(NCC(=O)NNC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1 743295140 GDCAKLXQQOYKDA-KNCCTNLNSA-N 416.434 -0.193 50 20 HBGD C[C@@H]1CN(C(=O)Cn2cc(NC(=O)NNC(=O)Cc3cc[nH]n3)cn2)C[C@@H](C)O1 756839235 QGQRLESWHFKDGB-VXGBXAGGSA-N 404.431 -0.363 50 20 HBGD COCc1nc2n(n1)C[C@@H](NC(=O)NNC(=O)CNC(=O)c1cccs1)CC2 757796362 PZXNPIUZNHBVRI-JTQLQIEISA-N 407.456 -0.439 50 20 HBGD CCCOc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c(C)c1 764234354 XKLNQKKFNCUAEU-LLVKDONJSA-N 400.457 -0.193 50 20 HBGD Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)c1C 764430690 ZHSRRCFLEJPGCT-OAHLLOKOSA-N 412.406 -0.138 50 20 HBGD CCOC(=O)c1cc(F)c(F)cc1NC(=O)C(=O)NNC(=O)[C@@H]1COCCO1 764432780 JSLLZGIMBJHZCE-LBPRGKRZSA-N 401.322 -0.357 50 20 HBGD COc1ccc(C(=O)NNC(=O)N2CCN(C)CC2)cc1S(=O)(=O)NC(C)C 788165739 GOMWHEFUYGWUPT-UHFFFAOYSA-N 413.500 -0.016 50 20 HBGD Cn1nc(SCC(=O)NN=CC(C)(C)NC(=O)OC(C)(C)C)c(=O)n(C)c1=O 814785469 SYZJKHNKKUJJDD-UHFFFAOYSA-N 414.488 -0.024 50 20 HBGD CCOc1ccc(C(=O)NNC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)cc1OC 816827159 HANIBYOTGALJBA-GFCCVEGCSA-N 400.457 -0.230 50 20 HBGD O=C(CCBr)N1CCO[C@]2(CCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1779090734 SASNGPYZAMCGKW-GOEBONIOSA-N 420.304 -0.748 50 20 HBGD CC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(=O)n4[nH]cnc4n3)CCO2)C1 1781213583 RBMDDUAEBCHJDY-DIFFPNOSSA-N 408.846 -0.122 50 20 HBGD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1)N1CCN(C)CC1 1784091962 ADCAWJLRAAQVNX-VIQHNZTISA-N 416.950 -0.798 50 20 HBGD CC(=O)C[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786983720 RGUYFVBEOYYZEL-FDARSICLSA-N 416.283 -0.425 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3nccn3)C[C@@H]21)[C@@H](F)Br 1789923336 GNMDYDWLJWSMFI-MRBYEJRBSA-N 404.240 -0.052 50 20 HBGD C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791288036 OZHHDXHAFPBNLX-QZWWFDLISA-N 408.499 -0.623 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(Cl)nc1 1792371545 TUYQWKGKRBUTCB-YWVIFJGQSA-N 424.889 -0.294 50 20 HBGD C[C@H](Cn1cccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801009438 IFDAKGUACCAIJA-OAFZBRQQSA-N 420.514 -0.518 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCCS1(=O)=O)c1cccc(B(O)O)c1 1801515109 NORUKKBKDWFXHJ-YYIAUSFCSA-N 420.296 -0.805 50 20 HBGD Cn1nncc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1816033850 KECHOMZYQMNRHQ-HNNXBMFYSA-N 423.242 -0.162 50 20 HBGD O=C(c1cc2cccnn2n1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830730722 CGYVRXFBFMXZNL-YJBOKZPZSA-N 423.857 -0.601 50 20 HBGD CCOC(=O)O[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012171 LNZUHRLYCARMIG-ZDUSSCGKSA-N 404.228 -0.255 50 20 HBGD NS(=O)(=O)NC[C@H]1CCCN(CC(=O)NNC(=O)c2ccccc2Cl)C1 730570334 ILLUHFNMLDVENY-LLVKDONJSA-N 403.892 -0.394 50 20 HBGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NCCOCCS(C)(=O)=O)nc1 745854704 JYGXMKKMRGYZRG-UHFFFAOYSA-N 423.517 -0.544 50 20 HBGD CCN1CCN(C[C@H](C)CNC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CC1 745861415 CKIPJFWPQRTZLC-OAHLLOKOSA-N 415.502 -0.120 50 20 HBGD Cn1cccc1C(=O)NNC(=O)c1ccnc(C(=O)NNC(=O)c2cccn2C)c1 746103030 FGFLVXYCNYDPAL-UHFFFAOYSA-N 409.406 -0.092 50 20 HBGD CCOc1ccccc1[C@@H](CC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)NC(C)=O 758027260 VTRZIVRXPHIKAY-BXUZGUMPSA-N 414.484 -0.262 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 758030957 UJQIXXDABJDCHU-DTWKUNHWSA-N 420.850 -0.083 50 20 HBGD Cc1nc(O)nc(O)c1CCC(=O)N1CCN(S(=O)(=O)CBr)CC1 758523234 MXQASANQSXZGFM-UHFFFAOYSA-N 423.289 -0.045 50 20 HBGD Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNC(=O)C(=O)Nc3ccccn3)C2=O)cc1 758834411 OBNLAYAJDZTUGA-HXUWFJFHSA-N 424.417 -0.057 50 20 HBGD CN1CCN(S(=O)(=O)N2CCN(CCI)CC2)CC1 759337623 GEQLVJFXXNTXGZ-UHFFFAOYSA-N 402.302 -0.469 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(CC(F)(F)F)c1 764226407 IGMQZLXEGRUOJL-QMMMGPOBSA-N 410.374 -0.185 50 20 HBGD C[C@H]1CN(c2ccc(NC(=O)C(=O)NNC(=O)[C@@H]3COCCO3)cc2)C[C@@H](C)O1 764426698 WBBGRDDFYWIFNU-ZENOOKHLSA-N 406.439 -0.199 50 20 HBGD COc1ccccc1-c1cc(C(=O)NNC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)n[nH]1 765588930 UYVNXXJFDKDBBG-CMDGGOBGSA-N 424.417 -0.043 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CS(=O)(=O)C(C)(C)C)c1 767191506 BSPAMZSIYJHQRQ-UHFFFAOYSA-N 405.498 -0.089 50 20 HBGD COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NNC(=O)c2cnn(C)c2)C1=O 771271685 YFJJEYSWJYAICP-GOSISDBHSA-N 400.395 -0.343 50 20 HBGD COC(=O)[C@@H]1CN(C(=O)C(=O)NNc2ccnc(N(C)C)n2)c2ccccc2O1 784970659 XVZRNYJVXVQHET-ZDUSSCGKSA-N 400.395 -0.047 50 20 HBGD C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NNC(=O)COc1ccc(F)cc1 792809938 RVLKPYFXHYUGJV-GOSISDBHSA-N 422.413 -0.033 50 20 HBGD CN(CCNC(=O)NN[C@@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1 798118416 WKNXXODAUPUJIY-HNNXBMFYSA-N 422.504 -0.173 50 20 HBGD CN1CCN(C(=O)NNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OCc2ccccc2)CC1 807382935 VLVVXKGAFGXVGM-CVEARBPZSA-N 405.455 -0.253 50 20 HBGD CCNC(=O)N[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](Cl)COC)CCO2)C1 1778960550 HKHKVOASOVEMRW-IGCXYCKISA-N 404.895 -0.222 50 20 HBGD Cc1nccnc1C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1779778770 JDERBDOQUZHOCE-FQEVSTJZSA-N 410.239 -0.778 50 20 HBGD CCN(C)[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1782609764 DFMIVVGOSOBUCJ-QRWLVFNGSA-N 403.288 -0.850 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1783874122 YMXBVEYLLOKVOO-BBRMVZONSA-N 415.834 -0.125 50 20 HBGD CCNC(=S)NCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](Cl)COC)C2)C1 1783883986 YGLAPZBJGLOILS-BLLLJJGKSA-N 406.936 -0.446 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)C(Cl)Cl)C2)C1 1783947687 XTMMBIPTCGMJMX-INIZCTEOSA-N 401.055 -0.386 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Cl)C[C@@H]21)c1cc(=O)n2[nH]cnc2n1 1786976370 AXSDIVGZCLXNMH-PZEZNAACSA-N 412.809 -0.455 50 20 HBGD NC(=O)[C@@H](N)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]2C1 1789922724 OZPHBVPGDHPFLD-CCJOIDDDSA-N 423.283 -0.751 50 20 HBGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCN(C)CC1 1797238338 OSHOMSSBABUQCU-HGTKMLMNSA-N 417.348 -0.393 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncccc1F)C2 1801011924 UWTMPYDVYVZBMB-FVCICTRLSA-N 407.446 -0.203 50 20 HBGD Cc1c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cnn1C 1830724021 CDGHJQXJDFDOGH-WMLDXEAASA-N 400.863 -0.602 50 20 HBGD CN1CCC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)[C@H](O)CCl)CCO3)C2)C1 1830733407 LIPJIAZMNWOATK-HDMKZQKVSA-N 403.907 -0.616 50 20 HBGD Cc1cccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)n1 1830911928 AQMNITGUVTZNJQ-LPHOPBHVSA-N 411.886 -0.011 50 20 HBGD COC(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CO[Si](C)(C)C)CCO2 1837717619 JGINXYXEWPZVJO-QGZVFWFLSA-N 417.535 -0.350 50 20 HBGD CC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1839860304 NQVJFVUCSDWDAG-OCCSQVGLSA-N 410.240 -0.731 50 20 HBGD O=C(c1c[nH]c(=O)cn1)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840188753 ADPPPERWGSUQSE-HNNXBMFYSA-N 405.238 -0.356 50 20 HBGD C[C@@H](CS(C)(=O)=O)C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1841617551 BAJDPGCLWTVBPW-LBPRGKRZSA-N 423.495 -0.817 50 20 HBGD CCOc1ccc(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)nn1 1843014479 NWMXHUMIGZFEJU-UHFFFAOYSA-N 410.239 -0.314 50 20 HBGD N#Cc1ccc(C(=O)NNC(=O)CN2CCN(CC(=O)N3CCCCC3)CC2)cc1 744384632 MUQKXKGWFJELJB-UHFFFAOYSA-N 412.494 -0.051 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2ccc3c(c2)COC3)n(C)c1=O 757853065 ARNITJIVAHTMMV-UHFFFAOYSA-N 413.394 -0.683 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(F)cc2)cc1S(N)(=O)=O 763839656 KHUNOGZGQIBQLK-UHFFFAOYSA-N 424.410 -0.054 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccccc2OC(F)F)n(C)c1=O 766643053 KBQLHHDCCAUDMQ-UHFFFAOYSA-N 422.348 -0.504 50 20 HBGD COc1ccc(-c2cc(C(=O)NNC(=O)CN(C)S(C)(=O)=O)n[nH]2)cc1OC 768275607 CKVNIVAPGRCKPE-UHFFFAOYSA-N 411.440 -0.254 50 20 HBGD Cc1c[nH]nc1C=NNC(=O)C[C@@H](C(=O)NN=Cc1n[nH]cc1C)N1CCOCC1 814855781 SPPJYPFSOQOBRN-INIZCTEOSA-N 415.458 -0.559 50 20 HBGD Cn1c(=O)c2ccc(C(=O)NNC(=O)COc3ccccc3F)nc2n(C)c1=O 914164019 NJAQSJYWJWKDMH-UHFFFAOYSA-N 401.354 -0.389 50 20 HBGD CCn1nc(C(=O)NNC(=O)NCC(=O)N2CCOCC2)c2ccccc2c1=O 1116491214 IDMGSVOPBCMMBO-UHFFFAOYSA-N 402.411 -0.781 50 20 HBGD COc1ccccc1OCC(=O)NNC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 1339965996 YCWPQPFAQJSUPT-MRXNPFEDSA-N 406.420 -0.049 50 20 HBGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](C)Br)CCO2)C1 1778790820 YTSMUYIRZAPJOX-UEKVPHQBSA-N 422.276 -0.336 50 20 HBGD CC(=O)N/C(C)=C/C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783937888 YIDZPWOAFDTDQD-FIIODCPWSA-N 409.487 -0.771 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCOCC3)C[C@@H]21)[C@@H](O)CCl 1784089869 LAJXMDXFSMGEKY-VGWMRTNUSA-N 403.907 -0.712 50 20 HBGD C[C@@](O)(CC(=O)O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784094709 PCYHTRLXGQZBQD-SMXCXOSKSA-N 406.863 -0.818 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3c1CCC3)C2)c1ccc(B(O)O)cc1 1795736332 ZPXFBYNVVHKSDU-CCWDJLKJSA-N 424.266 -0.974 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1ccc2ncnn2c1 1796191338 AFQXROVZOGARNZ-BCDXTJNWSA-N 419.250 -0.025 50 20 HBGD C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1797708055 AWIOBECQZJARSF-CYGHRXIMSA-N 416.283 -0.857 50 20 HBGD CC[C@H](O)C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807359465 IXFPMXICTZMKJF-WDSOQIARSA-N 411.267 -0.148 50 20 HBGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1nc[nH]n1 1807866091 JFBVFRHARUZYJM-RDJZCZTQSA-N 420.238 -0.487 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2nc[nH]n2)[C@H]1c1cccnc1 1807876858 ZDDPFSXMDSQDEF-WMLDXEAASA-N 414.470 -0.108 50 20 HBGD CC(=O)NCC(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1812617099 LEFRIVPCXBQUID-PXNSSMCTSA-N 424.266 -0.783 50 20 HBGD COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)ccn1 1830730669 BWTQSHQGVRDDID-KBXCAEBGSA-N 413.858 -0.240 50 20 HBGD O=C(COc1cccnc1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1832668345 OFEXWWFIHCRWLH-MAUKXSAKSA-N 413.858 -0.484 50 20 HBGD Cn1nncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1833232336 PQKBNHLACPYAOH-QGZVFWFLSA-N 411.535 -0.263 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(F)CCC1)CCO2 1840622284 DANZIRRLWNOUIA-SFHVURJKSA-N 414.478 -0.292 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CC2(CCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)C1 1843235115 ANYSTQQZQBDNJJ-CQSZACIVSA-N 414.253 -0.134 50 20 HBGD COCCCNC(=O)[C@@H](C)N1CCN(CC(=O)NNC(=O)c2cccs2)CC1 728931342 AJFYEKJGLOWKEV-CQSZACIVSA-N 411.528 -0.332 50 20 HBGD CCS(=O)(=O)C[C@H](C)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 733660851 XPVYPKQGCHFRAU-NSHDSACASA-N 420.513 -0.296 50 20 HBGD CCS(=O)(=O)NCc1ccc(C(=O)NNC(=O)CNC(=O)c2ccco2)cc1 741685993 XBTDXHBOTPWSFB-UHFFFAOYSA-N 408.436 -0.090 50 20 HBGD O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)NNC(=O)C(=O)N1CCCC1 748240164 BEKFMFXNKBFAQN-UHFFFAOYSA-N 408.480 -0.170 50 20 HBGD CS(=O)(=O)NCCc1ccc(C(=O)NNC(=O)CNC(=O)c2ccco2)cc1 751204847 QBQQJNWCXABCDZ-UHFFFAOYSA-N 408.436 -0.438 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H](c1cccc(F)c1)N1CCOCC1 758035630 MKNLUYNOGRMVIS-BXUZGUMPSA-N 402.448 -0.716 50 20 HBGD O=C(C[C@H](C(=O)NN=C1CCC(O)CC1)N1CCOCC1)NN=C1CCC(O)CC1 761809989 NJBVXUZCGXTQAW-DAWZGUTISA-N 423.514 -0.109 50 20 HBGD COCCOc1c(Cl)cccc1NC(=O)C(=O)NNC(=O)[C@@H]1COCCO1 764432857 JYNPYBGCKLXVRL-LBPRGKRZSA-N 401.803 -0.134 50 20 HBGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cn1 771095301 XYOLVCRZTLUYFL-UHFFFAOYSA-N 402.396 -0.960 50 20 HBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cccc(S(=O)(=O)NCCOC)c1 771985726 QEUAGDAJWSNVEB-LLVKDONJSA-N 401.441 -0.286 50 20 HBGD CCc1ccccc1S(=O)(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 777640313 SYPZINYIEOZTCV-UHFFFAOYSA-N 420.451 -0.994 50 20 HBGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNC(=O)N2CCOCC2)[C@H](C)O)cc1 779505166 GNWJAAJRRHXLHG-GXTWGEPZSA-N 400.457 -0.904 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@H](NC(N)=O)C(C)(C)C)cc1 800316036 OSJSBCQDAUDJIV-AWEZNQCLSA-N 413.500 -0.154 50 20 HBGD O=C(N=c1cc[nH]cc1)NNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 802024456 FMIJGAKKXFETNL-SOUVJXGZSA-N 423.495 -0.234 50 20 HBGD CCc1cc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)ccc1F 806556343 RLHVYRNLIRLQQK-UHFFFAOYSA-N 417.401 -0.012 50 20 HBGD CN1CCN(C(=O)NNC(=O)[C@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)CC1 807380677 ZVJSPPZUIFCNGX-CQSZACIVSA-N 403.439 -0.201 50 20 HBGD Cn1cc(S(=O)(=O)NCC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)cn1 915637373 XJEJOMWCGFQAIE-UHFFFAOYSA-N 419.423 -0.949 50 20 HBGD O=C(CNC(=O)c1ccc(C(F)(F)F)cc1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 920212510 MCFLSSJBUGHKNE-LLVKDONJSA-N 422.385 -0.047 50 20 HBGD O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)NNC(=O)c1n[nH]c2c1CCCC2 1318413638 NEEOGVJIRLBXOY-MRXNPFEDSA-N 418.498 -0.237 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1778854132 VKNSMFNEOSDLBF-ZBEGNZNMSA-N 400.867 -0.597 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3ccc(CO)o3)C2)C1 1779547093 FERYQJJAIWDCIA-FQEVSTJZSA-N 414.223 -0.791 50 20 HBGD C[C@@](O)(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)C(F)(F)F 1784872759 JBFUQMPSRJDRPN-GRZGAGJTSA-N 402.797 -0.121 50 20 HBGD Cc1cncc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)c1 1786979440 JCLWHPKAYUXCLM-VDGAXYAQSA-N 423.278 -0.023 50 20 HBGD C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791287951 GTMZFCDBUGUGGK-QZWWFDLISA-N 410.515 -0.070 50 20 HBGD COC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(=O)n3[nH]cnc3n1)C2 1802277746 XRYTXXLOGAYRFP-USZNOCQGSA-N 408.846 -0.077 50 20 HBGD CCOC(=O)/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830724977 KRQSPRZGPOMQMA-CFUPXEQDSA-N 404.847 -0.838 50 20 HBGD O=C(c1cc2ncccn2n1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830730779 DSWKDXJICZFTCK-KBXCAEBGSA-N 423.857 -0.601 50 20 HBGD Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)no1 1830739154 ZXTDWBWDGDMIBH-PBHICJAKSA-N 401.847 -0.418 50 20 HBGD O=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1)c1ccco1 1832656563 ZXERWGZDXRMCPC-YVEFUNNKSA-N 400.815 -0.482 50 20 HBGD O=C(NC1CCN(C2CCN(C(=O)[C@H]3C[C@H]3F)CC2)CC1)c1ccc(B(O)O)cc1 1834798421 SWHZMWVMZSAJIK-RBUKOAKNSA-N 417.290 -0.090 50 20 HBGD O=C1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)N1 1835307810 KSFJQHWEVLPKTD-GMXABZIVSA-N 422.251 -0.588 50 20 HBGD CCCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837668979 DIXRWHROUDFUFI-HBUWYVDXSA-N 419.906 -0.653 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1 1840263849 UNWDGBVHFOWUIK-FZKQIMNGSA-N 413.858 -0.615 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843250137 OVJVRBNVVHDJDQ-UHFFFAOYSA-N 412.406 -0.378 50 20 HBGD CCOC(=O)/C=C/C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844263995 SJMWHCAFBMGFGV-SNAWJCMRSA-N 401.423 -0.379 50 20 HBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)N2CCCC2)cc1 17516792 YEMZYWXVFMXKMD-CYBMUJFWSA-N 415.493 -0.333 50 20 HBGD CS(=O)(=O)NC[C@@H]1CCCN(C(=O)NNC(=O)CNC(=O)c2ccco2)C1 725871508 MBVSXVCGPYGWPO-NSHDSACASA-N 401.445 -0.989 50 20 HBGD CCN(CC)C(=O)CN1CCCN(C(=O)NNC(=O)CNC(=O)c2ccco2)CC1 725872666 ZXYKXYRGTQPANB-UHFFFAOYSA-N 422.486 -0.374 50 20 HBGD O=C(NNC(=S)NCCc1ccc2c(c1)OCCO2)N[C@@H]1CCS(=O)(=O)C1 726749035 DPAUOGSLTXDRNR-GFCCVEGCSA-N 414.509 -0.134 50 20 HBGD CCNC(=O)COc1ccc(C=NNC(=O)[C@H](C)NS(C)(=O)=O)cc1OC 728437212 NGBMBTZZASYNEN-NSHDSACASA-N 400.457 -0.402 50 20 HBGD Cn1cc(C(=O)NNC(=O)c2cc(S(N)(=O)=O)c(Br)s2)cn1 735473273 QPLMMKOVYZQGQY-UHFFFAOYSA-N 408.259 -0.034 50 20 HBGD Cc1ccc(C)c(OCC(=O)NNC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1 742471912 LBJKTDNNRQHBKB-OSLDLMBLSA-N 401.419 -0.008 50 20 HBGD COc1cccc(NCC(=O)NNC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)c1 743295138 GDCAKLXQQOYKDA-DTTOXWODSA-N 416.434 -0.193 50 20 HBGD Cn1cc(C(=O)NNC(=O)[C@@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)cn1 746281627 FWOQOMFCNSDUBQ-HNNXBMFYSA-N 411.422 -0.269 50 20 HBGD CSCC[C@H](C(=O)NNC(=O)C(=O)NC(C)C)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 746488729 GZIRAEKTMPPQAZ-JHJVBQTASA-N 412.512 -0.045 50 20 HBGD COc1ccc([C@]2(C)NC(=O)N(CC(=O)NNc3nccn(C)c3=O)C2=O)cc1 747941706 MOAQUHHJLWGKKX-SFHVURJKSA-N 400.395 -0.301 50 20 HBGD CC(C)NS(=O)(=O)c1ccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1 755514696 BMDYTVMEYYYWDC-SNVBAGLBSA-N 421.501 -0.536 50 20 HBGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccc([S@@](=O)C(F)(F)F)cc1 764433472 NPYISDQSPPUSLJ-GFVXYOJSSA-N 409.342 -0.185 50 20 HBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 771964083 SSLSYPWQHYSCOX-CYBMUJFWSA-N 402.407 -0.453 50 20 HBGD CCC(=O)NCc1cc(S(=O)(=O)NNC(=O)NCC(=O)OC)ccc1OC 779843523 ANDJMYGLRFYLGZ-UHFFFAOYSA-N 402.429 -0.613 50 20 HBGD Cn1cc(S(=O)(=O)NCC(=O)NNC(=O)c2ccc(Br)s2)cn1 915638476 WBXZDPCGKDSDOO-UHFFFAOYSA-N 422.286 -0.016 50 20 HBGD COCCN(C)CCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 916582083 FNGFTQURRVUTEP-UHFFFAOYSA-N 415.516 -0.151 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cncnc3)C[C@@H]21)c1cccc(B(O)O)c1 1786984457 IRQGLBTZLRJKID-WBAXXEDZSA-N 410.239 -0.937 50 20 HBGD Cc1nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)co1 1786984481 LKLADFYTCFTDHQ-ZVZYQTTQSA-N 413.239 -0.430 50 20 HBGD O=C(CN(CCO)CCO)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(Cl)Cl)C[C@@H]21 1790912062 ZSMILCCEOIHJEU-AVGNSLFASA-N 412.314 -0.944 50 20 HBGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21)n1cnnn1 1791684402 RJCYJIRAJAUPQW-VOAKCMCISA-N 415.292 -0.001 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H]1NC(=O)NC1=O 1793942560 ADBJAUDNLOAMPI-WFZSHTGRSA-N 421.281 -0.590 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1cccc(=O)n1O 1796188223 CNJMHPMSUSJTPS-MUJYYYPQSA-N 411.223 -0.669 50 20 HBGD COCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797748595 LFXSRMJEUWYKBI-FVCICTRLSA-N 405.455 -0.685 50 20 HBGD Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)nn1C 1830725938 SQVRLVWPNWKSFY-YOEHRIQHSA-N 400.863 -0.602 50 20 HBGD O=C(c1ccc2ncnn2c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731474 LUAJDBWSCSGPES-KDOFPFPSSA-N 423.857 -0.601 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1ccnn1)CCO2 1836209926 CZHFNTIETPASSW-KRWDZBQOSA-N 411.535 -0.414 50 20 HBGD CCOCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCC(=O)NN(C)C)CCO2 1840185585 SMUHPUZJTWDCQG-IBGZPJMESA-N 414.503 -0.758 50 20 HBGD CC(=O)Nc1cccc(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)n1 1843013608 OSFXLMAJXFPQBL-UHFFFAOYSA-N 422.250 -0.149 50 20 HBGD COCCCNC(=O)NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 65211904 SMDVGCFYQMDNNR-UHFFFAOYSA-N 418.447 -0.173 50 20 HBGD COCCCNC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 65211973 RCSNUGPMHHICPG-UHFFFAOYSA-N 400.457 -0.312 50 20 HBGD CCN(CCCNC(=O)NNC(=O)CNC(=O)c1cccs1)S(C)(=O)=O 725872906 HZOKYNMCRFISJS-UHFFFAOYSA-N 405.502 -0.520 50 20 HBGD O=C(CNC(=O)c1cccs1)NNC(=O)NNC(=O)c1ccc2c(c1)OCCO2 725873559 NVYMGYZGSUKPNR-UHFFFAOYSA-N 419.419 -0.076 50 20 HBGD COc1ccc(C(=O)NNC(=O)c2c[nH]nc2C)cc1S(=O)(=O)N1CCOCC1 731852617 FSVWDYNFJGMMQJ-UHFFFAOYSA-N 423.451 -0.178 50 20 HBGD COCCN1C(=O)c2ccc(C(=O)NNC(=O)Cc3ccncc3)cc2S1(=O)=O 747326309 NHEHMFDJAOSVKQ-UHFFFAOYSA-N 418.431 -0.124 50 20 HBGD O=C(NNS(=O)(=O)c1cnn(Cc2ccccc2)c1)N[C@@H]1CCS(=O)(=O)C1 751269777 FCQJTKMSYGJCBN-CYBMUJFWSA-N 413.481 -0.389 50 20 HBGD Cc1ccc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1S(=O)(=O)N(C)C 755394017 PKVADAKPMKWWKS-NSHDSACASA-N 418.497 -0.167 50 20 HBGD COC(=O)CCCc1nnc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)s1 756682490 DQHNJHWHODIXMH-SSDOTTSWSA-N 408.462 -0.876 50 20 HBGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C(=O)Nc1ccc(-n2nccn2)nc1 763577763 LDPATVQVFSGNAJ-AWEZNQCLSA-N 409.362 -0.412 50 20 HBGD CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)CN(C)C)cc1OC 764211114 JRRZCHFEHDDVPZ-UHFFFAOYSA-N 401.445 -0.896 50 20 HBGD Cn1ncc2c(O)nc(NNC(=O)CCN3CCN(C(=O)[C@@H]4CCCO4)CC3)nc21 770974292 KWTBHRHDPGAMLK-ZDUSSCGKSA-N 418.458 -0.775 50 20 HBGD CN1CCN(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 788165680 FYKPOMJGKNZWPE-UHFFFAOYSA-N 411.484 -0.691 50 20 HBGD O=C(O)c1cc(S(=O)(=O)NNC(=O)[C@H]2CCc3nncn3C2)cc(F)c1F 793445888 BTGRTMAPWNFNTG-ZETCQYMHSA-N 401.351 -0.173 50 20 HBGD Cc1csc(CC(=O)NNC(=O)CN2CCC[C@@H](CN(C)S(C)(=O)=O)C2)n1 796123147 USMYVQKAVPOORF-ZDUSSCGKSA-N 417.557 -0.255 50 20 HBGD O=C(CN1c2cccc3cccc(c23)S1(=O)=O)NN=C1C(=O)NC(=O)NC1=O 814216455 MVWQAOVWOCJVIK-UHFFFAOYSA-N 401.360 -0.813 50 20 HBGD O=C(NNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)c1cccc([N+](=O)[O-])c1 914829678 LKXKXSGUIDRMOL-DGCLKSJQSA-N 410.408 -0.609 50 20 HBGD CC(C)OCC(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779029530 UDCIGHHZBIRYDQ-LJQANCHMSA-N 405.455 -0.446 50 20 HBGD CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(Cl)Cl)C[C@@H]21 1788476067 SVWSQAUOLRQHPQ-AVWBDOJWSA-N 412.270 -0.166 50 20 HBGD C=CC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](Cl)COC)[C@H]2C1 1791255691 YLDPWXDGJCTTMI-QTVXIADOSA-N 401.891 -0.089 50 20 HBGD C[C@H](CS(C)(=O)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1793595697 ADVBQIGYDZBSAO-VDNDLQMASA-N 422.312 -0.701 50 20 HBGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cnnn1 1795854333 VFOPEQRDALKDIF-KQXIARHKSA-N 401.265 -0.706 50 20 HBGD Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c(C)n1 1798377158 SYSJOVBEPXPSLO-XEMDLRDOSA-N 423.278 -0.105 50 20 HBGD C[C@@H]1C[C@]1(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939585 UGWXQCHLLDPVAI-NQERJWCQSA-N 416.283 -0.518 50 20 HBGD CN(C)N(C(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)[C@@H]1CCS(=O)(=O)C1 728180758 XNZUWVCIWRVMDK-AUUYWEPGSA-N 420.491 -0.128 50 20 HBGD CCC(CC)NC(=O)C(=O)NNC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O 741217890 ZQACHJWGPDOJAP-UHFFFAOYSA-N 413.475 -0.482 50 20 HBGD O=C(NN=Cc1c(N2CCOCC2)nc2ccccn12)N[C@@H]1CCS(=O)(=O)C1 741809724 IMPHHBCNKMICCE-CYBMUJFWSA-N 406.468 -0.009 50 20 HBGD NS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 748557113 CLPNWRDEDIQOMY-AWEZNQCLSA-N 420.403 -0.740 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cccc(C(=O)N2CCOCC2)c1 755934524 UBKNMLVOPQDGPM-NSHDSACASA-N 413.456 -0.751 50 20 HBGD CC1(Cn2cc(C(=O)N3CCN(S(=O)(=O)CBr)CC3)nn2)COC1 760025525 VAHGAUXCHKWETR-UHFFFAOYSA-N 422.305 -0.245 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccccc1CC(F)(F)F 764228609 YYTTWGIDORZOMS-QMMMGPOBSA-N 410.374 -0.185 50 20 HBGD NC(=O)N[C@@H](CO)C(=O)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 765469562 PGNATRAHEBNKDP-AWEZNQCLSA-N 409.406 -0.276 50 20 HBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)NCCO)s1 772158131 IBYLVMXHKUCPGR-JTQLQIEISA-N 421.497 -0.243 50 20 HBGD Cc1nc(S(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)cn1C 782473132 UQBVXJZFEQKBQQ-UHFFFAOYSA-N 401.308 -0.283 50 20 HBGD Cn1c(=O)c2cc(NC(=O)C(=O)NNc3ccc(F)cc3F)cnc2n(C)c1=O 783340169 OZEWPPOGQQIWOG-UHFFFAOYSA-N 404.333 -0.008 50 20 HBGD Cn1cc(-c2cc(F)ccc2NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)cn1 797070120 IEMGTOYGOHDIJG-UHFFFAOYSA-N 402.386 -0.066 50 20 HBGD CN(C)S(=O)(=O)n1ccnc1C=NNC(=O)Cn1nnc(-c2ccccc2)n1 814702890 AKASOWDRYYKKEA-UHFFFAOYSA-N 403.428 -0.659 50 20 HBGD O=C(CCC(=O)N1CCC(c2ccccc2)=N1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919885505 PNJUYYSIZNAIGI-CQSZACIVSA-N 421.479 -0.079 50 20 HBGD CC(=O)C[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1783826014 WFBLBKAUKRYGDV-VBKZILBWSA-N 402.256 -0.575 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)c1cnn2ncccc12 1787375429 TYAQKXMRAZCQOR-MZGVZZPPSA-N 407.858 -0.078 50 20 HBGD C[C@]1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)CCCN1 1789824768 URHUXUKBUADHMZ-QUJKESNLSA-N 415.299 -0.898 50 20 HBGD Cc1oncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791288816 VYMQVBIWHBLXCP-BPUTZDHNSA-N 407.471 -0.051 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccnn3)C[C@@H]21 1791291219 QBVXPGLZCMUTPL-DZKIICNBSA-N 404.471 -0.557 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(F)(F)F)C2)c1cccc(B(O)O)c1 1795737510 PLSYBCBEHVXBST-YWVIFJGQSA-N 414.189 -0.088 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)nc3cccnn13)C2)[C@@H](F)Cl 1796366259 OUZYZQJTLPDCPD-ANGCBRKESA-N 409.805 -0.173 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cc2n(n1)CCC2 1797513905 SHNXVPRTFUCQFS-CCWDJLKJSA-N 424.266 -0.974 50 20 HBGD CC[C@H](O)C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1802998651 BYSHJJPEKIHQPR-NZSAHSFTSA-N 411.267 -0.148 50 20 HBGD C[C@@H](NC=O)C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815343725 LKRBCJPWIOXCGJ-ZWNOBZJWSA-N 416.268 -0.817 50 20 HBGD CC(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)CBr)CCO2 1830544219 QTDFZESQKMXMRK-MLGOLLRUSA-N 420.304 -0.390 50 20 HBGD O=C(c1cnn2c1CCC2)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830736169 RUYNKSBDWDHPGF-CRAIPNDOSA-N 412.874 -0.501 50 20 HBGD O=C(CN1C(=O)CNC1=O)NC1CCN(C2CCN(C(=O)[C@@H](F)Cl)CC2)CC1 1833677053 ZIIJBCSVWUGQEK-OAHLLOKOSA-N 417.869 -0.356 50 20 HBGD O=C1CC[C@H](C(=O)NC2CCN(C3CCN(C(=O)[C@H](O)CCl)CC3)CC2)N1 1834586163 CQOPDKUIURGGTI-HUUCEWRRSA-N 400.907 -0.564 50 20 HBGD O=C1CCCCN1CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840103811 SYRQSRRCZAPARB-KSSFIOAISA-N 417.890 -0.945 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CSCC(=O)O)CCO2)C1 1840194422 NHACQSNMSIEOIZ-LRDDRELGSA-N 424.903 -0.486 50 20 HBGD CCN1CCC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)CC1 1840926185 PTROGRNACVUYHF-LPHOPBHVSA-N 417.934 -0.226 50 20 HBGD COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)NNC(=O)C(=O)NC(C)C)c1 731059345 PPPURFLKNBFOEC-UHFFFAOYSA-N 401.397 -0.906 50 20 HBGD CN1CCN(CC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)CC1 732285586 CHQUUKQSESIRFQ-UHFFFAOYSA-N 410.544 -0.687 50 20 HBGD O=C(NNC(=O)c1ccc2c(c1)OCCO2)N[C@H]1CCN(CCN2CCOCC2)C1 734684877 APQOTZYJVJAPKZ-INIZCTEOSA-N 419.482 -0.192 50 20 HBGD C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NNC(=O)C3CCCC3)CC2)C[C@H](C)O1 753354843 NHUTULGDUHKJIQ-KBPBESRZSA-N 417.532 -0.111 50 20 HBGD CNC(=O)CN1CCC(NC(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)CC1 763461840 FTJKNNSHWASPGM-UHFFFAOYSA-N 414.507 -0.168 50 20 HBGD COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)NNC(=O)C(C)C)cc2)CC1 763816769 OUPDZDXCLYCZOW-UHFFFAOYSA-N 405.455 -0.277 50 20 HBGD COc1ccc(I)c(NC(=O)C(=O)NNC(=O)CN(C)C)c1 764203749 CJBORMHVYQYGHL-UHFFFAOYSA-N 420.207 -0.053 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(-c2ccccc2)ns1 764234612 YWMYIVBWAGKQEC-VIFPVBQESA-N 411.465 -0.166 50 20 HBGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 780973782 GWNJDSDJDKBALX-UHFFFAOYSA-N 413.456 -0.454 50 20 HBGD O=C(NNC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N[C@H]1CCS(=O)(=O)C1 781949884 NXTWWNZXFPXGLC-ZANVPECISA-N 411.396 -0.395 50 20 HBGD COCCn1ccc(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)n1 784782262 TVNAJOJRHRZQJI-UHFFFAOYSA-N 423.499 -0.383 50 20 HBGD CN(C)c1ccc(NC(=O)NNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1 802120702 XVHRKNHTXZUZAF-DOMZBBRYSA-N 423.495 -0.059 50 20 HBGD O=C(Cn1c(S)nnc1-c1cccs1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919888955 IPCKLRZZVXDLAA-QMMMGPOBSA-N 416.510 -0.187 50 20 HBGD CS(=O)(=O)c1ccc(OCCCC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 1115904688 GRDYALCBJBTVDM-LBPRGKRZSA-N 418.493 -0.169 50 20 HBGD CCS(=O)(=O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)Br)C2 1793322180 QRIYJMCDQBZTMV-KQXIARHKSA-N 411.318 -0.206 50 20 HBGD Cc1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)s1 1795732576 XIQLVZQBAOCTCA-MIFYACCESA-N 415.280 -0.352 50 20 HBGD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1)c1ccccn1 1795737066 ZRPSJJCGLBMSMC-DFYYWFRZSA-N 423.278 -0.232 50 20 HBGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Cl)[C@@H]1SC(=N)NC1=O 1796363706 YWSOISFXALQKBP-OJHQEIPXSA-N 406.867 -0.087 50 20 HBGD CC(=O)N1CCN(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H](O)CCl)C3)CC1 1797929790 HECOPIMWXTUPFB-FZKCQIBNSA-N 400.907 -0.612 50 20 HBGD O=C1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](F)Br)CN1 1799343399 URTHUBLYGRKAKS-VKISENBKSA-N 406.252 -0.207 50 20 HBGD CC(C)(C)OC(=O)N[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Cl)C2 1799681071 MYIYONWRZIVCIJ-VGDATSSVSA-N 409.842 -0.047 50 20 HBGD O=C(NC[C@H]1CCN(C(=O)[C@H]2C[C@@H](O)C2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807365173 WVGXUTCTRAKBCA-IZBJGVDFSA-N 423.278 -0.148 50 20 HBGD O=C(NC[C@H]1CCN(C(=O)c2nc[nH]n2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807371219 RESMOVGZQOTSAX-WBVHZDCISA-N 420.238 -0.487 50 20 HBGD Cc1nnsc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830727840 HSAGRMPVZNXZQU-NHYWBVRUSA-N 404.876 -0.484 50 20 HBGD O=C(c1ccc(CO)o1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830732499 ZFJGYXMQFQSAFT-DYVFJYSZSA-N 402.831 -0.558 50 20 HBGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1831654155 ISJVUGAOVZRAJH-YRBFXIGRSA-N 403.907 -0.427 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1836211332 ZUOJTPRASGVBRO-JKSUJKDBSA-N 420.297 -0.029 50 20 HBGD CC(=O)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837622621 JEQKIBKOZUNOPK-UHFFFAOYSA-N 402.256 -0.432 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccnc3C)CCO2)C1 1839716986 MLALTJNQTYJXFS-CRAIPNDOSA-N 414.890 -0.098 50 20 HBGD CN1N=C(C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)CCC1=O 1844263493 KMGPRBJFJLPKIJ-UHFFFAOYSA-N 413.438 -0.890 50 20 HBGD CCC(=O)N[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnccc1C(=O)NN 1847739019 WHHRWXASKPEZFU-UGFHNGPFSA-N 402.455 -0.585 50 20 HBGD C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NNC(=O)CNC(=O)c1ccco1 725740017 BFELRDKQDGDCTD-SECBINFHSA-N 400.438 -0.415 50 20 HBGD COc1cccc(C(=O)NNC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)c1O 725890519 VPHIACZMDYHMGH-UHFFFAOYSA-N 411.440 -0.428 50 20 HBGD C[C@H](C(=O)NNC(=O)CNC(=O)c1cccs1)N1C(=O)NC2(CCCC2)C1=O 726508003 FPDIQQUUCNVAPO-SNVBAGLBSA-N 407.452 -0.122 50 20 HBGD Cn1cccc1C(=O)NNC(=O)Cn1cnc2c(c(Br)nn2C)c1=O 727098065 GJXQZCBDCCDYLQ-UHFFFAOYSA-N 408.216 -0.308 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cnn(-c3ccccc3)c2)n(C)c1=O 733108667 VUCRZNAFEQSFMK-UHFFFAOYSA-N 422.405 -0.919 50 20 HBGD Cn1nc(SCC(=O)NN=C2CCC(O)(C(F)(F)F)CC2)c(=O)n(C)c1=O 734746107 GLSYACFMVFJRCN-UHFFFAOYSA-N 409.390 -0.089 50 20 HBGD NC(=O)CS(=O)(=O)c1ccc(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 742469855 JNHJQIGKDLSMHX-HNNXBMFYSA-N 419.415 -0.453 50 20 HBGD N#Cc1ccccc1OCC(=O)NNC(=O)NCCCN1CCC[C@H](C(N)=O)C1 745831712 XUJHWTDHDWJZTA-HNNXBMFYSA-N 402.455 -0.145 50 20 HBGD Cn1ccnc(NNC(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)c1=O 747943255 SIFFLCWMYQEZJT-CYBMUJFWSA-N 407.452 -0.006 50 20 HBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)[C@H]2CCn3ccnc3C2)CC1 749239415 DYSIHNVXOGMGHH-AWEZNQCLSA-N 419.511 -0.080 50 20 HBGD O=C(CNC(=O)c1cccs1)NNS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 751279100 GWEAUYKTFHRQJK-UHFFFAOYSA-N 410.433 -0.182 50 20 HBGD Cn1c(NNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)nc2ccccc2c1=O 752902238 ISUMCYCMIHPENM-UHFFFAOYSA-N 400.420 -0.126 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2ccc(C(=O)O)cc2Cl)n(C)c1=O 783856186 SIZRVXVRYBNGIE-UHFFFAOYSA-N 418.797 -0.064 50 20 HBGD COc1ccc(S(N)(=O)=O)cc1C(=O)NNC(=O)CCN1C[C@H](C)O[C@@H](C)C1 912918844 FLZUMKVEZOXFON-RYUDHWBXSA-N 414.484 -0.397 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)NCCC(=O)N2CCN(C)CC2)cc1C 916434541 JEZKDHMRSDHESN-UHFFFAOYSA-N 404.471 -0.264 50 20 HBGD CCN(CCCNC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1)S(C)(=O)=O 918119126 LWFRHKICNCRJRN-UHFFFAOYSA-N 420.513 -0.294 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)c1 1320202493 JHXZCQDNMSFHPF-LBPRGKRZSA-N 423.495 -0.108 50 20 HBGD C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782210263 LHMYNMHWGGWBEK-CBGDNZLLSA-N 422.526 -0.088 50 20 HBGD N#Cc1c[nH]c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)c1 1786984717 ALXVZFDVXYTGDL-IEZWGBDMSA-N 422.250 -0.527 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)[C@@H]1CCCS1(=O)=O 1790744604 IOJNNVHDFKUZNH-PEDHHIEDSA-N 408.904 -0.857 50 20 HBGD COc1ccc([C@H](O)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)cc1 1792718155 XSOIIYKBNXCWSH-KUHBDSFDSA-N 412.870 -0.082 50 20 HBGD CN1N=C(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)CCC1=O 1796189830 GGKDEXXRBXLELK-MUJYYYPQSA-N 412.255 -0.774 50 20 HBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@@H]1C1CC1)C2 1797748602 LQIJEXVBWVIXRE-HYUSYPKPSA-N 413.478 -0.066 50 20 HBGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3C(=O)CNC3=O)CCO2)C1 1832332918 YJPUTWYKTBPXDC-YVEFUNNKSA-N 416.862 -0.988 50 20 HBGD O=C1C[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)CN1 1834824788 MMSAIIQRIRCHAG-BLLLJJGKSA-N 418.288 -0.636 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cccn3)CCO2)C1 1836174048 LKNSPEDOYZFCJX-RHSMWYFYSA-N 400.863 -0.407 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccnn3)C2)C1 1839151852 GAOFGUMWXZCGHF-CVEARBPZSA-N 420.297 -0.029 50 20 HBGD NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839202575 KCDSHUNOHCRIPD-OCCSQVGLSA-N 410.240 -0.601 50 20 HBGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)N(C)C)C2)C1 1839963232 FBMYUQHPJIQUMM-WBMJQRKESA-N 420.304 -0.296 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1840035676 ZWADFVUSBXYIAV-MKBNYLNASA-N 418.288 -0.638 50 20 HBGD O=C(Cn1cc(Cl)cn1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013354 KPQDDJLYISVMHC-UHFFFAOYSA-N 402.647 -0.267 50 20 HBGD CC(C)CN1C(=O)/C(=C/NNC(=O)CNC(=O)c2cccs2)C(=O)NC1=S 725905231 ZRCXPHDNXDSQHE-UXBLZVDNSA-N 409.493 -0.118 50 20 HBGD NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)NNC(=S)NCC1CCC1 727865873 DCYDBPIDCQDUEL-UHFFFAOYSA-N 413.481 -0.463 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2cnc([C@H]3CCCO3)s2)n(C)c1=O 755789883 LKNFRGKLSJKNAY-LLVKDONJSA-N 417.451 -0.108 50 20 HBGD CNS(=O)(=O)c1cc(C(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)co1 756388892 LDCGKNKMEBPSOO-UHFFFAOYSA-N 406.376 -0.323 50 20 HBGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)COc2ccc(OC)cc2)cn1C 763662139 URZJYNDVFFDGJL-UHFFFAOYSA-N 404.379 -0.015 50 20 HBGD COC(=O)c1ccccc1NNC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 780738772 ZCUZJGNXYAHLGQ-UHFFFAOYSA-N 400.395 -0.246 50 20 HBGD COC(=O)[C@@H](CS(=O)(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 795291563 XTJIPJWLBUEJHS-OLZOCXBDSA-N 404.466 -0.672 50 20 HBGD Cc1nc(O)c(Br)cc1C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 795527737 RFAOLXZSOLQSSG-ZETCQYMHSA-N 407.246 -0.011 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)cc1 801106208 SHDIVMSPGMMYBW-NSHDSACASA-N 408.440 -0.819 50 20 HBGD Cn1nnc2c1C[C@H](C(=O)N1CCN(S(=O)(=O)CBr)CC1)CC2 810909409 FCSCQLCJBRRPEN-SNVBAGLBSA-N 406.306 -0.254 50 20 HBGD NS(=O)(=O)N1CCC[C@H](C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)C1 815266075 NIAGYPKHLBCLFC-NSHDSACASA-N 418.859 -0.440 50 20 HBGD Cn1cc(C(=O)NNC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cn1 1328685726 BYMUDRUUJBRILU-UHFFFAOYSA-N 422.467 -0.415 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)Cn3ccnc3)CCO2)C1 1779031255 PLQVECYXKNECBU-IBGZPJMESA-N 413.438 -0.975 50 20 HBGD CCS(=O)(=O)CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781326650 ZRNKGIWHFQBQLU-DGCLKSJQSA-N 415.281 -0.059 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccn(C)n1)C2 1782210875 VGECINHPIBXDHT-OXQOHEQNSA-N 420.514 -0.079 50 20 HBGD CNc1nsnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1783519283 YXDRDDKHMVOTKT-MMWGEVLESA-N 403.892 -0.227 50 20 HBGD CCC(=O)N[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1793452071 JWVMPVSSZIJPIB-SJWGOKEGSA-N 401.272 -0.467 50 20 HBGD CC(C)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)n2[nH]nnc2n1 1796107638 ZDCPNUALPXRFIV-DDFAGTSDSA-N 423.861 -0.719 50 20 HBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCOC1)C2 1797754125 MHNAQHUVPSRTHN-ZJOBFFGXSA-N 417.466 -0.685 50 20 HBGD C[Si](C)(C)OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccncc1=O)C2 1797957270 JMASUPQNDUCITF-ZSBFGKGUSA-N 408.531 -0.316 50 20 HBGD CC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCS(=O)(=O)CC1)C2 1799263257 IDXZXTLOQKISIE-FQLMCAECSA-N 421.947 -0.676 50 20 HBGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc(C)c(C)[nH]c1=O)C2 1800974152 NEMGUJBGRWXNJC-XJFOESAGSA-N 412.874 -0.156 50 20 HBGD C[C@@H](Br)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(CCO)CCO 1801735490 NPMGDPQAHKNHGJ-YIYPIFLZSA-N 406.321 -0.305 50 20 HBGD O=C(CN1CCOCC1)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](O)CCl)CC2 1814558328 QBQDOXMTZXXVBF-JQWIXIFHSA-N 402.904 -0.013 50 20 HBGD O=C(c1cnccc1F)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830723122 LKRVEWLTDNPZQM-PBHICJAKSA-N 401.822 -0.110 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731836 QMVYBTIHTDIOQV-CZUORRHYSA-N 408.955 -0.106 50 20 HBGD O=C(C#CC1CC1)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1833426290 DFEKZJMVJRMALX-UHFFFAOYSA-N 423.322 -0.035 50 20 HBGD C[C@H](O)C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835738362 ZDVBZJVLRTXSIO-ZDUSSCGKSA-N 418.498 -0.749 50 20 HBGD O=C(CCN1CCCS1(=O)=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1 728210189 XPOYGDPTUMXNKD-UHFFFAOYSA-N 402.498 -0.004 50 20 HBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCCN1CCOC[C@H]1C 729613533 DKNNSZVLBNZRKT-GFCCVEGCSA-N 412.516 -0.047 50 20 HBGD CC(=O)Nc1cncc(C(=O)NNC(=O)CN(C)S(=O)(=O)c2cccnc2)c1 746300867 ZWSHFKBZFIHDAF-UHFFFAOYSA-N 406.424 -0.483 50 20 HBGD Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cnc2c1c(=O)n(C)c(=O)n2C 747683233 PATRNRAAOMPSGQ-UHFFFAOYSA-N 412.362 -0.076 50 20 HBGD C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758025497 MPCKMLOJBRNNGH-VHSXEESVSA-N 409.461 -0.679 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cnn(CC(=O)NC2CCCCC2)c1 758029030 IKBFPVPJJGMIBL-LLVKDONJSA-N 414.488 -0.969 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cnccc1-c1ccccc1 760276203 ACPQDPAXQSUNHY-LLVKDONJSA-N 405.436 -0.228 50 20 HBGD COc1cc(N2CCN(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)CC2)ncn1 763642698 VYZVIDUMQHILPH-UHFFFAOYSA-N 424.425 -0.363 50 20 HBGD NC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)COc2ccccc2F)c1 763682859 PRJZCYXAWIZNTC-UHFFFAOYSA-N 404.354 -0.145 50 20 HBGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)ccc1-n1nnnc1C(C)C 764425281 OJCHFCYRIJMCTI-CQSZACIVSA-N 417.426 -0.405 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccnc(CNC(=O)OC(C)(C)C)c1 768706677 NJGFTENCLOTBAG-JTQLQIEISA-N 415.472 -0.195 50 20 HBGD CCOC(=O)c1cc(F)cc(S(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 778557431 REULLKSCVOKOEN-SECBINFHSA-N 408.429 -0.253 50 20 HBGD CN1CCN(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CC1=O 780154959 LCVWUHXWUNSNMR-UHFFFAOYSA-N 423.495 -0.994 50 20 HBGD C[C@@H](CNC(=O)C(=O)NNc1nc(-c2ccc(Cl)cc2)no1)S(N)(=O)=O 784794759 GHESHIKELKPTRR-ZETCQYMHSA-N 402.820 -0.374 50 20 HBGD CCOC(=O)c1ccc(C)c(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 788745451 ILLXCJIDWMBXQQ-GFCCVEGCSA-N 419.481 -0.149 50 20 HBGD Cc1c(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)nnn1-c1ccn(C)n1 1324941481 ZHBLXRONTVFPBO-UHFFFAOYSA-N 410.442 -0.223 50 20 HBGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)CCBr)CCO2)C1 1778781567 GBPVNVRUZUCFGV-DOMZBBRYSA-N 422.276 -0.334 50 20 HBGD C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1778970332 YTCHNVXBACXIPI-DYESRHJHSA-N 416.283 -0.617 50 20 HBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2)[C@H]1CCCS1(=O)=O 1781650545 WJYWQGTXFNKHDG-VMUDFCTBSA-N 422.931 -0.323 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cscn1 1786088152 NAUBMKCESKLBPH-QRTARXTBSA-N 415.280 -0.270 50 20 HBGD CNC(=S)NCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1788612496 OSKPJHXSFDCMJO-RVMXOQNASA-N 406.936 -0.950 50 20 HBGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NN(C)C(=O)CC1 1793787576 WHGKSCXAZMZNDW-NJBDSQKTSA-N 415.288 -0.032 50 20 HBGD C[C@@](O)(C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2)C(F)(F)F 1793930628 STTYOYAKVCGEKA-UMPJEAMMSA-N 414.189 -0.069 50 20 HBGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@@H](N)C(N)=O 1795631662 MSPRBAIKSRJZRA-YGEZULPYSA-N 419.320 -0.800 50 20 HBGD COc1ccccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795739697 BZVGNEKDLGLSEM-CWPLJXCYSA-N 424.262 -0.108 50 20 HBGD Cc1cccnc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797748684 SVZGADYIFCXPNB-ZSBFGKGUSA-N 424.461 -0.094 50 20 HBGD C[Si](C)(C)OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)CCC(N)=O)C2 1797954898 QOHGEMRWMABZJQ-ZWUHOBOKSA-N 400.552 -0.980 50 20 HBGD Cn1ncnc1C(=O)N1CCCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1 1807951972 JJQSFOCVSDKCDE-UHFFFAOYSA-N 411.271 -0.347 50 20 HBGD O=C(C[C@@H]1NC(=O)NC1=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](O)CCl)[nH]n1 1815765494 LNPFKDSIFNJCPP-AXFHLTTASA-N 412.834 -0.400 50 20 HBGD O=C(Cn1ccncc1=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](O)CCl)CC2 1824529275 NSEAJVQQOUEMME-KOLCDFICSA-N 411.871 -0.088 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)Cc2ccc(O)cn2)C1 1846661848 VORCCFBMVPNMKU-UHFFFAOYSA-N 410.434 -0.155 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=S)NCc2ccccc2)n(C)c1=O 1850090 QUUCSGNUPZVXGI-UHFFFAOYSA-N 401.452 -0.871 50 20 HBGD CN(C)N(C(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O)[C@@H]1CCS(=O)(=O)C1 728179672 SDBKBWCZOCYYQA-RDTXWAMCSA-N 408.480 -0.054 50 20 HBGD CN(C)CC(=O)NNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 733359226 IMRBKAQNVNSLAF-LBPRGKRZSA-N 410.452 -0.667 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)N1CCN(C(=O)N2CCCCC2)CC1 736661505 CPMKDAXBQWENTC-UHFFFAOYSA-N 406.443 -0.026 50 20 HBGD CCN(CC)C(=O)CN1CCN(CC(=O)NNC(=O)c2ccc(C#N)cc2)CC1 744385384 ZIAPCNPBLDQNSP-UHFFFAOYSA-N 400.483 -0.195 50 20 HBGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)c2ccc(F)c(S(N)(=O)=O)c2)c1 744733525 JWKSHRCPWDXBBO-UHFFFAOYSA-N 420.378 -0.037 50 20 HBGD C[C@H](C(=O)NNc1nc2ccccc2c(=O)n1C)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 746257775 GYDZDBIGIGNTNS-WMESBKTJSA-N 411.418 -0.073 50 20 HBGD CN(CC(=O)NNC(=O)CNC(=O)c1cccs1)S(=O)(=O)c1cccnc1 751207089 ZHYAVBFDVAJPRM-UHFFFAOYSA-N 411.465 -0.659 50 20 HBGD CN(C)C(=O)Cn1cc(NC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cn1 756798388 ZMMVIRFEUIALGN-UHFFFAOYSA-N 412.410 -0.315 50 20 HBGD O=C(CO)NNC(=O)C(=O)Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1 764420309 DGPUWPGGAVHSOH-UHFFFAOYSA-N 412.450 -0.518 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2noc3c2CCCCC3)n(C)c1=O 780925157 BVVIDLNUQSKSNN-UHFFFAOYSA-N 415.410 -0.848 50 20 HBGD COC(=O)c1cncc(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 788482308 ZTGGHSVUJPUTBK-UHFFFAOYSA-N 403.380 -0.533 50 20 HBGD CCOC(=O)C1(S(C)(=O)=O)CCN(CC(=O)NNC(=O)c2ccccc2)CC1 796569976 ZYUWOBNIXXPCJY-UHFFFAOYSA-N 411.480 -0.110 50 20 HBGD CNS(=O)(=O)c1ccccc1S(=O)(=O)NNC(=O)c1ccc2c(c1)OCO2 799519843 WGAYGOXHWUYXFF-UHFFFAOYSA-N 413.433 -0.053 50 20 HBGD C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NNC(=O)[C@H]1CCc2nncn2C1 816871134 BLHDKAKIISVTSA-AAEUAGOBSA-N 417.451 -0.773 50 20 HBGD CCS(=O)(=O)NCc1ccc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 1116121987 VTZSFZFSWGNBTG-ZDUSSCGKSA-N 403.482 -0.678 50 20 HBGD CNS(=O)(=O)c1ccc(CCC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 1317708396 WRDLHPKPVZHSOP-GFCCVEGCSA-N 403.482 -0.891 50 20 HBGD Cn1c(NNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)nc2ccccc2c1=O 1318560591 MTZQDQWQVUTELA-RYUDHWBXSA-N 419.463 -0.588 50 20 HBGD Cc1cc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)n[nH]1 1779157808 GEKKYPGHEARTOA-FQEVSTJZSA-N 412.255 -0.916 50 20 HBGD C[Si](C)(C)OCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)N1CCOCC1)CCO2 1779297168 UERXXEBNYYLIHC-FUHWJXTLSA-N 415.563 -0.682 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCCCN3C)C2)C1 1781034273 FBFVZUVDKVWXIN-UZLBHIALSA-N 409.531 -0.326 50 20 HBGD C[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCO2)C1 1783533476 XFDPXXKZAHMDOO-RWSFTLGLSA-N 405.293 -0.808 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)CCN3CCOCC3)CCO2)C1 1783875460 HYNIUAIJNYTBHG-YJBOKZPZSA-N 403.907 -0.208 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4cccnc34)C[C@@H]21)[C@@H](O)CCl 1784093039 PDPIELQGRBHGIA-MXAVVETBSA-N 407.858 -0.078 50 20 HBGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)CS(C)(=O)=O)C[C@@H]21 1791249691 OSLCKHPATHLBJW-FQKPHLNHSA-N 424.947 -0.099 50 20 HBGD O=C(CCC(F)(F)F)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1795399899 FMLMCQBAAMLWNI-YWVIFJGQSA-N 414.189 -0.088 50 20 HBGD Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)cn1 1795737178 ARIZJFKRUSZHQS-IZZQQSIFSA-N 409.251 -0.413 50 20 HBGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)N(C)C)CCO2)C1 1830047538 YXIQHMIWELKVJL-GUYCJALGSA-N 404.895 -0.269 50 20 HBGD CC[S@](=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830732117 UXOLDVDRGPEASB-DHGSNXJZSA-N 410.920 -0.799 50 20 HBGD O=C(NC1CCN(C2CCN(C(=O)[C@H](O)N3CCOCC3)CC2)CC1)[C@@H](F)Cl 1835084331 YJFKKKCWRPGOTE-QAPCUYQASA-N 420.913 -0.257 50 20 HBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc[nH]n3)CCO2)C1 1836353695 GFBOOGSAGGNAAM-HZMBPMFUSA-N 402.249 -0.342 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC3(F)F)C2)C1 1840184191 CCHFDZYOPLVQAA-CXAGYDPISA-N 418.441 -0.529 50 20 HBGD Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NNC(=O)C(=O)NC2CC2)C1 10215244 OKBSFZGOYTVVOE-LLVKDONJSA-N 413.456 -0.882 50 20 HBGD CNS(=O)(=O)c1cccc(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)c1 17193535 PJOBPSXUHPKZNP-UHFFFAOYSA-N 415.431 -0.084 50 20 HBGD O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NNC(=O)c1ccc(-n2cnnn2)cc1 27093823 FYHMIRQDYMZXHK-UHFFFAOYSA-N 420.389 -0.483 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cc(C(=O)O)cc2c1CCC2 728509820 OWKMOUQDVNISLZ-QMMMGPOBSA-N 405.454 -0.879 50 20 HBGD CCNS(=O)(=O)CCNC(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1 731679189 AMIPWVQOHXKPSO-UHFFFAOYSA-N 404.445 -0.404 50 20 HBGD CNS(=O)(=O)[C@@H]1CCCN(C(=O)NNC(=O)CNC(=O)c2cccs2)C1 733341757 GDLKDSKDRDRGOU-SNVBAGLBSA-N 403.486 -0.768 50 20 HBGD O=C(COCc1ccccc1)NNC(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 738497246 POFWWDLFSQZSKN-CQSZACIVSA-N 412.468 -0.773 50 20 HBGD CNS(=O)(=O)C[C@H]1CCCN1C(=O)NNC(=O)CNC(=O)c1cccs1 750277028 STYRLDNJXWJGIG-SNVBAGLBSA-N 403.486 -0.768 50 20 HBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)Cn1c(C)cc(O)cc1=O 753076108 JRYPGKYJDUDHMG-UHFFFAOYSA-N 407.452 -0.075 50 20 HBGD CCc1nc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)sc1C 756802649 DKRGXYHLZWDNFS-UHFFFAOYSA-N 420.455 -0.386 50 20 HBGD CN1CCN(CC(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)CC1 766659438 BBFJSLNMSCOTPV-UHFFFAOYSA-N 422.961 -0.148 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2ccc([N+](=O)[O-])cc2F)n(C)c1=O 777887966 NETYRKAZPVLMRH-UHFFFAOYSA-N 403.330 -0.369 50 20 HBGD CN(C)N(C(=O)Cn1cc(Br)c(O)nc1=O)[C@@H]1CCS(=O)(=O)C1 792854976 LOUPGDGGHSUWMI-MRVPVSSYSA-N 409.262 -0.796 50 20 HBGD CN(C)c1ncc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)cn1 797368584 DTRVDSLDTBDUKN-UHFFFAOYSA-N 415.410 -0.445 50 20 HBGD COc1cc(OC)c(NC(=O)NNC(=O)CNC(=O)CNC(C)=O)cc1Cl 802071895 IZQMCUNYHPUHEU-UHFFFAOYSA-N 401.807 -0.238 50 20 HBGD CCOC(=O)C1CCN(S(=O)(=O)NNC(=O)CNC(=O)c2ccco2)CC1 808086904 JFOGERSRGQYMHM-UHFFFAOYSA-N 402.429 -0.850 50 20 HBGD CC(C)Nc1ccc(S(=O)(=O)NCC(=O)NNC(=O)CN(C)C)cc1[N+](=O)[O-] 810333465 BEDHFPVMLONGND-UHFFFAOYSA-N 416.460 -0.598 50 20 HBGD CS(=O)(=O)NCCNC(=O)NNC(=O)COc1ccc(Br)cc1 914536841 AZODNGGUJSEVPB-UHFFFAOYSA-N 409.262 -0.293 50 20 HBGD CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)o1 914846589 NYHDAZBWWNQEQB-UHFFFAOYSA-N 405.396 -0.420 50 20 HBGD CCn1nc(C(=O)NNC(=O)N[C@@H](C)CN2CCN(C)CC2)c2ccccc2c1=O 1338672971 ZISMXVPTPPEGHM-AWEZNQCLSA-N 415.498 -0.004 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccnc(Cl)n3)C2)C1 1779505531 VFPQFAKEFSAGDY-GOSISDBHSA-N 424.889 -0.054 50 20 HBGD CC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN(CCO)CCO)C2 1780709100 FOLVZJXVXGFVDQ-FRQCXROJSA-N 419.950 -0.196 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3cc(F)c[nH]3)C2)C1 1783629665 OVEYIYZZDJPJPS-IBGZPJMESA-N 401.203 -0.409 50 20 HBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Cl)C[C@@H]21 1788638631 OVEPNOVOUYGNES-LXFSFDBISA-N 422.837 -0.005 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(=O)n1O)c1ccc(B(O)O)cc1 1794667911 DZMIIPPPMXORHU-MUJYYYPQSA-N 411.223 -0.669 50 20 HBGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCCS1(=O)=O 1800395959 RAKKBMRRMCNJJQ-YYHQMBLXSA-N 423.329 -0.063 50 20 HBGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(=O)n1O)C2 1802332727 FTDXEXAIKSQQAN-BTTYYORXSA-N 405.455 -0.290 50 20 HBGD C[C@H](CN)C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354467 CWOIRADWNFDZKP-MFKMUULPSA-N 402.285 -0.357 50 20 HBGD NC[C@H](N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cnccc2C(=O)NN)CC1 1827583629 BHLHHFGETMEHFX-IRXDYDNUSA-N 417.514 -0.796 50 20 HBGD O=C(c1cc2n(n1)CCC2)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731804 PUXRPMFZUAGLBX-QAPCUYQASA-N 412.874 -0.501 50 20 HBGD Cn1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)n1 1833882815 BCLNFCQTGVPWNR-QMTHXVAHSA-N 420.239 -0.424 50 20 HBGD COCC(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1837696762 GLNJSOGQWDIIJG-UHFFFAOYSA-N 404.272 -0.375 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(=O)oc3)C2)C1 1840151092 VYZQWTPPPVWIDP-RDTXWAMCSA-N 414.842 -0.036 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C3=COCC3)C2)C1 1840185147 LQDFNCBGDAXHGI-LJQANCHMSA-N 410.471 -0.880 50 20 HBGD Cn1cccc1C(=O)C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1846650485 OZCWUNRHWIBUQB-UHFFFAOYSA-N 410.434 -0.277 50 20 HBGD O=C(NCCS(=O)(=O)N1CCOCC1)NNC(=O)c1cccc2cccnc12 52145166 JBBZAZKZHIJJRI-UHFFFAOYSA-N 407.452 -0.159 50 20 HBGD O=C(NNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1cnccn1 196405963 XJXQZKMTTJOPFC-UHFFFAOYSA-N 411.465 -0.116 50 20 HBGD C=CCNS(=O)(=O)c1cccc(C(=O)NNC(=O)CNC(=O)c2ccco2)c1 725740836 ZKBZHPRTIPEZII-UHFFFAOYSA-N 406.420 -0.065 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cnn(Cc2ccccc2)c1 728509864 QLFHRZQRUJTJKY-NSHDSACASA-N 401.470 -0.821 50 20 HBGD Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 729275141 LYNBKNVMMPKNPQ-NSHDSACASA-N 407.452 -0.243 50 20 HBGD C[C@H]1CN(CCC(=O)NNC(=O)c2nc(S(C)(=O)=O)n3ccccc23)C[C@H](C)O1 732263697 NKUXMCVDXVDRCM-STQMWFEESA-N 423.495 -0.002 50 20 HBGD CN(C)c1cccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)c1 741143964 CUFPBNGTMPSQSX-UHFFFAOYSA-N 409.424 -0.816 50 20 HBGD NC(=O)c1cc(S(=O)(=O)NCC(=O)NNC(=O)Cn2ccc3ccccc32)c[nH]1 746223361 KDEIAADYSPMTSC-UHFFFAOYSA-N 418.435 -0.806 50 20 HBGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)ccc1F 752504082 WVSQPQQDPDBMHL-UHFFFAOYSA-N 419.398 -0.216 50 20 HBGD Cn1cc(C(N)=O)cc1C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 755037607 SUAKKXAAGIFWIQ-UHFFFAOYSA-N 419.463 -0.017 50 20 HBGD COC(=O)CCCOc1ccc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)cc1 784000773 ZPUAJUZLSQWQQP-UHFFFAOYSA-N 420.422 -0.273 50 20 HBGD CC(C)(O)CC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 792030731 RMALXJITDSEKEO-UHFFFAOYSA-N 413.496 -0.052 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)C3(S(C)(=O)=O)CC3)cc2)CC1 792267380 JXLHNEBLYFGZCS-UHFFFAOYSA-N 416.525 -0.357 50 20 HBGD CCN(CC)C(=O)CN1CCN(CC(=O)NNC(=O)Cc2nc(C)cs2)CC1 795327066 CSRLVTAJFSWPAA-UHFFFAOYSA-N 410.544 -0.373 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)cc1S(=O)(=O)NC1CC1 815779753 TZJNLGWZLSMNNU-CYBMUJFWSA-N 410.452 -0.299 50 20 HBGD CNC(=O)NCCC(=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 815828001 XYPSGNWGNQEALA-UHFFFAOYSA-N 410.906 -0.076 50 20 HBGD Cn1nc(SCC(=O)NN=Cc2cccc3c2OCCCO3)c(=O)n(C)c1=O 917545183 RCSRIDDRYVBNQW-UHFFFAOYSA-N 405.436 -0.117 50 20 HBGD CCN1C(=O)C(=CNNC(=O)c2ccc(-n3cnnn3)cc2)C(=O)N(CC)C1=S 920979866 LFEQJNOJHVIALS-UHFFFAOYSA-N 414.451 -0.224 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CC1(CC(=O)N2CCOCC2)CCCC1 1254746783 ZQKGARIDEOWLFI-CYBMUJFWSA-N 418.516 -0.729 50 20 HBGD Cn1cc(S(=O)(=O)NCC(=O)NNC(=O)c2ccc(Br)cc2)cn1 1322933767 JJKSFZSRLYDGHJ-UHFFFAOYSA-N 416.257 -0.078 50 20 HBGD Cn1ccnc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779031272 PUXJYBOYKNTCDL-LJQANCHMSA-N 413.438 -0.824 50 20 HBGD CCO/C=C/C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779034269 PXLPHXHQPCGYIR-ROSSNEFBSA-N 403.439 -0.321 50 20 HBGD CC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)C[C@@H]21 1789860354 QIANLAYBFROPIB-KQXIARHKSA-N 423.861 -0.577 50 20 HBGD O=C(CCn1cncn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2 1801262606 NOEDSNWQYCBLBE-LFSVMHDDSA-N 404.240 -0.052 50 20 HBGD O=C(/C=C/c1cnccn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1801445623 ATNTVMDMVSKBLV-HMAWRFLHSA-N 422.250 -0.927 50 20 HBGD COC[C@@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(=O)n3[nH]nnc3n1)C2 1802277899 ZOGISENCLOZXCC-LMLFDSFASA-N 409.834 -0.682 50 20 HBGD CNC(=O)CC(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1803478029 YSFGFWVDTHDLIB-UZLBHIALSA-N 424.266 -0.783 50 20 HBGD CCOC(=O)N[C@@H](O)C(=O)N1CCC2(CCCN(C(=O)[C@@H](O)CCl)C2)CC1 1805524622 WDDWWQWIWZGQHZ-STQMWFEESA-N 405.879 -0.118 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3noc(C)n3)CCO2)C1 1832931024 VAZQZAPQOMAGGB-DYVFJYSZSA-N 416.862 -0.369 50 20 HBGD C=CC(=O)N[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833312454 NMDHDJPSVIQRLX-CJNGLKHVSA-N 414.934 -0.152 50 20 HBGD O=C([C@@H]1C[C@H](O)CN1)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836718423 YPYJAGSNEDXPCS-RCBQFDQVSA-N 403.907 -0.693 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)NC3)C2)C1 1839141806 SYBPTOGIQRTTNP-QWQRMKEZSA-N 401.891 -0.014 50 20 HBGD O=C(Cn1ccncc1=O)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1839665522 JMWCCUHQVOVGKO-INIZCTEOSA-N 419.265 -0.497 50 20 HBGD COc1cc(C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)n(C)n1 1842203193 AMLLULQHECASRV-UHFFFAOYSA-N 413.438 -0.442 50 20 HBGD CC(C)(C)n1cc(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)nn1 1843011655 BRBMDLOYVLBJFF-UHFFFAOYSA-N 411.271 -0.156 50 20 HBGD CCC(CC)NC(=O)C(=O)NNC(=O)Cn1c(=O)n(CC)c(=O)c2ccccc21 740852159 NTDGQJYLYWMDAE-UHFFFAOYSA-N 403.439 -0.365 50 20 HBGD COc1cc(OC)cc(C(=O)NNC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)c1 742473315 AZUDZOOTKSTIBU-RRCSTGOVSA-N 403.391 -0.373 50 20 HBGD COc1ccc(CC(=O)O)cc1S(=O)(=O)NNC(=O)CNC(=O)c1ccco1 751281423 DJJLSVFXPHFWMT-UHFFFAOYSA-N 411.392 -0.345 50 20 HBGD COC(=O)Cn1ccc(NC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)n1 756644966 GTRWFHYTHHMNRI-UHFFFAOYSA-N 402.415 -0.085 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CN(C)C)cc1S(=O)(=O)NC(C)(C)C 764203600 JCKMYVMGBBNJJL-UHFFFAOYSA-N 413.500 -0.281 50 20 HBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)N[C@@H](C)CO)cc1 772002982 HSMQJYWGYZUXIY-QWRGUYRKSA-N 401.441 -0.552 50 20 HBGD Cc1cc(-n2cccn2)ccc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 789584123 DIMDVHJEFBJMIG-NSHDSACASA-N 408.440 -0.796 50 20 HBGD Cc1cc(C)nc(SCC(=O)NN=Cc2c(N(C)C)n(C)c(=O)n(C)c2=O)n1 807945571 FBEIMJGWNNDJPQ-UHFFFAOYSA-N 405.484 -0.201 50 20 HBGD C[C@@H]1CC[C@H](C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)O1 1778198481 HOCMPASILUTOMK-WIBUTAKZSA-N 402.256 -0.623 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1783879884 ZBKNGCRFNJFDLH-DYVFJYSZSA-N 404.895 -0.557 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccnn3)C[C@@H]21)c1ccc(B(O)O)cc1 1786981120 TXZYEQDVSYSIGC-ZVZYQTTQSA-N 410.239 -0.937 50 20 HBGD CC(C)(O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788610614 LJAKDIYKCRCCSR-RCBQFDQVSA-N 419.482 -0.561 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(F)c[nH]1)C2)c1ccc(B(O)O)cc1 1795736645 BBHUIBDQHABPNB-FVCICTRLSA-N 401.203 -0.649 50 20 HBGD CC(C)CNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796190916 BMPQNLGTINWZBT-BJWYYQGGSA-N 401.272 -0.610 50 20 HBGD O=C(/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2)NC1CC1 1798295679 HSQQRSCPOWZOLP-BZYLRBNYSA-N 411.267 -0.547 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Br)[C@H](O)N1CCOCC1 1800158535 PCIOOCHQWUHLAW-ONQKKCPMSA-N 408.268 -0.034 50 20 HBGD CN(CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCBr)C2)C(=O)C(=O)O 1801326517 LICOHNJIWYDBEE-JGPRNRPPSA-N 404.261 -0.047 50 20 HBGD O=C1NC(=O)[C@@H](CC(=O)N2CCCC3(CCN(C(=O)[C@H](O)CCl)CC3)C2)N1 1806842501 PQLWETHYRTYTNZ-VXGBXAGGSA-N 400.863 -0.585 50 20 HBGD N=C(N)SCC(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809976851 TUUGYMDLHAYWGM-UHFFFAOYSA-N 418.328 -0.162 50 20 HBGD CC(=O)N[C@H](C)C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809980240 PYCALLQUBNDOSL-OAHLLOKOSA-N 415.299 -0.264 50 20 HBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)[C@H](O)CCl 1814870171 KXNOKRVJLRTTKB-LSDHHAIUSA-N 420.662 -0.005 50 20 HBGD O=C(c1cnc2[nH]ncc2c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830732413 XJSRKAZUWCHGQZ-RDTXWAMCSA-N 423.857 -0.372 50 20 HBGD Cn1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(Cl)Cl)C3)C2)cc1O 1833410222 FGTMIZLLBLNHOX-OAHLLOKOSA-N 407.254 -0.001 50 20 HBGD N=C(N)SCC(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1834652839 JLXZYHKNFLXNER-ZDUSSCGKSA-N 405.952 -0.216 50 20 HBGD COCCOCC(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1835242068 ICHRCKTZARHEJW-SFHVURJKSA-N 418.563 -0.043 50 20 HBGD CCc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)co1 1838131509 HLTSTELHWPCFRI-CXAGYDPISA-N 401.847 -0.093 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(C)noc3N)C2)C1 1840152027 URIKGKWAGYEDCG-PXAZEXFGSA-N 416.862 -0.111 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCSC)C2)C1 1840155711 GXQJHGAWTUSSQK-VBQJREDUSA-N 424.947 -0.189 50 20 HBGD COC(=O)[C@@H]1CC[C@@H](C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)C1 1843012896 QRSIRCPIAWQIQQ-HZPDHXFCSA-N 414.267 -0.227 50 20 HBGD NS(=O)(=O)c1ccc(CNC(=O)NNC(=O)CNC(=O)c2cccs2)cc1 725872786 RHQYNJXAOPFGRZ-UHFFFAOYSA-N 411.465 -0.344 50 20 HBGD C[C@H]1CN(CC(=O)NNC(=O)C(C)(C)C)CCN1CC(=O)NNC(=O)C(C)(C)C 744387175 MFSIVNJNADXZEL-ZDUSSCGKSA-N 412.535 -0.621 50 20 HBGD O=C(NCCS(=O)(=O)N1CCOCC1)NNC(=O)c1cc(Br)c[nH]1 748095243 PFNJFRQQAMLLBV-UHFFFAOYSA-N 424.277 -0.617 50 20 HBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)Nc1ccc(CN2C(=O)CCC2=O)cc1 755662381 JQIPTJPAUVFLGH-LBPRGKRZSA-N 408.436 -0.077 50 20 HBGD C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1 755680985 DXNJWJQNVLUBRO-LLVKDONJSA-N 417.451 -0.062 50 20 HBGD COc1cccc(C(=O)NNC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)c1O 756659149 NMXYRDVGYACNIT-UHFFFAOYSA-N 418.410 -0.077 50 20 HBGD CS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)cn1 764166995 GXGRUNPUQPHHSN-CYBMUJFWSA-N 404.404 -0.425 50 20 HBGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 764344430 CIPKEVWANWYVTO-HNNXBMFYSA-N 409.402 -0.522 50 20 HBGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(N2CCOCC2)c(C)c1 764398562 UCEAFRCLNIXZCS-CQSZACIVSA-N 408.455 -0.031 50 20 HBGD CO[C@@]1(CNC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)CCOC1 764804010 QBSQKEIBFFHDTD-QGZVFWFLSA-N 414.484 -0.249 50 20 HBGD COc1ccc(C(=O)NNC(=O)c2cc(C)[nH]n2)cc1S(=O)(=O)N1CCOCC1 765585626 CGZIBXPQUHNJPL-UHFFFAOYSA-N 423.451 -0.178 50 20 HBGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)c1cn(CC(=O)N(C)C)nn1 767304723 CULKLSSJSSNWFE-UHFFFAOYSA-N 402.411 -0.778 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NN=c1cc[nH]cc1 783379079 TZKHEMPROQGKCO-UHFFFAOYSA-N 419.463 -0.085 50 20 HBGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)cc(Cl)c1F 792266271 PFNWKUJKRWYEJQ-SNVBAGLBSA-N 403.750 -0.233 50 20 HBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)NC[C@@H]1CCCCN1S(C)(=O)=O 805835715 QXBWBNTUIOMWBV-NSHDSACASA-N 407.493 -0.344 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cnn(C)c1-c1ccccc1 806978218 RFDYSOOGBRAZFC-SNVBAGLBSA-N 408.440 -0.889 50 20 HBGD Cn1ncc2c(O)nc(NNC(=O)NC[C@@H](N3CCOCC3)C(F)(F)F)nc21 807539280 BGAWGPMEKRSDMY-SECBINFHSA-N 404.353 -0.042 50 20 HBGD CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)ccc1F 815778496 UJGWZCHTRVDLCM-LLVKDONJSA-N 402.404 -0.659 50 20 HBGD C[C@H]1CN(CCC(=O)NNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C[C@@H](C)O1 912920206 YEGDFPAWDNLBPD-OKILXGFUSA-N 423.495 -0.517 50 20 HBGD COCCN1C[C@H](C(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)CC1=O 914662955 MLPRCQKGBJSENY-GFCCVEGCSA-N 408.367 -0.606 50 20 HBGD CNC(=O)CN1CCC(NC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)CC1 914829835 YUVGBQWCLMVCOU-UHFFFAOYSA-N 415.454 -0.268 50 20 HBGD Cc1occc1C(=O)NCC(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 917316216 VTPHSZILAPDCIL-OAHLLOKOSA-N 417.374 -0.152 50 20 HBGD COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)NNC(=O)N(C)C 1337966531 GPNFWDGIXBZLNJ-GFCCVEGCSA-N 400.457 -0.469 50 20 HBGD CN1CCN(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)CC1 1778261957 MVFCTWOHZVIVGP-GDBMZVCRSA-N 421.311 -0.246 50 20 HBGD CC(C)NCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786979975 VZAWRZYHDDMGLU-WDSOQIARSA-N 417.315 -0.652 50 20 HBGD COC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786982266 VVHMICDYRBDULC-XIRDDKMYSA-N 404.272 -0.615 50 20 HBGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21 1791058131 QQPBYMQRDJSSFG-BJDJZHNGSA-N 401.265 -0.564 50 20 HBGD CN1N=C(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](F)Br)C3)CCC1=O 1793787894 MYFXJTOCFOHMSA-OTMMVIPVSA-N 419.251 -0.125 50 20 HBGD O=C(CN1CCCC1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2 1795451339 RJPQTBVLNVJQOT-RDBQEKCUSA-N 406.252 -0.111 50 20 HBGD CC(=O)N(C)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796187955 PGTVMBRYFPUWMZ-BCDXTJNWSA-N 401.272 -0.513 50 20 HBGD C[C@@H](Cn1cncn1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1798576725 WAXBVXYAHDTBGA-RUGDWHBFSA-N 411.271 -0.454 50 20 HBGD COc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)nn1 1799055841 VAKIHCLIFZKBBL-MUJYYYPQSA-N 410.239 -0.269 50 20 HBGD COC[C@@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@](C)(Cl)CCl 1799277182 SUSQEWIDXPPCMD-RFJMFJJWSA-N 424.325 -0.037 50 20 HBGD COC[C@@H](Cl)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](N)CCC(N)=O)sc2C1 1814810228 LXIISNYVKQNNKS-BBBLOLIVSA-N 417.919 -0.098 50 20 HBGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCNC3=N)C2)C1 1831645398 CYTHPKLCONFOJN-KBXCAEBGSA-N 415.922 -0.310 50 20 HBGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc[nH]n3)CCO2)C1 1836353698 GFBOOGSAGGNAAM-YGRLFVJLSA-N 402.249 -0.342 50 20 HBGD COc1ccnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1 1837950445 HQEQWCZAOUYQIX-QAPCUYQASA-N 413.858 -0.240 50 20 HBGD CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1839880196 JFWWYMQKAIJYDU-IXPVHAAZSA-N 424.267 -0.342 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CSCC(=O)O)C2)C1 1840155977 LHTAPUUIFYWEEK-WBMJQRKESA-N 424.903 -0.486 50 20 HBGD Cn1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cn1 1840462886 SBMRFSVDDCGMPY-RHSMWYFYSA-N 400.863 -0.981 50 20 HBGD CCOc1cnc(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)cn1 1842200359 VCZRJPCRCSSYEG-UHFFFAOYSA-N 410.239 -0.314 50 20 HBGD CC[C@@H](NC(C)=O)C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844263263 KVEYUGYZENVDCH-OAHLLOKOSA-N 402.455 -0.583 50 20 HBGD CCn1nc(C(=O)NNC(=O)[C@H]2CCCCN2S(C)(=O)=O)c2ccccc2c1=O 14709114 LSUPAROQPQYMLD-CQSZACIVSA-N 421.479 -0.009 50 20 HBGD O=C(CS[C@H]1CCS(=O)(=O)C1)NNC(=O)c1csc(N2CCOCC2)n1 726089724 RQBYLSYRARYKSF-JTQLQIEISA-N 420.538 -0.339 50 20 HBGD CS(=O)(=O)[C@H]1CCCC1=NNC(=O)C(=O)NN=C1CCC[C@H]1S(C)(=O)=O 741451015 AGUVHESBMNQHDH-TXEJJXNPSA-N 406.486 -0.875 50 20 HBGD O=C(CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NNC(=O)COc1ccc(F)cc1 742477301 FWRJEMGDLLFPCU-BQGCOEIASA-N 405.382 -0.096 50 20 HBGD COc1cc(C(=O)NCC(=O)NNC(=O)C(=O)N2CCCC2)ccc1OC(F)F 748344161 XJUABYQVWWZKIY-UHFFFAOYSA-N 414.365 -0.204 50 20 HBGD COC(=O)c1cc2c(cc1NC(=O)C(=O)NN[C@]1(C)CCS(=O)(=O)C1)OCO2 753853386 RXGKWCYTMZGPOW-MRXNPFEDSA-N 413.408 -0.662 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 758029834 OLWXOYHRTTWKHJ-JTQLQIEISA-N 418.497 -0.903 50 20 HBGD COc1cc(Cl)c(C)cc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764234442 XZHZIZXAQQHAAI-MRVPVSSYSA-N 406.848 -0.319 50 20 HBGD CCCCS(=O)(=O)c1ccc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1 765846872 HZXSMTHQZQYHRV-NSHDSACASA-N 405.498 -0.041 50 20 HBGD C[C@H]1CCCC[C@@H]1OCC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 766646215 XWGARHXEWZPPFY-RYUDHWBXSA-N 406.443 -0.824 50 20 HBGD CN(CCc1ccccn1)C(=O)CNC(=O)NNC(=O)CNC(=O)OC(C)(C)C 778645559 CAGWMUSKOFBWCP-UHFFFAOYSA-N 408.459 -0.062 50 20 HBGD CN1CCN(C(=O)NNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)CC1 788167214 YKVRYXVTCHAFLS-LBPRGKRZSA-N 401.514 -0.111 50 20 HBGD CN(C)N(C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 792855410 RTXMVIWVLFFKEN-AWEZNQCLSA-N 413.456 -0.114 50 20 HBGD N#Cc1ccc(C(=O)NNC(=O)CN2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1 1254246297 NCRDTDRDCLGXCE-MRXNPFEDSA-N 405.480 -0.876 50 20 HBGD CC(=O)N1CCc2ccc(S(=O)(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)cc21 1328422316 ZHBMVVPEQJTAHB-GFCCVEGCSA-N 401.466 -0.660 50 20 HBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)N1CCOCC1)C2)[C@H](F)Cl 1778031290 UQBYVCFENSVWMQ-IARIHHJXSA-N 407.870 -0.315 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCN(C)CC3)C2)C1 1778264334 VAQBLEQNECCZLA-WMLDXEAASA-N 417.348 -0.153 50 20 HBGD COCC1(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)CC1 1779029508 SXBSZZGHMRQDHX-HXUWFJFHSA-N 417.466 -0.445 50 20 HBGD CN1CCN(CC(=O)N2CCO[C@@]3(CCN(C(=O)CO[Si](C)(C)C)C3)C2)CC1 1779297049 PPCQRJSWVZFQLX-LJQANCHMSA-N 412.607 -0.085 50 20 HBGD C[C@H](Br)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](N)CCC(N)=O)CCO2 1783532663 MHNIKLBBVFFXSG-PGUXBMHVSA-N 405.293 -0.808 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)C3CCC(O)CC3)C2)C1 1784144435 TVXGEEZFOPOXDQ-ALLBUHFWSA-N 410.515 -0.260 50 20 HBGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C)n1ccnc1 1801010625 NAVVMEQNZYQIOV-ZXFNITATSA-N 406.487 -0.593 50 20 HBGD NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1812629480 ZDOBIABNXKQFSZ-OXQOHEQNSA-N 424.266 -0.654 50 20 HBGD O=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)=NN1 1817476235 MQDNYECXODTFMW-OAHLLOKOSA-N 424.226 -0.729 50 20 HBGD CC(=O)N[C@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCC(=O)NN(C)C)CC2 1825228729 BIKDLLYNSIZLAV-ZYHUDNBSSA-N 424.527 -0.047 50 20 HBGD N[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1)c1ccccn1 1835695491 LCKOSDQIUQDMOK-MPGHIAIKSA-N 412.874 -0.863 50 20 HBGD CC(C)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835935882 VPYFCXMOVLZFNG-LJQANCHMSA-N 408.235 -0.816 50 20 HBGD O=C(CN1CCOCC1)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836716784 QHVHYJLJQKSIKS-KRWDZBQOSA-N 417.934 -0.083 50 20 HBGD COC(OC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840030313 IHHKHPDVPPWNJS-ABAIWWIYSA-N 409.277 -0.155 50 20 HBGD O=C(CNS(=O)(=O)c1c(Cl)cccc1Cl)NNC(=O)C(=O)NC1CC1 726619042 LLBPPIPFFZMJSD-UHFFFAOYSA-N 409.251 -0.302 50 20 HBGD Cc1ccc(NCC(=O)NNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c(C)c1 728205465 JYWIDBBYBQETKR-LSDHHAIUSA-N 422.507 -0.102 50 20 HBGD CCOCCOc1ccc(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1 728510887 XHPYLWXLDKFGHU-LLVKDONJSA-N 409.486 -0.651 50 20 HBGD CS(=O)(=O)N1CCCC[C@H]1C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 728847747 NTNHHKSKCNJFST-AWEZNQCLSA-N 410.500 -0.346 50 20 HBGD Cn1cnc2c1c(=O)n(CC(=O)NNc1ccc(Br)nc1)c(=O)n2C 732836449 HXJFFXDAMFKWQX-UHFFFAOYSA-N 408.216 -0.266 50 20 HBGD Cn1c(NNC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)nc2ccccc2c1=O 733260760 QFNJYKARATULGA-CQSZACIVSA-N 414.466 -0.443 50 20 HBGD Cn1ccnc(N2CCN(CC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1=O 745990453 FUMJEULIKWNGPV-UHFFFAOYSA-N 415.410 -0.728 50 20 HBGD CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)NNC(=O)Cc1ccncc1 747580971 LDYZQRHGMVPCCN-UHFFFAOYSA-N 421.479 -0.233 50 20 HBGD Cn1c(=O)oc2cc(S(=O)(=O)NNC(=O)CNC(=O)c3cccs3)ccc21 751280478 SENJEDQXWLMSGM-UHFFFAOYSA-N 410.433 -0.068 50 20 HBGD CS(=O)(=O)N1CCN(CC(=O)NNC(=O)c2cccc(Br)c2)CC1 759469461 LHALFBDJPIBTNY-UHFFFAOYSA-N 419.301 -0.213 50 20 HBGD CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NNC(=O)CC3CC3)c2)CC1 764142948 MSUZSJNNUWXCPC-UHFFFAOYSA-N 423.495 -0.491 50 20 HBGD Cc1ccc(CN2CCN(CC(=O)NNS(=O)(=O)N3CCOCC3)CC2)cc1 765128462 VSHYYGQQUQXIEC-UHFFFAOYSA-N 411.528 -0.690 50 20 HBGD CC[C@H](Nc1ccccc1)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 766636874 POQXSQGPAGEZPK-ZDUSSCGKSA-N 413.438 -0.528 50 20 HBGD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 777921934 AEUXJNPSSIFYGB-QMMMGPOBSA-N 410.405 -0.278 50 20 HBGD CCOC(=O)COc1cccc(NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)c1 783427143 QCHIQLIHEVUHMO-QGZVFWFLSA-N 413.452 -0.235 50 20 HBGD Cc1cccc(C(=O)NNC(=O)Cn2c(=O)oc3cc(S(N)(=O)=O)ccc32)n1 794089817 KIMNCPJFIYVKQA-UHFFFAOYSA-N 405.392 -0.593 50 20 HBGD Cn1ccc(CCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)n1 794201369 VGNMMHZPCDVKBE-UHFFFAOYSA-N 421.479 -0.165 50 20 HBGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)c1ccc(S(N)(=O)=O)cn1 798336870 MLHNSPDWYJKKIJ-UHFFFAOYSA-N 401.445 -0.205 50 20 HBGD CN1CC(=O)N(CCCC(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)C1=O 802068376 IUYQBXBAFKVWSM-UHFFFAOYSA-N 411.440 -0.083 50 20 HBGD Cc1cccc(OCC(=O)NNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c1 914829809 WDRKDWBYYBCPNN-ZIAGYGMSSA-N 409.464 -0.443 50 20 HBGD C[C@H](NS(=O)(=O)c1cccs1)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 917925386 KYBLYQWFGGIHBS-JTQLQIEISA-N 421.464 -0.148 50 20 HBGD CS(=O)(=O)[C@H]1CCN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)C1 1321190106 PJHVWGNLNGLEPD-JTQLQIEISA-N 403.486 -0.547 50 20 HBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)C1=COCC1 1782726813 CREKHHKHGZTIFA-WIYYLYMNSA-N 414.267 -0.202 50 20 HBGD COCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1783926006 KUJQWTOISPMNHU-SZMVWBNQSA-N 404.272 -0.614 50 20 HBGD Cc1nccnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1789036156 NUOKJGXKGADTQT-SZMVWBNQSA-N 424.266 -0.628 50 20 HBGD O=C(CCc1ccco1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1794125939 VPVIDVQMIGDGFG-CWPLJXCYSA-N 412.251 -0.205 50 20 HBGD N#Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c1 1795735215 QDNHWSWUNFMZCF-OPVJXMOQSA-N 419.246 -0.245 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@@H]3C=CS[C@@H]13)C2)c1cccc(B(O)O)c1 1795741311 SXTHWRRURJUCQA-ZACOSQSXSA-N 414.292 -0.555 50 20 HBGD C[C@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)N1CCOCC1)C2 1799277157 SHJFEHYVIXHAJA-WLZFUECHSA-N 424.325 -0.537 50 20 HBGD O=C([C@@H](O)CCl)N1CCC([C@@H]2CCCCN2C(=O)CN(CCO)CCO)CC1 1831482040 IUZHZNSRNYKCJE-IRXDYDNUSA-N 419.950 -0.508 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CC(=O)NC3=O)CCO2)C1 1832480507 OHTXZXOUHANOHD-SJKOYZFVSA-N 416.862 -0.988 50 20 HBGD N=C(N)SCC(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833309032 JTYUDZAZWGPEEX-CYBMUJFWSA-N 405.952 -0.216 50 20 HBGD C[C@@H]1C[C@@]1(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939583 UGWXQCHLLDPVAI-LPTQZCDUSA-N 416.283 -0.518 50 20 HBGD CC[C@H](O)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1836664308 HZJLNLBNPXYJRY-IBGZPJMESA-N 418.299 -0.251 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1839148971 PFHKYXWJCCYWOB-UGSOOPFHSA-N 413.858 -0.615 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C=CCN3)C2)C1 1840032958 ORTMDHLLPZTVGS-XEZPLFJOSA-N 402.289 -0.246 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN(C)C(C)=O)C2)C1 1840151314 YGDXCELIPHWHIV-YJBOKZPZSA-N 419.906 -0.435 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)C13CC(C1)C3)CCO2 1840597810 BPRLZLYIHNFDFD-KUTOWUBSSA-N 414.267 -0.764 50 20 HBGD O=C(COC(=O)C(F)(F)F)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011589 UACXGXOLRVLLIO-UHFFFAOYSA-N 414.145 -0.711 50 20 HBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)ccc1OC 739671641 XFEOFGZFRJBTGD-VIFPVBQESA-N 406.438 -0.774 50 20 HBGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)Cn2c(=O)nc(O)c3ccccc32)cc1 744530351 IEKBMVPFJSLRKF-UHFFFAOYSA-N 421.369 -0.022 50 20 HBGD O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1O)N[C@@H]1CCN(CCN2CCOCC2)C1 745826685 BZEJAICCUJYZEN-CYBMUJFWSA-N 422.442 -0.349 50 20 HBGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 760439292 JFORIAWFWXDPGE-UHFFFAOYSA-N 413.456 -0.454 50 20 HBGD CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NNC(=O)c1ccc2c(c1)OCO2 763548112 JIRKDJXYDBHPOD-UHFFFAOYSA-N 403.351 -0.275 50 20 HBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1 764316858 GQACREFBDARUMD-UHFFFAOYSA-N 400.457 -0.161 50 20 HBGD O=C(Cc1cccnc1)NNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 780601625 YIMCISNYMHANBQ-ZBFHGGJFSA-N 422.438 -0.265 50 20 HBGD COC(=O)CNC(=O)NNS(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC 790068673 RGJYFALEAGCLFL-UHFFFAOYSA-N 422.847 -0.284 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2CCc3nnn(C)c3C2)c1 809940044 BSAPAVXBPMPXDW-LBPRGKRZSA-N 406.468 -0.369 50 20 HBGD Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 915686429 XPVUFLJOMBAHFC-OCCSQVGLSA-N 410.431 -0.513 50 20 HBGD CCS(=O)(=O)N1CCC[C@H](C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)C1 918549992 YJKAZGOFKUWZNJ-LBPRGKRZSA-N 421.479 -0.244 50 20 HBGD O=C(Cc1ccc(S(=O)(=O)CCO)cc1)NNC(=O)[C@@H]1COc2ccccc2O1 1319626912 OZLCTXISJYFAQE-KRWDZBQOSA-N 420.443 -0.018 50 20 HBGD O=C(c1c[nH]c(=O)cn1)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781334180 MUCJEFWAAXKEBG-FZMZJTMJSA-N 403.208 -0.096 50 20 HBGD O=C(CN1C(=O)C=CC1=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](F)Cl)C2 1782313664 UTQIDDJCMDXJRV-XQAQDONZSA-N 401.822 -0.040 50 20 HBGD CCN(C)[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1782618641 SDWDRMYSXQUTIU-JLTOFOAXSA-N 418.498 -0.531 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](COC)NC(C)=O)CCO2 1783877894 RJKJHLQMNASLTI-JJRVBVJISA-N 405.879 -0.779 50 20 HBGD COc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)ccn1 1783935238 PDLCPBFGWZCVCR-HXUWFJFHSA-N 419.482 -0.093 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=COCC3)[C@H]2C1 1791782601 MKHSFPXFOWOGFZ-ZLIFDBKOSA-N 415.450 -0.417 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnc(F)c1 1793554345 IGEFQVMPCIICDD-ZSBFGKGUSA-N 407.446 -0.203 50 20 HBGD C[C@@H](CC(N)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1793662435 BZPOHXVWVCOKSD-RVMXOQNASA-N 402.455 -0.552 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H]1CCCCO1 1793771174 YWWGOAHWRJXOEY-UIVXKWKOSA-N 410.515 -0.092 50 20 HBGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCOCC1)C2 1800976022 ZVDBBGBRQAKCBM-JYYAWHABSA-N 403.907 -0.448 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1cccnc1)C2 1801010556 GFSPELFPKODQFD-YVWYUNDQSA-N 419.482 -0.577 50 20 HBGD C[C@@H](Cn1ccnc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801012445 ZRMNIZTVCIJEAI-GGXPGOJBSA-N 420.514 -0.518 50 20 HBGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C2 1802332619 FBPHOQFNDZHROA-BTTYYORXSA-N 421.458 -0.198 50 20 HBGD O=C(c1cn2cccnc2n1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830730993 GUBVCRPXYAGZKV-KDOFPFPSSA-N 423.857 -0.601 50 20 HBGD COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)n(C)n1 1833438917 JVQQVJWPOITODX-CXAGYDPISA-N 416.862 -0.902 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccno3)C2)C1 1840183572 MRWIKSBZSLWQRN-GOSISDBHSA-N 409.443 -0.882 50 20 HBGD O=C(CN1C(=O)NC2(CCCCC2)C1=O)NNC(=O)c1ccc(-n2cnnn2)cc1 27093994 SOSMSRQWHRZYST-UHFFFAOYSA-N 412.410 -0.322 50 20 HBGD CC(C)CCC(=O)NNC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 727481832 NWKMWYSOWJCSDY-UHFFFAOYSA-N 415.472 -0.138 50 20 HBGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NCCCN2C(=O)CNC2=O)nc1 731119185 YVFITZJKLMOMSE-UHFFFAOYSA-N 413.460 -0.664 50 20 HBGD CCn1nc(C(=O)OCC(=O)NNC(=O)c2ccc(OC)c(OC)c2)ccc1=O 732370874 BFJTVBSARMXXKT-UHFFFAOYSA-N 404.379 -0.102 50 20 HBGD Cn1nnc2cc(C=NNC(=O)C(=O)NN=Cc3ccc4c(c3)nnn4C)ccc21 737416726 SMSCQGMSOFWISD-UHFFFAOYSA-N 404.394 -0.150 50 20 HBGD COc1ccc(C(=O)NNC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1OC 742473180 WEJMXQULOULKQZ-MPTQWLOMSA-N 403.391 -0.373 50 20 HBGD C[C@H](C(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1)N1C(=O)CCC1=O 744620347 BEZSMPQWYIVPMM-GFCCVEGCSA-N 410.452 -0.312 50 20 HBGD CN(C)CCN1C[C@@H](C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)CC1=O 746269564 CNFKSXNLIFCQKW-LBPRGKRZSA-N 400.480 -0.748 50 20 HBGD O=C(Cc1cn2ccccc2n1)NNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 746544983 DPKRJEFUPPUVSO-UHFFFAOYSA-N 400.420 -0.478 50 20 HBGD COCCN1C(=O)/C(=C/NNC(=O)Cc2cn3ccccc3n2)C(=O)NC1=S 746806985 LDENHVFGOOGDTO-FMIVXFBMSA-N 402.436 -0.729 50 20 HBGD COc1ccccc1CC(=O)NNC(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C 748068010 IQWXXVPHZLLLNQ-UHFFFAOYSA-N 411.418 -0.047 50 20 HBGD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNc1cc(Cl)nc(N)n1 753464132 LXJMYVXDQCMQTA-UHFFFAOYSA-N 415.863 -0.172 50 20 HBGD Cc1cc(Br)ncc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 764231170 NAZQQIYNOKGQHQ-ZETCQYMHSA-N 422.261 -0.824 50 20 HBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 764302360 CKCRSAGTAACZLP-LBPRGKRZSA-N 412.468 -0.161 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CCSc2ccccc2)n(C)c1=O 765730834 OSRFTTNPPBIKAR-UHFFFAOYSA-N 416.463 -0.237 50 20 HBGD Cn1ncc2c(O)nc(NNC(=O)CN3C(=O)N[C@](C)(c4ccccc4)C3=O)nc21 770974133 RMGYDTNAZKVJPH-GOSISDBHSA-N 410.394 -0.021 50 20 HBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(CN2CCN(C(C)=O)CC2)cc1 784917696 QNJYCVBWWQWZFV-UHFFFAOYSA-N 404.471 -0.018 50 20 HBGD CCOCCS(=O)(=O)NCC(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1 802067043 JBFOOYJYSLYKOX-UHFFFAOYSA-N 422.485 -0.801 50 20 HBGD C#CC[C@@]1(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)CCCN1C(=O)OC(C)(C)C 809666280 SNEYTUAXTTVBFC-PXAZEXFGSA-N 416.500 -0.136 50 20 HBGD COc1ccc(C(=O)NNC(=O)COC(=O)[C@@H]2CCc3nnn(C)c3C2)cc1OC 811344773 QRSMWXSHXDGFNC-GFCCVEGCSA-N 417.422 -0.058 50 20 HBGD CCN1C(=O)c2ccc(C(=O)NNC(=O)[C@@H]3CCc4nncn4C3)cc2S1(=O)=O 816876882 GBANEAQIEJRNEY-LLVKDONJSA-N 418.435 -0.534 50 20 HBGD CNC(=O)CCCNC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 918235833 SAQAYYQWOTVXIW-UHFFFAOYSA-N 411.484 -0.059 50 20 HBGD O=C(NNC(=O)c1nccn2c(Br)cnc12)N[C@@H]1CCS(=O)(=O)C1 1341585101 AGVCBALYBHIAEE-SSDOTTSWSA-N 417.245 -0.377 50 20 HBGD CN1CCC[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)C1 1783934444 HXCMKJJYDGWZEO-UZLBHIALSA-N 409.531 -0.469 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)C3CCC(O)CC3)C2)C1 1784140594 CMVFDNHJTWMYJF-IAYYMHMVSA-N 416.283 -0.639 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CC3(F)F)C[C@@H]21)c1ccc(B(O)O)cc1 1786979658 ICWUJBQDRVDRHB-HNKHHVNMSA-N 408.210 -0.385 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccn(C)c3)C[C@@H]21 1791288726 QQOQKEDKPGHZKC-ULQDDVLXSA-N 405.499 -0.009 50 20 HBGD CCC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1793446726 LHBJWLIALBEMGS-FSDCSDTHSA-N 408.691 -0.023 50 20 HBGD O=C(Cn1cncn1)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1817609375 BEGRGXKHHNZVCF-MRXNPFEDSA-N 423.242 -0.313 50 20 HBGD NC(=O)c1ncccc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1833309673 MJOPKUUGKFZYGU-SUMWQHHRSA-N 414.821 -0.215 50 20 HBGD Cn1ncnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1833839353 SAXHIDRHPDMWFS-OAHLLOKOSA-N 416.276 -0.330 50 20 HBGD CC(C)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935753 PLALXTLWIXXWFY-FQEVSTJZSA-N 404.272 -0.518 50 20 HBGD COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)ccn1 1837973918 LMZXJUOBNAOUQV-KSSFIOAISA-N 413.858 -0.240 50 20 HBGD Cc1nn[nH]c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840032349 VXGDRGMSLAIKKZ-BMIGLBTASA-N 416.276 -0.033 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3nc(C)no3)C2)C1 1840151836 ORDRFIDUFXWFGS-DYVFJYSZSA-N 416.862 -0.369 50 20 HBGD O=C(NCCC(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1)c1ccc[nH]1 1843010713 UNMCHNWDNJINQN-UHFFFAOYSA-N 424.266 -0.668 50 20 HBGD Cc1nnc(NNC(=O)CCc2nc(=O)c3cnn(-c4ccccc4)c3[nH]2)[nH]c1=O 11548245 QHCNJDFHHQGZLR-UHFFFAOYSA-N 407.394 -0.029 50 20 HBGD CN(C)N(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 728179612 MVSCLPKESGHEQU-ZDUSSCGKSA-N 400.482 -0.671 50 20 HBGD CN(C)S(=O)(=O)c1cc(C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)co1 755898858 VZGGGNQJNXMENA-UHFFFAOYSA-N 419.460 -0.001 50 20 HBGD C[C@H]1CN(C(=O)Cn2cc(NC(=O)NNC(=O)c3cnn(C)c3)cn2)C[C@H](C)O1 756839035 PQQWGJHRQKNQPD-RYUDHWBXSA-N 404.431 -0.281 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)cc1C 761687380 NKCBJVXRGKILHR-UHFFFAOYSA-N 417.447 -0.113 50 20 HBGD Cc1cnc(-c2cccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c2)o1 764226316 HSRNDUQIPJGJGO-JTQLQIEISA-N 409.424 -0.326 50 20 HBGD CCCCOc1ccccc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 764227009 LPIAMERLIYQSQY-NSHDSACASA-N 400.457 -0.111 50 20 HBGD C[C@@H]1CN(c2ccccc2NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)C[C@@H](C)O1 764425428 PRKADYTZCBCDPO-IOASZLSFSA-N 406.439 -0.199 50 20 HBGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 764433956 PBUVBYRXEOBZJK-JTQLQIEISA-N 404.282 -0.303 50 20 HBGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)CCN1C(=O)NC(C)(C)C1=O 767272318 HPAHRBKAMMBMMO-UHFFFAOYSA-N 404.423 -0.051 50 20 HBGD COc1cccc(S(C)(=O)=O)c1NNC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 768646004 WPVOSOHMPJYZSB-IDMWTJEOSA-N 423.447 -0.296 50 20 HBGD COc1ccc(Cn2cc(NC(=O)C(=O)NNC(=O)[C@@H]3COCCO3)cn2)cc1 793030142 CYPUBMNLAGKUDL-HNNXBMFYSA-N 403.395 -0.559 50 20 HBGD CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NNC(=O)N1CCN(C)CC1 807382520 FMJSYTWRSGUXON-AWEZNQCLSA-N 414.507 -0.360 50 20 HBGD N#Cc1cccc(C(=O)NNC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)c1 812980752 YQYIOKHSBZTMJH-UHFFFAOYSA-N 420.429 -0.110 50 20 HBGD COC(=O)c1ccc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)n1C 815401054 KCIHICVQWBCWRV-OAHLLOKOSA-N 417.374 -0.044 50 20 HBGD CNC(=O)Oc1cccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)c1 815593821 YNJNTWFLVUJVFS-UHFFFAOYSA-N 419.419 -0.018 50 20 HBGD CCn1nc(C(=O)NNC(=O)c2ccnc(S(C)(=O)=O)n2)c2ccccc2c1=O 816806193 VHYYGLQFKFRTLK-UHFFFAOYSA-N 416.419 -0.315 50 20 HBGD O=C(NNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)c1cc(Cl)ccc1O 914831372 XNARTMVCIGSDQW-ONGXEEELSA-N 415.855 -0.158 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)Cc3ccccn3)CCO2)C1 1779030075 GRSUBWIKBPGKFI-OAQYLSRUSA-N 424.461 -0.234 50 20 HBGD CC[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1783344016 XRFVPFLVAAIUBE-MLGOLLRUSA-N 416.320 -0.170 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3[C@H]4COC[C@H]43)[C@H]2C1 1791840614 VMFLDBNTIYVAQO-PTRNUJBVSA-N 408.499 -0.769 50 20 HBGD O=C1CN(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCBr)C(=O)N1 1795490964 DOPOCEAMBVAPJB-JGPRNRPPSA-N 401.261 -0.039 50 20 HBGD CN1CCC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)C1 1799120130 DAVPPIFAHASYED-OAFZBRQQSA-N 409.531 -0.709 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCC2(CCCN(C(=O)[C@H]3CCC(=O)N3)C2)CC1 1809469023 NKCMYARTABDFNH-OAHLLOKOSA-N 407.515 -0.131 50 20 HBGD CN(C)CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1812870854 DQHRIEIMCCAXLX-CYBMUJFWSA-N 402.285 -0.390 50 20 HBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1nc[nH]n1)CC2 1826085525 YNUVNFQRXNDHIA-SECBINFHSA-N 406.472 -0.140 50 20 HBGD CN1CC(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CCC(=O)NN(C)C)CC3)C1 1827275801 DJCMEQFHNCUFOJ-LBPRGKRZSA-N 408.528 -0.010 50 20 HBGD CC(C)N1CCC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830738793 SZRQKTGBHVSACE-FCEWJHQRSA-N 417.934 -0.085 50 20 HBGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CNC(=O)O3)CCO2)C1 1831576660 VFTCDHCHTFVGID-JRPNMDOOSA-N 420.260 -0.665 50 20 HBGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1)N1C[C@@H]2C[C@H]2C1 1837279096 NIYOOMHEEFRCKE-LAIHZFQQSA-N 415.918 -0.617 50 20 HBGD COc1cnc(C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)cn1 1842551515 GGQXOMBTFHNUPG-UHFFFAOYSA-N 411.422 -0.386 50 20 HBGD Cc1cc(C(=O)NNc2nc3ccccc3c(=O)n2C)nc2c1c(=O)n(C)c(=O)n2C 737855264 SCUGLMUHXQDYKS-UHFFFAOYSA-N 421.417 -0.056 50 20 HBGD CC(C)(C)OC(=O)N1CC(OCC(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)C1 748528440 GUSSQPQDIUJOIP-JTQLQIEISA-N 406.461 -0.860 50 20 HBGD CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1Cl 748642873 OERNORTVCLXHFZ-ZETCQYMHSA-N 412.877 -0.454 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2cc(F)ccc2F)n(C)c1=O 755365186 UONDSPDBMATWNG-UHFFFAOYSA-N 407.337 -0.435 50 20 HBGD CCn1nc(C)c(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1C 757871323 JJFYNTUXZRZWTI-UHFFFAOYSA-N 417.430 -0.880 50 20 HBGD NC(=O)[C@H]1CC(C(=O)NNC(=O)C(=O)Nc2ccccn2)=NN1c1ccc(F)cc1 758833021 CWJSDJDWTOTCQU-CYBMUJFWSA-N 413.369 -0.573 50 20 HBGD CC(C)C[C@@H](C)n1nccc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 764227635 OSNLLSWLHTWFOK-MNOVXSKESA-N 402.477 -0.486 50 20 HBGD CN(C)C(=O)Cn1cc(NC(=O)C(=O)NNC(=O)C(F)(F)Oc2ccccc2)cn1 764379818 LLFMJCKXRGFJSU-UHFFFAOYSA-N 424.364 -0.271 50 20 HBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNS(=O)(=O)C[C@@H]1CCCCO1 765119144 QYZKVLIDRLNMCF-KRWDZBQOSA-N 424.523 -0.036 50 20 HBGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)CN3CCC(=O)NC3=O)CC2)cc1 766650482 USHVPRVIFMYWDJ-UHFFFAOYSA-N 416.482 -0.798 50 20 HBGD CCn1c(=O)oc2cc(S(=O)(=O)NNC(=O)CNC(=O)c3ccco3)ccc21 767457398 NWOLMVRXRACTLV-UHFFFAOYSA-N 408.392 -0.053 50 20 HBGD O=C(COC(=O)[C@H]1CCCCS1(=O)=O)NNC(=O)[C@@H]1COc2ccccc2O1 772417192 URGSMBSAVQIFAO-UONOGXRCSA-N 412.420 -0.516 50 20 HBGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)C(=O)Nc1cnn(CC(N)=O)c1 774011295 XTSAUUBVDBEEMU-VIFPVBQESA-N 408.802 -0.425 50 20 HBGD COc1ccc(N2CCN(C(=O)/C=C\C(=O)NNC(=O)N3CCOCC3)CC2)cc1 778253488 PHVCMXXTUFFXBU-SREVYHEPSA-N 417.466 -0.027 50 20 HBGD CCn1nc(C(=O)NNC(=O)[C@@H](NC(=O)C2CC2)[C@@H](C)O)c2ccccc2c1=O 779490903 GQVQYTMGBHGWNU-YGRLFVJLSA-N 401.423 -0.547 50 20 HBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cc(C(=O)N2CCN(C)CC2)ccc1OC 784916676 SENUNPKNIZWHJF-UHFFFAOYSA-N 420.470 -0.286 50 20 HBGD Cn1cnc(S(=O)(=O)NCC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)c1 809985967 XQTVVTAGRHMKEP-UHFFFAOYSA-N 419.423 -0.949 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cc(C(N)=O)ccc1OCC(F)F 810341767 QOTGEZYYKVNUSZ-ZETCQYMHSA-N 423.398 -0.480 50 20 HBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CCN1CCCS1(=O)=O 918204183 WFBBFCUUPIMZOK-UHFFFAOYSA-N 417.513 -0.525 50 20 HBGD Cc1ccccc1CC(=O)NNC(=O)CN1CCN([C@H]2CCS(=O)(=O)C2)CC1 1319873770 TUMKKQFUWRRRHD-KRWDZBQOSA-N 408.524 -0.510 50 20 HBGD COCCO[C@H]1COCC[C@H]1NC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 1320566264 IGFVKOVIXVFGMA-CABCVRRESA-N 419.438 -0.302 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCN(C)CC3)C2)C1 1778264246 SZHIEFHULCGJPJ-CRAIPNDOSA-N 402.923 -0.683 50 20 HBGD Cc1cnoc1C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1779937169 WKONTHVQJSNFTD-LJQANCHMSA-N 414.422 -0.261 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1cnn(C)c1)CCO2 1783938135 VIQHCXQZTSFAEX-LJQANCHMSA-N 406.487 -0.835 50 20 HBGD CC(C)(C)OC(=O)NC[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Cl)C2 1792887958 NHHDGZNYEABLCV-PPCPHDFISA-N 423.869 -0.004 50 20 HBGD O=C(Cn1cccc([N+](=O)[O-])c1=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)CCl 1793112338 DWHOWRVTYUMKNU-OPDFLTKYSA-N 412.830 -0.006 50 20 HBGD N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)c1 1798693846 XLNDKPZKJYHOFZ-FVCICTRLSA-N 423.433 -0.598 50 20 HBGD CSCC[C@@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1802360905 MFDIJJOHBQKJSG-YYIAUSFCSA-N 406.313 -0.268 50 20 HBGD O=C(NC[C@H]1CCN(C(=O)c2ncon2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807360741 LWWMNTWUBVAERA-NVXWUHKLSA-N 421.222 -0.222 50 20 HBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)c1nc[nH]n1 1817758164 RDKSVLVJQWWEKP-AWEZNQCLSA-N 409.215 -0.173 50 20 HBGD CC(=O)N[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826089726 MLEURFVTJVBUCY-PWSUYJOCSA-N 424.527 -0.047 50 20 HBGD O=C([C@H](O)CCl)N1CCC(OC2CCN(C(=O)[C@@H]3C[C@H](O)CN3)CC2)CC1 1836718425 YPYJAGSNEDXPCS-VBNZEHGJSA-N 403.907 -0.693 50 20 HBGD CSCC[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840195421 ZFGIVPKJUJWKGZ-XEZPLFJOSA-N 410.920 -0.844 50 20 HBGD C[C@H](CBr)C(=O)N1CCCC12CN(C(=O)CN(CCO)CCO)C2 1841289035 GOVZXFGJEQLURP-CYBMUJFWSA-N 406.321 -0.493 50 20 HBGD O=C(Cn1nnc2ccccc21)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013155 OJRGFFIJHZRJGP-UHFFFAOYSA-N 419.250 -0.372 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1844264201 SGVBGSKUHSZULD-UHFFFAOYSA-N 414.382 -0.553 50 20 HBGD O=C(CSc1nnc(O)[nH]c1=O)N/N=C1\C(=O)Nc2cc3c(cc21)OCCCO3 18883982 LBSOIEUPXNSVEE-UHFFFAOYSA-N 418.391 -0.404 50 20 HBGD C[C@H](NC(=S)NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1cccs1 726451152 YDLHTYNQWKQBCF-QMMMGPOBSA-N 414.538 -0.111 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1 729275975 ULWSZNRMBNMCBZ-JTQLQIEISA-N 420.513 -0.538 50 20 HBGD COc1ccc(C(=O)NNC(=O)CN2CCS(=O)(=O)CC2)cc1Br 732036002 QHFAILHGSNBEMD-UHFFFAOYSA-N 420.285 -0.051 50 20 HBGD O=C(COC(=O)C1CCS(=O)(=O)CC1)NNC(=O)[C@@H]1COc2ccccc2O1 733028180 QMLGEKUETCRBOM-AWEZNQCLSA-N 412.420 -0.658 50 20 HBGD CS(=O)(=O)N(CC(F)(F)F)C1CCN(CC(=O)NNC(=O)C2CC2)CC1 733199084 MCVQRAQQPIWTDC-UHFFFAOYSA-N 400.423 -0.168 50 20 HBGD CC(C)S(=O)(=O)CC(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 735118885 ZJQKSCNSFHNOSL-UHFFFAOYSA-N 419.529 -0.716 50 20 HBGD C[C@H](CNC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1)CN1CCN(C)CC1 745862653 LQEXCPCMWKJEFL-CQSZACIVSA-N 401.475 -0.510 50 20 HBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)Nc1ccccc1C(=O)N1CCOCC1 755623485 PIPWIJBQVJQFEV-GFCCVEGCSA-N 410.452 -0.254 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2cccc3[nH]ccc23)n(C)c1=O 756300107 IHEWWULGDLZGIY-UHFFFAOYSA-N 410.394 -0.232 50 20 HBGD CNC(=O)CCOc1ccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1 756457014 GUPWZHTWYRKENT-SNVBAGLBSA-N 401.445 -0.708 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CC(=O)N(c2c(F)cccc2F)C1 758024296 BYERYKMBZIAODY-IUCAKERBSA-N 404.395 -0.597 50 20 HBGD CS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cn1 763570653 HIPNYADSTWFIQK-CYBMUJFWSA-N 420.403 -0.589 50 20 HBGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)c3nccnc3C(N)=O)CC2)cc1 766643130 UBZOXBAGRMLZLR-UHFFFAOYSA-N 411.466 -0.537 50 20 HBGD CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)O1 774658152 GFIRMUYVCAJMBJ-UONOGXRCSA-N 402.415 -0.758 50 20 HBGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)NCC(=O)N1CCOCC1 776637222 GOTYRMXLBFTMNQ-UHFFFAOYSA-N 418.498 -0.612 50 20 HBGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1cc(C(=O)O)c(C)nc1C 776724022 JRWFEQXBNTUNRA-UHFFFAOYSA-N 420.451 -0.178 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)N1CC[C@H](C(=O)NCC(F)(F)F)C1 777498338 LAUFIFJGBUBSCQ-VIFPVBQESA-N 405.333 -0.249 50 20 HBGD CNC(=O)NNC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 781934261 XJSYPTPINGSVDP-GFCCVEGCSA-N 400.457 -0.087 50 20 HBGD COc1nc(Br)ccc1NC(=O)C(=O)NNC(=O)[C@H]1COCCO1 789587057 VLTIBTATHUTOHY-MRVPVSSYSA-N 403.189 -0.646 50 20 HBGD CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)NNC(=O)COc2ccccc2C#N)C1 807579459 OOGBYFFXSDZKEZ-CQSZACIVSA-N 424.483 -0.462 50 20 HBGD Cn1c(Cl)nc(Cl)c1C=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 814877350 NDNREUAJRSIPOQ-UHFFFAOYSA-N 413.225 -0.376 50 20 HBGD CN1CCN(C(=O)c2ccc(CNC(=O)NN[C@]3(C)CCS(=O)(=O)C3)cc2)CC1 916389919 CXWLMKAUSOHPAH-LJQANCHMSA-N 423.539 -0.045 50 20 HBGD O=C(CN1CCCC1=O)NNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 920827940 ZSUFIAMOSONNNK-OAHLLOKOSA-N 408.480 0.000 50 20 HBGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)c1ccc(CN2C(=O)CNC2=O)cc1 921160784 HGMDJYCSPMAAOM-UHFFFAOYSA-N 420.389 -0.211 50 20 HBGD Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NNc2nccn(C)c2=O)CC1 1322295806 DXGNGFBIXGVKHI-UHFFFAOYSA-N 410.456 -0.071 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CC1(F)F)CCO2 1779031785 FTRVBXDEYPPHFR-DYVFJYSZSA-N 409.393 -0.216 50 20 HBGD C[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1783540406 WAUBCZWDKMPIJD-WBMJQRKESA-N 419.320 -0.027 50 20 HBGD Cn1cccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1785891156 KRYLWYXTWFTMRB-IEZWGBDMSA-N 411.267 -0.388 50 20 HBGD C[Si](C)(C)OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CS(C)(=O)=O)[C@H]2C1 1786647558 OURYJIHQBAXWPT-IHRRRGAJSA-N 406.577 -0.138 50 20 HBGD CC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21 1789858983 UKSAYIXBYQYDQA-CYDGBPFRSA-N 400.863 -0.465 50 20 HBGD C[C@H](NC(=O)c1cnccn1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](O)CCl)C2 1798549497 JHZZIOKWOILHTG-DKBOKBLXSA-N 409.874 -0.167 50 20 HBGD O=C(CN1C(=O)C=CC1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2 1801118494 SSQLTUILPAEWEW-CULMDFNYSA-N 414.256 -0.714 50 20 HBGD O=C(c1ccc(CO)o1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837964326 CHIPJJPAFJADBW-SUMWQHHRSA-N 402.831 -0.558 50 20 HBGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(O)[nH]1)CCO2 1838064777 TUYZDVLXAGRSOT-OAHLLOKOSA-N 417.260 -0.030 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3nc(C)no3)C2)C1 1840151838 ORDRFIDUFXWFGS-SUMWQHHRSA-N 416.862 -0.369 50 20 HBGD O=C(/C=C/c1cnccn1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840484414 PGRJPYZNGLRRHD-CYFVHWSXSA-N 410.858 -0.454 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CCCCNC(N)=O)cc2)CC1 728213212 GPOROHNHMWENDH-UHFFFAOYSA-N 412.516 -0.096 50 20 HBGD CCOc1ccccc1N1C[C@@H](C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)CC1=O 729276487 GMFIVCAEZRMTEV-RYUDHWBXSA-N 412.468 -0.477 50 20 HBGD COCCn1c(C)cc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)c1C 730569338 VNXOPAILYNZRET-UHFFFAOYSA-N 408.484 -0.214 50 20 HBGD Cc1nc2ccccn2c1C(=O)NNC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 742489547 SKFCVASERHHCRN-CZPYZCIJSA-N 411.418 -0.044 50 20 HBGD Cc1ccc(F)c(NC(=S)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 745204610 BGQCMHTVFMVSPC-UHFFFAOYSA-N 419.442 -0.101 50 20 HBGD O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)Cc1cn2ccccc2n1 746553034 CYTLLRXQHDIDRG-OSLDLMBLSA-N 411.418 -0.423 50 20 HBGD CC(=O)[C@@H]1C[C@H](CC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1(C)C 759954858 ISAMHTBUXNWWIY-NEPJUHHUSA-N 418.454 -0.778 50 20 HBGD Cn1cc(C(=O)NNC(=O)[C@@H](CCC(N)=O)NC(=O)OCc2ccccc2)cn1 760154850 YBPVCIYELPZEHW-CQSZACIVSA-N 402.411 -0.258 50 20 HBGD CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NNC(=O)CN2CCCS2(=O)=O)C1 773410346 ARGDIIMAVYLSCO-LBPRGKRZSA-N 404.489 -0.184 50 20 HBGD Cn1cnn(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c1=O 778521930 MGQUSVBKFHUCOR-UHFFFAOYSA-N 422.467 -0.782 50 20 HBGD CN(C)S(=O)(=O)c1cc(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)n(C)c1 778540580 UEROWUXQFYQMSC-UHFFFAOYSA-N 418.439 -0.674 50 20 HBGD O=C(NNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1)c1ccccn1 780145134 JVSXYRKBYHFXHZ-DOMZBBRYSA-N 408.411 -0.194 50 20 HBGD COCCNS(=O)(=O)c1ccc(C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)cc1 816873775 OOHKHKGCZRHPOC-CYBMUJFWSA-N 422.467 -0.774 50 20 HBGD NS(=O)(=O)c1ccc(N2CCN(CC(=O)NNC(=O)c3cccs3)CC2)cc1 917109050 FRBDWMZCPHLTQY-UHFFFAOYSA-N 423.520 -0.021 50 20 HBGD Cc1ocnc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779032858 YSGDDEFTYNTDFT-IBGZPJMESA-N 414.422 -0.261 50 20 HBGD Cn1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)cn1 1786032846 DTECFCKCLNGQQK-WBAXXEDZSA-N 412.255 -0.993 50 20 HBGD O=C(Cn1nccn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1789972155 VKULPVNKUGYKQR-ZPFDUUQYSA-N 404.240 -0.052 50 20 HBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NN(C)C(=O)CC1 1793787334 IXIPYQJRQGHHQS-OXIQGZBJSA-N 400.863 -0.562 50 20 HBGD Cn1cccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1794606773 OWBUVLZRWFBJRR-FVCICTRLSA-N 412.450 -0.459 50 20 HBGD O=C(CN1CCOCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2 1795439645 DNQDQYSESUZXAT-YWVIFJGQSA-N 404.305 -0.307 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=COCCC1)C2)c1ccc(B(O)O)cc1 1795736936 RMDJNYRLEIRBRV-ALXJQNPVSA-N 400.240 -0.736 50 20 HBGD Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)n1 1797749778 RKHMAMALQIYCHM-ZSBFGKGUSA-N 424.461 -0.094 50 20 HBGD COC[C@@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Br 1799350124 QXHNUHGKKUQPCN-NZEXEKPDSA-N 424.267 -0.582 50 20 HBGD NC(=O)[C@H](N)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](O)CCl)[nH]n1 1817352412 IPISHALOAQJNBJ-JLLWLGSASA-N 400.867 -0.406 50 20 HBGD CCc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)n(C)n1 1830733062 ZZPZESFXHBTHHS-MAUKXSAKSA-N 414.890 -0.348 50 20 HBGD Cn1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)n1 1834818864 FCSNSCGRUMJKCD-HNNXBMFYSA-N 416.276 -0.330 50 20 HBGD Cc1noc(N)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1835621409 FNYGFXHRTOISPA-MEDUHNTESA-N 402.835 -0.765 50 20 HBGD CCn1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cc1C 1838146640 WOAFWKQSRHSIDP-QAPCUYQASA-N 414.890 -0.119 50 20 HBGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CNC(=O)C1)CCO2 1839868010 RBGSICVPVMZUPQ-DEYYWGMASA-N 401.891 -0.014 50 20 HBGD O=C([C@H](O)CCl)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H](O)CC1)CCO2 1840269123 ONBILFQQUYAKRP-ATNYBXOESA-N 404.891 -0.406 50 20 HBGD Cn1ncc(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)c1Cl 1844589603 UOMBAOUWVVGTMZ-UHFFFAOYSA-N 402.647 -0.116 50 20 HBGD Cn1cc(S(N)(=O)=O)cc1C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1 26265215 ODAZOFPLGQWMJJ-UHFFFAOYSA-N 414.827 -0.056 50 20 HBGD CCCOC(=O)c1ccc(S(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 727795704 VLXHUKZELLBJQS-GFCCVEGCSA-N 404.466 -0.002 50 20 HBGD CCOC(=O)C1CCN(S(=O)(=O)NNC(=O)COc2ccccc2O)CC1 730813808 MWWREGAHYZJQJU-UHFFFAOYSA-N 401.441 -0.088 50 20 HBGD C[C@H]1CN(CCC(=O)NNC(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)C[C@H](C)O1 732262085 QXCAZUXCQBEAMW-RYUDHWBXSA-N 401.489 -0.475 50 20 HBGD CCOCC(=O)NNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 732915073 YUILIKFVALTNIC-CQSZACIVSA-N 407.475 -0.351 50 20 HBGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)c1ccc(S(N)(=O)=O)cc1 734262455 JGDPTRWORXTVSL-UHFFFAOYSA-N 401.445 -0.197 50 20 HBGD C[C@H](C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 746090691 LSIZTDJYOGEXHD-OJGWYHNPSA-N 402.363 -0.093 50 20 HBGD CCCCCn1nc(C)cc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 764226427 ILZSKOMFJNMLEW-NSHDSACASA-N 402.477 -0.595 50 20 HBGD CCOCCCn1c(NNC(=O)C[C@@H]2NC(=O)NC2=O)nc2ccccc2c1=O 764237479 MWXBRAFMTDNTNU-ZDUSSCGKSA-N 402.411 -0.136 50 20 HBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(N2CCN(C)CC2)cc1OCC 764326353 GDPIDYPNUFOIQD-UHFFFAOYSA-N 407.471 -0.041 50 20 HBGD CCCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)cc1 764425691 QWHNMOKUCDBVQA-CYBMUJFWSA-N 414.440 -0.660 50 20 HBGD Cn1ncc2c(O)nc(NNC(=O)CN3C(=O)N[C@]4(CCc5ccccc54)C3=O)nc21 770971106 HCMYBUUXYIGTKW-IBGZPJMESA-N 422.405 -0.095 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NN(C)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 776204357 CNFHRIRLVDHIQH-LLVKDONJSA-N 407.493 -0.440 50 20 HBGD CCOC(=O)CON=C(C(=O)NNC(=O)[C@@H]1COc2ccccc2O1)c1cc[nH]n1 789942010 PBWJQYLZGORPKK-AWEZNQCLSA-N 417.378 -0.319 50 20 HBGD C[C@H]1CN(CCC(=O)NNC(=O)CNS(=O)(=O)c2cccs2)C[C@@H](C)O1 809981865 ZFVMGWJERNYVPO-TXEJJXNPSA-N 404.514 -0.327 50 20 HBGD O=C(CN1CCCC1=O)NNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 920433974 OATADEFZBIUGKQ-CQSZACIVSA-N 424.479 -0.473 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCN(C)CC3)CCO2)C1 1783873990 AYUSCWKCRAOUDA-MAUKXSAKSA-N 402.923 -0.683 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCCS1(=O)=O)CCO2 1783880785 GWDCWRHGFLYIDK-HEHGZKQESA-N 408.904 -0.353 50 20 HBGD Cn1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)n1 1786083062 SECCEMYERDISGT-ZVZYQTTQSA-N 412.255 -0.993 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cscn1 1794795706 KHHFBKWOTIQOKW-YWVIFJGQSA-N 401.253 -0.660 50 20 HBGD O=C(CCC(F)(F)F)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1795400316 XPBZSPLULQQSDM-YWVIFJGQSA-N 414.189 -0.088 50 20 HBGD CCOC(=O)N[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)Br)C2 1797588698 VSCFMUXEFJBZQE-HMUNZLOLSA-N 422.276 -0.576 50 20 HBGD CC[S@](=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1798288231 VOCJMMJTLWCHFJ-FSFWTGJDSA-N 406.313 -0.223 50 20 HBGD CC(=O)NCC(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813074506 SNTQFWUGEBQLOQ-OXJNMPFZSA-N 418.498 -0.404 50 20 HBGD C[C@H](CN)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cnccc1C(=O)NN)CC2 1814750601 IFYPMELZZMWEMV-NXEZZACHSA-N 417.495 -0.038 50 20 HBGD C[C@H](NC=O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1830327087 PFOHEFPTURWMCT-KXBFYZLASA-N 415.299 -0.266 50 20 HBGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnnn3C)CCO2)C1 1833236783 UHSCOWKICJOCQI-IAQYHMDHSA-N 416.276 -0.332 50 20 HBGD COc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cn1 1834524870 AVIXWUHKZOLAFV-DYVFJYSZSA-N 414.846 -0.845 50 20 HBGD N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837457964 YVEXRPQMEWUAIE-IBGZPJMESA-N 416.438 -0.941 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(CO)on3)CCO2)C1 1838805939 PCUHHOGIKOLCQK-SUMWQHHRSA-N 417.846 -0.509 50 20 HBGD O=C1CC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H](F)Br)CCO3)C2)N1 1839199292 LWKDVFZZFTXQIZ-IXPVHAAZSA-N 422.251 -0.588 50 20 HBGD CCOCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCC(=O)NN(C)C)CCO2 1840185588 SMUHPUZJTWDCQG-LJQANCHMSA-N 414.503 -0.758 50 20 HBGD O=C(C1CCC(O)CC1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840273193 ONBILFQQUYAKRP-GULCKSEBSA-N 404.891 -0.406 50 20 HBGD O=C(CCN1CCOC1=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011231 HGDRCYIOOZWXHC-UHFFFAOYSA-N 401.228 -0.974 50 20 HBGD Cc1c(/C=C(\C#N)C(=O)N[C@@H](C)C(=O)N2CCS(=O)(=O)CC2)cc(C#N)n1C 731476445 CPXFEWNZPANCOI-AAWHYMEISA-N 403.464 -0.126 50 20 HBGD NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)N1CCOCC1 746519567 KDPLJTUMQBIFAE-AWEZNQCLSA-N 407.427 -0.380 50 20 HBGD C[C@H]1CN(C(=O)c2ccc(NC(=O)C(=O)NNC(=O)CN(C)C)cc2)C[C@H](C)O1 764203325 HKRCHXROKSLRDY-STQMWFEESA-N 405.455 -0.417 50 20 HBGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1OC(C)C 764226624 JOGDPYJSQMXEQR-JTQLQIEISA-N 416.456 -0.494 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(Br)cc1 764228616 ZFTVVMGPUGGVQQ-SSDOTTSWSA-N 407.246 -0.527 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NNC(=O)C1CCC1 764338226 DACBBAHCQJYXTF-UHFFFAOYSA-N 424.479 -0.098 50 20 HBGD CC(C)n1ccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)n1 797681628 POGLWEJKYNGRCA-UHFFFAOYSA-N 403.403 -0.936 50 20 HBGD C[C@H](Cn1cccn1)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783936495 OJVOTCSYGPUPRJ-OXQOHEQNSA-N 420.514 -0.278 50 20 HBGD Cc1nccn1[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783937712 NLKOVFSFJIVNOF-FOIQADDNSA-N 420.514 -0.045 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)COc1cccnn1)CCO2 1783938052 QYARLAYHPYRBTJ-IBGZPJMESA-N 420.470 -0.942 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3csc(N)n3)[C@H]2C1 1786913876 QGNADKSDQYPYDV-OBJOEFQTSA-N 424.527 -0.308 50 20 HBGD O=C1CC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](F)Br)C[C@@H]32)=NN1 1788557067 FLMMNWFGWNVNIW-PRLGWJNPSA-N 405.224 -0.468 50 20 HBGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cnnn1)C2 1792868502 ZLUBRVMXGHMGLS-HNCHTBHHSA-N 401.265 -0.706 50 20 HBGD CC[C@H](C)[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1793395883 SQIPJDPTPPBWQA-LVSLPLRBSA-N 419.482 -0.705 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(O)cc1 1798950144 VXCHCPQPFBXIQQ-CCWDJLKJSA-N 404.467 -0.032 50 20 HBGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cnnn1)C2 1800640029 TXMHIGOVMVAJBE-NOHGZBONSA-N 401.265 -0.564 50 20 HBGD CC[C@H](NC(N)=O)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833310735 QRXMXHJTFXGFFU-GJZGRUSLSA-N 417.938 -0.395 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn(C)c3)CCO2)C1 1834176342 LPMYMFAINPEYRA-RHSMWYFYSA-N 400.863 -0.256 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)C1CCC1)CCO2 1834633233 JPZYDKGSDHQJTH-HXUWFJFHSA-N 402.256 -0.764 50 20 HBGD COCCC(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834801264 WZIAIDCWOKOHEX-UHFFFAOYSA-N 417.315 -0.412 50 20 HBGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1836139773 VKWKTSZXBZVFDV-IUODEOHRSA-N 416.276 -0.482 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(C)=O)C2)C1 1840155802 ICRUVDJURBCSHG-HACGYAERSA-N 405.879 -0.779 50 20 HBGD O=C(Cn1ccncc1=O)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840189968 VUJTXLZUMNTRDP-MRXNPFEDSA-N 419.265 -0.497 50 20 HBGD COCc1oncc1C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844264180 PTVSKOVRWAANCA-UHFFFAOYSA-N 414.422 -0.050 50 20 HBGD CCOC(=O)O[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1845787854 NYRDFWWOVKTTFX-ZDUSSCGKSA-N 404.228 -0.255 50 20 HBGD CCc1nc2ccccc2n1CC(=O)NNC(=O)[C@H]1CCCN1C(=O)CNC(C)=O 728512114 LEQICHYNMCYMFW-MRXNPFEDSA-N 414.466 -0.127 50 20 HBGD COc1ccc(CCC(=O)NNC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cc1 743320165 LQFDBSOMRGCXBH-DTTOXWODSA-N 401.419 -0.062 50 20 HBGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)Cn2nnc3ccccc3c2=O)c1 744526863 VVTVSMHZHIOQJH-UHFFFAOYSA-N 406.358 -0.332 50 20 HBGD O=C(CCN1C(=O)CCC1=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 744620436 FIIRYJZMDHIBOK-UHFFFAOYSA-N 410.452 -0.310 50 20 HBGD CCOc1ccccc1C(=O)NCCCC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 758051940 HTJOZYTYURUOEO-LBPRGKRZSA-N 414.484 -0.320 50 20 HBGD COc1ncnc(N(C)C)c1NC(=O)C(=O)NNC(=O)COc1ccccc1F 763680225 SREWXUOXHYDZDH-UHFFFAOYSA-N 406.374 -0.145 50 20 HBGD O=C(NNC(=O)C1CCC1)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 764334327 DDCLLHMJZNZMGO-MRXNPFEDSA-N 416.434 -0.413 50 20 HBGD O=C(COC[C@H]1CCCO1)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766644259 TVMBBHLPMWTCHW-QGZVFWFLSA-N 404.467 -0.213 50 20 HBGD C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 792854370 JPPYDUKWIVZGNW-JSGCOSHPSA-N 414.509 -0.283 50 20 HBGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c(F)c1 794582226 UXEPBDVZTXRYKB-SECBINFHSA-N 409.417 -0.708 50 20 HBGD Cc1ccccc1-n1cc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)nn1 807960907 TUMJVEINOYBZQO-UHFFFAOYSA-N 414.451 -0.389 50 20 HBGD Cn1nc(C(=O)NNC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c2ccccc2c1=O 814729775 DBWHRHNXRKZOBJ-OKILXGFUSA-N 409.402 -0.354 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CC[C@]2(CN(C(=O)CN3CC(=O)NC3=O)CCO2)C1 1781223958 GGYNFUZGDVPYEE-HOTGVXAUSA-N 421.281 -0.396 50 20 HBGD CS(=O)(=O)CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781328119 ISTGGXPWVDBCMB-JQWIXIFHSA-N 401.254 -0.449 50 20 HBGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1)n1ccccc1=O 1784091145 KIUGQCDQYAYUGM-YXMSTPNBSA-N 411.886 -0.011 50 20 HBGD O=C(CC1(O)CCC1)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1784823978 JYMYWCDBVDTEEV-FQEVSTJZSA-N 402.256 -0.885 50 20 HBGD CC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNCP(=O)(O)O)C[C@@H]21 1789860927 FVZTUAGHMBPCLG-CYDGBPFRSA-N 411.823 -0.292 50 20 HBGD Cn1cc(F)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795734063 ADWIDKHQXDKWAJ-ZSBFGKGUSA-N 415.230 -0.639 50 20 HBGD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)cn1C 1801011532 RXQKFNKHVMMBOS-HGKCTWBKSA-N 405.499 -0.090 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CSc1nc[nH]n1)c1ccc(B(O)O)cc1 1802859351 QFBAYIAPJZXNOP-QDMKHBRRSA-N 415.284 -0.471 50 20 HBGD COc1ccnc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1 1837950443 HQEQWCZAOUYQIX-CRAIPNDOSA-N 413.858 -0.240 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CS(=O)(=O)CC)C2)C1 1839142585 SWTRBYSDDIQBET-XJKSGUPXSA-N 410.920 -0.105 50 20 HBGD O=C(COc1ccc(O)nn1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1839669051 FLGCEVAWNODNQQ-GDBMZVCRSA-N 418.809 -0.448 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCn3cncn3)C2)C1 1840155402 AQOPJYBQAPOYGJ-YOEHRIQHSA-N 415.878 -0.622 50 20 HBGD O=C(c1cnc(OCF)cn1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013400 FGSIKJYCPLUCRQ-UHFFFAOYSA-N 414.202 -0.407 50 20 HBGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)Cn1ccc(=O)[nH]c1=O 18580144 AXJLEDBNTOPHJJ-UHFFFAOYSA-N 410.770 -0.797 50 20 HBGD O=C(NNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1)C(=O)N1CCCC1 749223751 KUYFCDVVYXLWSJ-LLVKDONJSA-N 400.482 -0.329 50 20 HBGD COc1ccc(C(=O)NNC(=O)CN2CCN(c3cnn(C)c3)C(=O)C2)cc1OC 750057606 RDOLCSMRAYYWGL-UHFFFAOYSA-N 416.438 -0.453 50 20 HBGD Cn1nc(C(=O)NNC(=O)c2ccc(CNS(C)(=O)=O)o2)c2ccccc2c1=O 753563467 NQTQXJWJDHNBMC-UHFFFAOYSA-N 419.419 -0.350 50 20 HBGD Cc1cc(C)n(CC(=O)NNC(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)n1 755847525 IEJSYOJQMJHTTJ-UHFFFAOYSA-N 400.399 -0.702 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 759772842 ABMHUXOCHAYDPR-UHFFFAOYSA-N 422.419 -0.835 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C(=O)c2ccc(Cl)s2)n(C)c1=O 760448303 LGHXQXOXEAQJAG-UHFFFAOYSA-N 424.826 -0.821 50 20 HBGD COc1ccc(C(=O)NNC(=O)CN2CCC3(CC2)NC(=O)N(C)C3=O)cc1OC 761105602 QAZBRQRRYULAFK-UHFFFAOYSA-N 419.438 -0.519 50 20 HBGD CCCCCn1nc(C(=O)NNC(=O)C[C@@H]2NC(=O)NC2=O)c2ccccc2c1=O 763270010 CXRLKFMNYKEZBQ-ZDUSSCGKSA-N 414.422 -0.054 50 20 HBGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)Cn3cc([C@H](C)O)nn3)CC2)cc1 766643810 ZKLOEIATRXFMFC-INIZCTEOSA-N 415.498 -0.395 50 20 HBGD COc1ccc(OC)c(C2=NO[C@H](C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)C2)c1 792641003 GVYKXFITDHRBOD-XPTSAGLGSA-N 414.440 -0.718 50 20 HBGD COCCn1nc(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)ccc1=O 794063307 KWODNNHMCRGNOC-UHFFFAOYSA-N 403.395 -0.423 50 20 HBGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)C1(S(C)(=O)=O)CCOCC1 796397646 LRVCSDLZDLGIKF-UHFFFAOYSA-N 412.464 -0.178 50 20 HBGD O=C(C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)N1CC[C@H](B(O)O)C1 864234097 MMMVGNUXIRUDMU-AWEZNQCLSA-N 424.284 -0.066 50 20 HBGD CC(C)CC(=O)NNC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 916516296 JYBODHHPBHOSFD-UHFFFAOYSA-N 412.516 -0.090 50 20 HBGD C[C@@H]1Oc2ccccc2N(CCC(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)C1=O 919889307 KSLPSLSVYHJBKT-NWDGAFQWSA-N 410.452 -0.292 50 20 HBGD CC[C@H](C)[C@@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779029607 VIWXUSSHNBUJQU-OWZDWXTDSA-N 419.482 -0.464 50 20 HBGD CN1CCCC[C@H]1C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1781027691 NXDYBEHYMJAGDA-RXVVDRJESA-N 415.299 -0.706 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1CCCCC1)CCO2 1783933914 MOANLDPVFLYHMM-HXUWFJFHSA-N 409.531 -0.325 50 20 HBGD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)no1 1786143851 MRPRNKUSQODCRQ-DZKIICNBSA-N 407.471 -0.051 50 20 HBGD Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)nc1 1786153576 KIGKDZHDHKCGCI-QRFRQXIXSA-N 423.278 -0.023 50 20 HBGD CN1CCC[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)C1 1791290663 IHESQBNYEMYCLU-XSLAGTTESA-N 423.558 -0.319 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3CCCC3)[C@H]2C1 1792314573 XAYOWENVYGNPBM-BZSNNMDCSA-N 423.558 -0.175 50 20 HBGD C[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2)n1cncn1 1802964866 NSCRRKYHMFUYKO-FQUUOJAGSA-N 412.454 -0.210 50 20 HBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)[C@H](O)CCl 1814870170 KXNOKRVJLRTTKB-HUUCEWRRSA-N 420.662 -0.005 50 20 HBGD C[C@H](NC=O)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815360029 JDLKAHXEQNZCGK-GXFFZTMASA-N 416.268 -0.817 50 20 HBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)c1nc[nH]n1 1817757981 HHNOVRFTXDXEIQ-CQSZACIVSA-N 409.215 -0.173 50 20 HBGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H](O)CN2)[nH]n1 1822415449 HFRVZXRYSGZOSX-QEJZJMRPSA-N 421.502 -0.502 50 20 HBGD C[C@@H]1C[C@]1(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939580 UGWXQCHLLDPVAI-GQWLDOHISA-N 416.283 -0.518 50 20 HBGD CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839222127 DNUMWOUEWRZZSY-KEYYUXOJSA-N 405.879 -0.157 50 20 HBGD CCc1[nH]nc(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)c1F 1843010878 QIRXQAUKIZWGAR-UHFFFAOYSA-N 400.219 -0.078 50 20 HBGD C=CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 10214406 PUSNPTDREUGDEZ-LBPRGKRZSA-N 401.466 -0.653 50 20 HBGD CC(=O)N1CCCc2cc(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)ccc21 728509639 JUQMLCPUFVDDNP-JTQLQIEISA-N 418.497 -0.767 50 20 HBGD CS(=O)(=O)c1ccc(OCCNC(=O)NNC(=O)CNC(=O)c2ccco2)cc1 730066339 HFZGYDXIFNIPEG-UHFFFAOYSA-N 424.435 -0.178 50 20 HBGD Cn1nc(SCC(=O)NN=Cc2ccccc2OCC(=O)O)c(=O)n(C)c1=O 730568759 ACBFRHDUKISPCY-UHFFFAOYSA-N 407.408 -0.815 50 20 HBGD O=C(NNC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1)N[C@H]1CCS(=O)(=O)C1 732755817 XTHTYQSBFWYVBG-BFHYXJOUSA-N 400.501 -0.067 50 20 HBGD COc1ccc(C(=O)NNC(=O)c2cnn(C)c2)cc1S(=O)(=O)N1CCOCC1 735444534 LSWDOHWHGHYRKU-UHFFFAOYSA-N 423.451 -0.476 50 20 HBGD Cc1cc(NNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)nc(C)n1 736711977 VKWIHFMUXRJHEL-UHFFFAOYSA-N 404.452 -0.029 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2ccc3c(c2)CCO3)n(C)c1=O 755716200 IHCQIHIGJDVALR-UHFFFAOYSA-N 413.394 -0.779 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 758041077 WAXNKAZGKMQQKS-LLVKDONJSA-N 416.481 -0.537 50 20 HBGD C#CCNS(=O)(=O)N1CCN(CC(=O)NNC(=O)c2cccc(Cl)c2)CC1 761031126 OEYFWOSXTLVZDO-UHFFFAOYSA-N 413.887 -0.814 50 20 HBGD CCc1c(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cnn1CC(C)C 764234515 YMJPPZJYXFDAOA-JTQLQIEISA-N 402.477 -0.875 50 20 HBGD CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)C1CCC1 764336010 XJKJAGJOCWYIGA-UHFFFAOYSA-N 411.484 -0.111 50 20 HBGD O=C(CCC(=O)N1CC(=O)Nc2ccccc21)NNC(=O)CNC(=O)c1cccnc1 764344564 ZPWLZJNZXSMLAD-UHFFFAOYSA-N 424.417 -0.276 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2cccc3cc[nH]c23)n(C)c1=O 776067318 HGMGPBHUPXRZSS-UHFFFAOYSA-N 410.394 -0.232 50 20 HBGD C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)N1CCN(S(=O)(=O)CBr)CC1 779545949 VNSKPEOPBKELED-GXSJLCMTSA-N 412.306 -0.912 50 20 HBGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)CNC(=O)c2ccco2)c(OC)c1 785488026 OECQXNAYZVTJDZ-UHFFFAOYSA-N 411.392 -0.186 50 20 HBGD COC(=O)c1ccc(Br)c(NNC(=O)C(=O)NCC(=O)N(C)C)c1 815865698 CFFURVOUVHEVAU-UHFFFAOYSA-N 401.217 -0.117 50 20 HBGD CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)=NO1 816887387 YNBXASHIEJTTED-MNOVXSKESA-N 407.431 -0.343 50 20 HBGD COc1ccc(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)nc1Br 1325134820 WRSLAZAIAFADOH-SSDOTTSWSA-N 407.246 -0.016 50 20 HBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)[C@@H]1CCCO1 1781971436 WARHASFTOKMKJM-WAOWUJCRSA-N 416.283 -0.327 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)CCCn3ccnc3)C2)C1 1784402751 GOOKUAYUJMOVKT-HXUWFJFHSA-N 420.514 -0.134 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)CN)[C@H]2C1 1786783941 WJKGQLBLJTWRKE-RWWPBDOISA-N 418.498 -0.305 50 20 HBGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)N1CCN(C)CC1 1789794803 CZKAKVFKTXDYGS-HMDCTGQHSA-N 416.950 -0.798 50 20 HBGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](Cl)COC)[C@H]2C1 1791255062 CMMKAMBKISLSPL-DKBOKBLXSA-N 421.878 -0.716 50 20 HBGD C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1791261899 JYCMQYYKSGNWDB-GVARAGBVSA-N 407.496 -0.403 50 20 HBGD COC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1792573338 PVLKFSACMDGUQY-JJLQDPRZSA-N 405.455 -0.687 50 20 HBGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCOCC1)C2 1792868348 WLIBVTNGCNKHER-HGTKMLMNSA-N 418.332 -0.061 50 20 HBGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)CCC(N)=O 1795529415 FOTHEPBSSDUKME-HNRZYHPDSA-N 419.320 -0.800 50 20 HBGD COc1ncccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801009400 FBXQEQSOCLHSKQ-ZSBFGKGUSA-N 419.482 -0.334 50 20 HBGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1C[C@@H](O)C1)CC2)c1cccc(B(O)O)c1 1815356312 BOZYUNZPSVLGKC-FPMFFAJLSA-N 415.280 -0.180 50 20 HBGD C[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2)n1cnnn1 1830370247 NMNKBBNEKWIKEP-CXAGYDPISA-N 414.894 -0.045 50 20 HBGD O=C(C1=CCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1834678990 WIULYKCPRNNJBW-OAQYLSRUSA-N 414.267 -0.453 50 20 HBGD CC(C)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)CS(C)(=O)=O)CCO2)C1 1835250290 MUKBHOSJUJMRBN-INIZCTEOSA-N 410.920 -0.248 50 20 HBGD O=C(C1CCC(CO)CC1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010602 JOHSLKFWDGXLTA-UHFFFAOYSA-N 400.284 -0.018 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNc3nnc(C)c(=O)[nH]3)CC2)cc1 117391965 ZAXFXSNURLKGSS-UHFFFAOYSA-N 421.483 -0.769 50 20 HBGD Cn1c(=O)[nH]c(=O)c2[nH]c(CCC(=O)NNC(=O)Cc3c[nH]c4ccccc34)nc21 144344950 QTMGKUNLCRUWRS-UHFFFAOYSA-N 409.406 -0.246 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=S)NCC(=O)NC(C)C)cc1 727271038 QJKDLAJRYYEWNN-UHFFFAOYSA-N 415.541 -0.365 50 20 HBGD CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NNC(=O)c2cnn[nH]2)c1 729456563 SSRKVJDGAVVUNH-UHFFFAOYSA-N 407.456 -0.270 50 20 HBGD COc1ccc(C=NNC(=O)CSc2nnc(O)nc2O)c(OCC(=O)O)c1 734365151 CMQFQENBSHSOFZ-UHFFFAOYSA-N 409.380 -0.003 50 20 HBGD CC(C)(C)OC(=O)N1CCC(NC(=O)NNC(=O)Cn2ccc(O)nc2=O)CC1 734821013 DWTQIYMSQUDALP-UHFFFAOYSA-N 410.431 -0.321 50 20 HBGD CC(C)NS(=O)(=O)CCNC(=O)NNc1ccc(S(=O)(=O)NC(C)C)cn1 746971531 DQCMRSFOVOKKSE-UHFFFAOYSA-N 422.533 -0.278 50 20 HBGD C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NNC(=O)C(=O)N1CCCC1)C2=O 748247145 UZJUWTAAEXBFFT-BLVKFPJESA-N 407.471 -0.107 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cc(Br)c(=O)n(C)c1 757679209 RYZYZYSVEHZMOD-ZCFIWIBFSA-N 410.250 -0.762 50 20 HBGD Cc1nn(C)c(C)c1OCC(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 758995676 UJMZNCPPNWPTPZ-OAHLLOKOSA-N 418.406 -0.054 50 20 HBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 763996823 FYFTYFSZRUFLFQ-ZETCQYMHSA-N 405.335 -0.471 50 20 HBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 765639388 ZMANVZPQUMOJAJ-LLVKDONJSA-N 409.468 -0.323 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc(C#N)c(Cl)c2)n(C)c1=O 777813428 QFFOUWFVHUNTIL-UHFFFAOYSA-N 415.797 -0.580 50 20 HBGD CN(NC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12)C(N)=O 778416517 APWRFPFYFAJTJT-UHFFFAOYSA-N 409.424 -0.383 50 20 HBGD CCOC(=O)COc1cccc(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)c1 783427140 QCHIQLIHEVUHMO-KRWDZBQOSA-N 413.452 -0.235 50 20 HBGD COC(=O)[C@@H](C)Cc1ccc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)cc1 783998585 CSKVBRKWWKGEGA-LBPRGKRZSA-N 404.423 -0.254 50 20 HBGD CN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NNC(=O)[C@H]3CCCO3)cc2)CC1 815779194 VKAPNZTXYOOLRP-MRXNPFEDSA-N 417.466 -0.732 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc3c(c2)CCCC3=O)n(C)c1=O 815827179 OZYINURTPOSSRV-UHFFFAOYSA-N 424.417 -0.586 50 20 HBGD O=C(NCCS(=O)(=O)CC1CC1)NNC(=O)c1csc(N2CCOCC2)n1 1116300283 KHPPGAGKPCBPFS-UHFFFAOYSA-N 417.513 -0.252 50 20 HBGD COCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779371179 OAERZVYTNFOTRS-DNVCBOLYSA-N 405.455 -0.541 50 20 HBGD CC(C)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@@H](N)C(N)=O)C[C@@H]21 1783850354 GEBHGMRTJZBWRD-FQUUOJAGSA-N 402.923 -0.176 50 20 HBGD O=C(CCBr)N1CCO[C@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1784113585 VJIFPAUGKKSSBS-INIZCTEOSA-N 414.256 -0.474 50 20 HBGD O=C(CNC(=O)c1cccnc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1785169077 IOASOZGTGYGXDQ-VGWMRTNUSA-N 424.885 -0.609 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(C)(C)C)[C@H]2C1 1786835282 KURBILHVZRJVTG-JYJNAYRXSA-N 411.547 -0.273 50 20 HBGD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)ccn1 1788883453 ITANMDXAEWGQQW-IHPCNDPISA-N 423.278 -0.023 50 20 HBGD O=C1C[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](F)Br)C[C@@H]32)CN1 1790859937 MKFSJODJDLWFQQ-FBUUZDRASA-N 406.252 -0.207 50 20 HBGD N=C1NCCN1CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2 1795580086 DDVJEHPCKGWXST-RBLKWDMZSA-N 406.256 -0.894 50 20 HBGD CC(=O)Nc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)ccn1 1796742824 JUOQJXDKOSPIMS-HLPPOEQASA-N 410.858 -0.157 50 20 HBGD CC[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)n1cnnn1 1801438331 GDCKTWPVGKNMAY-WJTVCTBASA-N 415.292 -0.003 50 20 HBGD Cc1nn(C)c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1F 1830725330 NZMYLDXJVOWNNB-SJKOYZFVSA-N 418.853 -0.463 50 20 HBGD C=CC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835932066 MFNMQIMJZJCYKI-IERDGZPVSA-N 416.283 -0.351 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccnn3)C2)C1 1839151853 GAOFGUMWXZCGHF-HOTGVXAUSA-N 420.297 -0.029 50 20 HBGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 1840032412 XZVXFFUHOHVZFD-XHBSWPGZSA-N 418.288 -0.495 50 20 HBGD O=C1CC[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C(Cl)Cl)CCO3)C2)CN1 1840187021 HWQUHENEHRDAOS-BZNIZROVSA-N 408.282 -0.227 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)[C@@H]1CC[C@@H]3CCC(=O)N3C1)C2 1846385591 XAPZVMREQOBCIV-HZPDHXFCSA-N 419.526 -0.036 50 20 HBGD COc1cc(C(=O)NNC(=O)c2cc(S(N)(=O)=O)cn2C)cc(OC)c1OC 21316221 VMAHUZBSKMINPG-UHFFFAOYSA-N 412.424 -0.227 50 20 HBGD Cc1cccc(OCC(=O)NNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 104670618 RHQVUCIWYLETCR-ZDUSSCGKSA-N 422.463 -0.313 50 20 HBGD CC(C)NC(=O)C(=O)NNC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 726614095 NYHBIZLVBNYQQC-UHFFFAOYSA-N 410.374 -0.344 50 20 HBGD Cn1c(=O)c2c(ncn2CCC(=O)NNC(=O)CCCc2ccccc2)n(C)c1=O 727717534 ZFHSHYYSHDMQQY-UHFFFAOYSA-N 412.450 -0.006 50 20 HBGD COCCCN(C)CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 745858057 WRJNDWIXVOCNRX-UHFFFAOYSA-N 415.516 -0.151 50 20 HBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@H]2CC(=O)N(C)C2)c1 750653535 WBCUGNHAEJCUMG-ZDUSSCGKSA-N 411.484 -0.108 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 758036892 WKXTYALNASSVHB-MNOVXSKESA-N 420.513 -0.875 50 20 HBGD CS(=O)(=O)N1CCN(CC(=O)NNC(=O)c2cc(-c3ccccc3)on2)CC1 759688809 IJBRYMONWGKVIZ-UHFFFAOYSA-N 407.452 -0.320 50 20 HBGD Cc1csc(CC(=O)NNC(=O)COC(=O)CCN2C(=O)NC(C)(C)C2=O)n1 762783628 YIYCZACIDOFWCR-UHFFFAOYSA-N 411.440 -0.595 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccccc1OC(C)(C)C 764231016 LLFJVYPTFBZDBU-SNVBAGLBSA-N 400.457 -0.113 50 20 HBGD CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cc(C)[nH]n2)cc1 765588462 PJPRFLQCIDGDPN-UHFFFAOYSA-N 408.440 -0.242 50 20 HBGD COc1ccc(CC(=O)NNC(=O)C(C)(C)O)cc1S(=O)(=O)N1CCOCC1 787946576 GNAJDFYYJIWMRT-UHFFFAOYSA-N 415.468 -0.823 50 20 HBGD CN(C)S(=O)(=O)CCNC(=O)NNC(=O)CNC(=O)OCc1ccccc1 811912382 BJDQOMMHUIYNQA-UHFFFAOYSA-N 401.445 -0.865 50 20 HBGD O=C1CN(c2ccc(NC(=O)C(=O)NNC(=O)[C@H]3CCCO3)cc2Cl)CCN1 815778568 XMHVTRMLKOPZEE-CYBMUJFWSA-N 409.830 -0.459 50 20 HBGD O=C(C[C@@H]1CCCS(=O)(=O)C1)NNC(=O)c1csc(N2CCOCC2)n1 1117702816 AXTAUKYZLKNPEH-NSHDSACASA-N 402.498 -0.044 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NN=C2CCC(CS(C)(=O)=O)CC2)n(C)c1=O 1343882093 NTGGODKZJFRUKK-UHFFFAOYSA-N 424.483 -0.859 50 20 HBGD Cc1cnoc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779032435 JVDIOBLRSVVRGV-LJQANCHMSA-N 414.422 -0.261 50 20 HBGD C[C@H](Br)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)n1cnnn1)CCO2 1783540370 VEDPCKMIAAQAGA-MISXGVKJSA-N 401.265 -0.153 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CC[C@H](O)CC1)CCO2 1783937680 NBKDKJXYCCXOQA-JXXFODFXSA-N 410.515 -0.260 50 20 HBGD CCN(C)[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786983078 IEVNTBBNIWDHJQ-XIVBQZFQSA-N 417.315 -0.700 50 20 HBGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@](C)(O)CC(=O)O)C[C@@H]21 1791257345 BEYOVPQVWAQALT-NTIKPUAMSA-N 420.890 -0.164 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)C(C)(C)C)C[C@@H]21 1791288005 MSEAVDZNJHDSOL-YRBFXIGRSA-N 412.531 -0.254 50 20 HBGD N=C1NCCN1CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2 1795580085 DDVJEHPCKGWXST-QCMRWSPLSA-N 406.256 -0.894 50 20 HBGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1)C1(O)CCC1 1795736825 JQPSPSZYRYACTH-NYCLONFESA-N 416.283 -0.879 50 20 HBGD CCNC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2 1797700840 VTDVBUGEOKLXFE-HHHUOAJASA-N 423.283 -0.026 50 20 HBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=COCCC1)C2 1797753963 GEFGRMZMXYOWKC-XOIINTDNSA-N 415.450 -0.417 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[C@@H]1C[C@@]1(F)Cl 1801091604 UQLSEKHFNUKYGR-SIAFSPRGSA-N 410.638 -0.506 50 20 HBGD C[C@H](CN)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807011853 QZGWHMKDZGLUFG-DKSSEZFCSA-N 410.283 -0.324 50 20 HBGD O=C(NC[C@@H]1CCN(C(=O)c2ncon2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807360745 LWWMNTWUBVAERA-RDJZCZTQSA-N 421.222 -0.222 50 20 HBGD C[C@H](NC=O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1 1820880189 BMSLLHZEPCEHSP-GXTWGEPZSA-N 407.475 -0.091 50 20 HBGD CCC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CS(C)(=O)=O)CCO2)C1 1835249807 DLNDWRMGVAMREG-CJNGLKHVSA-N 410.920 -0.105 50 20 HBGD C/C=C(/C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939921 NVBOJGIVAZKTRS-WIJZHZITSA-N 402.256 -0.597 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1839148968 PFHKYXWJCCYWOB-ACJLOTCBSA-N 413.858 -0.615 50 20 HBGD O=C([C@@H]1CCc2nc[nH]c2C1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012837 UOKQFYPNMOFJIS-OAHLLOKOSA-N 408.267 -0.288 50 20 HBGD C[C@@H](C(=O)N1CCCC12CN(C(=O)CCC(=O)NN(C)C)C2)N1CCN(C)CC1 1845100572 IORJRASKLXQFKB-INIZCTEOSA-N 408.547 -0.801 50 20 HBGD COc1ccc([C@@H](O)C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cccc(B(O)O)c2)cc1 1847396202 UUACZCJIXWSNFL-SLFFLAALSA-N 424.262 -0.076 50 20 HBGD O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)NNC(=O)C(=O)N1CCCC1 729351044 MIYFIDNVNZXAGP-UHFFFAOYSA-N 422.385 -0.247 50 20 HBGD COc1ccc(OCC(=O)NNC(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)cc1 735583770 DXKPKYDJWDDLOA-HNNXBMFYSA-N 402.411 -0.057 50 20 HBGD Cc1nc2ccccn2c1C(=O)NNC(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C 747735692 HURDIOLYDNCPKB-UHFFFAOYSA-N 421.417 -0.028 50 20 HBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@H](C)CN1CCN(c2ccccn2)CC1 748633929 UKCLLCDMURCDIV-HZPDHXFCSA-N 408.503 -0.026 50 20 HBGD O=C(CNC(=O)c1cccs1)NNC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 751211953 YOBGDIVKRSBPGA-NBLIUIFLSA-N 402.432 -0.568 50 20 HBGD CC(C)CNS(=O)(=O)c1ccc(CNC(=O)NNC(=O)C(=O)NC2CC2)cc1 759662981 RSIWJEKWXSFESG-UHFFFAOYSA-N 411.484 -0.270 50 20 HBGD CCN(CC)c1ccnc(NNC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)n1 762902050 OQLNRRJQBOIOTP-UHFFFAOYSA-N 401.431 -0.787 50 20 HBGD COC(=O)c1ccc(Cl)c(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 764227663 PPHKYAWMNMVNTA-ZETCQYMHSA-N 420.831 -0.850 50 20 HBGD O=C(CO)NNC(=O)C(=O)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1 764428507 FWPDPIIGMWJXER-UHFFFAOYSA-N 405.436 -0.275 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2nc(C3CC3)cs2)n(C)c1=O 765312530 IFQPUNAKXPGGED-UHFFFAOYSA-N 418.439 -0.380 50 20 HBGD O=C(NNS(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1)N1CCOCC1 777619308 WFVBONPSUYDTJG-UHFFFAOYSA-N 415.384 -0.214 50 20 HBGD Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)NNC(=O)[C@@H]1COCCO1 799258985 MEJMDOMADNOHBG-CABCVRRESA-N 420.422 -0.894 50 20 HBGD CCn1nc(C(=O)NNC(=O)NCCCN(C)S(C)(=O)=O)c2ccccc2c1=O 916580344 OZMJBKVVRMPKFF-UHFFFAOYSA-N 424.483 -0.358 50 20 HBGD O=C(CN1CCCC1=O)NNC(=O)c1sccc1S(=O)(=O)N1CCOCC1 920433839 JFXSOPKXDIOAAB-UHFFFAOYSA-N 416.481 -0.848 50 20 HBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)N[C@@H](C)CS(C)(=O)=O 1116064277 PRTYFNARPYZQMO-VIFPVBQESA-N 405.502 -0.335 50 20 HBGD C[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)Cn3ccncc3=O)CCO2)C1 1783537033 OWJXOZXUODUOIT-WBMJQRKESA-N 413.272 -0.143 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1783875387 MHZQEUHPWHRQRG-QAPCUYQASA-N 410.663 -0.936 50 20 HBGD CCNC(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](Cl)COC)C2)C1 1783878372 XOZMHICGUKFAPW-IGCXYCKISA-N 404.895 -0.222 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)[C@H]3C[C@]3(F)Cl)C2)C1 1784068323 WYCRSTKJCNRANW-FHLIZLRMSA-N 410.638 -0.266 50 20 HBGD C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)n1cccn1 1784517622 BLRPDVNLVTZDPX-MGPUTAFESA-N 412.255 -0.732 50 20 HBGD Cc1onc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)c1C 1793586900 CQFZZCVNUVDQPD-ZSBFGKGUSA-N 407.471 -0.132 50 20 HBGD NC(=O)[C@H](N)CCC(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@H]1c1cccnc1 1807192699 XHDHAWDBQVKWOB-FQLMCAECSA-N 411.890 -0.720 50 20 HBGD CC(=O)NCCC(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826089390 BRKSXFBBMIEUPS-LBPRGKRZSA-N 424.527 -0.046 50 20 HBGD CNC(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1831277102 YRBUQYIHGCZXJH-GXTWGEPZSA-N 410.240 -0.731 50 20 HBGD CN(C)CC(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1834468879 SPIJDQYKCKXFSC-UHFFFAOYSA-N 410.563 -0.507 50 20 HBGD O=C(Cn1ccc2ccccc21)NNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 729451020 FAOCFDIPBUUBKG-GJZGRUSLSA-N 418.475 -0.176 50 20 HBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)[C@H]2CCc3c[nH]nc3C2)CC1 743418473 GAYBGSCRDVSYCZ-ZDUSSCGKSA-N 419.511 -0.011 50 20 HBGD C[C@@H](C(=O)OCC(=O)NNC(=O)c1cccs1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 745442118 VUQLUDZWDDSHGZ-KOJFIEQPSA-N 421.431 -0.397 50 20 HBGD Cc1c(Cl)cc(C(=O)O)cc1S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 747613564 PSTNWGDNGFRBHK-ZETCQYMHSA-N 413.861 -0.406 50 20 HBGD Cc1nc(S(=O)(=O)N2CCN([C@@H](C)C(=O)NNC(=O)CC(C)C)CC2)cn1C 767096734 MVZZVFDFIHDZEA-ZDUSSCGKSA-N 414.532 -0.383 50 20 HBGD C[C@H]1C[C@H](C(=O)NNC(=O)c2cnn(C)c2)[C@H](C(=O)NNC(=O)c2cnn(C)c2)C1 775861430 WNYRUXVBRCAJLP-OJNYZHBWSA-N 416.442 -0.962 50 20 HBGD COC(=O)Cc1cccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)c1 784002413 OREMBJQFSKIYCH-UHFFFAOYSA-N 402.363 -0.489 50 20 HBGD CCOC(=O)c1[nH]c(C)c(S(=O)(=O)NNC(=O)[C@H]2CCc3nncn3C2)c1C 793449426 BWKZXCAUJRPJEI-NSHDSACASA-N 410.456 -0.028 50 20 HBGD CC(C)NC(=O)C(=O)N1CCN(CC(=O)NNC(=O)c2ccccc2Cl)CC1 795257400 CLWDQEZRIYDDFE-UHFFFAOYSA-N 409.874 -0.230 50 20 HBGD NC(=O)Cc1occc1C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 803938550 ULSRLWUWZMJCBI-AWEZNQCLSA-N 403.347 -0.548 50 20 HBGD COC[C@]1(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)CCN(C(=O)OC(C)(C)C)C1 810346419 OTIFIGPHVXFTEB-ZBEGNZNMSA-N 422.504 -0.655 50 20 HBGD Cc1cc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)ccc1N1CCN(C)CC1 1320106326 SGGXJHGRJXJWEQ-ZDUSSCGKSA-N 412.516 -0.163 50 20 HBGD Cn1nc(C(=O)NNC(=O)NC[C@H]2CCCCS2(=O)=O)c2ccccc2c1=O 1342305489 RGQXIJXWQDZAQL-LLVKDONJSA-N 407.452 -0.155 50 20 HBGD CC1(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)COC1 1779028384 DJRCZAXBFZFTQG-IBGZPJMESA-N 403.439 -0.835 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cnn4c3CCC4)C2)C1 1782322434 MORPCRWOLOUYCQ-HXUWFJFHSA-N 418.498 -0.354 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3cnncc3C(=O)O)CCO2)C1 1783878083 UZUPWPINRBCVSL-SUMWQHHRSA-N 412.830 -0.128 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3cnc[nH]3)[C@H]2C1 1785224815 PGCZQILDNXZZIT-XIRDDKMYSA-N 420.514 -0.305 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ccccc1O 1785805112 ZPBOMODTJWYBJG-QSFXBCCZSA-N 424.262 -0.021 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3CCOCC3)[C@H]2C1 1786748840 RXQYDTILYPMSTQ-QAETUUGQSA-N 417.934 -0.058 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1nnc3ccccc31)C2)[C@H](O)CCl 1792975183 LRBYHNOTDHIXCG-DJZPMSPPSA-N 407.858 -0.379 50 20 HBGD Cc1onc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c1C 1793582903 DCIWDTUNUQIVER-JLVBRIDZSA-N 413.239 -0.512 50 20 HBGD CN1CCN(C2(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@H](F)Cl)CC2)CC1 1796367748 SRHJFJNVQROXFB-XGUBFFRZSA-N 402.898 -0.110 50 20 HBGD C[Si](C)(C)OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCS(C)(=O)=O 1801530393 XVMHFYLSBJVTQY-YWVIFJGQSA-N 406.577 -0.138 50 20 HBGD C[Si](C)(C)OCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(CCO)CCO 1801735915 LIVKYKMTZYIQNG-MUJYYYPQSA-N 401.580 -0.237 50 20 HBGD O=C1CC(C(=O)N2CCC3(CCCN(C(=O)c4cccc(B(O)O)c4)C3)CC2)=NN1 1809978778 QPQVVQZEESPKQW-UHFFFAOYSA-N 412.255 -0.913 50 20 HBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)[C@@H](O)CCl)[nH]n1)c1ccc(B(O)O)cc1 1817470714 WUOKZKRYPFEMRK-CABCVRRESA-N 420.662 -0.005 50 20 HBGD O=C(CN1C(=O)CNC1=O)NC1CCN(C2CCN(C(=O)[C@H](F)Cl)CC2)CC1 1833677046 ZIIJBCSVWUGQEK-HNNXBMFYSA-N 417.869 -0.356 50 20 HBGD CN(C)C(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1835435865 VTZQQLJRGBAEBX-HZMBPMFUSA-N 410.240 -0.779 50 20 HBGD O=C(Cn1cc(Cl)cn1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1835969513 MYYWHORVOJLFAQ-CJNGLKHVSA-N 421.281 -0.407 50 20 HBGD NC(=O)c1nccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1838327685 DKKVRTXEPKRTNI-WBMJQRKESA-N 415.809 -0.820 50 20 HBGD CCOC(=O)O[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839681269 JFHCMVQAXBPUIK-IIYDPXPESA-N 422.862 -0.396 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CNC(=O)C3)CCO2)C1 1839872796 LYJQZJRWQYBMIF-OAUYIBNBSA-N 422.309 -0.185 50 20 HBGD C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)CCl)C2)C1)n1cnnn1 1840474516 VGOMCGONVIHXML-SUMWQHHRSA-N 414.894 -0.045 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)n2cnnn2)C1 1846645450 IVBCFYQJSRMSIH-LNOXHEFASA-N 413.442 -0.429 50 20 HBGD Cn1nccc1S(=O)(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 727349788 JFNBJFDSOGMXBR-UHFFFAOYSA-N 413.481 -0.172 50 20 HBGD CN(C)CC(=O)NNC(=O)CCNS(=O)(=O)c1ccc(Br)cc1 727761446 FRVSSESFFCTAAV-UHFFFAOYSA-N 407.290 -0.174 50 20 HBGD CC(=O)c1ccc(S(=O)(=O)NCC(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)cc1 728180367 YZEGVJRGZCOAGN-CQSZACIVSA-N 417.509 -0.340 50 20 HBGD Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NNC(=O)C(=O)NC(C)C)C1 729304359 PYTKQJRULLAMFN-LBPRGKRZSA-N 414.488 -0.901 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@@H](C)CS(C)(=O)=O)cc1 733663034 RKQWAJSGAJVTHB-LBPRGKRZSA-N 420.513 -0.621 50 20 HBGD CCc1ccccc1OCC(=O)NNC(=O)NCCS(=O)(=O)N1CCOCC1 748111219 JQPRLRRSHUITBF-UHFFFAOYSA-N 414.484 -0.380 50 20 HBGD C[C@@H](CC(=O)NNC(=O)c1cnn(C)c1)NS(=O)(=O)c1cccnc1Cl 760612148 HVLIIXWMORNPEY-VIFPVBQESA-N 400.848 -0.013 50 20 HBGD O=C(CCCN1C(=O)CNC1=O)N1CCN(S(=O)(=O)CBr)CC1 777833189 VQXJNJIOPYBEHZ-UHFFFAOYSA-N 411.278 -0.855 50 20 HBGD Cc1cccc(=O)n1C[C@@](C)(O)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 792142155 QTISIQOAISQRCP-HXUWFJFHSA-N 414.466 -0.238 50 20 HBGD Cc1cccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)n1 794090631 WYBXDWCDEVZXFD-UHFFFAOYSA-N 417.447 -0.415 50 20 HBGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cc(N2CCOCC2)ccc1C 797535891 QJCCYNVOBKHSOI-AWEZNQCLSA-N 408.455 -0.031 50 20 HBGD Cn1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c(O)nc1=O 915802687 RQNRTXACQFZPSC-UHFFFAOYSA-N 421.435 -0.655 50 20 HBGD Cn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1ccc(Cl)cc1O)c(=O)n2C 918357782 OGNSSZLWXKEWSD-UHFFFAOYSA-N 406.786 -0.746 50 20 HBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2ccc3nncn3c2)CC1 1116079093 FHQQPXVOGOADSH-UHFFFAOYSA-N 416.467 -0.183 50 20 HBGD Cc1cccc(C(=O)NNC(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)n1 1339599331 KETWHVQLTBVMIB-UHFFFAOYSA-N 421.483 -0.079 50 20 HBGD CCN(C)[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779036817 GFUKNUVTYUFDDK-XOBRGWDASA-N 418.498 -0.531 50 20 HBGD O=C(/C=C/c1cnccn1)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1784619428 ISXUVEIOSDUHFH-KTBYTZPXSA-N 422.250 -0.687 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)n(C)n3)[C@H]2C1 1785594020 NDFJWCLHTARLOC-MNXVOIDGSA-N 400.863 -0.027 50 20 HBGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCOCC3)C[C@@H]21 1791251510 KSKYONXTONACOB-NXOAAHMSSA-N 417.934 -0.058 50 20 HBGD CC(C)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H]1NC(=O)NC1=O)C2 1792782126 FKUZRAYKSDBTIL-LSCVPOLPSA-N 400.863 -0.561 50 20 HBGD CC(=O)N(C)[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1796904066 ONISWARZZCFBJO-GQAVTEOGSA-N 401.272 -0.515 50 20 HBGD CC(C)O[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1797859882 PWKQTYDAKGZAAC-VWPFQQQWSA-N 419.482 -0.298 50 20 HBGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)C1 1800529328 HDFPHSQMNCEMNF-YGEZULPYSA-N 402.289 -0.114 50 20 HBGD Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c(O)c1 1801692061 HFIUYJFWWMEHST-CWPLJXCYSA-N 424.262 -0.103 50 20 HBGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2=NNC(=O)C2)[nH]n1 1822416128 QFASZSIZJJVZJJ-ZDUSSCGKSA-N 418.458 -0.349 50 20 HBGD C[C@@H](NC=O)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827052463 JUSXBKWGQYUEKX-DNVCBOLYSA-N 415.299 -0.266 50 20 HBGD O=C(c1cnc(Cl)nc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830720275 VSPBEJVGBAFNCF-WBMJQRKESA-N 419.265 -0.200 50 20 HBGD O=C(COc1cccnc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1832668347 OFEXWWFIHCRWLH-YJBOKZPZSA-N 413.858 -0.484 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1 1839153617 LZELYKMDYLCDBL-JKSUJKDBSA-N 421.281 -0.445 50 20 HBGD C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](Cl)COC)CCO2)C1 1840153641 WBKAEGBVPDISNF-GLJUWKHASA-N 417.890 -0.613 50 20 HBGD O=C(CNC(=O)c1ccc(Br)s1)NNC(=O)[C@H]1CCS(=O)(=O)C1 728202892 CCSUJYZAJRGQRJ-ZETCQYMHSA-N 424.298 -0.178 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)[C@H]3CCS(=O)(=O)C3)cc2)CC1 728213763 PJXAWBWEKIVDBQ-ZDUSSCGKSA-N 416.525 -0.500 50 20 HBGD Cc1cc(=O)c(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)nn1-c1ccccc1F 729274791 CZYASKANWGXOKZ-SNVBAGLBSA-N 411.415 -0.621 50 20 HBGD O=C(COc1ccccc1O)NNC(=O)CN1C(=O)c2ccccc2S1(=O)=O 730782347 LKUQVXCXWCPWTR-UHFFFAOYSA-N 405.388 -0.237 50 20 HBGD O=C(C[C@H]1CN(Cc2ccccc2)CCO1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 746161765 AVXUSWRVMGGFEF-CVEARBPZSA-N 410.496 -0.205 50 20 HBGD C=CCNC(=O)c1cccc(S(=O)(=O)NNC(=O)CNC(=O)c2ccco2)c1 751282564 NQSXZBYQRJERKM-UHFFFAOYSA-N 406.420 -0.065 50 20 HBGD CSCC[C@@H](NC(=O)c1ccccc1)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758042750 AHZLCMDCXSECBB-DGCLKSJQSA-N 416.525 -0.377 50 20 HBGD Cc1c(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)nnn1-c1ccccc1Cl 758045097 BLSSQIFPIWFEJG-MRVPVSSYSA-N 400.848 -0.072 50 20 HBGD CC(C)NS(=O)(=O)c1ccc(C(=O)NNC(=O)CNC(=O)c2cccnc2)cc1 763821903 ZFXWLCGLUDXZLF-UHFFFAOYSA-N 419.463 -0.041 50 20 HBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(N2CCN(CC(=O)OC)CC2)cc1 764317672 NKUSXDIUHOGCSG-UHFFFAOYSA-N 421.454 -0.896 50 20 HBGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)C1CCN(S(N)(=O)=O)CC1 765318138 BRMIKNXPDCXCQL-UHFFFAOYSA-N 407.493 -0.646 50 20 HBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)[C@H]1CC(=O)N(C2CC2)C1 766635806 FQDOLRXHRCAELB-INIZCTEOSA-N 413.478 -0.397 50 20 HBGD COC(=O)c1cc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)on1 781278063 IIRFNKKCMPRQDE-ZDUSSCGKSA-N 405.319 -0.395 50 20 HBGD COc1cc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc2cccnc12 815569343 PMTFLQWKZRFHOZ-SECBINFHSA-N 409.424 -0.733 50 20 HBGD O=C(CSc1nnnn1C1CC1)NNC(=O)c1csc(N2CCOCC2)n1 849201256 KLLVYQHAJQNYKX-UHFFFAOYSA-N 410.485 -0.146 50 20 HBGD Cc1ccc(S(=O)(=O)NCC(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)cc1 912919856 RRUWUQAPWDAHFQ-GASCZTMLSA-N 412.512 -0.080 50 20 HBGD CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)o1 915141154 HHNCWVPEKHAHJP-VIFPVBQESA-N 407.470 -0.448 50 20 HBGD CC(=NNC(=O)CN1CCCC1=O)c1ccc(S(=O)(=O)NCCC(=O)O)cc1 916357854 OREYHYDQKDIECD-UHFFFAOYSA-N 410.452 -0.098 50 20 HBGD Cn1nc(C(=O)NNC(=O)C2(S(C)(=O)=O)CCOCC2)c2ccccc2c1=O 1117697861 PMDLYSUZXQYETB-UHFFFAOYSA-N 408.436 -0.712 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nc[nH]n1)C2 1782212122 WDBUUTGGOZDFSL-FZKQIMNGSA-N 407.475 -0.695 50 20 HBGD O=C(CNC(=O)C(F)(F)F)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1783976459 XGMWJLDPOMVHCS-ZANVPECISA-N 401.769 -0.906 50 20 HBGD COc1nn(C)cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1785860107 GRGZIOYNHGBOPF-VTPLQMEGSA-N 400.863 -0.378 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCC=CO3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979831 SAKLFNXYSJNPJU-WNHJNPCNSA-N 414.267 -0.348 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CC(O)C1 1792890664 BESMCBCUVLNUCW-UHWUFHFASA-N 417.466 -0.519 50 20 HBGD COc1ccnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)c1OC 1792978536 GAAQEXCKUDPJCS-OPDFLTKYSA-N 413.858 -0.098 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccc(F)cn1 1794919153 HPGLONPNWSWTPJ-ZSBFGKGUSA-N 413.214 -0.583 50 20 HBGD COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)cc1 1795739912 PUYLRFIPQDAVBH-XEMDLRDOSA-N 424.262 -0.108 50 20 HBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1CCOC1=O 1797168416 WAIQOTMXRSIMKU-XFMPKHEZSA-N 403.863 -0.328 50 20 HBGD O=C(Cn1cc(Cl)cn1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830723510 OTAKRBQAAYWHJT-BBRMVZONSA-N 421.281 -0.407 50 20 HBGD CCn1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)n1 1834401433 IIJNLZRBSLSSRM-PBHICJAKSA-N 400.863 -0.427 50 20 HBGD C[C@H](Cn1ccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840428145 CHCRKDSTEBLICJ-RVKKMQEKSA-N 414.890 -0.425 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1cc(C(=O)O)ncn1)C2 1846384408 PMVZIPGBONBBAO-UHFFFAOYSA-N 404.427 -0.635 50 20 HBGD Cc1cc(C)n(CC(=O)NNC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)n1 16200944 HRADUQQBEHNHGO-UHFFFAOYSA-N 424.483 -0.679 50 20 HBGD CN(C)N(C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)[C@H]1CCS(=O)(=O)C1 728177590 DYSWEGATCGJRLQ-LBPRGKRZSA-N 412.424 -0.188 50 20 HBGD NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)NNC(=O)Cc1ccccc1F 731344264 DEICAYHMNRRSDM-UHFFFAOYSA-N 422.394 -0.229 50 20 HBGD O=C(CCNC(=O)N1CCc2ccccc2C1)NNC(=O)[C@H]1CCS(=O)(=O)C1 732259392 QVJBTYJQMYPZFG-HNNXBMFYSA-N 408.480 -0.274 50 20 HBGD CCS(=O)(=O)N1CCC(C(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)CC1 732263410 MFRQGGFATKCVGN-KBPBESRZSA-N 404.533 -0.305 50 20 HBGD CC[C@@]1(C)NC(=O)N(CC(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)C1=O 744460066 PHVBWNZDVPKQIP-GOSISDBHSA-N 401.379 -0.417 50 20 HBGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)c2sccc2S(N)(=O)=O)cc1 744625975 DSVIUIMIOANWHH-UHFFFAOYSA-N 408.417 -0.115 50 20 HBGD CC[C@H](C(=O)NNC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)c1ccccc1 746245824 AVZKQUKVHYLROV-ZDUSSCGKSA-N 407.452 -0.267 50 20 HBGD C[C@H](NC(=S)NNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C1CC1 751621342 TXEPHJJIFSOFSS-GXSJLCMTSA-N 401.514 -0.554 50 20 HBGD Cc1cc(Cl)c(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1[N+](=O)[O-] 753081799 VCTWARZMHSTETQ-SSDOTTSWSA-N 414.849 -0.196 50 20 HBGD O=C(NNc1ccc(C(F)(F)F)nn1)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 755194558 RJNJXDIITYJLED-RKDXNWHRSA-N 407.374 -0.026 50 20 HBGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 763871555 HMEATUPUZLWEMB-NSHDSACASA-N 420.401 -0.336 50 20 HBGD CCO[C@H]1C[C@H]1C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 766637130 YEIWRCAQWKIOMY-SJORKVTESA-N 424.523 -0.126 50 20 HBGD O=C(Cc1ccncc1)NNC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 776061095 DUKZSBSQGBUEMH-UHFFFAOYSA-N 420.451 -0.107 50 20 HBGD Cn1cnc(S(=O)(=O)NCC(=O)NNC(=O)NCc2ccc(Cl)cc2)c1 787424437 JVXUDUPHVIUYMN-UHFFFAOYSA-N 400.848 -0.118 50 20 HBGD CN(C)NC(=O)Nc1cccc(NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)c1 788255584 NZNNLQFMBWWEQD-UHFFFAOYSA-N 414.426 -0.330 50 20 HBGD COCCN1C(=O)c2ccc(C(=O)NNC(=O)NCC(F)(F)F)cc2S1(=O)=O 798315774 QBSSUJFQTNUCGQ-UHFFFAOYSA-N 424.357 -0.016 50 20 HBGD Cn1cnc2c1c(=O)n(CC(=O)NNC(=O)Nc1cc(F)cc(F)c1)c(=O)n2C 802002700 YPFVEYGZHUXQEK-UHFFFAOYSA-N 407.337 -0.435 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc(O)ccc2Cl)n(C)c1=O 810591417 CENMKDGSZBGRMD-UHFFFAOYSA-N 406.786 -0.746 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NNC(=O)CN2CCCC2=O)s1 920435944 QGQCVNQRCXXBMQ-LBPRGKRZSA-N 414.509 -0.021 50 20 HBGD CS(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 1116113673 YECKGYVKUBEVCT-MRVPVSSYSA-N 409.873 -0.125 50 20 HBGD CC(=O)N(C)[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2 1778098201 DHPZAWQUEINPDS-KDQZPGIASA-N 403.907 -0.033 50 20 HBGD CC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNCP(=O)(O)O)[C@H]2C1 1786791311 SQQQVFNTPILKOM-RVMXOQNASA-N 411.823 -0.292 50 20 HBGD COc1cnc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)cn1 1796187143 NHROXEGQTYKSNA-MUJYYYPQSA-N 410.239 -0.269 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCn1ccnn1)C2 1798443638 RBLOSFKKHOBUFX-BTTYYORXSA-N 412.454 -0.381 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[C@@H]1C[C@]1(F)Cl 1801091602 UQLSEKHFNUKYGR-ORABNUQBSA-N 410.638 -0.506 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCC2(CCCN(C(=O)CNC(=O)N(C)C)C2)CC1 1805040940 HIPPEGMKUNXIHS-UHFFFAOYSA-N 424.546 -0.138 50 20 HBGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1ncon1 1811179043 OEBKNDHXHLKXJD-DOTOQJQBSA-N 421.222 -0.222 50 20 HBGD CC(=O)NCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCC(=O)NN(C)C)CC2 1825171093 NWCAQUHFBPCCRW-LLVKDONJSA-N 410.500 -0.436 50 20 HBGD O=C(c1ccc2nonc2c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830728079 OPCJXFYYUYOKSQ-MAUKXSAKSA-N 424.841 -0.108 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccccc1)CCO2 1838850425 XCBWJQCTWMNLCI-QFIPXVFZSA-N 424.262 -0.250 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NC(C)=O)CCO2 1839881340 TUAURXZFYQDRQH-JDFRZJQESA-N 405.879 -0.779 50 20 HBGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)N(C)C)C2)C1 1839963229 FBMYUQHPJIQUMM-BLLLJJGKSA-N 420.304 -0.296 50 20 HBGD CCOc1cnc(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)cn1 1842200211 AVNRRZRWEKFJFY-UHFFFAOYSA-N 410.239 -0.314 50 20 HBGD CN1CCN(c2cc(CNC(=O)NNC(=O)CNC(=O)c3ccco3)ccn2)CC1 725871091 GCPGDMONQVIIOH-UHFFFAOYSA-N 415.454 -0.313 50 20 HBGD CC(C)(C)NS(=O)(=O)CCNC(=O)NNC(=O)CNC(=O)c1cccs1 725874220 WVKOTDYJOKWTBB-UHFFFAOYSA-N 405.502 -0.474 50 20 HBGD N#Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 729297804 HLZZPJWBAUTJAS-MRXNPFEDSA-N 415.450 -0.735 50 20 HBGD O=C(NCCC(=O)N1CCN(c2ccccc2)CC1)NNC(=O)C(=O)N1CCCC1 748466292 XXGBUCZUCDDXHS-UHFFFAOYSA-N 416.482 -0.322 50 20 HBGD NS(=O)(=O)c1cc(C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)co1 757627411 GLMMWJPFROQTRQ-UHFFFAOYSA-N 421.479 -0.100 50 20 HBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)n[nH]1 763119264 LEPPITXXEPWQAW-SNVBAGLBSA-N 406.424 -0.820 50 20 HBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNS(=O)(=O)C[C@H]1CCCCO1 765119145 QYZKVLIDRLNMCF-QGZVFWFLSA-N 424.523 -0.036 50 20 HBGD COc1ccnc(NNC(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)n1 769478648 JIMBHYHKYLBKDM-UHFFFAOYSA-N 400.399 -0.067 50 20 HBGD CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1 770098590 KSURLZMPVXWOLV-AWEZNQCLSA-N 410.452 -0.174 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2cc(-n3ccnc3)cs2)n(C)c1=O 783855590 KCEUQFPUQMRSFU-UHFFFAOYSA-N 412.435 -0.169 50 20 HBGD CC(C)n1nc(C(=O)NNC(=O)CN(C)S(=O)(=O)N(C)C)c2ccccc2c1=O 816805870 KPIBCMMOAMCSQX-UHFFFAOYSA-N 424.483 -0.523 50 20 HBGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1nc(N)nc(N2CCOCC2)n1 816828760 OBIXIFPRSVFZOG-JTQLQIEISA-N 405.390 -0.342 50 20 HBGD Cn1c(=O)c2cc(C(=O)NNC(=O)COc3ccc(F)cc3)n(C)c2n(C)c1=O 919689236 DPMVNIXTCFTWRJ-UHFFFAOYSA-N 403.370 -0.445 50 20 HBGD CS(=O)(=O)N1CCC[C@H](NC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)C1 920240471 UQMYNQBXHZPAIZ-LBPRGKRZSA-N 422.467 -0.054 50 20 HBGD Cc1nccnc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1779779603 STLUYBYVEDLJDX-FQEVSTJZSA-N 410.239 -0.778 50 20 HBGD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)n[nH]1 1791290853 PTVJNZXBQQFSEA-DZKIICNBSA-N 406.487 -0.316 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2)[C@H](O)N1CCOCC1 1797804092 ZCVUSVDBGKUCQS-LMWOUKEDSA-N 420.304 -0.988 50 20 HBGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COC(=O)C(F)(F)F)C2 1800976908 LEYSWPCGWAPNPR-DTHBNOIPSA-N 416.780 -0.065 50 20 HBGD COCCn1nccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](Cl)COC 1800977751 FEWDXSRGIMHULQ-HLPPOEQASA-N 414.890 -0.014 50 20 HBGD O=C(CN1C(=O)CNC1=O)N1CCC2(CCCN(C(=O)[C@@H](O)CCl)C2)CC1 1805517604 KENMNAICMKEYQI-LBPRGKRZSA-N 400.863 -0.631 50 20 HBGD CN1CCN(CC(=O)NC[C@@H]2CCN(C(=O)[C@@H](O)CCl)[C@@H]2c2cccnc2)CC1 1809599276 MZXFABMOWCGYBB-JENIJYKNSA-N 423.945 -0.066 50 20 HBGD NC(=O)c1nccnc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](O)CCl)CC2 1821033575 XUSPPGOLMCCHHN-VXNVDRBHSA-N 424.870 -0.143 50 20 HBGD NC(=O)CC[C@H](N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](O)CCl)CC1 1826817662 INQDVENFSIWKDM-ZNMIVQPWSA-N 402.923 -0.201 50 20 HBGD CN1CCC(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)CC1 1829996369 OUQJGVXWNDQLCR-LPHOPBHVSA-N 417.934 -0.226 50 20 HBGD O=C(c1nccc2nc[nH]c12)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830729008 ZVZMZXZPHGDRGZ-UGSOOPFHSA-N 423.857 -0.372 50 20 HBGD O=C(CCc1cnccn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830739087 YKSQJQBQXJRANA-MAUKXSAKSA-N 412.874 -0.535 50 20 HBGD O=C(c1cccc(=O)n1O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1833472054 QQTZIOQOTHEJKZ-CJNGLKHVSA-N 403.794 -0.310 50 20 HBGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)COCCO)C2)C1 1834823940 NZNVDTJPOHYWIM-OAHLLOKOSA-N 409.277 -0.763 50 20 HBGD CC(C)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839848248 HOKMCPCPBKOQGN-OAQYLSRUSA-N 418.299 -0.127 50 20 HBGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)COCCO)C2)C1 1839965850 NGKZEJACMWAGAX-CJNGLKHVSA-N 423.304 -0.375 50 20 HBGD CC[C@@H](NC(C)=O)C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1841087525 PREQWFZIESBKMU-OAHLLOKOSA-N 402.455 -0.583 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)CN2CCOC2=O)C1 1841483701 LPNKCKVFNUZXRP-FYJGNVAPSA-N 416.438 -0.224 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)[C@H]2Cc3ccccc3CN2)C1 1843368316 NVLHMBGZEAASJD-HXUWFJFHSA-N 419.290 -0.102 50 20 HBGD Cc1ccc(C)c(OCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 15886340 GQYZFZZAJMHCQK-UHFFFAOYSA-N 414.422 -0.723 50 20 HBGD COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNC(=O)CN3CCCC3=O)C2=O)cc1 726716706 FHRKXVDUDCARSN-LJQANCHMSA-N 417.422 -0.768 50 20 HBGD COc1ccc(C(=O)NNC(=O)CN(C)C)cc1S(=O)(=O)N1CCOCC1 727761596 RSZLCTFDZOWSNJ-UHFFFAOYSA-N 400.457 -0.961 50 20 HBGD COc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)c2c[nH]nc2C)cc1OC 731851653 KJXLBPZNJWLVCY-UHFFFAOYSA-N 411.440 -0.135 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 758033922 BCXAKKJUWUVGCT-ZJUUUORDSA-N 402.860 -0.222 50 20 HBGD CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 764087191 XKBUCDLGCNDMES-GFCCVEGCSA-N 412.468 -0.161 50 20 HBGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)n(Cc2ccccc2)n1 764228227 WDAMXSPSPQZKQG-LBPRGKRZSA-N 422.467 -0.737 50 20 HBGD CNS(=O)(=O)CC(=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 766669740 RTSSZKCTYXIDEI-UHFFFAOYSA-N 417.919 -0.846 50 20 HBGD Cc1ccc(S(=O)(=O)NCCNC(=O)NNC(=O)C(=O)N2CCCC2)s1 772631122 QMQVRVURJDUJHQ-UHFFFAOYSA-N 403.486 -0.712 50 20 HBGD CCOCCS(=O)(=O)NCC(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772889027 NTENYMSCJGAXIK-UHFFFAOYSA-N 420.875 -0.941 50 20 HBGD COCCCNC(=O)NNS(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1 780383541 JYTPDIYUMJUEOD-UHFFFAOYSA-N 406.486 -0.344 50 20 HBGD CN1CCN(C)[C@H](CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 1251790198 QALMXLXZROUWQR-CQSZACIVSA-N 412.516 -0.873 50 20 HBGD Cc1ncncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1788971555 BJXOGDNAEXACIW-XIRDDKMYSA-N 418.498 -0.249 50 20 HBGD O=C([C@H](O)CCl)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(F)(F)C(F)(F)C(=O)O 1793728463 RGQIVQXQVFSKDW-BZNPZCIMSA-N 420.743 -0.469 50 20 HBGD C[C@]1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)CC1(F)F 1795736818 ISMSPXOLOWHMOZ-ZFHGCVPZSA-N 408.210 -0.385 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@@H]1CCOC1)C2)c1ccc(B(O)O)cc1 1795737051 YLFCQEPMNCGDPC-DFYYWFRZSA-N 416.283 -0.614 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(F)n1 1798073350 BJSPEUKZKGXORI-IVWMJMPLSA-N 407.446 -0.203 50 20 HBGD CCNC(=S)NCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1801241165 LTVLAGYQCJISFV-MUJYYYPQSA-N 418.328 -0.898 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)[C@@H]2C=CCN2)[C@@H]1c1cccnc1 1813071602 USIRUHPJKIKRMN-ABSDTBQOSA-N 414.510 -0.012 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)C3(C)COC3)CC2)CC1 1833143154 DYPBVPFMSIJVOV-UHFFFAOYSA-N 423.558 -0.033 50 20 HBGD CN(C)C(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1835435909 WRYFPGUPBOFPNG-JKSUJKDBSA-N 410.298 -0.233 50 20 HBGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cnnn3)CCO2)C1 1836142298 XIQVJJYDYXHBCS-BBRMVZONSA-N 400.867 -0.463 50 20 HBGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1840030661 RUEHKTIXTZUAOW-JRPNMDOOSA-N 420.260 -0.665 50 20 HBGD COC(=O)[C@H]1CC[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cccc(B(O)O)c2)C1 1847554621 COGODWXOKFSFOT-FZCLSBEQSA-N 414.267 -0.229 50 20 HBGD C[C@H](C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1)S(C)(=O)=O 728216219 UZRGQPAJVZZPFI-GFCCVEGCSA-N 404.514 -0.501 50 20 HBGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2cccc(OCC(N)=O)c2)n1 728722923 JXHRTCVWWABTPN-UHFFFAOYSA-N 406.420 -0.137 50 20 HBGD COCCCNC(=O)[C@@H](C)N1CCN(CC(=O)NNC(=O)c2ccc(F)cc2)CC1 728931350 ARHMPWNINSMGPQ-OAHLLOKOSA-N 423.489 -0.255 50 20 HBGD Cc1n[nH]cc1C(=O)NNC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 735515855 BCNZRHYXUNLCDX-UHFFFAOYSA-N 409.424 -0.381 50 20 HBGD CCN1CCN(C[C@@H](C)CNC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CC1 745861402 CKIPJFWPQRTZLC-HNNXBMFYSA-N 415.502 -0.120 50 20 HBGD CSCC[C@H](C(=O)NNC(=O)C(=O)NC(C)C)N1C(=O)[C@H]2CCCC[C@H]2C1=O 746488728 GZIRAEKTMPPQAZ-FRRDWIJNSA-N 412.512 -0.045 50 20 HBGD O=C(NNC(=O)c1c[nH]nc1-c1ccc2c(c1)OCO2)N[C@@H]1CCS(=O)(=O)C1 751462124 YKGMYZMENRBECL-SNVBAGLBSA-N 407.408 -0.064 50 20 HBGD COc1ccccc1C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 763044071 KBCRNTCQSFRHPX-NSHDSACASA-N 420.447 -0.078 50 20 HBGD CC(=NNC(=O)[C@@H](C)NS(C)(=O)=O)c1c(C)nn(CCS(C)(=O)=O)c1C 763172487 NLHUNELATXWLGN-LLVKDONJSA-N 407.518 -0.678 50 20 HBGD CC(C)n1ncc2cc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)ccc21 764225606 BDXHVBMLXGYBSF-JTQLQIEISA-N 410.456 -0.359 50 20 HBGD COC(=O)NNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 765842825 RGGYJWMVUNCUFD-UHFFFAOYSA-N 416.431 -0.174 50 20 HBGD COCCNC(=O)CN1CCN(CC(=O)NNC(=O)Cc2ccccc2C)CC1 766838370 PUQHBWJVDDXQNR-UHFFFAOYSA-N 405.499 -0.935 50 20 HBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1cccn2c(O)nnc12 780984216 UGOZHOHVBSVGJT-UHFFFAOYSA-N 423.433 -0.346 50 20 HBGD CCOC(=O)c1cc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)[nH]c1C 799473879 BZXVDWTZVCMGLS-UHFFFAOYSA-N 408.440 -0.465 50 20 HBGD C[C@@](O)(Cn1ccccc1=O)C(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1 802068539 KQUUOFRVQLZBPX-QGZVFWFLSA-N 408.436 -0.144 50 20 HBGD COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NNc3nccnc3OC)c2)nn1 812980879 DFJAJJXBCJDYDT-UHFFFAOYSA-N 412.366 -0.066 50 20 HBGD CNS(=O)(=O)c1cccc(NC(=O)NNC(=O)[C@H]2CCc3nncn3C2)c1C 814670679 CILWKBPUFRFEQL-NSHDSACASA-N 407.456 -0.090 50 20 HBGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1nc(N)nc(N2CCOCC2)n1 816818159 SPWXUUONXIPVLY-SNVBAGLBSA-N 405.390 -0.342 50 20 HBGD CN(C)N(C(=O)CCC(=O)N1CCN(c2ncccn2)CC1)[C@H]1CCS(=O)(=O)C1 1324087377 WILGKJGSMLEGDR-HNNXBMFYSA-N 424.527 -0.602 50 20 HBGD O=C(CN1CCOCC1)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781327880 CLHMJPKBRJHQGO-HIFRSBDPSA-N 408.268 -0.161 50 20 HBGD C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21)C1(O)CCC1 1783514376 BQOIPGHKENLWTG-QAETUUGQSA-N 424.542 -0.110 50 20 HBGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NNC(=O)C1)C2 1792870386 GFYWWSIDLDIPNQ-ORXSELOVSA-N 401.261 -0.517 50 20 HBGD C[Si](C)(C)OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1C(=O)C=CC1=O 1793615680 XZQYPBVQTGHFPG-HBCWATKFSA-N 423.542 -0.257 50 20 HBGD CN[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CBr)C2)C(=O)O 1795641558 RZHCYENIAIAJIE-ROEYZRMQSA-N 420.304 -0.330 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccncc1F)C2)c1ccc(B(O)O)cc1 1795734471 QBMLPWWJPXEMFO-ZSBFGKGUSA-N 413.214 -0.583 50 20 HBGD Cn1cc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)cn1 1796218310 ABOCNPUAXHWZNA-REPLKXPHSA-N 410.283 -0.016 50 20 HBGD C[C@@H](CBr)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(CCO)CCO 1801732556 YIFFOXMVKNLTBJ-XQLPTFJDSA-N 420.348 -0.058 50 20 HBGD CN(C)CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cnccc1C(=O)NN)CC2 1813670861 JMZSOHIWCKYEQH-SNVBAGLBSA-N 417.495 -0.071 50 20 HBGD O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830730625 BPVCFFVGARSMNG-BLLLJJGKSA-N 416.818 -0.407 50 20 HBGD O=C(C#CC1CC1)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1833426394 OUEDZZPKTNQDKF-UHFFFAOYSA-N 423.322 -0.035 50 20 HBGD N#CC1(C(=O)NC2CCN(C3CCN(C(=O)c4ccc(B(O)O)cc4)CC3)CC2)CC1 1834599692 LGVVGARSZZKJFU-UHFFFAOYSA-N 424.310 -0.145 50 20 HBGD C[C@@H](CN)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834657904 NHOPCDHUEPLYRB-HNNXBMFYSA-N 416.331 -0.854 50 20 HBGD Cc1nn[nH]c1C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834822350 IGBUCFSTDWKFAP-OAHLLOKOSA-N 416.276 -0.032 50 20 HBGD CCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939978 RJONROIRUFKSLB-NRFANRHFSA-N 418.299 -0.127 50 20 HBGD O=C(c1cc2n(n1)CCC2)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837088831 QADNMLXFJPMPRD-YJBOKZPZSA-N 412.874 -0.501 50 20 HBGD Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)n[nH]1 1837583402 RAKULBLXJWERDA-WMLDXEAASA-N 400.863 -0.683 50 20 HBGD O=C(CN1CCOCC1)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840188231 YDXXYVVTXQDADN-INIZCTEOSA-N 410.298 -0.421 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2ncc(Cl)cn2)C1 1842324957 NGRMPQXLFFNJPE-UHFFFAOYSA-N 400.631 -0.059 50 20 HBGD O=C([C@H](F)Br)N1CC2(CCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)C1 1843235366 RPMJZLSTOYHURW-VIFPVBQESA-N 414.195 -0.680 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)[C@@H]1CCC(=O)NC1)C2 1843415044 DTVNHIILSQBKTP-JMKVTYIUSA-N 414.466 -0.150 50 20 HBGD Cc1nn(C)c(C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)c1F 1844263813 XWRWIUOQQABOJF-UHFFFAOYSA-N 415.429 -0.003 50 20 HBGD CNc1nsnc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnccc1C(=O)NN 1847259926 ACSGBHJOFYMORS-RYUDHWBXSA-N 416.467 -0.293 50 20 HBGD O=C(NNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1)N[C@H]1CCS(=O)(=O)C1 732755829 XTHTYQSBFWYVBG-MJBXVCDLSA-N 400.501 -0.067 50 20 HBGD C[C@H](C(=O)OCC(=O)NNC(=O)c1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 745442878 ZCRKVMSIDNIDMD-ANZHMPLFSA-N 415.402 -0.458 50 20 HBGD COc1ccc(C(=O)NNC(=O)CN(C)C[C@H](O)CN2CCOCC2)cc1OC 751484903 IOCNIPPAXLYXDP-HNNXBMFYSA-N 410.471 -0.910 50 20 HBGD CNC(=O)CCOC1CCN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1 752338572 RZASYZAYJLPRKU-UHFFFAOYSA-N 407.427 -0.027 50 20 HBGD CCOc1ccccc1OCC(=O)NNC(=O)CNS(=O)(=O)c1cn(C)cn1 756080832 NPYBOEMZAWYOLY-UHFFFAOYSA-N 411.440 -0.677 50 20 HBGD Cc1ccc(C(=O)NNC(=O)COC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)cc1 756745193 COSNDFWDQZDIGX-LBPRGKRZSA-N 423.451 -0.600 50 20 HBGD CCCS(=O)(=O)Nc1cccc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 758048272 RLTAVQICVAOXOS-JTQLQIEISA-N 406.486 -0.463 50 20 HBGD CC(C)CCOc1ccc(C(=O)NNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)cc1 763768977 ZLUDCEZMUHQGOP-GFCCVEGCSA-N 414.484 -0.334 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cnn(-c2ccccc2F)c1 764225681 CAIUWPLDUNJSGB-VIFPVBQESA-N 412.403 -0.965 50 20 HBGD Cc1nc(-c2cccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c2)oc1C 764228204 VWLFTUBFZAPZGX-JTQLQIEISA-N 423.451 -0.018 50 20 HBGD Cc1noc(C)c1S(=O)(=O)NCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 767934353 SAJPYZBOJXGOAD-ZDUSSCGKSA-N 410.408 -0.443 50 20 HBGD COCCN1C[C@@H](C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1=O 914460135 TXZCLZCYBNYDJI-JTQLQIEISA-N 418.859 -0.757 50 20 HBGD O=C(NC[C@H]1COC2(CCOCC2)O1)NNC(=O)C1CCN(c2ncccn2)CC1 1116494884 LVNXOPRYLANJKZ-HNNXBMFYSA-N 420.470 -0.055 50 20 HBGD CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)O1 1320041522 MRDZFYBQOFICFB-JSGCOSHPSA-N 412.468 -0.330 50 20 HBGD COCCO[C@H]1COCC[C@@H]1NC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 1320566265 IGFVKOVIXVFGMA-GJZGRUSLSA-N 419.438 -0.302 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnncc3C(=O)O)C2)C1 1779527915 JZHWQMJJPATJPZ-CXAGYDPISA-N 412.830 -0.128 50 20 HBGD C[C@H](Cn1cccn1)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783936499 OJVOTCSYGPUPRJ-UZLBHIALSA-N 420.514 -0.278 50 20 HBGD C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786980172 RDZGIYWDOSSDER-CBVHJVASSA-N 416.283 -0.449 50 20 HBGD Cc1n[nH]cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1789313567 IBBJKUOCGUGWSR-WBAXXEDZSA-N 412.255 -0.695 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ccc(F)cn3n1)C2)[C@@H](O)CCl 1792984358 YORDLBNXYCMACS-QPPBUOOMSA-N 411.821 -0.329 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1[C@H]3SC=C[C@H]31)C2)c1ccc(B(O)O)cc1 1795736742 IRWLNPJCHSZTNT-BONHGPHZSA-N 414.292 -0.555 50 20 HBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCNC(=O)C1 1802442649 LIVOXSRNMMOKAO-YIYPIFLZSA-N 414.466 -0.537 50 20 HBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)[C@@H]1C=CCN1 1817982926 OLRFLCVVGQQFSP-RDJZCZTQSA-N 409.255 -0.077 50 20 HBGD CN1CCC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)CC1 1829885541 HZPNHQRHIXMURQ-MAUKXSAKSA-N 403.907 -0.616 50 20 HBGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1 1831649753 BLYBGEKZQQYYLS-SJKOYZFVSA-N 400.863 -0.274 50 20 HBGD O=C(NC1CCN(C2CCN(C(=O)c3cc(CO)on3)CC2)CC1)[C@H](O)CCl 1833313540 KWLSJLVAXURGMS-MRXNPFEDSA-N 414.890 -0.048 50 20 HBGD O=C1CC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)N1 1835124637 KSFJQHWEVLPKTD-WBIUFABUSA-N 422.251 -0.588 50 20 HBGD CCNC(=S)NCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](Cl)CC)C2)C1 1839655248 NPANMSQLTZOKNS-CXAGYDPISA-N 420.963 -0.056 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 1840153798 AWOQCQODTYWLEJ-MAUKXSAKSA-N 413.858 -0.356 50 20 HBGD Cn1cccc(C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)c1=O 1841720729 CDTJYVJQNZTDSV-UHFFFAOYSA-N 410.434 -0.485 50 20 HBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCCC12CN(C(=O)CNC(=N)N)C2 1841924528 WREGOIMCTGFMGE-NSHDSACASA-N 416.910 -0.195 50 20 HBGD O=C(COC(=O)CNC(=O)c1ccccc1)NNC(=O)[C@H]1COc2ccccc2O1 5715268 LLNYLQXPNLAWOZ-MRXNPFEDSA-N 413.386 -0.053 50 20 HBGD Cn1c(=O)c2cc(C(=O)NNC(=O)COc3ccccc3O)n(C)c2n(C)c1=O 730779964 GXMBHDARODJJOA-UHFFFAOYSA-N 401.379 -0.879 50 20 HBGD Cn1ncc2c(N3CCN(CC(=O)NNC(=O)c4ccc(C#N)cc4)CC3)ncnc21 744385454 LZCAQLNRRXJUGX-UHFFFAOYSA-N 419.449 -0.182 50 20 HBGD C[C@H]1CN(S(=O)(=O)N2CCN(CC(=O)NNC(=O)C(C)(C)C)CC2)C[C@@H](C)O1 744387149 LJAHPXKXPRNGDE-OKILXGFUSA-N 419.548 -0.849 50 20 HBGD O=C(NNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCOCC1 745834671 WFMWAPTZQCVAHP-UHFFFAOYSA-N 418.497 -0.294 50 20 HBGD NS(=O)(=O)c1cnn(CC(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)c1 748428511 RNAAKXTZPIQYOS-UHFFFAOYSA-N 415.815 -0.812 50 20 HBGD Cc1sc2nc(CC(=O)NN=Cc3c(N)n(C)c(=O)n(C)c3=O)nc(O)c2c1C 749812593 PIMLCGCTPCXWPM-UHFFFAOYSA-N 417.451 -0.314 50 20 HBGD CNC(=O)Cn1nc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)cc1C 763867886 YNBIUFZEQJRJSG-NSHDSACASA-N 420.401 -0.370 50 20 HBGD COc1cc(C)c(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1OC 764226628 JPTYCCQJRASELS-SECBINFHSA-N 402.429 -0.964 50 20 HBGD COC(=O)C1=NOC2(CCN(CC(=O)NNC(=O)Cc3nc(C)cs3)CC2)C1 771780521 XUEFDANJYGJYKA-UHFFFAOYSA-N 409.468 -0.075 50 20 HBGD CCOC(=O)c1cnc(NNC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)nc1C 778421422 MQWXGDHYHDPNBG-GBOPCIDUSA-N 417.422 -0.043 50 20 HBGD NS(=O)(=O)c1cccc(S(=O)(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 817938845 ULKSIPRYFRYHJJ-AWEZNQCLSA-N 413.433 -0.517 50 20 HBGD COc1ccc(C(=O)NNC(=O)COC(=O)Cc2nc3ncccn3n2)cc1OC 919145867 GOVLVIJFPNKMGQ-UHFFFAOYSA-N 414.378 -0.312 50 20 HBGD C[C@@H](C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12)S(=O)(=O)C1CCOCC1 1324020702 COWOAKDAOMELBF-NSHDSACASA-N 422.463 -0.323 50 20 HBGD O=C(CSCC(=O)N1CCOCC1)NNC(=O)C1CCN(c2ncccn2)CC1 1338560938 GCIXQEKEFFFMFB-UHFFFAOYSA-N 422.511 -0.568 50 20 HBGD CC[C@H](C)[C@H](N)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779030703 GPLCNZPRJYZDOH-RISOHXOYSA-N 418.498 -0.498 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(N)=O)C1 1781771899 JASPEOHYMCFPHJ-AUUYWEPGSA-N 411.503 -0.861 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)[C@@H]3[C@@H]4C=CS[C@@H]34)C2)C1 1782736241 MJZKOYJWVWBCPB-XLSPSMHOSA-N 414.292 -0.315 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3cnncc3C(=O)O)CCO2)C1 1783878079 UZUPWPINRBCVSL-DYVFJYSZSA-N 412.830 -0.128 50 20 HBGD CC(=O)N1CCN(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](F)Cl)C[C@@H]32)CC1 1788246929 GXCPHBDXFPUICX-JKQORVJESA-N 418.897 -0.335 50 20 HBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CC3(F)F)C[C@@H]21 1788611168 NJEDQQBDSOTDKI-HJPIBITLSA-N 423.420 -0.066 50 20 HBGD CCN(C)[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1790551109 CDDDEFNFBCNZDR-CBVHJVASSA-N 417.315 -0.700 50 20 HBGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)O1 1793415595 DZPKXDJIRHSYRT-SVNGYHJRSA-N 404.261 -0.285 50 20 HBGD Cc1ncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)s1 1796732731 RSEVQFQCZXVWSF-XOIINTDNSA-N 415.280 -0.352 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](C)NC=O 1800092049 NBQFRISBLHKFCN-STEFENFFSA-N 402.455 -0.107 50 20 HBGD O=C(NC[C@@H]1CCN(C(=O)[C@@H]2C=CCN2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807377178 ZAKKOOWHLBCHIL-IHPCNDPISA-N 420.278 -0.391 50 20 HBGD NC(=O)[C@H](N)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](O)CCl)CC2 1815053885 SSCOGYVOIVATRF-NQMVMOMDSA-N 403.892 -0.752 50 20 HBGD O=C(c1ccc2nn[nH]c2c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830736406 SIMWEJQYCMBMNP-QAPCUYQASA-N 423.857 -0.372 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC=CO1)CCO2 1837419178 UVBYUZIKEQQQRH-JXFKEZNVSA-N 424.498 -0.492 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)C1(F)CCC1)CCO2 1840619844 ANLJRCMJCNSXOW-IBGZPJMESA-N 420.246 -0.671 50 20 HBGD C[C@H](C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1)N1CCN(C)CC1 728214415 NSBSLNQMZIQFPA-MRXNPFEDSA-N 424.571 -0.298 50 20 HBGD CNS(=O)(=O)c1csc(C(=O)NNC(=O)CNC(=O)c2cccs2)c1 748709300 OXPHALYIFMAGHJ-UHFFFAOYSA-N 402.479 -0.091 50 20 HBGD CN1CCN(S(=O)(=O)N2CCN(C(=O)NNC(=O)C3CCCC3)CC2)CC1 753355788 OLMZCGFWZPMWGV-UHFFFAOYSA-N 402.521 -0.973 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(CS(C)(=O)=O)c(F)c1 757675981 QCEVQHPMJPHXFX-MRVPVSSYSA-N 410.449 -0.539 50 20 HBGD CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 764615839 LTXKYGYVOXATQY-NEPJUHHUSA-N 405.473 -0.406 50 20 HBGD C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNc1cccc(S(C)(=O)=O)c1 776541210 KSQMCVIGUQZDML-JTQLQIEISA-N 401.470 -0.366 50 20 HBGD CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)NNC(=O)CNC(=O)OC(C)(C)C)C1=O 778687318 BYZWQRPRPMDTEP-DYZYQPBXSA-N 412.447 -0.438 50 20 HBGD Cn1nnnc1-c1cccc(S(=O)(=O)NNC(=O)[C@@H]2CCc3nncn3C2)c1 793449301 ZOQIWGQNELLSSP-LLVKDONJSA-N 403.428 -0.959 50 20 HBGD Cc1ccc(C)c(S(=O)(=O)NCC(=O)NNC(=O)CNC(=O)c2cccnc2)c1 810572068 IIJNJRPJZTVHCO-UHFFFAOYSA-N 419.463 -0.446 50 20 HBGD COc1cc(Cl)cc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 815827274 RTQOQSWSYXAZCH-UHFFFAOYSA-N 420.813 -0.443 50 20 HBGD CCN1C(=O)c2ccc(C(=O)NNC(=O)[C@H]3CCc4nncn4C3)cc2S1(=O)=O 816876883 GBANEAQIEJRNEY-NSHDSACASA-N 418.435 -0.534 50 20 HBGD C[C@H](NC(=O)c1ccoc1)C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 917317800 OAVNSLBACWTGIN-NHYWBVRUSA-N 417.374 -0.072 50 20 HBGD COCCNC(=O)C1CCN(CC(=O)NNC(=O)c2ccc(OC)c(OC)c2)CC1 1253288232 VPTAHHFHIRMWFJ-UHFFFAOYSA-N 422.482 -0.061 50 20 HBGD CN(CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1)C(=O)C(=O)O 1781332987 GQUPJBVRJOKNOG-IINYFYTJSA-N 424.223 -0.950 50 20 HBGD CCNC(=S)NCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](Cl)COC)C2)C1 1783883987 YGLAPZBJGLOILS-LRDDRELGSA-N 406.936 -0.446 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CC[C@H](O)CC3)C2)C1 1784135839 TVXGEEZFOPOXDQ-FTRWYGJKSA-N 410.515 -0.260 50 20 HBGD CC(C)O[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984240 TXLGYYXQOITSEV-XIVBQZFQSA-N 418.299 -0.227 50 20 HBGD Cc1oncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984453 HXZNPRXKWVLQQB-WBAXXEDZSA-N 413.239 -0.430 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)c1nc[nH]c1[N+](=O)[O-] 1787476220 APWHJQVHARGWJS-NAKRPEOUSA-N 401.807 -0.489 50 20 HBGD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)n[nH]1 1789304713 IKQDTXAMZZEGJQ-ZVZYQTTQSA-N 412.255 -0.695 50 20 HBGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)N1)C2 1792867707 JVAAAKOIORCHDW-VXUPGSCNSA-N 402.289 -0.114 50 20 HBGD COc1nccnc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1794683440 PQGWBKUIFLYRNW-MUJYYYPQSA-N 410.239 -0.269 50 20 HBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Cl)C2 1797786297 HWARBHDEIFNEGP-XVIXHAIJSA-N 408.810 -0.395 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)[C@@H]1CC(c2ccccc2)=NN1 1800153791 ULEOGRAYFDBZIG-YFUQURRKSA-N 420.897 -0.058 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Br)[C@@H](O)N1CCOCC1 1800158534 PCIOOCHQWUHLAW-NVGYGPBWSA-N 408.268 -0.034 50 20 HBGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1ncon1 1811179045 OEBKNDHXHLKXJD-NVXWUHKLSA-N 421.222 -0.222 50 20 HBGD COc1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cn1 1830725081 LBOCGWFVFTZLOZ-DYVFJYSZSA-N 414.846 -0.845 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCOC3=O)CCO2)C1 1831023406 KSYDCRFXTASZTL-SUMWQHHRSA-N 419.862 -0.851 50 20 HBGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1 1837275071 DGDRYYOIBHAFCV-SJCJKPOMSA-N 414.894 -0.207 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 1839152395 YBWWTCLFOXWLHJ-DQYPLSBCSA-N 422.309 -0.042 50 20 HBGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(C)=O)C2)C1 1839966812 QLLZFRLXAHTSSY-XJKSGUPXSA-N 420.304 -0.248 50 20 HBGD O=C(c1cc(Cl)ncn1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011783 RSLKLOXLPFXQNS-UHFFFAOYSA-N 400.631 -0.059 50 20 HBGD O=C([C@H]1CCc2nc[nH]c2C1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843015209 UCCOCUPFLJJHFQ-HNNXBMFYSA-N 408.267 -0.288 50 20 HBGD COc1ccnc(NNC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)n1 733891853 UKBOEQNPYGWZJA-JTQLQIEISA-N 406.424 -0.371 50 20 HBGD CON(C)S(=O)(=O)c1cc(C(=O)NNC(=O)C(=O)NC(C)C)ccc1Cl 744447707 NDQGVJWOGJCDGA-UHFFFAOYSA-N 406.848 -0.193 50 20 HBGD COC(=O)CCOc1ccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1 756278748 MRUIEFHUTPFIIK-SNVBAGLBSA-N 402.429 -0.281 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CCn1c(S)nc2ccccc2c1=O 758056097 RMCXRUSDDJAMQS-SECBINFHSA-N 413.481 -0.840 50 20 HBGD O=C(NNC(=O)c1ccc2c(c1)OCO2)C(=O)Nc1cc(-n2cnnn2)ccc1F 763549404 ZUMJEDMRNAONGU-UHFFFAOYSA-N 413.325 -0.070 50 20 HBGD COCCc1cc(NC(=O)C(=O)NNC(=O)COc2ccc(OC)cc2)n(C)n1 763662712 ZRWXJCKHRHDNBX-UHFFFAOYSA-N 405.411 -0.218 50 20 HBGD CCOC(=O)c1cc(C)sc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 764225598 AYTCNAPCJPVAOT-QMMMGPOBSA-N 420.469 -0.743 50 20 HBGD COc1ccc(C(=O)NNC(=O)C(=O)Nc2c(OC)ncnc2N(C)C)c(OC)c1 764284419 LTKLDOJWPCENQZ-UHFFFAOYSA-N 418.410 -0.032 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc3cc(F)ccc3o2)n(C)c1=O 765727764 MVPAADJQYIDFQC-UHFFFAOYSA-N 414.353 -0.220 50 20 HBGD O=C(COC1CCOCC1)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766637056 WHPGYHCRXQLPQU-UHFFFAOYSA-N 404.467 -0.213 50 20 HBGD CC(C)(C)OC(=O)NCC(=O)NCC(=O)NNC(=O)Cn1cnc2ccccc21 766755808 KAKOWHFODMUERK-UHFFFAOYSA-N 404.427 -0.175 50 20 HBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)Cn2cnc(C#N)n2)c1 769036783 IVSSNWHRKISTHN-UHFFFAOYSA-N 405.440 -0.359 50 20 HBGD O=C(NNC(=O)c1cccnc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 776062679 ZCPSCIZDLUSNJU-UHFFFAOYSA-N 406.424 -0.036 50 20 HBGD N#Cc1ccc(C(=O)NNC(=O)CN2CCC[C@@H](N3CCCS3(=O)=O)C2)cc1 789375402 WEDKANMWFLHZNK-MRXNPFEDSA-N 405.480 -0.181 50 20 HBGD COCCS(=O)(=O)CC(=O)NNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 819657385 CSIUZFPVIJLJAS-GFCCVEGCSA-N 407.489 -0.158 50 20 HBGD Cc1nc2ccccn2c1C(=O)NNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 914830723 SZOHSZVBGSFBEZ-QWHCGFSZSA-N 419.463 -0.561 50 20 HBGD O=C(NNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)c1ccc(Cl)cc1O 918358974 FXNXUGXTWVSJLI-ONGXEEELSA-N 415.855 -0.158 50 20 HBGD Cn1cccc1C(=O)N1CCN(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CC1 918779343 NRAJWNUKUSDJPB-UHFFFAOYSA-N 423.437 -0.187 50 20 HBGD CCN=c1nc(NCC)n2c(SCC(=O)NNC(=O)c3cccn3C)n[nH]c2n1 919692420 HFJSNPCGPLIKLE-UHFFFAOYSA-N 418.487 -0.303 50 20 HBGD CCO/C=C/C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779034265 PXLPHXHQPCGYIR-QFXLTXBMSA-N 403.439 -0.321 50 20 HBGD CCNC(=O)N[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2 1779315388 MKZXWTWQNZFQAV-KYZVSKTDSA-N 418.922 -0.192 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(CN(C(=O)CCSC(=N)N)CCO2)C1 1783934033 UEYUDHNJIUFSHK-KRWDZBQOSA-N 414.532 -0.794 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCCO3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979930 QJNDZZAEPZLJJA-OWLYRPNTSA-N 402.256 -0.861 50 20 HBGD CC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1789859926 FRJWUSMMLZGLFV-HJWJTTGWSA-N 408.691 -0.023 50 20 HBGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)n3cnnn3)C[C@@H]21 1791256353 NFOJBKILABGXGY-PEDHHIEDSA-N 400.867 -0.532 50 20 HBGD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1)n1cncn1 1791293035 FYJUQUSKCGLEBT-VGWMRTNUSA-N 421.502 -0.808 50 20 HBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1C(=O)C=CC1=O 1793620407 WNGSSBBVOQBHGM-LKQDWFRTSA-N 413.858 -0.855 50 20 HBGD CCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)cn1 1795732536 RLBHNWNIAWXBDL-XEMDLRDOSA-N 423.278 -0.159 50 20 HBGD NC(=O)c1ncccc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796188328 PQONYOBHJJKZBY-MUJYYYPQSA-N 422.250 -0.574 50 20 HBGD O=C(c1ccncc1F)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830727777 DSIDGJANXRZAMG-YOEHRIQHSA-N 401.822 -0.110 50 20 HBGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cnnn3)C2)C1 1831646168 IGPJQDLZMOTYLW-CJNGLKHVSA-N 400.867 -0.463 50 20 HBGD O=C(NC1CCN(C2CCN(C(=O)[C@H](F)Cl)CC2)CC1)[C@H](O)N1CCOCC1 1835764095 LHTVPYWXZJGJQR-YJBOKZPZSA-N 420.913 -0.257 50 20 HBGD C=CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](Cl)COC)C2)C1 1837702396 AFCRKLSLTXMMTB-LBTNJELSSA-N 417.890 -0.613 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(F)CC1)CCO2 1839758213 FGWRMDDUDCIDIS-QGZVFWFLSA-N 400.451 -0.682 50 20 HBGD Cc1nn(C)c(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)c1F 1842299220 WKZZFZGECSIRBE-UHFFFAOYSA-N 400.219 -0.322 50 20 HBGD O=C1COc2ccc(S(=O)(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)cc2N1 24260456 PYOZRYGVUOKNQM-UHFFFAOYSA-N 415.391 -0.384 50 20 HBGD C#CCNS(=O)(=O)c1cccc(C(=O)NNC(=O)CNC(=O)c2ccco2)c1 725740945 LEZRMVLUWVPKPH-UHFFFAOYSA-N 404.404 -0.618 50 20 HBGD CCn1c(NNC(=O)[C@@H]2CCCN2C(=O)CNC(C)=O)nc2ccccc2c1=O 728515175 DYKZNVPZCLQIPK-HNNXBMFYSA-N 400.439 -0.013 50 20 HBGD O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CCN(CCN2CCOCC2)C1 734686826 WGGYOAFTOJXPOB-OAHLLOKOSA-N 406.443 -0.055 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NNC(=O)C(=O)N2CCCC2)s1 748240030 AAQUCQOQYDRFKX-GFCCVEGCSA-N 414.509 -0.021 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)c1cccc(S(=O)(=O)NC2CC2)c1 751204100 CRQBDMSCKHHCDO-UHFFFAOYSA-N 406.420 -0.089 50 20 HBGD CC(C)(C)C(=O)NCC(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765734670 CETUUZUCMLGRHW-UHFFFAOYSA-N 403.483 -0.246 50 20 HBGD NC(=O)[C@H]1CCCN1C1CCN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1 767459786 CFLHCUXFZPCTCL-MRXNPFEDSA-N 418.454 -0.230 50 20 HBGD COc1ccc(C(=O)NNC(=O)COC(=O)c2nn(C)cc2[N+](=O)[O-])cc1OC 772058206 LAONBKQNLKKBFC-UHFFFAOYSA-N 407.339 -0.037 50 20 HBGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NCC2CN(S(C)(=O)=O)C2)nc1 779696763 TUWGURBPKSJCSS-UHFFFAOYSA-N 420.517 -0.714 50 20 HBGD Cc1c(/C=C(/C#N)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc(C#N)n1C 798119341 VURNMIAJDMPYFS-BOPFTXTBSA-N 424.461 -0.358 50 20 HBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@H]1CCCS(=O)(=O)C1 816828071 QCBKIUAVHZXIIB-NSHDSACASA-N 402.498 -0.126 50 20 HBGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@H]2CC23CCS(=O)(=O)CC3)n1 1326681614 ZQVXYOVBAPERBM-LLVKDONJSA-N 415.493 -0.100 50 20 HBGD CN1CCN(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@H](O)CCl)C3)CC1 1778845984 IPFPOBBUYJIUQF-GPMSIDNRSA-N 416.950 -0.653 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3ccc(O)nc3)C2)C1 1780254261 MVFZTOULKMMKEW-FQEVSTJZSA-N 411.223 -0.776 50 20 HBGD CC(=O)N/C(C)=C/C(=O)N1CC[C@]2(C1)CN(C(=O)CCC(=O)NN(C)C)CCO2 1782631686 XAWFXSXVGPPKHV-VUVZNRFTSA-N 409.487 -0.771 50 20 HBGD CC(C)N(C)CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1784773015 KUDSPRMNYLEPOS-HXUWFJFHSA-N 418.498 -0.531 50 20 HBGD COC1(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)CCC1 1784865097 IWYAYVCCQRCMIN-OAQYLSRUSA-N 416.283 -0.231 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncccn3)[C@H]2C1 1786109731 CEHAGBJGZIHDMW-KKUMJFAQSA-N 404.471 -0.557 50 20 HBGD C=CCSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786983739 XZOUJKCHLNTVSV-SZMVWBNQSA-N 418.324 -0.121 50 20 HBGD COC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)C1 1792964781 MTOXGEHKKZRLKY-QAIIKZMUSA-N 402.875 -0.235 50 20 HBGD Cn1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Cl)C3)C2)cccc1=O 1833872156 UDYROHAZKYEIAF-PBHICJAKSA-N 401.822 -0.010 50 20 HBGD Nc1n[nH]c(CCC(=O)N2CCO[C@]3(COCCN(C(=O)C(Cl)Cl)C3)C2)n1 1837278439 VZLCPHJRUQIHNO-OAHLLOKOSA-N 421.285 -0.420 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCO2)C1 1839079250 HLADNSMESKVBII-WRFANHODSA-N 424.325 -0.598 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncnn3C)C2)C1 1840031259 JYWWRKMTTMXEJS-NHYWBVRUSA-N 416.276 -0.332 50 20 HBGD C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840184741 DKKGSUWTPTZGPO-CXAGYDPISA-N 402.517 -0.866 50 20 HBGD O=C(COc1cccnn1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1840409182 BCNASCWRMKUPCU-GOEBONIOSA-N 402.810 -0.154 50 20 HBGD Cc1nnc(CCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cccc(B(O)O)c2)s1 1848211562 PQAXWUNWQHWLNS-HOTGVXAUSA-N 414.296 -0.025 50 20 HBGD Cc1ccc(OCC(=O)NNC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)cc1 725878793 PUKNRWUXDVGSMO-UHFFFAOYSA-N 409.468 -0.068 50 20 HBGD O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NNC(=O)c1cnn[nH]1 729456199 VVWKJULANJSRCJ-UHFFFAOYSA-N 405.440 -0.135 50 20 HBGD Cc1nc2ccccn2c1C(=O)NNC(=O)[C@H](C)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 746102565 IKSVRPHIVOGHDQ-HPYVJYLESA-N 411.418 -0.045 50 20 HBGD C[C@H]1CN(c2ccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cn2)C[C@@H](C)O1 755866690 VZPUHJLAMPDQAF-GRYCIOLGSA-N 414.488 -0.214 50 20 HBGD Cn1cc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc(Br)c1=O 757676577 BOOLXLUOBFKGTN-ZETCQYMHSA-N 407.246 -0.265 50 20 HBGD CS(=O)(=O)NC1(CNC(=O)NNC(=O)C(=O)Nc2ccccn2)CCCCC1 758686655 OJFNOFFUTGGIHY-UHFFFAOYSA-N 412.472 -0.397 50 20 HBGD CCn1c(=O)n(CC)c2nc(NC(=O)CCC(=O)NNC(=O)CN(C)C)ccc21 764106379 UUYQUPSROKCVFT-UHFFFAOYSA-N 405.459 -0.335 50 20 HBGD COC(=O)CCCS(=O)(=O)N1CCN(S(=O)(=O)CBr)CC1 767848552 BPSKRXGNJHIEIK-UHFFFAOYSA-N 407.308 -0.431 50 20 HBGD COCC(=O)NNC(=O)C(=O)Nc1ccccc1OCC(=O)Nc1cccnc1 768243504 WBTJJQNKQHBYCY-UHFFFAOYSA-N 401.379 -0.169 50 20 HBGD CN(C)S(=O)(=O)c1cc(C(=O)OCC(=O)NNC(=O)c2cccs2)n(C)c1 778909305 GFSQWWDYYPHZTE-UHFFFAOYSA-N 414.465 -0.045 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(OCC(F)F)cc1 783828286 NWWPTIWZFKLAQB-MRVPVSSYSA-N 401.413 -0.422 50 20 HBGD CNS(=O)(=O)N1CCC(C(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)CC1 803937340 LRDPSVHZQBTVRW-UHFFFAOYSA-N 423.451 -0.961 50 20 HBGD CCOCCS(=O)(=O)NCC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O 809985599 QERQJVOYCBLCPY-UHFFFAOYSA-N 411.440 -0.705 50 20 HBGD CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NNC(=O)[C@H]2CCc3nncn3C2)o1 816886319 UREXWVNQELLYQQ-JTQLQIEISA-N 410.456 -0.029 50 20 HBGD O=C(NNC(=O)c1ccc(Cl)nc1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 1317908975 NEHOTVPLDXOLSD-JTQLQIEISA-N 413.843 -0.339 50 20 HBGD Cc1cc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)n[nH]1 1779158976 QTAKJBNMGLKTSJ-HXUWFJFHSA-N 412.255 -0.916 50 20 HBGD Cc1ocnc1C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1779770865 WZRCJCPSOQBWDO-IBGZPJMESA-N 414.422 -0.261 50 20 HBGD CC[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cnnn3)CCO2)C1 1783342313 KNEOCNRAMLZJQY-SMDDNHRTSA-N 401.265 -0.324 50 20 HBGD C[C@@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21 1783965201 ATJNYQKEZVYTQW-CYDGBPFRSA-N 415.292 -0.316 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccno1 1794738701 LALQFIGPWPGIMA-QHBPRCKVSA-N 400.395 -0.810 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]cc1[N+](=O)[O-] 1798689986 UOCBOQQZFXVLNP-ZSBIGDGJSA-N 407.431 -0.057 50 20 HBGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(C)(=O)=O)C2 1800639557 IUJSPEHOFBGHRD-NOHGZBONSA-N 411.318 -0.206 50 20 HBGD O=C([C@@H](O)CCl)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)CC1 1824899352 RVWVKYDOYUPINN-KBPBESRZSA-N 414.890 -0.242 50 20 HBGD CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)CCC1 1829680152 WJRPJXNHWBIKIO-NRFANRHFSA-N 416.283 -0.373 50 20 HBGD O=C(Cc1cscn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830724847 ZBINOUIBEZYTQT-XJKSGUPXSA-N 403.888 -0.258 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)C34CC(C3)C4)C2)C1 1835934514 WOFBHUWZVOVOES-KUTOWUBSSA-N 414.267 -0.764 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1836211331 ZUOJTPRASGVBRO-HZPDHXFCSA-N 420.297 -0.029 50 20 HBGD O=C(c1cnn2cccnc12)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1836843571 QAJRQLSISFJHFL-KDOFPFPSSA-N 423.857 -0.601 50 20 HBGD C/C=C/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839834301 XVQJXGYWWSSHRX-ORQJHOEPSA-N 414.267 -0.431 50 20 HBGD CC(C)(C)OC(=O)NCC(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012428 ODOFCDVDCQCVPJ-UHFFFAOYSA-N 417.271 -0.292 50 20 HBGD Cn1nc2c(c1C(=O)N1CCCC13CN(C(=O)c1cccc(B(O)O)c1)C3)CCC2 1845675244 PNUBUEKPZQRXCA-UHFFFAOYSA-N 408.267 -0.281 50 20 HBGD Cc1ccc(NCC(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)c(C)c1 755682450 NZZCMCCZJHUFGI-CYBMUJFWSA-N 408.484 -0.037 50 20 HBGD CCSCc1cccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 764231072 MFUYRWCZLGPGEF-JTQLQIEISA-N 402.498 -0.037 50 20 HBGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C(=O)c2nccn2C)cc1 764400706 QYBQVPMYLGQFMN-GFCCVEGCSA-N 417.422 -0.212 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CCC(=O)c2ccccc2)n(C)c1=O 765732636 WPDHWNQEDLNPMP-UHFFFAOYSA-N 412.406 -0.756 50 20 HBGD COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)NNC(=O)C(=O)NC(C)C)C1=O 771237254 YBCGJXQKFQTGMI-IBGZPJMESA-N 419.438 -0.557 50 20 HBGD O=C(CN1CCCC1=O)NNC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12 789858142 PVOLXRKTDBKJEW-UHFFFAOYSA-N 423.476 -0.319 50 20 HBGD CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N=c2cc[nH]cc2)cc1 802024133 IORQLJIFMYESFM-UHFFFAOYSA-N 420.451 -0.065 50 20 HBGD Cc1ccc(S(=O)(=O)NCC(=O)NNC(=O)C(=O)Nc2ccccn2)cc1C 810526610 DDJMFZKRSKFCMH-UHFFFAOYSA-N 405.436 -0.237 50 20 HBGD O=C(NCCc1cn[nH]c1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 812520450 UQBRNVXGVVQOMC-UHFFFAOYSA-N 422.467 -0.383 50 20 HBGD Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 818072614 BHGLQYMBNLBUTQ-ACLQVGRQSA-N 408.415 -0.299 50 20 HBGD COCCCNC(=S)N(C)NC(=O)Cn1cc(Br)c(O)nc1=O 837641857 ZYUUXNUCEFQAQG-UHFFFAOYSA-N 408.278 -0.415 50 20 HBGD O=C(NNC(=O)c1sccc1S(=O)(=O)C(F)F)N[C@@H]1CCS(=O)(=O)C1 1116012192 LYVJAWVZQRLKSI-ZCFIWIBFSA-N 417.437 -0.125 50 20 HBGD CCS(=O)(=O)c1ccc(CCC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 1323024448 HSKURCQQKFCNRD-CYBMUJFWSA-N 402.494 -0.005 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3ccc(CO)o3)C2)C1 1779548060 ZMQOVWJFZZPNMT-FQEVSTJZSA-N 414.223 -0.791 50 20 HBGD Cc1ncncc1C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1779666520 NKJRPTCVUGCTCL-FQEVSTJZSA-N 410.239 -0.778 50 20 HBGD O=C1NC[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCBr)C[C@@H]32)O1 1784575813 BTYVGIUSWIVEIV-BJDJZHNGSA-N 404.261 -0.141 50 20 HBGD CCC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@H]3NC(=O)NC3=O)[C@H]2C1 1785149534 MXOZQHAWJRIFAJ-QNSTZXKLSA-N 414.890 -0.028 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc[n+]([O-])c3)[C@H]2C1 1785501822 ZQVYAPWKGQTXIZ-ULQDDVLXSA-N 419.482 -0.714 50 20 HBGD CC(C)NCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1786953840 YFRBRBFSASFEOV-WDSOQIARSA-N 417.315 -0.652 50 20 HBGD CCNC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](Cl)COC)C[C@@H]21 1788565724 MVPBTYBVUAGKRS-LXFSFDBISA-N 418.922 -0.073 50 20 HBGD O=C(CCNC(=O)c1ccc[nH]1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1794033652 OYERZFGPCWBFFM-LMWOUKEDSA-N 412.874 -0.676 50 20 HBGD CC1=C(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)CCO1 1795946316 DUMPCXYYEDDZNC-FVCICTRLSA-N 415.450 -0.417 50 20 HBGD C[C@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)C=CC1=O)C2 1799278758 XDZZVVBKDYYYRT-RERORNDZSA-N 418.277 -0.263 50 20 HBGD N=C1NCCN1CC(=O)NC1CCN(C2CCN(C(=O)[C@@H](F)Cl)CC2)CC1 1834704542 OZWIGJSWMFMSCS-OAHLLOKOSA-N 402.902 -0.068 50 20 HBGD C=CC[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939827 JSVUWUVFVFKFLY-IIBYNOLFSA-N 416.283 -0.351 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc[n+]([O-])cc3)CCO2)C1 1838340634 SNAQNWZTXNPGFP-YJBOKZPZSA-N 413.858 -0.356 50 20 HBGD O=C1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)=NN1 1839201208 ZGYYTEMUEUSBCS-RISCZKNCSA-N 421.223 -0.991 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)COCCO)C2)C1 1840034649 RYPUPXRPFIYWJL-SWLSCSKDSA-N 409.277 -0.765 50 20 HBGD CC(C)(C)OC(=O)CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(B(O)O)cc1 1847937786 QAMPFMDMNXOBAM-HOTGVXAUSA-N 402.256 -0.086 50 20 HBGD O=C(NNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)NC1CC1 8403321 XJPYGURXKSBVHU-NSHDSACASA-N 412.443 -0.348 50 20 HBGD Cn1cccc1C(=O)N1CCN(C(=O)NNC(=O)CNC(=O)c2ccco2)CC1 725872542 YSSFRJRKNRLURI-UHFFFAOYSA-N 402.411 -0.453 50 20 HBGD COCCOc1ccc(-n2nc(C)c(C(=O)NNC(=O)C(=O)NC(C)C)n2)cc1 735030836 MNSWATIIYXYJDX-UHFFFAOYSA-N 404.427 -0.113 50 20 HBGD O=C(NNC(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1)N[C@@H]1CCS(=O)(=O)C1 746163027 LJFYCIKWZBPJHS-GXTWGEPZSA-N 415.516 -0.132 50 20 HBGD CCc1nc(CN2CCN(CC(=O)NNC(=O)Cc3nc(C)cs3)CC2)no1 746478550 DWWOMODZRDOUAM-UHFFFAOYSA-N 407.500 -0.095 50 20 HBGD O=C(NCCNS(=O)(=O)Cc1ccon1)NNC(=O)[C@H]1Cc2ccccc2O1 750274230 BUOQWLSLEMBAQR-CQSZACIVSA-N 409.424 -0.572 50 20 HBGD CCCOc1cc(C)ccc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764230664 IZGGQWZSSBYZJB-LLVKDONJSA-N 400.457 -0.193 50 20 HBGD CC(=O)Nc1cccc(C(C)=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 764817234 KIBKJVMGRPBMQO-UHFFFAOYSA-N 411.422 -0.068 50 20 HBGD Cn1cc(S(=O)(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cn1 765119132 QOMAPJFUVRPVBY-UHFFFAOYSA-N 406.468 -0.812 50 20 HBGD COc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)c2cc(C)[nH]n2)cc1OC 765582503 AMZXJXXOQSNBAE-UHFFFAOYSA-N 411.440 -0.135 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@@H]3CCCOC3)CC2)cc1 766635820 GBSLEZKMZJDUGY-MRXNPFEDSA-N 424.523 -0.125 50 20 HBGD COc1cc(OC)c(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)cc1F 784001750 CSNJYDJLCBCQQJ-UHFFFAOYSA-N 408.342 -0.048 50 20 HBGD NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1I 916040276 YDRTWKYCXXSEEN-UHFFFAOYSA-N 411.221 -0.084 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCCN2C(=O)CNC2=O)c1 920213949 UKQWXWNOVZLKHK-UHFFFAOYSA-N 411.440 -0.970 50 20 HBGD CC1(C)NC(=O)N(CCCC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)C1=O 1318258414 XCPRHRPXNVKLCK-UHFFFAOYSA-N 417.470 -0.049 50 20 HBGD O=C(NNC(=O)c1nccn2c(Br)cnc12)N[C@H]1CCS(=O)(=O)C1 1341585103 AGVCBALYBHIAEE-ZETCQYMHSA-N 417.245 -0.377 50 20 HBGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)CN(CCO)CCO)C2)C1 1783257111 VQQNSUSCFXLHFI-QAPCUYQASA-N 405.923 -0.490 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3cc(C(=O)O)ncn3)CCO2)C1 1783872534 AVTXZUZPLQPQLI-APPDUMDISA-N 412.830 -0.128 50 20 HBGD Cc1ccn(CC(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)n1 1783933756 XATJNXSNLGHYQN-LJQANCHMSA-N 406.487 -0.606 50 20 HBGD N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)CCC1 1786981987 KNNPCKGNFIAWGM-SZMVWBNQSA-N 411.267 -0.346 50 20 HBGD CC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)N3CCOCC3)C[C@@H]21 1789863521 TWTFKPWAAKGMGS-JBXGNFEISA-N 403.907 -0.366 50 20 HBGD N[C@@H](Cc1cccnc1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1796845229 JUDIWGJEESQIRA-YRPNKDGESA-N 422.294 -0.417 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CN(C)C1 1801556338 UMNZXCFAOLGRFH-OEDQRSTHSA-N 416.482 -0.728 50 20 HBGD NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807373245 QBAYANKANLWWDB-OXQOHEQNSA-N 424.266 -0.654 50 20 HBGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1)n1ccnc1 1830972709 YFSCJQYZPGXDKD-KEYYUXOJSA-N 400.863 -0.500 50 20 HBGD CCn1nccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1834410856 AQRFMIIZRCNNBW-PBHICJAKSA-N 400.863 -0.427 50 20 HBGD COC(=O)c1ccc(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)cn1 1843013809 PXIBELKNMMQPJV-UHFFFAOYSA-N 423.234 -0.321 50 20 HBGD CC(=O)O[C@H](C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2)C(C)C 1844162264 KITFOSPVGQYJSQ-KRWDZBQOSA-N 402.256 -0.229 50 20 HBGD COCCCNC(=O)[C@@H](C)N1CCN(CC(=O)NNC(=O)c2ccc(C)cc2)CC1 728932224 LNZYTCYCBOJCOR-QGZVFWFLSA-N 419.526 -0.085 50 20 HBGD C[C@@H]1CN(CCC(=O)NNC(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)C[C@@H](C)O1 732262089 QXCAZUXCQBEAMW-VXGBXAGGSA-N 401.489 -0.475 50 20 HBGD O=C(NCCCN1CCN(c2ccncc2)CC1)NNC(=O)C(=O)N1CCCC1 748463326 OBHFFCYVMBDGHO-UHFFFAOYSA-N 403.487 -0.454 50 20 HBGD O=C(Cn1cc([N+](=O)[O-])ccc1=O)NNC(=O)c1csc(N2CCOCC2)n1 748697925 ZBXYUCXBPNWQKS-UHFFFAOYSA-N 408.396 -0.489 50 20 HBGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 763572759 OWQXIYJQNDQMTF-CJNGLKHVSA-N 415.406 -0.012 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)C[C@H]3CCOC3)CC2)cc1 765728649 NTJORJWZFNITAC-MRXNPFEDSA-N 424.523 -0.125 50 20 HBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)CCNS(=O)(=O)c1cccnc1 771995513 SGDQOOWCAKZYIZ-GFCCVEGCSA-N 400.457 -0.125 50 20 HBGD CCOC(=O)c1cc(S(=O)(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)ccc1C 795289988 JFAYGUNLUXQZAK-NSHDSACASA-N 404.466 -0.084 50 20 HBGD Cc1cnn(C)c1S(=O)(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 795335551 NEEZXQFGORKSHT-UHFFFAOYSA-N 420.495 -0.504 50 20 HBGD CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1 798307701 FHUJWKTTYJJOLQ-OAHLLOKOSA-N 403.439 -0.484 50 20 HBGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@@H]2COCCN2CC(F)(F)F)n1 801344440 AARZAXJRJYPIDL-JTQLQIEISA-N 424.401 -0.052 50 20 HBGD O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NNC(=O)[C@H]1CCc2nncn2C1 816874686 IKVGDXWWMIHDBW-LBPRGKRZSA-N 401.383 -0.284 50 20 HBGD COc1ccc(C)cc1N1C[C@H](C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)CC1=O 919886405 WJODGRYKALGMOW-OLZOCXBDSA-N 424.479 -0.126 50 20 HBGD Cc1nnc(CNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)n1C 1318317010 FCRYBWJSQNVGFH-UHFFFAOYSA-N 423.503 -0.719 50 20 HBGD O=C(NNC(=O)[C@@H]1CC12CCS(=O)(=O)CC2)c1csc(N2CCOCC2)n1 1326651960 OIHOSSFMZVCFTR-NSHDSACASA-N 414.509 -0.044 50 20 HBGD CCc1cc(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)no1 1779694223 GCTSCGQUMIUNLJ-HXUWFJFHSA-N 413.239 -0.326 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCS3)C2)C1 1784792486 XVVNAMWAQFBDGZ-QFBILLFUSA-N 404.297 -0.295 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc[n+]([O-])c3)C[C@@H]21 1791288834 WPNZMCLJGYSBAZ-ULQDDVLXSA-N 419.482 -0.714 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCCOC3)[C@H]2C1 1792215959 CLUPLSRBOCPFIO-QAETUUGQSA-N 410.515 -0.234 50 20 HBGD COC[C@@H](NC(C)=O)C(=O)N1CCC2(CCCN(C(=O)[C@@H](O)CCl)C2)CC1 1805523348 ULOASTYIPJKKTL-CABCVRRESA-N 403.907 -0.032 50 20 HBGD O=C(NC[C@H]1CCN(C(=O)c2nc[nH]n2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362839 KDCHCRGUORETSA-NVXWUHKLSA-N 420.238 -0.487 50 20 HBGD O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807367756 MJDKRFALNWTTFQ-JXFKEZNVSA-N 421.218 -0.831 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)COCCO)[C@@H]1c1cccnc1 1808627327 DMSIOKIMAXBLTB-JXFKEZNVSA-N 421.498 -0.531 50 20 HBGD CN(C)C(=O)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827054866 NKDQXSKYGUABPI-GOSISDBHSA-N 415.299 -0.312 50 20 HBGD CC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](Cl)COC)C2)C1 1830334736 RQRSCMXDZMZKBK-IIDMSEBBSA-N 419.906 -0.389 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)COCCO)CC1 1831874173 KECVALBPTMVTGC-KRWDZBQOSA-N 412.531 -0.012 50 20 HBGD N=C1NCCN1CC(=O)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1835639709 AUAXFSUDLMPSQT-HNNXBMFYSA-N 408.286 -0.914 50 20 HBGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)n[nH]3)CCO2)C1 1835859048 NEENYUBHPJWPLU-BMIGLBTASA-N 417.260 -0.031 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(C)=O)C2)C1 1840155804 ICRUVDJURBCSHG-JDFRZJQESA-N 405.879 -0.779 50 20 HBGD C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1840161294 KMDKQZQKJHEVPU-KPZWWZAWSA-N 423.495 -0.927 50 20 HBGD NC[C@@H](C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1)c1ccccc1 1843013335 IKRYIIJTIDUWNM-LJQANCHMSA-N 407.279 -0.074 50 20 HBGD C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014541 VVGLCOXIGGQYKA-UHFFFAOYSA-N 400.240 -0.307 50 20 HBGD Cn1c(NNC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)nc2ccccc2c1=O 733263429 ANYYOJGUQJFYOE-UHFFFAOYSA-N 407.390 -0.364 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNc2ncnc3[nH]cnc23)c1 743470136 PCRRFAVAHZATKT-UHFFFAOYSA-N 418.439 -0.524 50 20 HBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 746103888 ZUYBUFIXBBTXOY-CQSZACIVSA-N 416.438 -0.792 50 20 HBGD Cc1cccnc1C(=O)NNC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 752241241 ZHJAEZNWBKZRJJ-GFCCVEGCSA-N 417.447 -0.148 50 20 HBGD CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)NNC(=O)NCCCOC 761282859 PHFCHBNWKXPOJA-UHFFFAOYSA-N 424.501 -0.014 50 20 HBGD C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NNC(=O)C3CC3)cc2)C[C@@H](C)O1 763561111 CQUWFKCQZGBKOH-VXGBXAGGSA-N 424.479 -0.020 50 20 HBGD CSCCc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1 764227359 NQOZPRODZINPIO-SNVBAGLBSA-N 402.498 -0.384 50 20 HBGD CCOC(=O)NNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 765412917 ASBWCMFWOCFMJD-UHFFFAOYSA-N 418.403 -0.438 50 20 HBGD CC[C@H](C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1)N1CCCC1=O 766648585 IMUIQGMDFQNIFM-QGZVFWFLSA-N 415.494 -0.007 50 20 HBGD Cn1ncc2c(O)nc(NNC(=O)CN3C(=O)N[C@@]4(CCc5ccccc54)C3=O)nc21 770971107 HCMYBUUXYIGTKW-LJQANCHMSA-N 422.405 -0.095 50 20 HBGD CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1 794717433 MTCROPMFQZNTFI-HNNXBMFYSA-N 411.484 -0.493 50 20 HBGD O=C(COC(=O)[C@@]12CCC(=O)N1CCS2)NNC(=O)[C@@H]1COc2ccccc2O1 804008642 YBOMZHGZIUSQRO-UGSOOPFHSA-N 421.431 -0.418 50 20 HBGD CC1CCN(C(=O)C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)CC1 805567957 WMMDHFBFZFXETB-OAHLLOKOSA-N 405.407 -0.225 50 20 HBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H](C)S(C)(=O)=O)c1 915685831 MUCJVEPWKREMTA-NSHDSACASA-N 405.498 -0.089 50 20 HBGD COC(=O)CSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784085035 BJGXONYAKZQFOT-RVMXOQNASA-N 408.904 -0.528 50 20 HBGD CCCNC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784085782 PEQINFPTPSTEEB-XQLPTFJDSA-N 403.907 -0.128 50 20 HBGD CCN1CCC(C(=O)N2CC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)CC1 1785647259 JEIQLHGPZKSGQT-OAQYLSRUSA-N 423.558 -0.079 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccncc3)[C@H]2C1 1789738737 BCKNATVPCBWHAX-BZSNNMDCSA-N 417.510 -0.023 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCCC2(CCN(C(=O)[C@H](O)CCl)CC2)C1 1809967402 GBTXUMRLALVCLC-MRXNPFEDSA-N 408.691 -0.189 50 20 HBGD CN(C)C(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)CCl)C2)C1 1830038119 CBVZXMWPDDUYQI-SFHVURJKSA-N 418.922 -0.021 50 20 HBGD O=C(c1ccc([N+](=O)[O-])o1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830719702 HYVOKUSWYWQXFR-MEDUHNTESA-N 417.802 -0.143 50 20 HBGD O=C(c1ccnc(Cl)n1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830730508 ARUXJLPAJOAIJE-WBMJQRKESA-N 419.265 -0.200 50 20 HBGD O=C1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)N1 1835307812 KSFJQHWEVLPKTD-IFUGULHKSA-N 422.251 -0.588 50 20 HBGD C[C@H](CBr)C(=O)N1CCCC12CN(C(=O)CNCP(=O)(O)O)C2 1841287105 SQUGLNOOCJQMED-SNVBAGLBSA-N 412.221 -0.054 50 20 HBGD COC(=O)[C@H]1CC[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2ccc(B(O)O)cc2)C1 1847555266 MGCWCLVJVNBCEW-LAQRGFTBSA-N 414.267 -0.229 50 20 HBGD O=C(CNC(=O)c1ccccc1OC(F)F)NNC(=O)[C@@H]1CCS(=O)(=O)C1 732307824 NWPXJVIASMYBIF-SECBINFHSA-N 405.379 -0.400 50 20 HBGD COc1ccc(C(=O)NNC(=O)COC(=O)Cn2nnnc2C(C)C)cc1OC 747032136 ZKMMXCXOVUVAJY-UHFFFAOYSA-N 406.399 -0.182 50 20 HBGD C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NNC(=O)CNC(=O)c1ccco1)C2=O 751206979 OTQOOIYEMAZDTN-BBATYDOGSA-N 405.411 -0.343 50 20 HBGD Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 761895624 VBEYFLGBMWXRQB-ZETCQYMHSA-N 414.849 -0.196 50 20 HBGD Cc1nc(N2CCOCC2)nc(O)c1CCC(=O)NNC(=O)N1CCN(C)CC1 788166519 OXVDDGKYRUKHGB-UHFFFAOYSA-N 407.475 -0.752 50 20 HBGD COc1ccc(C(=O)NNC(=O)CN(C)[C@H]2CCN(S(C)(=O)=O)C2)cc1OC 794788034 WXLQGSANBYWMEL-ZDUSSCGKSA-N 414.484 -0.570 50 20 HBGD Cc1cc(C(=O)NCC(=O)NNC(=O)[C@@H]2CCc3nncn3C2)ccc1[N+](=O)[O-] 816881182 ALFFSUZZAHVNHL-GFCCVEGCSA-N 401.383 -0.365 50 20 HBGD Cn1cc(N2CC[C@@H](NC(=O)NNC(=O)c3csc(N4CCOCC4)n3)C2)cn1 1318619710 CASLPEPMFNRCGM-GFCCVEGCSA-N 420.499 -0.064 50 20 HBGD N#CC1(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)CCC1 1779035313 FINRNWCQFHTUJZ-HXUWFJFHSA-N 412.450 -0.178 50 20 HBGD CC(C)[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786982860 JIHPHEMCQNGMIH-DKIMLUQUSA-N 420.340 -0.086 50 20 HBGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@@H](N)C(N)=O)C[C@@H]21 1791057319 BBNHRPRNBWWQMR-NWBUJAPZSA-N 419.320 -0.658 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)C(=O)c1ccco1 1793926701 KFUCKOJTIKSLQX-XOIINTDNSA-N 412.207 -0.955 50 20 HBGD C[C@](O)(CC(=O)O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCBr 1795116888 CZIHVUSOISHRCE-OXUXUCFPSA-N 421.288 -0.023 50 20 HBGD C[C@H](CC(N)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798439618 OIYDHVKQRSHLBA-FVCCEPFGSA-N 402.455 -0.552 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(O)nc1 1798641906 BLXZTJAXKBWTET-ZSBFGKGUSA-N 405.455 -0.637 50 20 HBGD CNC(=S)NCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)Br 1800759228 LHNJFJVUONOZCQ-KQXIARHKSA-N 421.361 -0.157 50 20 HBGD COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)ccn1 1801011916 UJEFXAPTTDUBAD-CCWDJLKJSA-N 419.482 -0.334 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCS(C)(=O)=O 1803265576 PRIUHAOFESROMY-BTTYYORXSA-N 402.517 -0.568 50 20 HBGD O=C(c1cnc(Cl)nc1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1829514264 TWPDRZDGMWSWCT-BLLLJJGKSA-N 419.265 -0.200 50 20 HBGD CCn1nccc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830724097 CVKJFNIGCUOQNE-YOEHRIQHSA-N 400.863 -0.427 50 20 HBGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1 1831649750 BLYBGEKZQQYYLS-SJCJKPOMSA-N 400.863 -0.274 50 20 HBGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)C3=NNC(=O)C3)CC2)CC1 1835703548 SVSVRFZCPNGATF-AWEZNQCLSA-N 413.906 -0.312 50 20 HBGD COc1cc(C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)n(C)n1 1844263832 ZNHZHVMHJHIXQU-UHFFFAOYSA-N 413.438 -0.442 50 20 HBGD CCC(=O)NNC(=O)[C@@H](C)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 734485525 LTKWXJPCFKKKEC-CYBMUJFWSA-N 410.496 -0.206 50 20 HBGD O=C(CS(=O)(=O)c1cccc(Br)c1)NNC(=O)C(=O)N1CCCC1 748239379 GRMWHAWZGLIJBM-UHFFFAOYSA-N 418.269 -0.007 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CNS(=O)(=O)CCOC(C)C)cc1C 748864675 HZVCKNGMYDTEGJ-UHFFFAOYSA-N 414.484 -0.266 50 20 HBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)Nc1cccc(S(=O)(=O)NC2CC2)c1 755585099 GZRVCGOZKDUHSW-JTQLQIEISA-N 416.481 -0.285 50 20 HBGD COc1ccc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1-n1nnnc1C 756319566 KEPKKGWTVAWFKL-JTQLQIEISA-N 409.428 -0.433 50 20 HBGD COCCn1cc(C(=O)N2CCN(S(=O)(=O)CBr)CC2)ccc1=O 758534055 ANJQTDYXPVDVNJ-UHFFFAOYSA-N 422.301 -0.065 50 20 HBGD CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 764086235 UPVWYQSGBVVGEK-CQSZACIVSA-N 419.482 -0.119 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccn([C@H](C)c2ccccc2)n1 764227957 SSEQUWDQRGLHAB-NWDGAFQWSA-N 422.467 -0.484 50 20 HBGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)c(Br)c1 764431425 CSVBPAUHGNXWTN-NSHDSACASA-N 402.201 -0.041 50 20 HBGD O=C(Cc1ccncc1)NNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 780850974 DLZADXFZRQVLGE-ZBFHGGJFSA-N 422.438 -0.265 50 20 HBGD CCCNS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)NCCCOC)cc1 808080758 JOXGEVKKQZXVFL-UHFFFAOYSA-N 408.502 -0.096 50 20 HBGD CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)NNc1ccccc1S(=O)(=O)N(C)C 817053076 BORFYDCIIRBQBV-ZDUSSCGKSA-N 413.500 -0.214 50 20 HBGD COc1cccc(NCC(=O)NNC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)c1 862486571 FFJYYFCVDUTBFV-UHFFFAOYSA-N 412.406 -0.486 50 20 HBGD CC(=O)NC[C@H]1CCn2ncc(C(=O)NNC(=O)CNC(=O)c3cccs3)c2C1 1116774886 YUCWIZHZWKCSMZ-LBPRGKRZSA-N 418.479 -0.166 50 20 HBGD CC(C)(C)[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779028672 HUGATJCPHJAVJW-QRWLVFNGSA-N 419.482 -0.464 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ncon3)C2)C1 1779867810 XMNWYNLQBGRKII-AGKWGAAGSA-N 415.410 -0.353 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)[C@@H]1CCCCO1 1783610843 SNELBYSZPGJYSC-WNHJNPCNSA-N 416.283 -0.471 50 20 HBGD Cc1nn(C)c(C)c1C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783933749 WSZXRBUSMVIXSC-FQEVSTJZSA-N 420.514 -0.147 50 20 HBGD Cc1cc(CC(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)n[nH]1 1783934317 DPWMWDQSXDUGKK-LJQANCHMSA-N 406.487 -0.536 50 20 HBGD CC[S@@](=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783934393 GGXPWIVDGFKVHX-KWMCUTETSA-N 416.544 -0.652 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1783934771 LVBZDNLLHMNRFQ-LQOIVRHRSA-N 422.530 -0.339 50 20 HBGD CC[C@@H](C)[C@@H](N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786979574 ZWXORESPSRNKSP-ZAMIHWKFSA-N 417.315 -0.667 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)C)C2 1796441254 ORWULRQGGKGCMS-MADJGSHVSA-N 404.471 -0.728 50 20 HBGD CCOC(=O)N[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)Br 1800758994 BYTYISQSOPMRJT-XPORZQOISA-N 422.276 -0.576 50 20 HBGD Cn1cccc1C(=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830738584 QDBQGEOQIBHQGZ-KBXCAEBGSA-N 413.858 -0.736 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC1CCN(C2CCN(C(=O)CN)CC2)CC1 1835118243 KCAPUWBXMJZENW-ZVHZXABRSA-N 417.514 -0.349 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3nnc(C)o3)CCO2)C1 1836028751 LOPZMLBMUROYOR-GUYCJALGSA-N 416.862 -0.369 50 20 HBGD CC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1 1839857473 UTJHYUPWXXJODA-BLLLJJGKSA-N 420.304 -0.390 50 20 HBGD C[C@@H]1CCCC[C@@H]1NC(=S)NNC(=O)CSc1nn(C)c(=O)n(C)c1=O 18945230 CSDMKVZYHYVCID-ZJUUUORDSA-N 400.530 -0.355 50 20 HBGD CN(C)S(=O)(=O)c1ccc(CNC(=O)NNC(=O)CNC(=O)c2ccco2)cc1 725871270 JAAFEFHLQKAQGU-UHFFFAOYSA-N 423.451 -0.210 50 20 HBGD Cc1c(C(=O)NNC(=O)C(=O)N2CCCC2)nnn1-c1ccc2c(c1)OCCO2 731455296 HZLSZEIVGWHLKJ-UHFFFAOYSA-N 400.395 -0.270 50 20 HBGD O=C(NNC(=O)[C@@H](c1ccccc1F)N1CCOCC1)N[C@@H]1CCS(=O)(=O)C1 742578205 XSZIMQUYXMUNDZ-IUODEOHRSA-N 414.459 -0.284 50 20 HBGD O=C(O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)NNC(=O)N3CCOCC3)cc2)C1 745833686 CKOOFKJQLPSBBU-LLVKDONJSA-N 412.424 -0.641 50 20 HBGD O=C(Cc1cccc(F)c1)NCCNC(=O)NNC(=O)C(=O)Nc1ccccn1 758736809 KENIESRMSUIGME-UHFFFAOYSA-N 402.386 -0.152 50 20 HBGD O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)NNC(=O)C(=O)Nc1ccccn1 758839355 DHBOVZWXOKEJFA-FQEVSTJZSA-N 422.401 -0.439 50 20 HBGD CC(C)n1ncc2cc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)ccc21 764225607 BDXHVBMLXGYBSF-SNVBAGLBSA-N 410.456 -0.359 50 20 HBGD CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 794825715 XBXSKOVGUBTNPP-NWDGAFQWSA-N 405.473 -0.406 50 20 HBGD O=C(CCC(=O)N1CCN(c2ncccn2)CC1)NNC(=O)NCC(F)(F)F 798314360 IJGONKMNLPBSTR-UHFFFAOYSA-N 403.365 -0.202 50 20 HBGD CNS(=O)(=O)N1CCC(C(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)CC1 803937122 KCOHUNRXLLWIKN-UHFFFAOYSA-N 423.451 -0.961 50 20 HBGD C[C@H](NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)c1nncn1C 1317871280 JPOBOUGHKNAWKR-LBPRGKRZSA-N 423.503 -0.467 50 20 HBGD C[C@H](CNC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1)CN1CCN(C)CC1 1319173066 VBJCTBOKTSVCKS-CQSZACIVSA-N 411.528 -0.082 50 20 HBGD O=C(Cc1nc2ncccn2n1)NNc1ccccc1S(=O)(=O)N1CCOCC1 1323333981 LQMKYOUJGISKIE-UHFFFAOYSA-N 417.451 -0.169 50 20 HBGD O=C(c1nc(O)n2c1CCCC2)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1779344104 NCSOSKOJRLSDFC-ACJLOTCBSA-N 412.874 -0.032 50 20 HBGD CC(=O)N(C)[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783935815 ZCGYMOMEBQURED-IFXJQAMLSA-N 411.503 -0.944 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)C3CCSCC3)C2)C1 1785635862 NYJLPUJHBOPBAI-HXUWFJFHSA-N 418.324 -0.047 50 20 HBGD C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)N1CCN(C)CC1 1789794804 CZKAKVFKTXDYGS-VIQHNZTISA-N 416.950 -0.798 50 20 HBGD CC[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=N)N)C[C@@H]21 1790961584 ODZPTXBVLZNMFZ-YFKTTZPYSA-N 404.309 -0.377 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3ncc[nH]3)[C@H]2C1 1791484050 VCJZMAOPDNFGKR-JYJNAYRXSA-N 420.514 -0.305 50 20 HBGD COC[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1793438798 KEIDQEKMLDPBIW-NFFDBFGFSA-N 405.455 -0.829 50 20 HBGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCCS1(=O)=O 1800395956 RAKKBMRRMCNJJQ-NAWOPXAZSA-N 423.329 -0.063 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)C2 1801012936 NMPRUDNHOCAKIN-XPYFFNBCSA-N 408.499 -0.484 50 20 HBGD CNC(=O)CC(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807360013 OEWFEEDBXCCZGG-UZLBHIALSA-N 424.266 -0.783 50 20 HBGD O=C(Cn1nccn1)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1820985586 HZQXSUATQUYSRQ-INIZCTEOSA-N 423.242 -0.313 50 20 HBGD Cc1nc(N)sc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830723577 QADMKEZCOCNDBM-BZNIZROVSA-N 418.903 -0.297 50 20 HBGD O=C(CCc1cncnc1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1836049345 QYDVMHPYQFJXAM-MAUKXSAKSA-N 412.874 -0.535 50 20 HBGD Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c(O)n1 1838667569 KUBRSMHCGHIESH-KBXCAEBGSA-N 413.858 -0.235 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3cnnn3)C2)C1 1839149091 SYLXNJFUAQNTCZ-HEHGZKQESA-N 400.867 -0.292 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cncn3)C2)C1 1839152128 ORCOYOUGGNZBQP-CVEARBPZSA-N 420.297 -0.029 50 20 HBGD O=C(c1cnn2c1CCC2)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839530750 HQCIWXQWVYOVEL-CRAIPNDOSA-N 412.874 -0.501 50 20 HBGD O=C1CCCCN1CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1840104820 DZYSGGHXZZMGOR-NVXWUHKLSA-N 405.854 -0.010 50 20 HBGD Cn1ncc(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)c1Cl 1843014345 YTWSIMVQEDUSHF-UHFFFAOYSA-N 402.647 -0.116 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)COC(=O)C(F)(F)F)C1 1844207690 ZUDGMTXTCSRUSS-UHFFFAOYSA-N 408.377 -0.332 50 20 HBGD CCS(=O)(=O)N(C)CCCNC(=O)NNC(=O)CNC(=O)c1cccs1 725874235 YFZNKGQOMZCVJR-UHFFFAOYSA-N 405.502 -0.520 50 20 HBGD CN(CC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C)C1=NS(=O)(=O)c2ccccc21 728177913 NLTATPQIQLXLBF-LBPRGKRZSA-N 414.509 -0.440 50 20 HBGD COc1ccc(-c2noc(CCC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)n2)cc1 729276082 WSVHSIUWOZLTSN-SNVBAGLBSA-N 411.440 -0.237 50 20 HBGD CN(C)c1ccc(NC(=O)NNC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)cc1 743827929 UZWDXLBZAHZWJJ-UHFFFAOYSA-N 414.426 -0.647 50 20 HBGD COc1cc(OC)cc(C(=O)NNC(=O)CNS(=O)(=O)CCOC(C)C)c1 747906297 PCPCBUHSNOSFTR-UHFFFAOYSA-N 403.457 -0.191 50 20 HBGD CCOCCNC(=S)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 750976133 RNYNHKVLKRSSMV-UHFFFAOYSA-N 416.525 -0.147 50 20 HBGD CCOCCS(=O)(=O)NCC(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1 758218105 ZAXLAAFOCMDCCL-UHFFFAOYSA-N 420.513 -0.474 50 20 HBGD COC(=O)c1cn([C@H]2CCN(C(=O)NNC(=O)CNC(=O)c3cccs3)C2)nn1 760668353 HHVDQZJQLCMFMU-JTQLQIEISA-N 421.439 -0.456 50 20 HBGD COCCNS(=O)(=O)c1c[nH]c(C(=O)OCC(=O)NNC(=O)c2ccccc2)c1 764026832 PYOWOBYZTMHDMO-UHFFFAOYSA-N 424.435 -0.443 50 20 HBGD O=C(NNC(=O)C1CCCC1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 764077750 UCZJLQDKLZYJSZ-UHFFFAOYSA-N 424.479 -0.016 50 20 HBGD COCC(=O)NNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC(C)C 764299732 HPBVUWUEJVVEGH-UHFFFAOYSA-N 416.456 -0.544 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2cccc3cccnc23)n(C)c1=O 765313498 RGGSUAZOTVPAPK-UHFFFAOYSA-N 422.405 -0.165 50 20 HBGD Cc1cccc(C)c1NCC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 766640401 SZDKKRGJEWEJJV-UHFFFAOYSA-N 413.438 -0.690 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C(C)(C)c2cccc(F)c2)n(C)c1=O 766646183 XHJFQQNZCGHRER-UHFFFAOYSA-N 416.413 -0.302 50 20 HBGD CC(C)(C)S(=O)(=O)CC(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 767825389 JHTVPXKGJBMDOG-CYBMUJFWSA-N 414.436 -0.270 50 20 HBGD CCN1CCOC[C@H]1C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 775604012 FEWORJAMPYTQPH-INIZCTEOSA-N 410.496 -0.047 50 20 HBGD CCOC(=O)COc1ccc(NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)cc1 783426602 HRPOBAMVQJMGAA-QGZVFWFLSA-N 413.452 -0.235 50 20 HBGD Cc1csc(CC(=O)NNC(=O)COC(=O)CNC(=O)c2cccc(O)c2)n1 785693247 RGHGBMCYBMTGBE-UHFFFAOYSA-N 406.420 -0.180 50 20 HBGD Cn1nccc1COCC(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 786393838 WHZSXWDTYBOXGA-UHFFFAOYSA-N 414.466 -0.458 50 20 HBGD CCN=c1nc(NCC)n2c(SCC(=O)NNC(=O)c3ccncc3)n[nH]c2n1 917390569 VVFSBCRVLHYSBJ-UHFFFAOYSA-N 416.471 -0.247 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1c(F)cccc1Br 1116263654 WKSMTIAEWNKHIW-LURJTMIESA-N 418.266 -0.165 50 20 HBGD CC(=O)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)CCO2 1783142211 HPKUUPIVPKIPAU-PPRFWAEMSA-N 418.454 -0.914 50 20 HBGD Cc1cc(CC(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)nn1C 1783933619 SBGOLMFMRRPJFM-FQEVSTJZSA-N 420.514 -0.526 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)n[nH]3)[C@H]2C1 1786941810 FKIUQTXEAPXCSV-OBJOEFQTSA-N 408.459 -0.918 50 20 HBGD COC(=O)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)cn1 1796561626 FACRMNSUZSRFLR-NEBZKDRISA-N 411.842 -0.329 50 20 HBGD COCc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)c1 1801011958 ZAEGDSWNIAMSGS-CCWDJLKJSA-N 421.498 -0.263 50 20 HBGD O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731694 NXPKLKGAGHVAMQ-WLJAYZHCSA-N 416.906 -0.486 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CNC(N)=O)CC1 1831876995 PHTCLHZAGUDFCU-OAHLLOKOSA-N 410.519 -0.353 50 20 HBGD O=C1CN(CC(=O)N2CCC(N3CCC(NC(=O)[C@@H](F)Cl)CC3)CC2)C(=O)N1 1835079007 JDZAEBULNCFPFL-OAHLLOKOSA-N 417.869 -0.356 50 20 HBGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)N(C)C)CCO2)C1 1835436260 RPTCGAFDLUTZKZ-MLGOLLRUSA-N 420.304 -0.296 50 20 HBGD Cn1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cn1 1840462888 SBMRFSVDDCGMPY-YOEHRIQHSA-N 400.863 -0.981 50 20 HBGD CC[S@@](=O)CCC(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844264359 KXAMEYUUZUKYBB-MUUNZHRXSA-N 407.496 -0.339 50 20 HBGD CCNS(=O)(=O)c1ccc(C)c(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 10214440 CHLMBIBYKKHTOM-LLVKDONJSA-N 403.482 -0.511 50 20 HBGD CN(C)CCN1C[C@H](C(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1=O 733884456 BVTKIDDIDFGTAF-GFCCVEGCSA-N 410.500 -0.849 50 20 HBGD COc1ccc(CCC(=O)NNC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 743320166 LQFDBSOMRGCXBH-KNCCTNLNSA-N 401.419 -0.062 50 20 HBGD COCCS(=O)(=O)CC(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 744620134 FVUOBBLFLQMTKG-UHFFFAOYSA-N 421.497 -0.788 50 20 HBGD COc1ccc(N2C[C@H](C(=O)NNC(=O)C(=O)N3CCCC3)CC2=O)c(OC)c1 748247517 PKRJSYILQVITJU-GFCCVEGCSA-N 404.423 -0.174 50 20 HBGD CCN1CCN(c2ccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc2)CC1 755473935 PWTGENJLZOOMFS-CYBMUJFWSA-N 412.516 -0.081 50 20 HBGD Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 758028282 DBGHALPJSYXLKY-NSHDSACASA-N 418.497 -0.766 50 20 HBGD CCOc1cc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)ccc1OCC(=O)OC 758043406 HIYWMCXDSWIAAO-SNVBAGLBSA-N 417.440 -0.664 50 20 HBGD CS(=O)(=O)N1CCc2c(NC(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)cccc21 758297892 AXRBHEOVQOJYOO-JTQLQIEISA-N 416.481 -0.404 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(Oc2ccncc2)c1 764234506 YLLZQUNVXBQMOU-LLVKDONJSA-N 421.435 -0.103 50 20 HBGD CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)NNC(=O)CNC(=O)OC(C)(C)C)C1=O 778687316 BYZWQRPRPMDTEP-BMLIUANNSA-N 412.447 -0.438 50 20 HBGD COCC(=O)NNC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 913161572 NQDSMFVYVWOCKF-CYBMUJFWSA-N 415.468 -0.254 50 20 HBGD Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 915685700 HIEPNFPHIFUHHN-JSGCOSHPSA-N 410.431 -0.513 50 20 HBGD CN(CC(=O)NNC(=O)CN1CCCC1=O)C(=O)c1ccc(Br)o1 920432653 FVKMXJOMBBTNHC-UHFFFAOYSA-N 401.217 -0.116 50 20 HBGD CO[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1782240680 MWJKEOVKEHNQCS-JNAXZKDPSA-N 404.272 -0.471 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3cnn4c3CCC4)C2)C1 1782314630 VBITXXZNTLYYTP-NRFANRHFSA-N 424.266 -0.734 50 20 HBGD O=C(C[C@H]1NC(=O)NC1=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Br 1800156750 AGCFIRPWCPGEKH-WNPHYYBUSA-N 405.224 -0.087 50 20 HBGD CN1CCC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)C1 1801012631 SOEYTISYMXVBSS-GGXPGOJBSA-N 409.531 -0.709 50 20 HBGD CC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](Cl)COC)C2)C1 1829866930 RQRSCMXDZMZKBK-RVKKMQEKSA-N 419.906 -0.389 50 20 HBGD O=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2)c1ccco1 1830726567 QSSRIZALZBVUKB-SJKOYZFVSA-N 400.815 -0.482 50 20 HBGD O=C([C@@H](O)CCl)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 1830737993 KYABXWUAKLYTQE-AZSHCRGASA-N 402.875 -0.390 50 20 HBGD Cn1cccc1C(=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830738586 QDBQGEOQIBHQGZ-KSSFIOAISA-N 413.858 -0.736 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1 1837275070 DGDRYYOIBHAFCV-PXAZEXFGSA-N 414.894 -0.207 50 20 HBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CNC(N)=O 1848098878 JCXCUYQAEXZOAZ-SRVKXCTJSA-N 417.894 -0.011 50 20 HBGD CC(=O)N[C@H]1[C@H](OCCCl)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 2382215161 DRVVQXMTZMNEAU-OXGONZEZSA-N 409.819 -0.102 50 20 HBGD CC(C)Cn1nc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c2ccccc2c1=O 729276915 OGSLVZNQKQKVKX-NSHDSACASA-N 409.468 -0.249 50 20 HBGD Cn1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCCO3)c2)cn1 735521627 HSRJDVPWSLTGGJ-AWEZNQCLSA-N 407.452 -0.048 50 20 HBGD CNS(=O)(=O)C[C@H]1CCCN1C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 750269656 XIBUDFGCAYINKI-CYBMUJFWSA-N 408.444 -0.970 50 20 HBGD Cc1ccc(OCC(=O)NNC(=O)NCCNS(=O)(=O)Cc2ccon2)cc1 750659454 GSQSDNNYHMCJFC-UHFFFAOYSA-N 411.440 -0.188 50 20 HBGD CC[C@@H](NC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1)C(=O)N1CCOCC1 753055255 CJUZSVJENNJBMK-CQSZACIVSA-N 412.468 -0.329 50 20 HBGD COc1ccc(CN2C[C@@H](C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)CC2=O)cc1 758054198 OAAVEQKMNVBSNI-AAEUAGOBSA-N 412.468 -0.871 50 20 HBGD CNC(=O)c1ccc(Cl)c(NC(=O)C(=O)NNC(=O)[C@H](C)OCCOC)c1 764401004 SFROKYROLCWEET-VIFPVBQESA-N 400.819 -0.163 50 20 HBGD CC(C)[C@H]1C[C@H](CC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CCO1 781709274 IHVPHXMJAXTYGQ-CHWSQXEVSA-N 420.470 -0.578 50 20 HBGD CCOC(=O)c1ccc(C)c(S(=O)(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 788744478 SUSBZNVHDBGHFL-LBPRGKRZSA-N 404.466 -0.084 50 20 HBGD CCCN1C(=O)CC[C@@H](C(=O)NNC(=O)C(=O)N2CCCC2)[C@@H]1c1cncn1C 793304530 KSVORWGPBMKNDK-CZUORRHYSA-N 404.471 -0.120 50 20 HBGD CC(C)Oc1ccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1C(N)=O 797677798 YDJQAFNEUXTFGV-VIFPVBQESA-N 401.445 -0.337 50 20 HBGD CCNC(=O)N(C)NC(=O)CN(CC(=O)NN(C)C(=O)NCC)c1ccccc1 812542423 AYLMSTCBHNYTGS-UHFFFAOYSA-N 407.475 -0.122 50 20 HBGD COC(=O)CNC(=O)c1ccc(NC(=O)NNC(=O)[C@H]2CCc3nncn3C2)cc1 814524033 LINWWZHVAXILLI-LBPRGKRZSA-N 415.410 -0.404 50 20 HBGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)COCc1nncn1C 815292854 UJUKEXRTMDIIRP-UHFFFAOYSA-N 411.802 -0.002 50 20 HBGD CC(C)OCCS(=O)(=O)NCC(=O)NNC(=O)c1cncn1-c1ccccc1 1252519531 YZACCHMYRGLDOM-UHFFFAOYSA-N 409.468 -0.022 50 20 HBGD C[C@@H]1CC[C@H](C(=O)N2CC[C@@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)O1 1778198313 HXHMFKHZFSOXSO-AUJRIZCKSA-N 417.466 -0.304 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCCC3=O)[C@H]2C1 1786734116 ZKXJCUKOXMSUGW-XQLPTFJDSA-N 401.891 -0.158 50 20 HBGD CCN(C)[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786985231 TZYONBRSROVOGT-CBVHJVASSA-N 417.315 -0.700 50 20 HBGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H](O)CN1)C2 1792872590 QAHGDXFECDCNIY-XQZGEAEESA-N 404.305 -0.670 50 20 HBGD CC(=O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1793214923 JMWWELWLMFWPKX-SCAQPMJSSA-N 402.256 -0.815 50 20 HBGD CC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NS(=O)(=O)CC 1793313852 OGVDWQULPOLTJM-RKQHYHRCSA-N 409.936 -0.079 50 20 HBGD CCS(=O)(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1793540382 VQXHHDXKYFAYLR-CLLJXQQHSA-N 423.495 -0.628 50 20 HBGD N[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1ccccn1 1796191157 FQLBWRJZEGWSGX-SFNKJDCFSA-N 408.267 -0.287 50 20 HBGD Cn1ccc(=O)cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796191900 NBGYQFCACLAXLO-BJWYYQGGSA-N 409.251 -0.369 50 20 HBGD CCc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)no1 1798219389 HXXSITFDHPBVDY-IVWMJMPLSA-N 407.471 -0.187 50 20 HBGD Cc1nnc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnccc2C(=O)NN)o1 1798439158 JUPKKZBFTUDVTQ-CLLJXQQHSA-N 413.438 -0.129 50 20 HBGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCS1(=O)=O)C2 1800979591 QCUMUGKNVWDGGP-XVIXHAIJSA-N 408.904 -0.593 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncnn3C)CCO2)C1 1833846446 MWYVFFXZUIDNGR-MLGOLLRUSA-N 401.851 -0.861 50 20 HBGD COCCOCC(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1834565520 WOMGLVKGQVTCKS-MRXNPFEDSA-N 405.923 -0.179 50 20 HBGD O=C(c1ccc(=O)oc1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1834591164 LHWOGBCFZLHAOA-DYVFJYSZSA-N 400.815 -0.691 50 20 HBGD C[C@@H](NC=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837714374 AVYPFGOXVFBBNB-RHSMWYFYSA-N 401.536 -0.571 50 20 HBGD Cc1cnoc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1838401772 RUZLWRCPMXKFNU-LJQANCHMSA-N 423.470 -0.574 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)C1(F)CCC1)CCO2 1840620924 YIXKZGNWVZRYRP-LJQANCHMSA-N 420.246 -0.671 50 20 HBGD CCC(=O)N[C@H](C)C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1841534932 BIFVWLCZWDWIPA-GFCCVEGCSA-N 402.455 -0.583 50 20 HBGD C[C@@H](CS(C)(=O)=O)C(=O)N1CC2(CCCN2C(=O)CCC(=O)NN(C)C)C1 1846384065 YZWUOWZCSRHNCF-ZDUSSCGKSA-N 402.517 -0.757 50 20 HBGD O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NNC(=O)CNC(=O)c1ccco1 725739570 JEJZOYFSPAVAKE-UHFFFAOYSA-N 419.419 -0.714 50 20 HBGD CCn1cc(S(=O)(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cn1 727352337 WFMKQNXVQTTYFJ-UHFFFAOYSA-N 407.861 -0.173 50 20 HBGD Cn1c(=O)c2c(ncn2CCC(=O)NNc2nc(-c3ccncc3)no2)n(C)c1=O 728073259 AGYMOFCMDNFWLT-UHFFFAOYSA-N 411.382 -0.588 50 20 HBGD COc1cccc(NCC(=O)NNC(=O)CCc2nc3c(O)nc(=O)n(C)c3[nH]2)c1 728206403 MIYFABYIVPDVGP-UHFFFAOYSA-N 415.410 -0.437 50 20 HBGD CN(C)C(=O)CN1CCC(NC(=O)NNC(=O)COc2ccccc2C#N)CC1 731761903 MPEKNCUOKKJOAW-UHFFFAOYSA-N 402.455 -0.180 50 20 HBGD O=C(NNS(=O)(=O)c1ccc(-n2cnnn2)cc1)[C@H]1COc2ccccc2O1 747409042 FUGADRIFLUJCIY-OAHLLOKOSA-N 402.392 -0.188 50 20 HBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 748527589 WSMIJRBJHAYBIS-NSHDSACASA-N 419.467 -0.175 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNS(=O)(=O)c2cn(C)cn2)cc1 751260070 ARGNHCKOVHWNAO-UHFFFAOYSA-N 401.470 -0.641 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(N2CCCCC2)c1 764227869 SERNGBUOBXHGNL-LBPRGKRZSA-N 411.484 -0.300 50 20 HBGD Cc1ccc(S(=O)(=O)NCCNC(=O)NN[C@]2(C)CCS(=O)(=O)C2)s1 772630262 IKHRLAQKYGLXCN-CYBMUJFWSA-N 410.543 -0.284 50 20 HBGD CN(C)CCc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)cc1 784005065 YRLCMPFIVLFTAO-UHFFFAOYSA-N 401.423 -0.100 50 20 HBGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)cn1 794063449 GSYDNRQNHVIWPR-UHFFFAOYSA-N 421.435 -0.323 50 20 HBGD COCCOc1ccc(S(=O)(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1C 914876644 HJLIGDOMPFVLIA-LBPRGKRZSA-N 406.482 -0.236 50 20 HBGD CCOc1ccccc1N1C[C@H](C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)CC1=O 919883986 FOAWCXFXIQDYEY-OLZOCXBDSA-N 424.479 -0.044 50 20 HBGD CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NN=c1cc[nH]cc1 1254375470 RSWXNOYPRRFRFW-OAHLLOKOSA-N 412.493 -0.272 50 20 HBGD COCCN(CC(=O)NNC(=O)Cc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1324503722 YACLDVJDZKCWSE-GFCCVEGCSA-N 404.514 -0.723 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1779091826 FWCPMFOBDLONQZ-WMZOPIPTSA-N 415.563 -0.682 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cccnn3)C2)C1 1779462639 MUVHKHPZMFNZDU-IBGZPJMESA-N 411.422 -0.768 50 20 HBGD C/C(=C/C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1)C(=O)O 1782214743 ZBXJGUHBTPTKFP-MZUBWRHMSA-N 424.498 -0.096 50 20 HBGD Cc1n[nH]cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791290603 AEWXTAAZPVCONQ-BPUTZDHNSA-N 406.487 -0.316 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)n3cnnn3)[C@H]2C1 1791692552 UBCQTIBZJNHMIS-PEDHHIEDSA-N 400.867 -0.532 50 20 HBGD Cc1nc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)c(=O)[nH]c1C 1794612464 UZJFOKPRYWBGNT-BJWYYQGGSA-N 424.266 -0.368 50 20 HBGD CC1=C(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)CCO1 1795739106 WBSKUQIXAFENFI-JLVBRIDZSA-N 400.240 -0.736 50 20 HBGD CN1CCN(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCC(=O)NN(C)C)C3)CC1 1795886596 DMABMICZEMBIJS-BCDXTJNWSA-N 422.574 -0.365 50 20 HBGD CNC(=O)CC(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815350322 QHAIEOFHDGIZIW-LBPRGKRZSA-N 416.268 -0.815 50 20 HBGD Nc1n[nH]c(CCC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)[C@@H](O)CCl)CC3)n1 1819550025 BSVODDRLARHORQ-CBAPKCEASA-N 413.891 -0.012 50 20 HBGD NC(=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827060356 GVVCJFUPPUHEON-SFHVURJKSA-N 415.299 -0.135 50 20 HBGD Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)n(C)n1 1834157700 FNXUYNWMTHVELQ-YOEHRIQHSA-N 400.863 -0.602 50 20 HBGD CC(C)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CNC(=O)C3)CCO2)C1 1839867679 ZQABHPMBBPQAGA-UGSOOPFHSA-N 401.891 -0.156 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccc(C)n3)C2)C1 1840150201 HJSHUIYQPSBLGC-QAPCUYQASA-N 414.890 -0.098 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1840154167 NTKTVGKMNWODSI-SJKOYZFVSA-N 414.846 -0.906 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2ccc3nncn3c2)C1 1844087337 TVEJZAMVNSLGRX-UHFFFAOYSA-N 405.223 -0.460 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CCC(=O)N2C)C1 1845237820 HJAWDRKVLHDMQP-NSMHLIOHSA-N 414.466 -0.055 50 20 HBGD COc1cc(C(=O)NNC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)cc(OC)c1OC 14289059 BEPSBJPXQNYTOT-UHFFFAOYSA-N 406.395 -0.209 50 20 HBGD COCCCNC(=O)NNC(=O)c1sccc1S(=O)(=O)N1CCOCC1 139628265 ORHBDTSUGKKEDY-UHFFFAOYSA-N 406.486 -0.251 50 20 HBGD CS(=O)(=O)N1CCN(CCNC(=O)NNC(=O)Cc2ccccc2F)CC1 731365361 FBRZDPYQJYHIDT-UHFFFAOYSA-N 401.464 -0.724 50 20 HBGD Cc1c(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)nnn1-c1ccc2c(c1)OCCO2 731454180 VPOFHNCIUICCME-LLVKDONJSA-N 421.435 -0.457 50 20 HBGD C[C@H]1CN(CCC(=O)NNC(=O)c2ccc(S(=O)(=O)N(C)C)o2)C[C@@H](C)O1 732261558 NHXKLJVJCWOESO-TXEJJXNPSA-N 402.473 -0.210 50 20 HBGD Cc1cc(C(=O)NNC(=O)COCc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C 737637541 ZTZWNBXPFBWPBM-UHFFFAOYSA-N 411.418 -0.082 50 20 HBGD COCCO[C@H](C)C(=O)NNC(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1 748613192 GJBBHCGZCAKEDR-GFCCVEGCSA-N 402.473 -0.181 50 20 HBGD C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F 755049912 RZYZHSICCQKOOJ-WDEREUQCSA-N 413.431 -0.159 50 20 HBGD CCN(CC)C(=O)COc1cccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)c1 764435510 WCURUFOBJATWPV-OAHLLOKOSA-N 422.438 -0.565 50 20 HBGD O=C(CN1CCN(Cc2ccccc2Cl)CC1)NNC(=O)Cn1cccnc1=O 766659879 HQKNAKKSJJFAOQ-UHFFFAOYSA-N 418.885 -0.138 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cnc(C)[nH]3)CC2)cc1 768290209 DSUUTYCIGCXBDN-UHFFFAOYSA-N 420.495 -0.206 50 20 HBGD Cn1cc(/C=C\C(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)c(=O)n(C)c1=O 772187812 FZULNBKSZDRKAL-YVMONPNESA-N 419.825 -0.786 50 20 HBGD CS(=O)(=O)N1CCCC[C@@H]1C(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772890605 JAJDRQIOQFBEGL-CYBMUJFWSA-N 416.887 -0.082 50 20 HBGD CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)=NO1 798929572 WTBDOEWFCVSZQR-VHSXEESVSA-N 419.460 -0.827 50 20 HBGD Cn1c(=O)c2cc(C(=O)NNC(=O)[C@@H]3COc4ccccc4O3)n(C)c2n(C)c1=O 919690174 LOBDUECEZKXUHM-AWEZNQCLSA-N 413.390 -0.823 50 20 HBGD Cc1c(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)nnn1Cc1ccc(F)cc1 1320800988 VJDAKMYINMIVKK-CYBMUJFWSA-N 410.431 -0.095 50 20 HBGD C[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1)n1ccnn1 1783936142 DNYBVGLYCUYGPV-KBXCAEBGSA-N 407.475 -0.958 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)C1CCC(O)CC1)CCO2 1783937681 NBKDKJXYCCXOQA-PMTKGXAQSA-N 410.515 -0.260 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@@]3(F)Cl)C2)C1 1784068329 WYCRSTKJCNRANW-WBAXXEDZSA-N 410.638 -0.266 50 20 HBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)C3CC3)C[C@@H]21 1788607720 AXGPZNIRBQGNOG-RCBQFDQVSA-N 415.450 -0.743 50 20 HBGD CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Cl 1796361295 MNGSZZRLOAAMHD-NZEXEKPDSA-N 423.869 -0.004 50 20 HBGD CC(=O)N(C)[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1796904977 XMZMLIUGTZUYRL-REBRKWNGSA-N 416.482 -0.196 50 20 HBGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCN(C)CC1)C2 1800759586 WYNFFDOGTDWYLF-HGTKMLMNSA-N 417.348 -0.393 50 20 HBGD Cc1n[nH]c(C)c1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830734038 ZMUJUANUPJRXCS-YJBOKZPZSA-N 414.890 -0.375 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NC(C)=O)CCO2 1831477547 HOGKWJUCIZXTID-KSSFIOAISA-N 419.906 -0.389 50 20 HBGD O=C(CN1CCOCC1)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1835397491 NQXQYJOIIBPMFO-MRXNPFEDSA-N 410.298 -0.421 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839144073 PNWLBBXEMSZXJZ-LPHOPBHVSA-N 424.690 -0.546 50 20 HBGD NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1839864569 BNLIMXCRYLYFJY-JSGCOSHPSA-N 410.240 -0.601 50 20 HBGD CC(C)OCC(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840182705 ITQFMBGKSSMJKJ-IBGZPJMESA-N 414.503 -0.759 50 20 HBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CCCC12CN(C(=O)[C@@H](N)CN)C2 1841925109 YYWKEBUCYVLTTG-RYUDHWBXSA-N 403.911 -0.392 50 20 HBGD CCC[C@H](NC(C)=O)C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012602 FNHOWYUEYBRKRW-KRWDZBQOSA-N 401.272 -0.512 50 20 HBGD Cc1cc(C(=O)NCC(=O)N2CCCC23CN(C(=O)CCC(=O)NN(C)C)C3)no1 1844310117 KBBBPRJFEZCUSW-UHFFFAOYSA-N 420.470 -0.711 50 20 HBGD Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NNC(=O)C(=O)NC2CC2)C1 10215242 OKBSFZGOYTVVOE-NSHDSACASA-N 413.456 -0.882 50 20 HBGD CNS(=O)(=O)Cc1ccc(CNC(=O)NNC(=O)CNC(=O)c2ccco2)cc1 725872671 QEJASKZXIOODOT-UHFFFAOYSA-N 423.451 -0.411 50 20 HBGD CCS(=O)(=O)CCNC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 727943476 KKEBENAOWQHBLJ-UHFFFAOYSA-N 411.528 -0.036 50 20 HBGD O=C(NNC(=O)c1ccccc1O)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12 731558793 OGNLGSYBHNKWEU-UHFFFAOYSA-N 400.376 -0.122 50 20 HBGD CCN=c1nc(NCC)n2c(SCC(=O)NNC(=O)c3c[nH]nc3C)n[nH]c2n1 731879169 MWXGKJXLAVAZDV-UHFFFAOYSA-N 419.475 -0.610 50 20 HBGD Cn1cc(N2CC[C@@H](NC(=O)NNC(=O)CNC(=O)c3cccs3)C2=O)cn1 735512825 OCXCOHTVYJUIIP-LLVKDONJSA-N 405.440 -0.653 50 20 HBGD CCS(=O)(=O)N1CCC[C@H](C(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)C1 744843546 LUKJZHVTFMNUOC-HNNXBMFYSA-N 422.463 -0.076 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCc2nnnn2C2CC2)cc1 745909695 FCAWRWLYIXDXGM-UHFFFAOYSA-N 422.471 -0.532 50 20 HBGD COc1ccc(NCC(=O)NNC(=O)CCc2nc3c(O)nc(=O)n(C)c3[nH]2)cc1 746232702 YHKIRGAGVWYHGA-UHFFFAOYSA-N 415.410 -0.437 50 20 HBGD O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NNC(=O)Cc1cn2ccccc2n1 746549562 AEELOYKJBUQSNW-UHFFFAOYSA-N 412.431 -0.237 50 20 HBGD C[C@H](NC(=O)c1n[nH]c2ccccc12)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 746593739 HDAPMLBBTDEXAS-VHSXEESVSA-N 408.440 -0.801 50 20 HBGD CC(C)N1C(=O)c2ccc(C(=O)NNC(=O)C(=O)N3CCCC3)cc2S1(=O)=O 748238861 AXBPCMUVINLZSH-UHFFFAOYSA-N 408.436 -0.377 50 20 HBGD CCn1c(NNC(=O)CCn2cc(S(N)(=O)=O)cn2)nc2ccccc2c1=O 749387186 SYBYBTKTXGLCFI-UHFFFAOYSA-N 405.440 -0.206 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)NC[C@H]2CCCN2S(C)(=O)=O)cc1C 753696332 VQJSRNBVWZDMMS-CQSZACIVSA-N 411.484 -0.004 50 20 HBGD CN(C)c1c(Cl)cccc1NC(=O)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 763997417 LEKCOSJJMIWJET-SECBINFHSA-N 402.860 -0.073 50 20 HBGD N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NNC(=O)c2cccs2)cc1 769640431 RROZIYUEJASWJC-UHFFFAOYSA-N 422.444 -0.098 50 20 HBGD COCCCS(=O)(=O)N1CCN(CC(=O)NNC(=O)c2cccs2)CC1 770251931 NAHUDFVIKCSEIF-UHFFFAOYSA-N 404.514 -0.507 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3ccncn3)CC2)cc1 778999075 YALROQSXZPRUKU-UHFFFAOYSA-N 418.479 -0.447 50 20 HBGD NC(=O)c1ccc(CC(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1 792607158 QOQDWQLDTYLKHZ-UHFFFAOYSA-N 423.473 -0.067 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)cc1 801110777 GXERRUDJVDLZJG-UHFFFAOYSA-N 424.417 -0.351 50 20 HBGD COC(=O)CCOc1ccc(S(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 917731177 FIOPDFINVMXDQW-LLVKDONJSA-N 420.465 -0.627 50 20 HBGD NC(=O)c1ccc(/C=C\C(=O)N2CCC[C@H]2C(=O)NNC(=O)C(=O)NC2CC2)cc1 920017712 DIPKZHNEHZVDBU-ANOSYLROSA-N 413.434 -0.784 50 20 HBGD CN(C)S(=O)(=O)c1ccc(C(=O)NNc2nccc(N3CCOCC3)n2)cn1 1116661540 FFHOGFXCSYHSSO-UHFFFAOYSA-N 407.456 -0.285 50 20 HBGD Cn1nc(SCC(=O)NN=C2CCC(CS(C)(=O)=O)CC2)c(=O)n(C)c1=O 1261235682 DFBHAEWOHLECKW-UHFFFAOYSA-N 417.513 -0.722 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CNC(=O)C2)C1 1781780159 QLMYTQAMSULWRA-UYAYXHRUSA-N 401.891 -0.110 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1784118187 XMYBTKDCEVMAQL-ZBEGNZNMSA-N 414.256 -0.475 50 20 HBGD CCNC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](Cl)COC)[C@H]2C1 1791255520 RVRBGLBUUGBXDY-QTVXIADOSA-N 418.922 -0.073 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@H]3C=CS[C@H]31)C2)c1ccc(B(O)O)cc1 1795736745 IRWLNPJCHSZTNT-YFXBATGZSA-N 414.292 -0.555 50 20 HBGD C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796188014 UPDGDPGEZFPADB-SJWGOKEGSA-N 422.312 -0.701 50 20 HBGD C[C@H](Nc1cnccn1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796188706 KOVYPQGSNIIMFG-RUGDWHBFSA-N 423.282 -0.091 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2nncn2c1)c1cccc(B(O)O)c1 1798123813 TYXWXXZZZCJINA-BCDXTJNWSA-N 419.250 -0.025 50 20 HBGD NC(=O)CC[C@H](N)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](O)CCl)CC1 1824181759 LMUKVRMUYCPEBZ-ZNMIVQPWSA-N 402.923 -0.201 50 20 HBGD CN(C)C(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)CCl)C2)C1 1830038118 CBVZXMWPDDUYQI-GOSISDBHSA-N 418.922 -0.021 50 20 HBGD CNC(=O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)CBr)CCO2 1830533856 UEHNEDBXBORYFF-BLLLJJGKSA-N 420.304 -0.390 50 20 HBGD CC/C=C(\C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835933593 CTULWDCKPQLLKP-MYNVMIGVSA-N 416.283 -0.207 50 20 HBGD C[C@H](NC=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837714375 AVYPFGOXVFBBNB-WMLDXEAASA-N 401.536 -0.571 50 20 HBGD O=C(c1cc(O)n[nH]1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839199836 WDXICNUYTVYACH-RISCZKNCSA-N 421.223 -0.124 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(CO)on3)C2)C1 1840154179 OFLZHOUAMBEIPC-GUYCJALGSA-N 417.846 -0.509 50 20 HBGD COc1ccc(OCCCS(=O)(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 727353878 ZVXJPWWXWBXNRD-LBPRGKRZSA-N 406.482 -0.151 50 20 HBGD Cc1nn(C)c(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1[N+](=O)[O-] 728333624 KMVMBQBOIQAYTG-GFCCVEGCSA-N 419.350 -0.219 50 20 HBGD CCCOC(=O)c1ccc(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1 728510759 SOLLRYZZMVWTDU-JTQLQIEISA-N 407.470 -0.499 50 20 HBGD Cc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1C 729276584 HOLRTOJRJNIWID-LBPRGKRZSA-N 420.513 -0.943 50 20 HBGD CCS(=O)(=O)N1CCC(C(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)CC1 732263411 MFRQGGFATKCVGN-OKILXGFUSA-N 404.533 -0.305 50 20 HBGD COC(=O)c1c(C)cccc1S(=O)(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 747406447 BADUYNJNWLGSBA-JTQLQIEISA-N 405.454 -0.539 50 20 HBGD CCCOc1ccc(C(=O)NNC(=O)Cn2cc(S(N)(=O)=O)cn2)cc1OC 748546663 KWHOSSLVQBZEGT-UHFFFAOYSA-N 411.440 -0.211 50 20 HBGD C[C@@](O)(CN1Cc2ccccc2C1=O)C(=O)NNC(=O)CNC(=O)c1ccco1 756820702 VWMCMIFXBDEQBX-LJQANCHMSA-N 400.391 -0.436 50 20 HBGD CC(C)NC(=O)CN(C)CC(=O)N1CCN(S(=O)(=O)CBr)CC1 758522391 HDZMFADYXUAJLF-UHFFFAOYSA-N 413.338 -0.731 50 20 HBGD CN(C)C(=O)Cn1cc(NC(=O)C(=O)NNC(=O)COc2ccc(Cl)cc2)cn1 763686752 SUHJFFPRQYHEPW-UHFFFAOYSA-N 422.829 -0.210 50 20 HBGD CNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)cc1 764166599 DODSNRXWKNTXAM-HNNXBMFYSA-N 418.431 -0.316 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(C(=O)C(C)(C)C)cc1 764226618 JIUMISDHISXJBN-JTQLQIEISA-N 412.468 -0.061 50 20 HBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cnc1C 793350013 CLMSRHHCVWDJPL-UHFFFAOYSA-N 417.407 -0.224 50 20 HBGD O=C(NNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)Nc1ccc2c(c1)OCO2 802099563 MFAWTFGFTGDHNY-ZYHUDNBSSA-N 424.435 -0.396 50 20 HBGD Cc1ccc(NC(=O)C(=O)NN=Cc2c(N(C)C)n(C)c(=O)n(C)c2=O)cc1C 807958399 WQQBRKJDVGIYTG-UHFFFAOYSA-N 400.439 -0.144 50 20 HBGD O=C1COc2c(cccc2NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)N1 810385432 RXJLNIJHJRLUOC-CQSZACIVSA-N 412.358 -0.057 50 20 HBGD COc1ccc(C(=O)NNC(=O)COC(=O)CN2CCCS2(=O)=O)cc1OC 919359578 ITGYMWRDXAMCGQ-UHFFFAOYSA-N 415.424 -0.957 50 20 HBGD CC[C@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](N)CN)C2 1781899949 DXLROTPUYWNBEZ-BCUIYNNISA-N 405.337 -0.040 50 20 HBGD Cc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)n1 1786984666 WYDSAKFUNGWSSM-QRFRQXIXSA-N 423.278 -0.023 50 20 HBGD CC[C@@H](NC(N)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1796757834 ATVHCSHNAHCLQR-QKPAOTATSA-N 402.260 -0.935 50 20 HBGD CCC[C@H](NC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1804207229 BFJYWNWFZOWEHT-RDGPPVDQSA-N 415.299 -0.077 50 20 HBGD CN[C@H](CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](O)CCl)CC2)C(=O)O 1815072924 MHGNKUGXSNVGCL-QNSHHTMESA-N 404.876 -0.283 50 20 HBGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ncon1)CC2)c1ccc(B(O)O)cc1 1815344076 GMZBSZHLSSMCJV-LLVKDONJSA-N 413.224 -0.255 50 20 HBGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CNC(N)=O)[nH]n1 1822417207 CENHLXZHQBILED-LBPRGKRZSA-N 408.463 -0.557 50 20 HBGD Cc1cc(C)n(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)n1 1830724607 ADHMDBBTHAVBBA-CRAIPNDOSA-N 414.890 -0.444 50 20 HBGD CCCNC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830727041 ZSEJSPCMXSQAQS-RDTXWAMCSA-N 419.906 -0.651 50 20 HBGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnnn3C)CCO2)C1 1833236785 UHSCOWKICJOCQI-XHDPSFHLSA-N 416.276 -0.332 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccncc1)CCO2 1834020997 IFILIQZQHHOVCY-FQEVSTJZSA-N 419.482 -0.475 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=N)N)CCO2)C1 1835574146 GFKPIUUHADBQPI-CABCVRRESA-N 410.302 -0.838 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC3(F)F)C2)C1 1835930562 NGLVTOUCYGOKKU-QAPCUYQASA-N 424.209 -0.908 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cnnn3)C2)C1 1839152158 PMSRBRVAEPYLEC-HUUCEWRRSA-N 421.285 -0.634 50 20 HBGD C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C(Cl)Cl)CCO2)C1)n1cnnn1 1840190580 CHWLCOWNOBRNFF-HZMBPMFUSA-N 407.258 -0.506 50 20 HBGD Cc1ccc(OCC(=O)NNC(=O)CNS(=O)(=O)c2cn(C)c(C)n2)cc1C 726765155 GARGUFDDZUDFDU-UHFFFAOYSA-N 409.468 -0.150 50 20 HBGD CCCn1c(=O)n(CCC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c2ccccc21 729275100 KYRBZLHXMBXLEY-GFCCVEGCSA-N 411.484 -0.312 50 20 HBGD Cn1c(=O)c2ccc(C(=O)NNC(=O)c3cnn(-c4ccccc4)c3)nc2n(C)c1=O 733109801 GRJFNBJTBRZHRU-UHFFFAOYSA-N 419.401 -0.107 50 20 HBGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)c1 742535417 RSDTWYYWJUEITJ-QHSBEEBCSA-N 421.431 -0.987 50 20 HBGD O=C(CO)NNC(=O)CN1CCN(Cc2ccc(Br)cc2F)CC1 753442439 GNTPYKXTGZXUGC-UHFFFAOYSA-N 403.252 -0.155 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CN(C)C)c(C)c1S(=O)(=O)NC1CC1 764204291 QCNFHXJAJHQROJ-UHFFFAOYSA-N 411.484 -0.608 50 20 HBGD CS(=O)(=O)c1ccccc1NNC(=O)NCCS(=O)(=O)N1CCOCC1 765732639 QCVGKJOEBIXFSD-UHFFFAOYSA-N 406.486 -0.622 50 20 HBGD CCOC(=O)CNC(=O)[C@@H]1COCCN1CC(=O)NNC(=O)c1cccc(C)c1 781905813 SBQUOYWWLRLIKE-HNNXBMFYSA-N 406.439 -0.864 50 20 HBGD CC(C)[C@H](NCC(=O)NNC(=O)C(C)(C)C)C(=O)N(C)Cc1nnc2n1CCC2 791622396 CZCOSLMGDNPJSP-INIZCTEOSA-N 407.519 -0.010 50 20 HBGD NC(=O)c1cc(Br)cc(S(=O)(=O)NNC(=O)N2CCOCC2)c1 799526215 CASYMRXIQGGVPQ-UHFFFAOYSA-N 407.246 -0.217 50 20 HBGD COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)C(=O)N1CCCC1 806717805 PRAUSDZEZHTHIX-LLVKDONJSA-N 400.432 -0.397 50 20 HBGD O=C(NNC(=O)C1(S(=O)(=O)c2ccccc2)CCOCC1)C(=O)N1CCCC1 813429783 UEMDOHFDXOTTER-UHFFFAOYSA-N 409.464 -0.221 50 20 HBGD CC(=O)N(c1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)cc1)[C@@H]1C[C@@H]1C 815570959 PXTKHPSJXKYRGJ-XZJROXQQSA-N 404.423 -0.051 50 20 HBGD CCOc1ccccc1OCC(=O)NNC(=O)[C@H]1CCCN(S(N)(=O)=O)C1 816810193 CEVRCYDREJXCNU-LBPRGKRZSA-N 400.457 -0.473 50 20 HBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)[C@H]1CCOC1 921146241 PIALUHXMLDCITI-HNNXBMFYSA-N 411.480 -0.176 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3ccno3)CCO2)C1 1779028285 IPUPRDSFFQIJNL-GOSISDBHSA-N 400.395 -0.570 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3ccncc3O)C2)C1 1779407616 WMMJVSWCPZKILP-HXUWFJFHSA-N 411.223 -0.776 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)no3)C2)C1 1779677858 ODEMHMMNAQBNOW-GOSISDBHSA-N 416.394 -0.864 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3cncc(O)c3)C2)C1 1783618679 VGEDJZDLDILGLG-FQEVSTJZSA-N 411.223 -0.776 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1783879047 NTIANFLXQNEHDB-QMTHXVAHSA-N 415.796 -0.251 50 20 HBGD CN[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)CBr)C2)C(=O)O 1795641559 RZHCYENIAIAJIE-VXUPGSCNSA-N 420.304 -0.330 50 20 HBGD CC[C@@H](NC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Br 1799347611 RCKSXHVZQYIRRX-RCZSTQMZSA-N 409.256 -0.287 50 20 HBGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NN(C)C(=O)CC1)C2 1802333215 MVWWJHMNICMPAL-BTTYYORXSA-N 406.487 -0.394 50 20 HBGD N=C(N)NCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827050764 FQGJNXDPHKNHIH-KRWDZBQOSA-N 415.303 -0.917 50 20 HBGD CN1CCCC[C@H]1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830720013 QRNSIUUWULGPKE-RLFYNMQTSA-N 403.907 -0.473 50 20 HBGD Cc1nnc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)s1 1836074970 FWZVFVPJOAHFIB-WBMJQRKESA-N 418.903 -0.555 50 20 HBGD Nc1n[nH]c(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Cl)C3)C2)n1 1837272343 SLRIUYRRLFAYGH-WFASDCNBSA-N 404.830 -0.690 50 20 HBGD O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1840043796 UWDLWDFSBBLDBU-GXTWGEPZSA-N 407.192 -0.779 50 20 HBGD CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](Cl)COC)CCO2)C1 1840149404 OFMZPBXABASTPZ-HDMKZQKVSA-N 419.906 -0.389 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)/C=N/N1CCCCC1)C2 1844264426 ROTMFPXIFGYYNH-FSJBWODESA-N 413.482 -0.026 50 20 HBGD COc1ccc(C(C)=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1OC 254823194 WONPOPMFJKATOH-UHFFFAOYSA-N 414.422 -0.009 50 20 HBGD CC(C)(C)S(=O)(=O)N1CCC(NC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)CC1 755899092 KHICPHQBCIRZSR-HNNXBMFYSA-N 410.562 -0.040 50 20 HBGD CCOc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1OCC 764231710 OYFPIXNYMALDNP-JTQLQIEISA-N 416.456 -0.492 50 20 HBGD Cc1ccc(C)c(S(=O)(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 765127069 SYXCKTXZIVOPKK-UHFFFAOYSA-N 420.451 -0.940 50 20 HBGD CS(C)(=O)=NS(=O)(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 821118666 DXCGEZZWWZVCFG-UHFFFAOYSA-N 424.526 -0.322 50 20 HBGD CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NNC(=O)Cn2nc(C)cc2C)cc1 913025761 HNLWPPADXQWMDZ-UHFFFAOYSA-N 422.467 -0.416 50 20 HBGD C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)C2=O 919885460 PDEKLKMYMAWSNW-OHUAYANFSA-N 415.472 -0.995 50 20 HBGD Cn1nnnc1Sc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)CN1CCCC1=O 920825956 GXKFHJQYIVFUNX-UHFFFAOYSA-N 420.411 -0.347 50 20 HBGD O=C(NC1CC1)c1cccc(S(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 1337568890 OQQJPHZKIXWFBV-LLVKDONJSA-N 401.466 -0.677 50 20 HBGD Cn1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n1 1779030747 HOSZPZNYNKUSQZ-LJQANCHMSA-N 413.438 -0.824 50 20 HBGD CN(CC(=O)N1CC[C@]2(CN(C(=O)CN)CCO2)C1)NC(=O)NCc1ccccc1 1780968733 DTUYADUMPYHTJV-HXUWFJFHSA-N 418.498 -0.879 50 20 HBGD N=C1NCCN1CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781330487 AYPRVEZTKVIFAR-SMDDNHRTSA-N 406.256 -0.653 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)CS(C)(=O)=O)CCO2)C1 1783871480 RXIHSALTGWXQBK-DVOMOZLQSA-N 410.920 -0.249 50 20 HBGD C[C@@](Cl)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21 1789865683 BHDVSHXYOKZJOT-JUFZMCDQSA-N 405.286 -0.111 50 20 HBGD Cc1ccnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c1 1796531438 UMWRJRSIMAPIGU-HGKCTWBKSA-N 409.251 -0.413 50 20 HBGD Cc1cnc2c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@@H](O)CCl)C4)cnn2c1 1797417787 CLGDVECFRFMYIX-NEBZKDRISA-N 407.858 -0.159 50 20 HBGD CN[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CO[Si](C)(C)C)C(=O)O 1797954912 RXJJWOYRIUMUKD-ZWUHOBOKSA-N 401.536 -0.510 50 20 HBGD CCn1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)cc1C 1798232557 MWKBCKIAHDVMOV-CCWDJLKJSA-N 420.514 -0.212 50 20 HBGD CCNC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](Cl)COC 1800977259 WIGCJEXAQMCEGN-HPCHECBXSA-N 404.895 -0.463 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1CCCC1 1802192483 PQDPRENXLXALSC-CWPLJXCYSA-N 409.531 -0.565 50 20 HBGD CC(C)(C)OC(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1831986848 SHEBXUNCSWKGOT-UGSOOPFHSA-N 420.890 -0.226 50 20 HBGD O=C(c1coc(Cl)n1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1833551929 FAOUMMTUBNOENW-XHDPSFHLSA-N 408.238 -0.002 50 20 HBGD O=C(c1ccc(F)cn1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1834473133 OMDVBRGNBQDECO-WMLDXEAASA-N 401.822 -0.110 50 20 HBGD O=C(CCN1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1835129058 ZSNBUCXMOZOFPF-LPHOPBHVSA-N 417.934 -0.082 50 20 HBGD O=C(CCN1CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1835129059 ZSNBUCXMOZOFPF-QFBILLFUSA-N 417.934 -0.082 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3nnc(C)o3)CCO2)C1 1836028750 LOPZMLBMUROYOR-DYVFJYSZSA-N 416.862 -0.369 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(CO)on3)CCO2)C1 1838805607 PCUHHOGIKOLCQK-GUYCJALGSA-N 417.846 -0.509 50 20 HBGD O=C(Cn1cncn1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839199754 SZPGQSRJROQTIX-OCCSQVGLSA-N 420.239 -0.575 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1839236816 MIOTXOJMYMTNKS-HOTGVXAUSA-N 420.297 -0.029 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)cco3)C2)C1 1840150772 QOKLIFHXELDRJA-KBXCAEBGSA-N 414.842 -0.036 50 20 HBGD O=C(Cc1ccc(O)cn1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840494892 YCQKHZNXSUFPPH-MAUKXSAKSA-N 413.858 -0.614 50 20 HBGD CC[C@@H](Br)C(=O)N1CC2(CCCN2C(=O)C[C@@H]2NC(=O)NC2=O)C1 1841962978 QPUIKPFOFIBAAA-ZJUUUORDSA-N 401.261 -0.039 50 20 HBGD CC(=O)O[C@H](C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1)C(C)C 1843011513 LCJGOLRDNMHLNC-KRWDZBQOSA-N 402.256 -0.229 50 20 HBGD Cc1nc(C(=O)N2CC3(CCCN3C(=O)CCC(=O)NN(C)C)C2)c(=O)[nH]c1C 1846384256 VTHPNGBWQLZPGM-UHFFFAOYSA-N 404.471 -0.423 50 20 HBGD COc1cc(C(C)=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)ccc1O 254733607 YOEATUGHSSHHGE-UHFFFAOYSA-N 400.395 -0.312 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CN3CSCC3=O)cc2)CC1 728212710 AFXAJELLDNMHCU-UHFFFAOYSA-N 413.525 -0.401 50 20 HBGD CC[C@@H](C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1)N1CCCC1=O 745691878 PSHKSPLHOFDZFA-SWLSCSKDSA-N 405.407 -0.082 50 20 HBGD O=C(NNC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)C(=O)N1CCCC1 748247542 RCIIJAPDMHRFFK-CQSZACIVSA-N 424.479 -0.473 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CC(=O)N(c2c(F)cccc2F)C1 758024290 BYERYKMBZIAODY-BDAKNGLRSA-N 404.395 -0.597 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NN=Cc3cnnn3C)CC2)cc1 764815525 DHWORCZWFXQASQ-UHFFFAOYSA-N 405.484 -0.420 50 20 HBGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@@H]2COCCN2CC(F)F)n1 786951771 RRHGUOFBIGYAKK-JTQLQIEISA-N 406.411 -0.349 50 20 HBGD COc1ccc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)c(NS(=O)(=O)C(F)F)c1 864230629 BHRXPJHZRVUSNS-MRVPVSSYSA-N 414.217 -0.103 50 20 HBGD CN(C)S(=O)(=O)c1c[nH]c(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)c1 915190533 BRYXYGPDPFWXMO-UHFFFAOYSA-N 418.435 -0.413 50 20 HBGD CNC(=S)NCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](Cl)COC)CCO2 1779042521 YLLAPKPOCYQXLD-WBMJQRKESA-N 406.936 -0.446 50 20 HBGD CC(C)(CCl)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1779085941 YDUXGDAGPIGUFL-RDTXWAMCSA-N 403.907 -0.268 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)CSc3nc[nH]n3)C2)C1 1784395165 ZURVUXRALABHQW-ABAIWWIYSA-N 403.892 -0.020 50 20 HBGD Cn1cncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786979491 PJYLLDCVAVUKBK-ZVZYQTTQSA-N 412.255 -0.993 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)c1cc2n(n1)CCCO2 1788346814 RKQTYRJAGZLFAH-JURCDPSOSA-N 412.874 -0.141 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccn3C)C[C@@H]21 1791288617 MHYHLEMXVQHNFH-ZOBUZTSGSA-N 405.499 -0.009 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(O)nc3)C[C@@H]21 1791290617 CCJSROGFTUTAMS-JYJNAYRXSA-N 419.482 -0.247 50 20 HBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(O)O 1792794885 NPVILRHXZTWCGE-USZNOCQGSA-N 421.878 -0.981 50 20 HBGD CC(C)O[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1797860200 QTDVFILOUWVZPO-NYCLONFESA-N 404.272 -0.617 50 20 HBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CSCC(=O)O 1802351956 CQSUWTICSCJDFG-ZSBIGDGJSA-N 421.479 -0.245 50 20 HBGD C[C@H](NC=O)C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815360028 JDLKAHXEQNZCGK-GWCFXTLKSA-N 416.268 -0.817 50 20 HBGD Cn1nncc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817471384 XQCYVHWHWVUOJM-HNNXBMFYSA-N 423.242 -0.162 50 20 HBGD CCOC(=O)N[C@H](O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](O)CCl)CC2 1819458853 XGMVZCPYCYORMN-WIMUKIRHSA-N 420.875 -0.281 50 20 HBGD C[C@H](NC=O)C(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826088398 FUHBQBXJTBTXHQ-QWRGUYRKSA-N 410.500 -0.437 50 20 HBGD CNc1nsnc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830720384 YNSCFOJZAYOJIW-ZUZCIYMTSA-N 419.891 -0.751 50 20 HBGD C[C@@H](Br)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)CN)CC2)CC1 1835068196 PELJJXDIMCVSST-RISCZKNCSA-N 404.353 -0.373 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)C1 1835124526 HOBYJTJXCXRBHS-AFAVFJNCSA-N 422.309 -0.042 50 20 HBGD CN[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)CCl)C2)C1)C(=O)O 1835751799 IKYVCPYQAQZVLI-UGSOOPFHSA-N 419.906 -0.230 50 20 HBGD C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837460350 CKNALTDZTHTILE-SGTLLEGYSA-N 423.495 -0.927 50 20 HBGD Cn1c(=O)nc(O)c2cc(S(=O)(=O)NNC(=O)[C@@H]3Cc4ccccc4O3)cnc21 728506466 QUMFWTOUSPOVJN-ZDUSSCGKSA-N 417.403 -0.653 50 20 HBGD O=C(COC(=O)C1(C(=O)NC2CC2)CCC1)NNC(=O)[C@H]1COc2ccccc2O1 729740248 FWNUSMLXHSGURO-OAHLLOKOSA-N 417.418 -0.034 50 20 HBGD CCC[C@@H](NC(N)=O)C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 748619565 KOCMOTPCCFTIKS-OAHLLOKOSA-N 412.516 -0.097 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cnc(S)n1-c1ccc(F)cc1 758029452 LLAPAQCDOODFPF-QMMMGPOBSA-N 401.445 -0.001 50 20 HBGD CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1cc([N+](=O)[O-])ccc1O 758116617 GXBBIZHREHCLHV-UHFFFAOYSA-N 415.366 -0.412 50 20 HBGD Cc1nc(S(=O)(=O)NCCC(=O)NNc2nccc(N3CCOCC3)n2)cn1C 762861482 QPODPDJOOBUYKH-UHFFFAOYSA-N 424.487 -0.833 50 20 HBGD CC[C@@H](C)C(=O)NNC(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 764081202 HPJGUTBOWRTJID-CJNGLKHVSA-N 418.450 -0.167 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(OC2CCC2)c(F)c1 764226096 FSGJZDGMSCVNIT-SECBINFHSA-N 416.431 -0.219 50 20 HBGD COC(=O)c1ccc(Cl)cc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 764228165 VBXYRNOYJWAUBE-ZETCQYMHSA-N 420.831 -0.850 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Cc2c(F)cccc2Cl)n(C)c1=O 765725427 RVAYIHFSLNCOIB-UHFFFAOYSA-N 422.804 -0.384 50 20 HBGD N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)cn1 767851763 UJKZQPSVWKZMDE-UHFFFAOYSA-N 409.287 -0.058 50 20 HBGD CCN1CCN(CC(=O)NNc2nc(O)c3cnn(C(C)(C)C)c3n2)C(=O)C1=O 770959785 ZQHRQFQIZMFHOP-UHFFFAOYSA-N 404.431 -0.579 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)C3(O)CCC3)CC2)cc1 773394342 YXYGYEWPOFJQOP-UHFFFAOYSA-N 410.496 -0.636 50 20 HBGD C[C@H]1CN(CCC(=O)NNC(=O)Cn2c(=O)nc(O)c3ccccc32)C[C@H](C)O1 793101904 LHKIIBDOPUTIEQ-STQMWFEESA-N 403.439 -0.251 50 20 HBGD CC(C)NC(=O)C(=O)N1CCN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1 795248397 BLYHYRWMFONBRY-UHFFFAOYSA-N 420.426 -0.975 50 20 HBGD CN(C)c1noc(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)n1 812219784 PFRXLVJBZNQVRC-UHFFFAOYSA-N 411.444 -0.470 50 20 HBGD N#Cc1ccc(C(=O)NNC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)cc1 812980741 XTLVMMJQGCOUTQ-UHFFFAOYSA-N 420.429 -0.110 50 20 HBGD COCCn1nnc2c1CCN(CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)C2 815129570 CEKZLPCQLMWRRA-UHFFFAOYSA-N 403.399 -0.348 50 20 HBGD CCN1CCN(CC(=O)NNC(=O)c2ccc(Br)s2)C(=O)C1=O 916145005 HMQWYKFWXWNCNR-UHFFFAOYSA-N 403.258 -0.038 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1783934598 DOJLYAGFKXPAOK-IBGZPJMESA-N 402.455 -0.297 50 20 HBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc(C)c(C)[nH]c1=O 1794312515 TXIYCEFOABGHIR-CRWXNKLISA-N 412.874 -0.156 50 20 HBGD CC(=O)C[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795736931 RKJQXWOWHOOHAZ-GMLZMKKNSA-N 402.256 -0.815 50 20 HBGD CCOCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797753998 IOIYLEDUQMIPRT-FVCICTRLSA-N 405.455 -0.685 50 20 HBGD COC[C@@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@](C)(Cl)CCl 1799277180 SUSQEWIDXPPCMD-QFRSUPTLSA-N 424.325 -0.037 50 20 HBGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCCC1=O)C2 1800756047 DSXNCCHJZCSRIR-MCYUEQNJSA-N 402.289 -0.018 50 20 HBGD O=C1CN(CC(=O)N2CC[C@H](CNC(=O)[C@@H](O)CCl)[C@H]2c2cccnc2)C(=O)N1 1803135666 FKWCYLVSEGJVJB-DVOMOZLQSA-N 423.857 -0.761 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)OC)CCO2)C1 1834857156 SBXPSRGBSDMPFG-SUMWQHHRSA-N 406.863 -0.350 50 20 HBGD C/C=C(\C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939920 NVBOJGIVAZKTRS-NVGMFHGRSA-N 402.256 -0.597 50 20 HBGD C[C@@H](CS(C)(=O)=O)C(=O)N1CCCC12CN(C(=O)CCC(=O)NN(C)C)C2 1841620115 VBEIDRMIYVNWIP-ZDUSSCGKSA-N 402.517 -0.757 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)[C@H](C)n1cnnn1)C2 1843417316 VYVYVHZOALBDIR-XMOVILSBSA-N 413.442 -0.429 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1cccn3c(O)nnc13)C2 1846384866 SSHOJOYHOXAOLJ-UHFFFAOYSA-N 415.454 -0.375 50 20 HBGD CN(C)S(=O)(=O)c1ccc(F)c(C(=O)NNC(=O)CNC(=O)c2ccco2)c1 725740773 YCGHAZKLPKAMFG-UHFFFAOYSA-N 412.399 -0.140 50 20 HBGD CCCn1c(CCC(=O)NNC(=O)CN(C)C)nc2cc(S(N)(=O)=O)ccc21 733360752 QCTUUIOEDOIJFU-UHFFFAOYSA-N 410.500 -0.265 50 20 HBGD CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)CN(C)C 733361266 XAEXBYPRZQNGAA-GFCCVEGCSA-N 406.505 -0.065 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNC(=O)NC2CCCC2)c1 744469918 JJLHITGPFMHDDU-UHFFFAOYSA-N 411.484 -0.060 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 755366420 JJCDWHXYXUUZJP-VIFPVBQESA-N 407.474 -0.973 50 20 HBGD CC(=O)N1CCCC[C@@H]1C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 756239672 CJHRHHSCIAYYCS-CJNGLKHVSA-N 405.407 -0.082 50 20 HBGD COC(=O)C[C@H]1C(=O)NCCN1CC(=O)NNC(=O)c1cc(Cl)ccc1OC 779033712 NRDUZIVZWPVQSQ-LBPRGKRZSA-N 412.830 -0.527 50 20 HBGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)C1CCC2(CC1)NC(=O)NC2=O 794063183 AJISHRHEAXPFMR-UHFFFAOYSA-N 417.422 -0.171 50 20 HBGD Cn1cc([C@@H]2C[S@@](=O)CCN2CC(=O)NNC(=O)c2cccc(C#N)c2)cn1 805751927 SRHJSXPYFJWEHM-OLRZCDJHSA-N 400.464 -0.142 50 20 HBGD COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NNC(=O)[C@@H]1CCc2nncn2C1 816872974 UYKQYLHGDXEPMU-SNVBAGLBSA-N 418.366 -0.204 50 20 HBGD COc1cc(C(=O)NCC(=O)NNC(=O)CN2CCCC2=O)ccc1OC(F)F 920827874 YWHCDZUAFRICRE-UHFFFAOYSA-N 414.365 -0.204 50 20 HBGD CC(C)N(C)CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779034131 NTXNHILZTPOAJJ-FQEVSTJZSA-N 418.498 -0.531 50 20 HBGD CN[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CBr)C(=O)O 1792867423 ABPWQGZOCGZFQH-YGEZULPYSA-N 420.304 -0.330 50 20 HBGD Cc1[nH]nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c1F 1795737184 BJGBPTJXKKVUMB-YWVIFJGQSA-N 416.218 -0.946 50 20 HBGD CCn1nccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795737405 DIFREQRBODRHRH-JLVBRIDZSA-N 412.255 -0.900 50 20 HBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796405279 IPNIKBOXTPXDTL-LMLFDSFASA-N 401.807 -0.225 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@@H]1CCOC1)C2 1801012170 KAKYBVQIEDAQPE-IHSNIMORSA-N 410.515 -0.234 50 20 HBGD Cn1c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cccc1=O 1833869597 OWESHSKUYUKAHB-RDTXWAMCSA-N 413.858 -0.945 50 20 HBGD O=C(NC1CCN(C2CCN(C(=O)CN3C(=O)CNC3=O)CC2)CC1)[C@H](F)Cl 1835078868 BJPDCEMWQLDIOW-HNNXBMFYSA-N 417.869 -0.356 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cc(C)[nH]n3)CCO2)C1 1837591542 QCVYDNLRWHZOJZ-QAPCUYQASA-N 414.890 -0.029 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1840035677 ZWADFVUSBXYIAV-MQIPJXDCSA-N 418.288 -0.638 50 20 HBGD CC(C)N1CCC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840581487 CVZFBLALLSHDQN-FCEWJHQRSA-N 417.934 -0.085 50 20 HBGD O=C(CN1CCCC1=O)NNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 726716483 DNQNZSJYSFQHEH-LBPRGKRZSA-N 402.407 -0.420 50 20 HBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCS(C)(=O)=O)c1 727943040 UYPVZXLWCLRTIH-UHFFFAOYSA-N 420.513 -0.294 50 20 HBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)[C@H](C)C#N)c(=O)n2Cc1ccccc1 733890614 HDFKRVNQXWICKZ-CYBMUJFWSA-N 423.433 -0.265 50 20 HBGD CN(C)N(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O)[C@H]1CCS(=O)(=O)C1 741175443 FTJDZSFKLWPSAQ-ZDUSSCGKSA-N 418.516 -0.442 50 20 HBGD Cn1c(=O)c2c(nc(Cl)n2CC(=O)NNC(=O)c2cccc(C#N)c2)n(C)c1=O 741846016 LNAQGJRJNBXDJM-UHFFFAOYSA-N 415.797 -0.580 50 20 HBGD CS(=O)(=O)CCCC(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 744621101 OXECEUZKULGWSK-UHFFFAOYSA-N 405.498 -0.025 50 20 HBGD O=C(CO)NNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 753445493 KKBKSEZIXAACJJ-UHFFFAOYSA-N 413.452 -0.612 50 20 HBGD COc1ccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1N1CCOC1=O 756820871 ZWKDJLOWKHSGMH-SECBINFHSA-N 415.428 -0.258 50 20 HBGD Cc1oc(C(=O)NNC(=O)CNC(=O)c2cccnc2)cc1S(=O)(=O)N(C)C 763821810 XTNSPXSDLHTWTA-UHFFFAOYSA-N 409.424 -0.576 50 20 HBGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(-n2nnnc2SC)c1 764401373 VXUSJONXHRIVGL-JTQLQIEISA-N 423.455 -0.478 50 20 HBGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccc(-n2cnc3ccccc32)nc1 764430625 XNGKKPWOCWHUCO-OAHLLOKOSA-N 410.390 -0.078 50 20 HBGD CC(C)NC(=O)c1ccc(Cl)c(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)c1 764434782 RIRIUNXZLQJZHH-CYBMUJFWSA-N 412.830 -0.021 50 20 HBGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)NC1CCN([C@@H]2CCC[C@@H]2O)CC1 767938095 QTKGFZGUCUNAMM-SJORKVTESA-N 414.470 -0.016 50 20 HBGD O=C(NNC(=O)[C@@H]1CC(=O)N(c2c(F)cccc2F)C1)N[C@H]1CCS(=O)(=O)C1 770706445 RADWLYIQCMWAFC-ZJUUUORDSA-N 416.406 -0.165 50 20 HBGD NS(=O)(=O)N1CCC[C@@H](C(=O)OCC(=O)NNC(=O)c2cccc(Cl)c2)C1 815267812 ZWWSACFINQIVDZ-LLVKDONJSA-N 418.859 -0.440 50 20 HBGD CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)ccc1Cl 815778687 BUIKIPAYPWBNAQ-LLVKDONJSA-N 418.859 -0.145 50 20 HBGD C[C@@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)n1cncn1 914046764 ZIPXHKXODSKRAP-LBPRGKRZSA-N 408.440 -0.679 50 20 HBGD COc1ccc(S(=O)(=O)NNC(=O)c2cccn2C)cc1[C@@]1(C)NC(=O)NC1=O 917729297 KEPCVAZUYWANJG-QGZVFWFLSA-N 421.435 -0.288 50 20 HBGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)CCN1CCCS1(=O)=O 918191616 IJKMEIHBEMIMRL-UHFFFAOYSA-N 423.539 -0.228 50 20 HBGD COC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1783620647 JYORACTXFMZULO-RCBQFDQVSA-N 419.482 -0.297 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCCS3(=O)=O)[C@H]2C1 1790748723 AHXRFFOPSMDTAH-SBJFKYEJSA-N 422.931 -0.203 50 20 HBGD C[C@@H](CBr)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN(CCO)CCO)C2 1792993501 LDZVRLMBRMRDCH-XQLPTFJDSA-N 420.348 -0.058 50 20 HBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@H]1C1CC1)C2 1797748605 LQIJEXVBWVIXRE-XIZOUUALSA-N 413.478 -0.066 50 20 HBGD O=C(c1cnn2cccnc12)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731781 PAEOMZMZUIFKLH-KSSFIOAISA-N 423.857 -0.601 50 20 HBGD Cc1cnn([C@H](C)C(=O)N2CCOC[C@]3(CN(C(=O)[C@H](O)CCl)CCO3)C2)c1 1830738604 QODBFTBXCCAWFF-IIDMSEBBSA-N 414.890 -0.191 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1839145327 DRXFOHBAUICLGS-SJCJKPOMSA-N 414.894 -0.207 50 20 HBGD O=C1NC[C@@H](C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)O1 1839198804 OAKPAKOEHBIEIM-BHDSKKPTSA-N 424.223 -0.758 50 20 HBGD NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1839863060 QICKTTNFZDYUEN-HNNXBMFYSA-N 406.277 -0.507 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3=COCC3)C2)C1 1840185144 LQDFNCBGDAXHGI-IBGZPJMESA-N 410.471 -0.880 50 20 HBGD CCC[C@@H](NC(C)=O)C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012603 FNHOWYUEYBRKRW-QGZVFWFLSA-N 401.272 -0.512 50 20 HBGD C[C@@H](C(=O)NC1CC1)N1CCN(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 28750455 XYVDAJYKBAPGEG-ZDUSSCGKSA-N 418.454 -0.360 50 20 HBGD CCCOC(=O)c1ccc(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1 728510760 SOLLRYZZMVWTDU-SNVBAGLBSA-N 407.470 -0.499 50 20 HBGD COc1ncnc(OC)c1C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 729874435 INXMGXWOZAJIDX-GFCCVEGCSA-N 418.362 -0.362 50 20 HBGD COc1cccc(NCC(=O)NNC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1 743295137 GDCAKLXQQOYKDA-DTDBQYNISA-N 416.434 -0.193 50 20 HBGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 744562652 PJQLRBRDRHKJQG-RPLLJCPNSA-N 422.397 -0.330 50 20 HBGD CS(=O)(=O)N1CCCC[C@@H]1C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1 744773067 LMWVXECPBXUXMZ-CQSZACIVSA-N 408.436 -0.323 50 20 HBGD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)Cc1ccncc1 747323369 XQZAKQZMAXILFG-UHFFFAOYSA-N 407.452 -0.555 50 20 HBGD Cc1c(C(=O)NNC(=O)COc2ccccc2O)cnc2c1c(=O)n(C)c(=O)n2C 747871275 ROTRYYAMFKOLST-UHFFFAOYSA-N 413.390 -0.514 50 20 HBGD CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)C1=O 752024002 QKQUKZKNZURGJP-WQBCIRTESA-N 417.422 -0.123 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccccc1CN1C(=O)CCC1=O 756220778 KHIFVIOMIKFWRH-SNVBAGLBSA-N 411.440 -0.574 50 20 HBGD CNc1nnc(CC(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)s1 759954740 HKGAQTHPLZXMEE-UHFFFAOYSA-N 417.495 -0.272 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc(F)c(F)c(F)c2)n(C)c1=O 765724532 LFRMGGNBEDFTHO-UHFFFAOYSA-N 410.312 -0.688 50 20 HBGD Cc1ccccc1CC(=O)NNC(=O)Cn1c(Cl)nc2c1c(=O)n(C)c(=O)n2C 767918308 ZYAYCLMJFZLDCT-UHFFFAOYSA-N 418.841 -0.214 50 20 HBGD Cn1nc(SCC(=O)NN=CCCNC(=O)OC(C)(C)C)c(=O)n(C)c1=O 771877459 QRAHYYNWQHDDHJ-UHFFFAOYSA-N 400.461 -0.412 50 20 HBGD CN1CCN(C(=O)NNC(=O)Cn2c(CS(C)(=O)=O)nc3ccccc32)CC1 773672801 KKMOQIKUOBRWPT-UHFFFAOYSA-N 408.484 -0.431 50 20 HBGD N#C/C(=C/c1ccc(O)cc1)C(=O)OCC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 778129939 MNXSQSLYOKOMKU-OTAKNEKHSA-N 407.404 -0.145 50 20 HBGD COC(=O)c1cnc(C(=O)N2CCN(S(=O)(=O)CBr)CC2)cn1 779676904 MKYMBXYKSGVOQI-UHFFFAOYSA-N 407.246 -0.297 50 20 HBGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1cnn(-c2ccncc2)c1 784004316 WASPZKHKTZOEFM-UHFFFAOYSA-N 413.419 -0.155 50 20 HBGD CC[C@@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)OC 790104142 PNMZHJAPEUHLLT-AWEZNQCLSA-N 413.452 -0.332 50 20 HBGD CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NNc2nc3ccccn3n2)s1 791243191 LZURWMVOGLVWDW-UHFFFAOYSA-N 423.480 -0.152 50 20 HBGD Cc1cccc(=O)n1C[C@@](C)(O)C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C 792174740 MLFXYLBIAITVTP-GOSISDBHSA-N 411.459 -0.237 50 20 HBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NN=Cc2cn(C)c(=O)n(C)c2=O)c1 839383687 MUGQUDZVRCIKOI-UHFFFAOYSA-N 421.479 -0.122 50 20 HBGD C[C@@]1(NNC(=O)NCCS(=O)(=O)NCc2ccccc2)CCS(=O)(=O)C1 916645184 IHMQGDSWTNOLEX-OAHLLOKOSA-N 404.514 -0.513 50 20 HBGD COC[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779028271 BGOGBZGLJNLXQZ-DJJJIMSYSA-N 405.455 -0.589 50 20 HBGD Cc1nccn1CC(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783937484 SHAGGVVUBHZXIY-LJQANCHMSA-N 406.487 -0.606 50 20 HBGD O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1785214014 HJDDTPGYDPIUJP-DEQVHRJGSA-N 415.834 -0.629 50 20 HBGD Cn1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)c1 1785857640 MGTORYUYYSJPSP-WDSOQIARSA-N 411.267 -0.388 50 20 HBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)Cn2cnnn2)[nH]n1)c1cccc(B(O)O)c1 1817474195 ANPKCOWHOBQOFX-OAHLLOKOSA-N 424.230 -0.918 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)COCCO)n[nH]1 1820928035 SANKJDBRUFCHSM-CQSZACIVSA-N 410.475 -0.216 50 20 HBGD CN(C)C(=O)NCC(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1833143475 MKUMKXCGQZCIPG-OAHLLOKOSA-N 417.938 -0.571 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCNC3=N)C2)C1 1839144280 UEAWBGFIJIWIPH-GUYCJALGSA-N 401.895 -0.700 50 20 HBGD CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841347677 BSOBREAHSXOQGM-NEPJUHHUSA-N 405.879 -0.325 50 20 HBGD C[C@H](NC(=O)NNC(=O)C(=O)N1CCCC1)c1cccc(S(=O)(=O)N(C)C)c1 727609181 IOQLBWCXQMPSGF-LBPRGKRZSA-N 411.484 -0.049 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(Br)cc1 728509539 HPQMBDYNFHGGFE-ZETCQYMHSA-N 400.276 -0.304 50 20 HBGD O=C(Cc1cc[nH]n1)NNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 730102651 JWDRGWHMQCQAPF-AWEZNQCLSA-N 407.452 -0.129 50 20 HBGD Cn1c(NNC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)nc2ccccc2c1=O 733260968 GAKRFJHRHJAUGV-UHFFFAOYSA-N 400.420 -0.126 50 20 HBGD O=C(NNC(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl)C(=O)NC1CC1 736067820 WDPWOJRJUSYYDZ-UHFFFAOYSA-N 400.844 -0.081 50 20 HBGD O=C(CCNC(=O)NNC(=O)[C@@H]1Cc2ccccc2O1)N[C@@H]1CCS(=O)(=O)C1 748330942 SYIRCVOLONGDIY-OCCSQVGLSA-N 410.452 -0.986 50 20 HBGD Cn1c(=O)ccn(CC(=O)NNc2ccc(S(=O)(=O)C(F)(F)F)cc2)c1=O 748521942 IMKSBZOUOLHODT-UHFFFAOYSA-N 406.342 -0.016 50 20 HBGD C[C@](O)(CN1Cc2ccccc2C1=O)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 756795774 BYPNYSPUWWEEQK-FQEVSTJZSA-N 421.417 -0.170 50 20 HBGD Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758028281 DBGHALPJSYXLKY-LLVKDONJSA-N 418.497 -0.766 50 20 HBGD C[C@H](CNC(=O)C(=O)NNC(=O)c1cc2c(s1)CCCCCC2)S(N)(=O)=O 763911309 IXARTPDMRCLASA-SNVBAGLBSA-N 416.525 -0.039 50 20 HBGD CC(C)(C)OC(=O)NCC(=O)NCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 766319762 DIUBYUCKKCFQNW-ZDUSSCGKSA-N 408.411 -0.385 50 20 HBGD COCCO[C@@H]1C[C@H](CO)CN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1 773958130 CCFMVKQFVRQFGS-XJKSGUPXSA-N 410.427 -0.298 50 20 HBGD CCOC(=O)c1cc(F)cc(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 778559642 BIVPAFQFJUTVJM-LLVKDONJSA-N 423.444 -0.318 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 784390714 BIKPKQCNPQNMLN-KGLIPLIRSA-N 404.423 -0.402 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H]2CCCS(=O)(=O)C2)c1 816810733 YEEQHSJOIWGXDT-GFCCVEGCSA-N 403.482 -0.477 50 20 HBGD CCNC(=O)CN1CCN(CC(=O)NNC(=O)c2ccc(OC)c(OC)c2)CC1 913053402 NWHFHICXTJHGLM-UHFFFAOYSA-N 407.471 -0.782 50 20 HBGD COc1ccccc1CC(=O)NNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 919822257 JHBKJIBSHBNGLZ-KGLIPLIRSA-N 409.464 -0.579 50 20 HBGD Cn1nc(C(=O)NNC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c2ccccc2c1=O 933535185 WXVNOELIUCKCTA-GREKMHCPSA-N 421.413 -0.498 50 20 HBGD COCc1ccc(OC)c(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 1325850794 XPBKAGRYMYFPMZ-LLVKDONJSA-N 407.470 -0.479 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)C1 1781105151 BACBYEIRXXJSRK-MDZRGWNJSA-N 416.950 -0.294 50 20 HBGD C[C@H](Br)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)N1CCOCC1)CCO2 1783533843 KRFJORLBWUZUNM-DUVNUKRYSA-N 420.304 -0.750 50 20 HBGD Cc1nccn1[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783937716 NLKOVFSFJIVNOF-QRWLVFNGSA-N 420.514 -0.045 50 20 HBGD C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1)n1cncn1 1783938344 WWYNZSLFYFOBAR-RDTXWAMCSA-N 407.475 -0.958 50 20 HBGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)N1CCN(C)CC1 1789794807 CZKAKVFKTXDYGS-XAJHFOFHSA-N 416.950 -0.798 50 20 HBGD O=C1NC(=O)[C@H](CC(=O)N2CC[C@H](CNC(=O)[C@H](O)CCl)[C@H]2c2cccnc2)N1 1803135428 CLVQTRKCUFQKPK-QVHKTLOISA-N 423.857 -0.715 50 20 HBGD C[C@H](O)C(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810304353 CWKWATLLPPYAGX-QEORTHHSSA-N 412.450 -0.220 50 20 HBGD Cn1cc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cn1 1830723252 MQRRAMSJTWGJCW-MAUKXSAKSA-N 414.890 -0.591 50 20 HBGD CC1CCN(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)CC1 1831098773 PIRKKXYSFLCQAG-LPHOPBHVSA-N 417.934 -0.226 50 20 HBGD O=C(/C=C/C1CC1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835934055 LMJOKIKAEHEBBW-BXKJMJEDSA-N 414.267 -0.597 50 20 HBGD Cn1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)n1 1839197674 FCYVWQRXBZULGW-QMTHXVAHSA-N 420.239 -0.424 50 20 HBGD CC(=O)NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839203054 YDVLCJQYVOYKDT-ZFWWWQNUSA-N 424.267 -0.341 50 20 HBGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(N)=O)CCO2)C1 1840921621 IXVFELJFTQOGHO-ABAIWWIYSA-N 421.292 -0.715 50 20 HBGD O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)NNC(=O)C(=O)NC1CC1 726618984 INEPXHUWTZHFFT-UHFFFAOYSA-N 408.358 -0.590 50 20 HBGD Cc1ccc(NCC(=O)NNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c(C)c1 728205464 JYWIDBBYBQETKR-HUUCEWRRSA-N 422.507 -0.102 50 20 HBGD Cc1nc(C)c(CC(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c(O)n1 728327072 JCKNBNKJLFEVHS-HNNXBMFYSA-N 416.390 -0.128 50 20 HBGD C[C@H]1[C@@H](C)N(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)CCS1(=O)=O 736371128 SEJTVPJRYQHIOO-MNOVXSKESA-N 417.513 -0.159 50 20 HBGD NC(=O)[C@H]1CCCN(CCCNC(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])C1 745830697 PHQHACJJQGCVJS-ZDUSSCGKSA-N 422.442 -0.109 50 20 HBGD O=C(NNS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)N1CCOCC1 745834415 RHWPABBJGBZCIC-UHFFFAOYSA-N 404.470 -0.638 50 20 HBGD C[C@H](CS(C)(=O)=O)C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 746883844 XEMTWDKTRHOMHA-CYBMUJFWSA-N 418.541 -0.254 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc(Cl)cc2F)n(C)c1=O 747329531 JBLNLYXQODFAKF-UHFFFAOYSA-N 408.777 -0.313 50 20 HBGD NC(=O)c1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)co1 759379590 MSVYHDYMSJYFGM-UHFFFAOYSA-N 422.419 -0.526 50 20 HBGD COc1ccccc1-c1cc(C(=O)NNC(=O)C2CCN(S(N)(=O)=O)CC2)n[nH]1 763150808 CGIBPJBRZNVRDZ-UHFFFAOYSA-N 422.467 -0.238 50 20 HBGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccc(CCN2CCOCC2)cc1 764431429 CTEOFJGOYFSLOC-MRXNPFEDSA-N 406.439 -0.937 50 20 HBGD Cc1cc(C(=O)NNC(=O)Cn2cnc3c(c(Br)nn3C)c2=O)n[nH]1 765586331 CDUFVRIUTRAEPS-UHFFFAOYSA-N 409.204 -0.615 50 20 HBGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)CCNS(C)(=O)=O)CC2)cc1 766648773 LAPPIDMTULYGJP-UHFFFAOYSA-N 411.528 -0.801 50 20 HBGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)c1ccc(S(N)(=O)=O)cn1 769836492 FAWCSTYXRHWXRE-UHFFFAOYSA-N 406.420 -0.416 50 20 HBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 772186763 QBVZJUJEJRMGMH-SKDRFNHKSA-N 421.859 -0.532 50 20 HBGD CN(C[C@H]1CCCN(CC(=O)NNC(=O)c2ccc(C#N)cc2)C1)S(C)(=O)=O 796125204 HNEJLUJQGDZWMT-OAHLLOKOSA-N 407.496 -0.077 50 20 HBGD Cn1cc(C(=O)NNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c2ccccc21 914830661 NPAVEFFADGCGPU-STQMWFEESA-N 418.475 -0.025 50 20 HBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)N1CCOCC1)C2)[C@@H](F)Cl 1778031291 UQBYVCFENSVWMQ-LNCBFAARSA-N 407.870 -0.315 50 20 HBGD CC[C@@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN(CCO)CCO)C1 1781838993 SHVAQNRWRCIGJO-GPMSIDNRSA-N 419.950 -0.196 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCSCC3)C[C@@H]21)[C@H](O)CCl 1784084443 RKIADUGSACFKLL-XQLPTFJDSA-N 405.948 -0.385 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3C(=O)C=CC3=O)C[C@@H]21)[C@@H](F)Cl 1787443397 IHYVTWGVIICULO-CENBSLRLSA-N 401.822 -0.184 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(F)nc1)C2)c1ccc(B(O)O)cc1 1795734740 XXVORDNUVJPLMI-JLVBRIDZSA-N 413.214 -0.583 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)nc2cccnn12)[C@H](O)CCl 1799187941 LUAJEAQWWKMWDM-GFQSEFKGSA-N 405.842 -0.059 50 20 HBGD CC(C)(C)OC(=O)N[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Cl)C2 1799681069 MYIYONWRZIVCIJ-TUTUZKQUSA-N 409.842 -0.047 50 20 HBGD CN(C)CC(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1806454747 LIQUUSIIJAAQCV-PXNSSMCTSA-N 410.283 -0.357 50 20 HBGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1nc[nH]n1 1807866089 JFBVFRHARUZYJM-DOTOQJQBSA-N 420.238 -0.487 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)COCCO)[C@H]1c1cccnc1 1808627331 DMSIOKIMAXBLTB-OXQOHEQNSA-N 421.498 -0.531 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@H]1C1CC1)CCO2 1830505646 LKWJIDTYJPPTEJ-LZJOCLMNSA-N 422.526 -0.138 50 20 HBGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCOC3=O)CCO2)C1 1831020556 WWMJTEFJMLVAGB-GUYCJALGSA-N 403.863 -0.088 50 20 HBGD CNC(=O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199721 ZXFYRVYNBHPROD-JSGCOSHPSA-N 410.240 -0.731 50 20 HBGD Cc1nccn1CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839711626 AUTFPSQDYDFRHD-YOEHRIQHSA-N 400.863 -0.752 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@]3(C)CCCN3)C2)C1 1840153923 FSWZXQSWZMMWGA-QGTPRVQTSA-N 403.907 -0.161 50 20 HBGD C[C@@](O)(C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2)C(F)(F)F 1841801351 POAJOTBEQGCBFT-OAHLLOKOSA-N 400.162 -0.503 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2csc(N)n2)C1 1842964389 FEIRLOMWZPJCQK-UHFFFAOYSA-N 401.452 -0.145 50 20 HBGD NC(=O)c1ccccc1C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1845400497 ORRBCJFSIMMIQS-UHFFFAOYSA-N 407.235 -0.404 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2ccc(C(N)=O)cc2)C1 1846772584 LJSSGKBEIWEJRJ-UHFFFAOYSA-N 401.467 -0.025 50 20 HBGD CCC1(CC)NC(=O)N(CC(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)C1=O 734240524 SHECQQYLIAHLMO-UHFFFAOYSA-N 414.463 -0.048 50 20 HBGD COCCOC[C@H](C)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 745864533 RVTXRQQXHJJXNU-LBPRGKRZSA-N 402.473 -0.068 50 20 HBGD Cn1nc(Br)c2c(=O)n(CC(=O)NNC(=O)Cc3ccncc3)cnc21 747325973 CUUUNJOHSYIUNW-UHFFFAOYSA-N 420.227 -0.322 50 20 HBGD CS(=O)(=O)N1CCC(CNC(=O)NNC(=O)COc2ccccc2C#N)CC1 749017592 PFIYRYUAPBURGL-UHFFFAOYSA-N 409.468 -0.061 50 20 HBGD CC(C)COc1ccccc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 764230663 IXPDJLCPXSXJTD-NSHDSACASA-N 400.457 -0.255 50 20 HBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 764302359 CKCRSAGTAACZLP-GFCCVEGCSA-N 412.468 -0.161 50 20 HBGD CC(C)[C@H](C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1)N1CCCS1(=O)=O 772629337 FMOCMKNYVGDJBN-CQSZACIVSA-N 407.456 -0.517 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H]2CCc3nnn(C)c3C2)c1 809940041 BSAPAVXBPMPXDW-GFCCVEGCSA-N 406.468 -0.369 50 20 HBGD Cc1c(C(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)nnn1-c1ccn(C)n1 814576804 CGZPFZQRNXCUCK-UHFFFAOYSA-N 408.378 -0.201 50 20 HBGD Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CC[C@H](B(O)O)C3)c(Br)cc21 864230950 HHOFOGPAUZRNHY-QMMMGPOBSA-N 418.078 -0.123 50 20 HBGD O=C(NNS(=O)(=O)c1ccc2c(c1)C(=O)OC2)c1ccc(-n2cnnn2)cc1 917727500 IIACEOLWXNDRNF-UHFFFAOYSA-N 400.376 -0.044 50 20 HBGD CN1CCN(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)CC1 1778261960 MVFCTWOHZVIVGP-ZBFHGGJFSA-N 421.311 -0.246 50 20 HBGD CC(=O)N1CCN(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](F)Cl)CCO3)CC1 1778355653 PEBVMKCBABZNPE-RDJZCZTQSA-N 404.870 -0.485 50 20 HBGD O=C1Nc2c(cccc2C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)C1=O 1778706822 FELAKIYIKRYSEA-DJJJIMSYSA-N 421.837 -0.135 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]2C1 1786891091 SAJNGQATYYQWSA-VIMZNKNYSA-N 423.341 -0.205 50 20 HBGD CN(C)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788610513 CVFBCTJIWLCDIB-JQFCIGGWSA-N 418.498 -0.770 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCCOC3)C[C@@H]21 1791292320 NSLAFHQKEFEILI-QAETUUGQSA-N 410.515 -0.234 50 20 HBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1C(=O)C=CC1=O 1793620406 WNGSSBBVOQBHGM-IPJQOSJUSA-N 413.858 -0.855 50 20 HBGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCNC1=N 1795582170 ONVPGEAXDZNOBL-GFQSEFKGSA-N 416.320 -0.411 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCOC1)C2 1796446449 XMHYQYGMIOJUIJ-DQRILPGFSA-N 417.466 -0.254 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)c1cnc2c(c1)CCNCC2 1800244197 VIGJFICSTWGMFG-MVJTYMMSSA-N 422.913 -0.427 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1[C@@H]2C=CS[C@@H]12 1800257606 VAMIVIKHGBKNMD-LRVPVCRESA-N 408.524 -0.176 50 20 HBGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1ccco1)C2 1800975924 XXWONYNOAMTLKL-OQMKEHIESA-N 413.858 -0.147 50 20 HBGD O=C(CN1C(=O)CNC1=O)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1 1804087560 HCSNIYQPINJNRK-HEHGZKQESA-N 423.857 -0.761 50 20 HBGD O=C(N[C@H]1CCc2nc(NC(=O)[C@@H]3C=CCN3)sc2C1)c1cccc(B(O)O)c1 1817000018 QPAPYZLTUCGWHJ-ZFWWWQNUSA-N 412.280 -0.423 50 20 HBGD O=C(O)C#CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817475935 VWZLQUGHWNVFFS-HNNXBMFYSA-N 410.195 -0.517 50 20 HBGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]n3)C2)C1 1834822268 FDINDKGYYSELCZ-AWEZNQCLSA-N 402.249 -0.340 50 20 HBGD O=C(c1ccc2nn[nH]c2c1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012136 HWFJWEGINLGEMD-UHFFFAOYSA-N 405.223 -0.232 50 20 HBGD C[C@@H](C(=O)NNC(=O)CNC(=O)c1cccs1)N1C(=O)NC2(CCCC2)C1=O 726508000 FPDIQQUUCNVAPO-JTQLQIEISA-N 407.452 -0.122 50 20 HBGD Cc1ccc(C(=O)N2CCC[C@H](C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)C2)cc1 729275109 LDUQRGMKFFNOFR-HIFRSBDPSA-N 410.496 -0.068 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc3c(c2)C(=O)NC3=O)c1 729283038 LRPAKEXHDLEYKB-UHFFFAOYSA-N 416.415 -0.105 50 20 HBGD CCCS(=O)(=O)Nc1ccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1 756570206 BOXMWZVHLPQRJJ-JTQLQIEISA-N 421.501 -0.071 50 20 HBGD O=C(CO)NNC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 764421697 QOQMPMVCDXMQGJ-UHFFFAOYSA-N 418.859 -0.407 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc(=O)c3ccccc3o2)n(C)c1=O 766645714 VNQMKADUTUKVPB-UHFFFAOYSA-N 424.373 -0.999 50 20 HBGD CCN1CCN(c2cccc(NC(=O)C(=O)NN[C@]3(C)CCS(=O)(=O)C3)c2)CC1 783427402 SLTQBGPUMBVTPO-LJQANCHMSA-N 423.539 -0.035 50 20 HBGD Cc1cnn(C)c1S(=O)(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 795281120 PONQZVYMWHTOQW-UHFFFAOYSA-N 401.470 -0.398 50 20 HBGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)nn1C1CCCCC1 810386803 SDFZWTJXVRYKQJ-LLVKDONJSA-N 414.488 -0.280 50 20 HBGD CCCCCn1nc(C(=O)NNC(=O)[C@@H]2CC(=O)NC(=O)N2)c2ccccc2c1=O 816828729 NGXGFONUTLWJRA-ZDUSSCGKSA-N 414.422 -0.054 50 20 HBGD O=C(COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)NNC(=O)c1ccccc1 821693451 XCXVFJVCKQAWSB-UHFFFAOYSA-N 416.415 -0.271 50 20 HBGD O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NNC(=O)c1nnc(O)c2ccccc12 934900404 BEYYHTKVLYSJSU-FCIDVOKBSA-N 407.386 -0.097 50 20 HBGD NS(=O)(=O)c1ccc(CNC(=S)NNC(=O)CCN2CCOCC2)cc1 1251489223 NTCUQKZTTQBACP-UHFFFAOYSA-N 401.514 -0.948 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)CN3CCN(C)CC3)C2)C1 1778264337 VAQBLEQNECCZLA-YOEHRIQHSA-N 417.348 -0.153 50 20 HBGD COC[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1784609707 BMPUVTKWFPGTLQ-IKICRFKJSA-N 404.272 -0.758 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccnn3)[C@H]2C1 1788857046 VFVZYXJBLRFJND-DZKIICNBSA-N 404.471 -0.557 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)[C@H](O)CCl 1792974846 DLGUVFYZMVFJNW-BZNPZCIMSA-N 420.743 -0.469 50 20 HBGD C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795733017 XULBRFSRWIYHID-XEMDLRDOSA-N 416.283 -0.448 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1cnc[nH]1)C2)c1ccc(B(O)O)cc1 1795736798 KRKQCNYTYLTLIV-RKLKBWSTSA-N 410.239 -0.994 50 20 HBGD O=C(CS(=O)(=O)N1CCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Cl)C2 1796437317 MPDGOPBULJTSHW-XCCSTKFXSA-N 411.883 -0.464 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)CCC(N)=O)C2 1799274634 BNKQNRDWXRVFKV-NWPKGIRNSA-N 409.314 -0.595 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCC2(CCCN(C(=O)[C@@H](O)CCl)C2)CC1 1805518204 CNFRMIVKRMKHHG-INIZCTEOSA-N 408.691 -0.189 50 20 HBGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(N)=O)C2)C1 1830545804 NCLUPCZWWUTAIB-IAQYHMDHSA-N 421.292 -0.858 50 20 HBGD O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837559767 GYMQTRXEGLUNAQ-IEWOBPEOSA-N 413.858 -0.245 50 20 HBGD Cc1nc2ccccn2c1C(=O)NNC(=O)[C@H](C)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 746102566 IKSVRPHIVOGHDQ-PGKPSXLWSA-N 411.418 -0.045 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CCn1c(=O)oc2cc(Cl)ccc21 758050288 ALJYMORVQDJIPB-QMMMGPOBSA-N 404.832 -0.277 50 20 HBGD COc1ncc(NC(=O)C(=O)NNC(=O)COc2cc(C)cc(C)c2)cc1C(N)=O 763646691 ICPBBEUQUANFAJ-UHFFFAOYSA-N 415.406 -0.029 50 20 HBGD CCc1c(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cnn1CC(C)C 764234573 YMJPPZJYXFDAOA-SNVBAGLBSA-N 402.477 -0.875 50 20 HBGD C[C@@H](OCc1ccccc1)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765728864 TVNWNMMEHQGFCC-GFCCVEGCSA-N 414.422 -0.814 50 20 HBGD CCOc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c2ncccc12 768238839 GBZCANRZXCUTBK-SNVBAGLBSA-N 423.451 -0.343 50 20 HBGD CSCCNC(=S)NNC(=O)CCC(=O)N1CCN(c2ncccn2)CC1 770245862 IFZPVTUKGNOHNQ-UHFFFAOYSA-N 411.557 -0.236 50 20 HBGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)NCC1CN(S(C)(=O)=O)C1 777737407 CVJYWHCGAUUVGW-UHFFFAOYSA-N 407.493 -0.487 50 20 HBGD CN(NC(=O)CC[C@@H]1NC(=O)NC1=O)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 783705294 VVYYZBOZZQUMKR-NSHDSACASA-N 412.447 -0.390 50 20 HBGD COC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)cc1 784003335 UINFNCGDZKQEQA-UHFFFAOYSA-N 418.362 -0.653 50 20 HBGD COC(CNS(=O)(=O)CBr)CNS(=O)(=O)CBr 784348218 IEMYCGLZNPMVNS-UHFFFAOYSA-N 418.129 -0.455 50 20 HBGD O=C(CNC(=O)c1cccnc1)NNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 784793972 SFQLPABWOFRFOL-CVEARBPZSA-N 415.450 -0.600 50 20 HBGD CN(C)N(C(=O)CNC(=O)c1c[nH]c2ccccc2c1=O)[C@H]1CCS(=O)(=O)C1 792850636 PGJCFSMFHBMUFZ-LBPRGKRZSA-N 406.464 -0.250 50 20 HBGD C[C@H]1C[C@H](N2CCOCC2)CN1C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 804869087 SXNITVHGUMJHIS-BBRMVZONSA-N 400.443 -0.188 50 20 HBGD CC(C)C(=O)NNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 1317716250 AAGWMDLSAKWUQE-ZDUSSCGKSA-N 405.498 -0.428 50 20 HBGD CS(=O)(=O)c1ccc(OCCC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 1318059280 ROCGYYVUOSGWRW-LLVKDONJSA-N 404.466 -0.559 50 20 HBGD CC(C)=NO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1781400489 QQWDOWNTKLVLGC-HNAYVOBHSA-N 411.503 -0.010 50 20 HBGD CN1N=C(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)CCC1=O 1784085056 BTVKUMNDUHMYMJ-VTPLQMEGSA-N 400.863 -0.826 50 20 HBGD Cc1nc[nH]c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1787646466 BAWRFTWXZCKRBH-XIRDDKMYSA-N 412.255 -0.695 50 20 HBGD Cc1n[nH]cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1789317326 WFKXJZJEQUACOH-BPUTZDHNSA-N 406.487 -0.316 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCCN3C)C[C@@H]21 1791287957 HXHIKZIULAHKIB-XSLAGTTESA-N 423.558 -0.177 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COC(=O)C(F)(F)F)C2)[C@@H](O)CCl 1792981513 LTAZSCAZJDDTMU-DKIAZLNASA-N 402.753 -0.719 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cscn1)C2)c1ccc(B(O)O)cc1 1795734818 ULHUPFWXFPNQMK-ZSBFGKGUSA-N 415.280 -0.731 50 20 HBGD C[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)N1C[C@H]2C[C@H]2C1 1796188815 RZXFDNBWMLINPK-PHSKQRLGSA-N 411.311 -0.042 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)c1ccc2c(c1)CNC2=O 1797547846 IIBJIJFYHKJYSM-XRGAULLZSA-N 407.854 -0.267 50 20 HBGD CC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc(C)c(O)nc1=O)C2 1799271489 QRSYBYPLKVPRHE-QVHKTLOISA-N 412.874 -0.136 50 20 HBGD CC(=O)NCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1 1821947333 JWPZJFBJVTYJPX-AWEZNQCLSA-N 407.475 -0.089 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825674747 OGZKVKANDCDMAM-SNVBAGLBSA-N 407.452 -0.484 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831224017 AGUMSIWRZKFTAI-FQEVSTJZSA-N 406.483 -0.771 50 20 HBGD O=C(C[C@@H]1NC(=O)NC1=O)NC1CCN(C2CCN(C(=O)[C@H](F)Cl)CC2)CC1 1833761239 PXCRESYTLHPZMP-JSGCOSHPSA-N 417.869 -0.310 50 20 HBGD Cn1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cccc1=O 1833869595 OWESHSKUYUKAHB-KDOFPFPSSA-N 413.858 -0.945 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCO2 1839078457 UCNUDHCUXATVAI-RLFYNMQTSA-N 415.563 -0.983 50 20 HBGD Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c[nH]1 1840184597 WOFRPHNDRUMOFN-FQEVSTJZSA-N 421.498 -0.234 50 20 HBGD Cc1nnc(CC(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)s1 1843062130 BTFAINVNBILTEC-UHFFFAOYSA-N 415.479 -0.095 50 20 HBGD Cn1cccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cnccc2C(=O)NN)c1=O 1847915238 BLAKMFPHKPHKDW-HOTGVXAUSA-N 410.434 -0.487 50 20 HBGD COc1cc(C(=O)NNC(=O)[C@H]2CCCN2C(=O)CNC(C)=O)cc(OC)c1OC 728455446 QFAXETGZPVGJHH-CYBMUJFWSA-N 422.438 -0.400 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 729276911 OEERQKKHPYPNBC-UWVGGRQHSA-N 402.860 -0.222 50 20 HBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 732082814 NNQPLFOGWCYJQN-YNEHKIRRSA-N 411.484 -0.411 50 20 HBGD CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1 740903741 UDVCFXADKFBSKT-JSGCOSHPSA-N 407.456 -0.038 50 20 HBGD COc1cccc(C[C@H](C(=O)NNC(=O)C(=O)N2CCCC2)n2nnnc2C)c1 748239628 JQFDUHYWPBNQHC-OAHLLOKOSA-N 401.427 -0.456 50 20 HBGD CC[C@H](NC(=O)NNC(=O)COc1ccccc1[N+](=O)[O-])C(=O)N1CCOCC1 753056465 HBOLZRLTPMYLAF-LBPRGKRZSA-N 409.399 -0.059 50 20 HBGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1ccc(CN2C(=O)CNC2=O)cc1 763820742 QFLFXKGSDHXMCH-UHFFFAOYSA-N 410.390 -0.676 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCc2cnccn2)cc1 775453870 GBNBJUJXAUIKOP-UHFFFAOYSA-N 406.468 -0.021 50 20 HBGD COC[C@]1(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)CCN(C(=O)OC(C)(C)C)C1 809972166 DMYRHRTWXOXUAU-PXAZEXFGSA-N 419.500 -0.158 50 20 HBGD Cn1nc(SCC(=O)NN=Cc2ccc(OCCC(=O)O)cc2)c(=O)n(C)c1=O 915958383 BCODVDSPLOCFIR-UHFFFAOYSA-N 421.435 -0.425 50 20 HBGD Cc1occc1C(=O)NCC(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 917316213 VTPHSZILAPDCIL-HNNXBMFYSA-N 417.374 -0.152 50 20 HBGD CN1CC(=O)N(CCCC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)C1=O 921235838 KJHMZVUMWPUEDJ-UHFFFAOYSA-N 400.395 -0.631 50 20 HBGD O=C(NNC(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1)N[C@@H]1CCS(=O)(=O)C1 1318701353 JAZHORHROONCIB-ZIAGYGMSSA-N 409.468 -0.549 50 20 HBGD CNS(=O)(=O)N1CCC(C(=O)NNC(=O)c2cncn2-c2ccccc2)CC1 1322037040 JWVLYMYJJFGQSA-UHFFFAOYSA-N 406.468 -0.191 50 20 HBGD COc1cc(C(=O)N2CC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)nn1C 1780438933 YJJYOPKQSURWBZ-IBGZPJMESA-N 422.486 -0.755 50 20 HBGD CC[C@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1781047563 CMCLHVXXNYUZFA-WFGGJUAMSA-N 404.305 -0.287 50 20 HBGD COC(OC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782210126 GLTPXVFNBYCGNX-AUUYWEPGSA-N 414.503 -0.508 50 20 HBGD C[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCOCC3)CCO2)C1 1783533460 WOKOLSWIRGQYIT-CZUORRHYSA-N 404.305 -0.068 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCCS3(=O)=O)[C@H]2C1 1790748725 AHXRFFOPSMDTAH-YTFOTSKYSA-N 422.931 -0.203 50 20 HBGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CNC(=O)C1)C2 1792872038 JYPJVTLBXDMMGC-MPLKPFFPSA-N 402.289 -0.257 50 20 HBGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CNC(=O)O1)C2 1800640255 NPWXQUCQZGFUJO-OSUNSFLBSA-N 404.261 -0.142 50 20 HBGD COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)cn1 1801010540 FFWXLQRHONHVSF-CCWDJLKJSA-N 419.482 -0.334 50 20 HBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CNC(N)=O)CC2 1826092007 ILQANHBBJMSRGF-VIFPVBQESA-N 411.488 -0.904 50 20 HBGD COc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cn1 1830725105 DRGCLTNKIMKDSE-RDTXWAMCSA-N 413.858 -0.240 50 20 HBGD O=C1CCCCN1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830737687 HZCZZPWHLOZWEL-RDTXWAMCSA-N 417.890 -0.945 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc[n+]([O-])c3)CCO2)C1 1833279286 SGTCDJNNFGFELA-CRAIPNDOSA-N 413.858 -0.356 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccon1)CCO2 1834489978 XNVDGLRAWWLJBY-SFHVURJKSA-N 409.443 -0.882 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)C1CCC1)CCO2 1834633315 NGKBUFKGGLQKLK-HXUWFJFHSA-N 402.256 -0.764 50 20 HBGD CC(C)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1835482591 CPRKPWWKSRTWDC-LJQANCHMSA-N 423.445 -0.497 50 20 HBGD O=C(NC1CCN(C2CCN(C(=O)[C@@H](F)Cl)CC2)CC1)[C@@H](O)N1CCOCC1 1835764090 LHTVPYWXZJGJQR-CRAIPNDOSA-N 420.913 -0.257 50 20 HBGD CO/C=C(\C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1837267340 KMVOOAMWJCVZTK-LSSBLYJVSA-N 412.487 -0.634 50 20 HBGD CCNC(=S)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1839654330 LKPUFMHKIOJFAV-DOMZBBRYSA-N 410.899 -0.539 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn(C)n3)C2)C1 1840151183 XEKKITSCEWVABM-SUMWQHHRSA-N 400.863 -0.256 50 20 HBGD COC(=O)CSCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCC(=O)NN(C)C 1847819472 HVXURPXYTSXTPA-STQMWFEESA-N 400.501 -0.533 50 20 HBGD COCCn1nc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)ccc1=O 21967679 AHTURZCAXGAKBG-UHFFFAOYSA-N 408.440 -0.742 50 20 HBGD Cc1ccc(-c2nnc(S)n2CC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1 729275978 UMCRWNPOKQXPDC-SNVBAGLBSA-N 412.497 -0.373 50 20 HBGD NC(=O)CS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1 742471414 CPWWEFXZPFTFIW-UHFFFAOYSA-N 405.388 -0.251 50 20 HBGD C[C@]1(C2CC2)NC(=O)N(CC(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)C1=O 743831272 UPZURRCEKFHLGC-QGZVFWFLSA-N 423.451 -0.037 50 20 HBGD O=C(CN1CSCC1=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 744620776 NJNSLOSXSUTVQW-UHFFFAOYSA-N 400.482 -0.317 50 20 HBGD Cc1cccc(C(=O)NNC(=O)COC(=O)CNS(=O)(=O)c2cn(C)c(C)n2)c1 744914106 IPKDWOPGPPUZDW-UHFFFAOYSA-N 423.451 -0.680 50 20 HBGD Cc1c(Cl)cc(C(=O)O)cc1S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 747613563 PSTNWGDNGFRBHK-SSDOTTSWSA-N 413.861 -0.406 50 20 HBGD CS(=O)(=O)N1CCN(CCNC(=O)NNC(=O)c2ccc3ccccc3n2)CC1 749353566 OPXGYPQCGGEHQU-UHFFFAOYSA-N 420.495 -0.244 50 20 HBGD CN(C)C(=O)Cn1cnc(NC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)n1 756771354 WDZKJXCRSDHILM-UHFFFAOYSA-N 413.398 -0.276 50 20 HBGD CNS(=O)(=O)c1cccc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1C 757722217 VKBDOOFGEDYDSM-JTQLQIEISA-N 404.470 -0.509 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(-c2nccs2)cc1 764226946 LHKGFVAKLPIIQB-VIFPVBQESA-N 411.465 -0.166 50 20 HBGD O=C(CCNC(=O)c1n[nH]c2ccccc12)NNC(=O)CNC(=O)c1cccnc1 764344314 ALABOCTZLMMLGV-UHFFFAOYSA-N 409.406 -0.345 50 20 HBGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)nc1 764400302 PBSAPQXOCIBASU-MJBXVCDLSA-N 423.470 -0.167 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CSc2ccc(O)cc2)n(C)c1=O 766635446 CQNGHVORNYMXNZ-UHFFFAOYSA-N 418.435 -0.921 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CCn2ccc3ccccc32)n(C)c1=O 766646188 XJALKFYYALJTGQ-UHFFFAOYSA-N 423.433 -0.374 50 20 HBGD CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)NNC(=O)CNC(=O)c1ccco1 799912258 UHMZBBNPYBVZAG-GHMZBOCLSA-N 401.445 -0.942 50 20 HBGD Cc1ccc(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1C(=O)OC(C)C 808088939 LYXQQKONFXYNDB-LLVKDONJSA-N 421.497 -0.193 50 20 HBGD O=C(CNC(=O)c1c[nH]c2ccccc2c1=O)NNC(=O)[C@H]1CCc2nncn2C1 816871295 FQXJOQKTMFVPFN-NSHDSACASA-N 409.406 -0.741 50 20 HBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1cnn2ccncc12 1116868268 ZCQDDNCKENZSPX-UHFFFAOYSA-N 407.434 -0.052 50 20 HBGD CC(C)O[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1779168323 YHMGBOPSQMJDKX-YWZLYKJASA-N 404.272 -0.377 50 20 HBGD CN1CCCC[C@H]1C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1781027255 HEQCIVNGJYKWFI-GHTZIAJQSA-N 415.299 -0.706 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)nc(O)n3)CCO2)C1 1783875324 LUBOGPDFYZGSID-MGPLVRAMSA-N 400.819 -0.415 50 20 HBGD Cc1cccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)n1 1793117052 FZWXNYPTSAIXLI-VPTLXERWSA-N 417.510 -0.105 50 20 HBGD C[Si](C)(C)OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H]1NC(=O)NC1=O 1793943716 ZXWBDDZELOCTTJ-NWJSVONSSA-N 412.519 -0.974 50 20 HBGD C[Si](C)(C)OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)n1)C2 1797955871 LVOWVNLCECGAFZ-QHBPRCKVSA-N 410.503 -0.058 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)C(Cl)Cl 1801016291 WELVRYUDLGXJQR-PTEHBNRSSA-N 401.055 -0.627 50 20 HBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)Cn2nccn2)[nH]n1)c1ccc(B(O)O)cc1 1817472301 DTJJPOGGZLQZCG-MRXNPFEDSA-N 423.242 -0.313 50 20 HBGD CNc1nsnc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830720380 YNSCFOJZAYOJIW-BONVTDFDSA-N 419.891 -0.751 50 20 HBGD Cc1[nH]nc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1F 1833667338 PCWVKXNGXPQIOI-ZBEGNZNMSA-N 404.826 -0.473 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccn(C)c1)CCO2 1833858401 FYCJNFHWROVOHT-FQEVSTJZSA-N 421.498 -0.532 50 20 HBGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3nccn3)C2)C1 1840034699 USUZKFCBLUESHU-DOMZBBRYSA-N 416.276 -0.482 50 20 HBGD COc1ccc(C(=O)NNC(=O)NCCS(=O)(=O)N2CCOCC2)cc1OC 52141569 LMSNYGKYHIJLEC-UHFFFAOYSA-N 416.456 -0.690 50 20 HBGD Cn1c(=O)ccn(CC(=O)NNc2ccccc2S(=O)(=O)NC(C)(C)C)c1=O 734252136 DVHNAEPOJYWUCK-UHFFFAOYSA-N 409.468 -0.233 50 20 HBGD CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)NNC(=O)COc2ccccc2C#N)C1=O 753020238 HHTLMUYIGYLBBP-BFUOFWGJSA-N 414.422 -0.012 50 20 HBGD Cc1cc(O)cc(=O)n1CC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 753081639 IBUNYGXCPYGJQY-UHFFFAOYSA-N 408.436 -0.426 50 20 HBGD Cc1cc(C(=O)O)c(F)c(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 753774795 NUCLSHNRCYTFJL-MRVPVSSYSA-N 409.417 -0.488 50 20 HBGD COC(=O)c1cc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c(OC)c(OC)c1 756741097 CABFMOSVRLSTGE-MRVPVSSYSA-N 418.428 -0.419 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 756794978 LQHCTDBTZOZHRL-SNVBAGLBSA-N 415.476 -0.968 50 20 HBGD Cc1ccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)n1 757658540 RSCOKMJAMPJOGZ-UHFFFAOYSA-N 400.399 -0.702 50 20 HBGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)cc1 763661253 LUIZYJAJACFJHC-UHFFFAOYSA-N 422.419 -0.341 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc3cccc(F)c3o2)n(C)c1=O 765726200 ZUASPYDTJVIVMK-UHFFFAOYSA-N 414.353 -0.220 50 20 HBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O 772160523 QNCNAUPAZLWKOS-MFKMUULPSA-N 418.406 -0.594 50 20 HBGD C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)N1CCN(C)CC1 773674109 SNGNHFGTZZSDAB-NSHDSACASA-N 403.892 -0.005 50 20 HBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)NCC1CCN(S(C)(=O)=O)CC1 778641665 HOSZNBXLLDGNTD-UHFFFAOYSA-N 407.493 -0.487 50 20 HBGD COC(=O)CNC(=O)NNS(=O)(=O)c1ccc(Br)c(C(=O)OC)c1 779845878 UHQJLFUCEBCQMW-UHFFFAOYSA-N 424.229 -0.099 50 20 HBGD N#Cc1cccc(S(=O)(=O)NCC(=O)NNC(=O)CNC(=O)c2cccs2)c1 810308078 BICHTNHBKFEQME-UHFFFAOYSA-N 421.460 -0.525 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCCCCS(N)(=O)=O)c1 816810399 KVDBAUVWCKXBLD-UHFFFAOYSA-N 420.513 -0.453 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCCC(=O)NC2CC2)c1 916577577 NNRRYHOXUCXMLG-UHFFFAOYSA-N 411.484 -0.060 50 20 HBGD Cc1c(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cn2[nH]cnc(=O)c12 1780015848 DWGOYUDUVMOQFD-FZKQIMNGSA-N 423.857 -0.626 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1cc[nH]n1)C2 1782213239 GVKCDGLXIZPILP-OXQOHEQNSA-N 420.514 -0.161 50 20 HBGD Cc1cnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)cn1 1785990811 DONVIQYYMOZFOQ-ZOBUZTSGSA-N 418.498 -0.249 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCCCN1C 1793008097 WYAAQVOWPUFJHA-RCJHGTSTSA-N 409.531 -0.567 50 20 HBGD CCC(=O)N[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1793452866 USXWAORQXGPDBH-VDNDLQMASA-N 401.272 -0.467 50 20 HBGD C[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2)N1C[C@H]2C[C@H]2C1 1798317867 JNWXWRKBMXINBH-WVGHKPTNSA-N 411.311 -0.042 50 20 HBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)CNC(C)=O)C2 1800970370 CRTWOLYSEONFHF-XGUBFFRZSA-N 403.907 -0.008 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCCN1C)C2 1801009107 QBEXJYDEGHZDQQ-RCJHGTSTSA-N 409.531 -0.567 50 20 HBGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)n1cccc1 1801254764 ONALTQBNAJUUQZ-VYCZESIESA-N 411.267 -0.368 50 20 HBGD C[C@H](NC=O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1 1822415713 RIMKNSNULHYWKV-JSGCOSHPSA-N 407.475 -0.091 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC(=O)NC1)CCO2 1829959861 JXIJZENKYCUOCR-SUNYJGFJSA-N 417.890 -0.777 50 20 HBGD Cn1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cn1 1830737737 IRRRGKNBOOPVKY-RHSMWYFYSA-N 400.863 -0.981 50 20 HBGD Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)nn1C 1830945396 JBIPWCUZAASYTQ-YJBOKZPZSA-N 414.890 -0.673 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCOC3=O)CCO2)C1 1831020545 WWMJTEFJMLVAGB-CXAGYDPISA-N 403.863 -0.088 50 20 HBGD COc1ncccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1834125597 VLJMTGGGTQNAOQ-KDOFPFPSSA-N 413.858 -0.240 50 20 HBGD CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)n(C)n1 1838038722 GJZRSJUBGPZUSU-QAPCUYQASA-N 414.890 -0.348 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CC(=O)NC3=O)C2)C1 1839142261 LEBYMTISUXJGJP-YVEFUNNKSA-N 416.862 -0.988 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCC3=O)C2)C1 1840151756 NCDZRMRYFNXYRI-KDOFPFPSSA-N 417.890 -0.681 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2cn3ncccc3n2)C1 1843769677 NQERZUNBSDQWMC-UHFFFAOYSA-N 405.223 -0.460 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 729274800 DHKXLSJHNZCNSE-DZGCQCFKSA-N 410.496 -0.447 50 20 HBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 732082811 NNQPLFOGWCYJQN-FRRDWIJNSA-N 411.484 -0.411 50 20 HBGD Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 735652700 PMLTYHBRTWGGDH-KGLIPLIRSA-N 407.456 -0.717 50 20 HBGD Cc1cc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)nc2c1c(=O)n(C)c(=O)n2C 737465924 DCQHGSYHJDAPIP-UHFFFAOYSA-N 412.362 -0.076 50 20 HBGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 740812441 IWAGXMNAJHKABX-UHFFFAOYSA-N 416.412 -0.020 50 20 HBGD COc1ccc(C(=O)NNC(=O)CNC(=O)c2ccco2)cc1S(=O)(=O)N(C)C 751206371 FYQCTTHNBJGPAO-UHFFFAOYSA-N 424.435 -0.271 50 20 HBGD Cc1nn(C)c2ncc(S(=O)(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)cc12 751263241 IZVPKBOTMZZPGO-UHFFFAOYSA-N 413.423 -0.124 50 20 HBGD O=C(CCn1ccccc1=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766643760 SAMASVMKONJKFV-UHFFFAOYSA-N 411.462 -0.156 50 20 HBGD C#C[C@H](NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)[C@H]1CCCO1 776227721 IZVAHVKCSOHZHG-JKSUJKDBSA-N 422.511 -0.175 50 20 HBGD Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 777921922 AEUXJNPSSIFYGB-MRVPVSSYSA-N 410.405 -0.278 50 20 HBGD Cc1nn(C)c(N2CCN(C(=O)NNC(=O)CNC(=O)c3ccco3)CC2)c1C#N 788101898 QLOVEECRLLQRHA-UHFFFAOYSA-N 414.426 -0.514 50 20 HBGD Cn1ncc2c(=O)n(CC(=O)NNC(=O)CNC(=O)OCc3ccccc3)cnc21 794063093 HVIVNWOPTDUION-UHFFFAOYSA-N 413.394 -0.796 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2cc(S(=O)(=O)N(C)C)cn2C)cc1 801111914 WTNOPUYLQWXNFI-UHFFFAOYSA-N 407.452 -0.016 50 20 HBGD CN1CCN(CC(=O)N2CC[C@@]3(CN(C(=O)CCBr)CCO3)C2)CC1 1778257094 FGOUTCPTIHJXDK-KRWDZBQOSA-N 417.348 -0.151 50 20 HBGD O=C1NCCCn2nc(C(=O)N3CC[C@@]4(C3)CN(C(=O)[C@@H](F)Cl)CCO4)cc21 1778379701 QOUBJAYRHYSLHU-CXAGYDPISA-N 413.837 -0.006 50 20 HBGD C[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CN3C(=O)CNC3=O)CCO2)C1 1783530173 UJOWEMRVPUJQBC-BONVTDFDSA-N 417.260 -0.849 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)CSCC(=O)O)CCO2 1783937911 QIORGJIDRQEBJT-KRWDZBQOSA-N 416.500 -0.993 50 20 HBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C(=O)O)ncn1 1794369558 QVRBFWSCASAOTL-FBKDDSFISA-N 412.830 -0.368 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(O)cn1 1794992037 VAEAYMPAFJPWQM-IVWMJMPLSA-N 405.455 -0.637 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCNC1=N 1795580311 MBAQIMYZEJUUND-DZJQYVJYSA-N 406.314 -0.348 50 20 HBGD COC1(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)CCC1 1801612836 AZJUGVUYCPYWPM-HGKCTWBKSA-N 416.283 -0.471 50 20 HBGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(=O)NC)C2)C1 1839962544 JMNAREWVRZWXCK-WBMJQRKESA-N 420.304 -0.248 50 20 HBGD O=C(c1[nH]nc2ncccc12)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013725 FNQRIBZHQFOUAZ-UHFFFAOYSA-N 405.223 -0.232 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)[C@@H]1CCNC(=O)C1)C2 1843417108 WTHXOBHGKCIESF-JMKVTYIUSA-N 414.466 -0.150 50 20 HBGD C[C@H]1CN(Cc2ccc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc2)C[C@@H](C)O1 729275355 NWPVUNJFGSBLER-MJBXVCDLSA-N 412.512 -0.006 50 20 HBGD COc1cc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)ccc1OCC(N)=O 732260639 XAHYEAWOYOAJQV-BETUJISGSA-N 408.455 -0.180 50 20 HBGD CCn1nc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)ccc1=O 732369928 BGESGRGPYMYJIW-CQSZACIVSA-N 402.363 -0.593 50 20 HBGD O=C(COCc1ccccc1)NNC(=O)N[C@H]1CCN(CCN2CCOCC2)C1 739018911 FRWXKFHDUFBABE-SFHVURJKSA-N 405.499 -0.060 50 20 HBGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1C 741653727 OJJPRVVWERPSGK-SNVBAGLBSA-N 405.454 -0.539 50 20 HBGD Cn1c(CC(=O)NNC(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)nc2ccccc21 753658492 BPIQPXXHCLIOTK-GFCCVEGCSA-N 408.484 -0.272 50 20 HBGD CC(C)NS(=O)(=O)c1ccc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 755517806 QJWALAOFZNEIMH-LLVKDONJSA-N 418.497 -0.039 50 20 HBGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 764135213 CNWCHLARAAXTCG-UHFFFAOYSA-N 424.410 -0.190 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NN=C2C(=O)Nc3ccc(Cl)cc32)n(C)c1=O 764812598 NESLJCUNGBACRM-UHFFFAOYSA-N 415.797 -0.440 50 20 HBGD CC(C)c1ncc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)s1 773070828 SWFVNULBPGVMTL-UHFFFAOYSA-N 405.440 -0.525 50 20 HBGD CCCCn1ncc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1C(C)C 792266865 DQDVYVAYTPNXFL-LLVKDONJSA-N 416.504 -0.170 50 20 HBGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)nn1-c1ccc(F)cc1F 808935248 ODGBCADMPIIPGK-CYBMUJFWSA-N 409.349 -0.040 50 20 HBGD C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NNC(=O)[C@H]1CCc2nncn2C1 816876181 PVYUDFRSRISGJP-YPMHNXCESA-N 417.451 -0.773 50 20 HBGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)N2CCN(C)CC2)[C@H](C)O)cc1 819720728 FRBRLCVZGVYZCD-ZFWWWQNUSA-N 413.500 -0.989 50 20 HBGD O=C(CCCNC(=O)NC1CCCCC1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919889741 SIEDBXTTWHYMLX-CYBMUJFWSA-N 403.505 -0.084 50 20 HBGD CCOC(=O)N[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)Br)C2)C1 1783534619 XEAFAQONYUGAOW-RWSFTLGLSA-N 422.276 -0.336 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)O)C[C@@H]21 1787508477 YNDNPYUWRPRBDC-HXOBDHDDSA-N 405.455 -0.519 50 20 HBGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCS3(=O)=O)C[C@@H]21 1791257376 CCJDALSLCTZCRQ-YTFOTSKYSA-N 422.931 -0.203 50 20 HBGD C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1793357853 DABBABVFFCBGMU-VWPFQQQWSA-N 417.466 -0.521 50 20 HBGD CC(C)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)N1CCOCC1 1797800722 JIYZHNSHGCZKQF-HLPPOEQASA-N 403.907 -0.508 50 20 HBGD COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)nn1C 1798760295 SCLBQJAJOHIYMZ-IVWMJMPLSA-N 422.486 -0.995 50 20 HBGD CN(C)C(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Br 1799342671 JNCOEOBMPGZDDR-RBLKWDMZSA-N 409.256 -0.462 50 20 HBGD O=C(CN1C(=O)CSC1=S)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Cl)C2 1802104671 FKMPBNUXPFSIOX-VVJJBPBLSA-N 409.892 -0.029 50 20 HBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)N(C)C)CCO2)C1 1835436280 SNDIVLXSYLJASF-NHYWBVRUSA-N 406.277 -0.686 50 20 HBGD CCNC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1837383049 TVJXNTKBJZZBQW-BFQNTYOBSA-N 408.858 -0.315 50 20 HBGD CCC(=O)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837920276 VELDAMIJCXUQLJ-UHFFFAOYSA-N 416.283 -0.042 50 20 HBGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)n1cnnn1)CCO2 1840478742 ADJHHKKOAPLNEG-HEHGZKQESA-N 400.867 -0.292 50 20 HBGD CC/C=C(\C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840629792 LEMZNRMJHQLQPU-MYNVMIGVSA-N 416.283 -0.207 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)[C@@H](N)Cc2cccnc2)C1 1843387690 FNJCSWREPUZQPG-INIZCTEOSA-N 402.499 -0.472 50 20 HBGD C[C@H](CBr)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN(C)C(=O)C(=O)O 1847502621 RLMSUCSJUQILDY-VWYCJHECSA-N 404.261 -0.238 50 20 HBGD O=C(CCNS(=O)(=O)c1ccccc1Cl)NNC(=O)C(=O)N1CCCC1 748343582 OKFJRKWWGJHKGV-UHFFFAOYSA-N 402.860 -0.222 50 20 HBGD O=C(Cc1cc[nH]n1)NNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 755286938 QTSNUHBPAMOYNH-AWEZNQCLSA-N 422.423 -0.139 50 20 HBGD O=C(CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNc1nccc(N2CCOCC2)n1 762853053 PRSVIWWYRRGPAQ-BHTHQVBYSA-N 416.438 -0.691 50 20 HBGD CS(=O)(=O)Nc1cc(C(=O)NNC(=O)CNC(=O)c2cccnc2)ccc1F 763815056 QYKCEZXNSMNCLT-UHFFFAOYSA-N 409.399 -0.217 50 20 HBGD COC(=O)CCc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)cc1 784001692 BNJHWVNSTOKYMK-UHFFFAOYSA-N 416.390 -0.099 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 784004211 KTXWQENTJSERTD-CQSZACIVSA-N 416.390 -0.037 50 20 HBGD O=C(NNc1ccc(-n2ccnc2)nn1)[C@H]1CC(=O)N(CCN2CCOCC2)C1 804957419 JYUFZIVYWZVYBJ-AWEZNQCLSA-N 400.443 -0.714 50 20 HBGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 919689509 SPQZNIMSXVSNJH-SNVBAGLBSA-N 417.397 -0.057 50 20 HBGD CN(C)S(=O)(=O)c1cccc(NC(=S)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 1337047361 QOPPJYOMWVTJST-SNVBAGLBSA-N 420.538 -0.311 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1779091823 FWCPMFOBDLONQZ-AEFFLSMTSA-N 415.563 -0.682 50 20 HBGD C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2)n1cnnn1 1782594741 BTXPNOBOKDGCIR-BCUIYNNISA-N 400.867 -0.652 50 20 HBGD COc1nccnc1C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783935634 AXLLBEMNRLLRKN-LJQANCHMSA-N 420.470 -0.698 50 20 HBGD CCC[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 1784622777 ULZFPKHKMLJPMU-XUXIUFHCSA-N 417.890 -0.083 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nccs3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979410 FWFKWTNOEVUFMV-BPUTZDHNSA-N 415.280 -0.270 50 20 HBGD C[C@@](O)(C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)C(F)(F)F 1796187992 RLGAMPZWOFCBSL-UMPJEAMMSA-N 414.189 -0.069 50 20 HBGD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)Br)C2)n1cnnn1 1801439141 UORXOCUSKRMEEL-CSYMLDBXSA-N 401.265 -0.393 50 20 HBGD C[C@H](CC(N)=O)C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809968730 BSLKSYDCQFKFOU-OAHLLOKOSA-N 415.299 -0.277 50 20 HBGD NC(=O)[C@H](N)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](O)CCl)CC2 1815053888 SSCOGYVOIVATRF-XKSSXDPKSA-N 403.892 -0.752 50 20 HBGD C[C@@H](CN)C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815339439 FZNWOIZHCWDBOQ-GWCFXTLKSA-N 402.285 -0.357 50 20 HBGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CS(C)(=O)=O)C2)C1 1831647355 UBTNJALOEPHTQS-CJNGLKHVSA-N 410.920 -0.105 50 20 HBGD CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)CC1 1834622317 CNWZTAOATGYFDK-HXUWFJFHSA-N 402.256 -0.764 50 20 HBGD CC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1835454860 MAGSFFWCMPBSDK-SFHVURJKSA-N 412.198 -0.908 50 20 HBGD O=C(c1[nH]nc2ncccc12)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1836451354 UMSIXUBHOSXOSF-UGSOOPFHSA-N 423.857 -0.372 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)c3nc[nH]n3)CC2)CC1 1838012843 GFUVUWGDVLBEIZ-UHFFFAOYSA-N 421.502 -0.210 50 20 HBGD CN(C)c1cncc(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)c1 1843010600 JJQVLBQHCQHSEA-UHFFFAOYSA-N 408.267 -0.042 50 20 HBGD COCCn1ccc(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)n1 1843514468 NFUIXNJWICQXEJ-UHFFFAOYSA-N 412.255 -0.660 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)Cc2ccc3ncnn3c2)C1 1845027832 VZLGWBOYYDMVOH-UHFFFAOYSA-N 419.250 -0.531 50 20 HBGD CC(C)(C)NS(=O)(=O)c1ccccc1CNC(=O)NNC(=O)C(=O)NC1CC1 139746560 WGAAFAGRLAQQSA-UHFFFAOYSA-N 411.484 -0.128 50 20 HBGD O=C(NNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc[nH]1 731061820 YKCHIBIFUAXDCF-UHFFFAOYSA-N 414.465 -0.341 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl 743258031 UKYUFYVRYBNTFX-RXMQYKEDSA-N 412.833 -0.978 50 20 HBGD O=C(Cn1cc([N+](=O)[O-])cn1)NNc1ccccc1S(=O)(=O)N1CCOCC1 744621173 UBOHTNOACHDEAC-UHFFFAOYSA-N 410.412 -0.045 50 20 HBGD CNC(=O)Cn1nc(NC(=O)C(=O)NNC(=O)COc2ccc(Cl)cc2)cc1C 763685856 YHBNYTNFRACCGD-UHFFFAOYSA-N 422.829 -0.244 50 20 HBGD CCOC(=O)c1cc(C)sc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764225597 AYTCNAPCJPVAOT-MRVPVSSYSA-N 420.469 -0.743 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc2c3c(cccc13)CC2 764226271 HIBPWXLVAWCDIN-SNVBAGLBSA-N 404.448 -0.038 50 20 HBGD CCOC(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 765414391 SPMKBPQTWLNVID-UHFFFAOYSA-N 413.456 -0.662 50 20 HBGD CCn1nc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)ccc1=O 766643445 QIOJILLJBDGXGE-UHFFFAOYSA-N 412.450 -0.518 50 20 HBGD COC(=O)[C@@H]1CN(C(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)c2ccccc2O1 783427258 QSUSGEFKPYHDPA-GUYCJALGSA-N 411.436 -0.848 50 20 HBGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1ccc(-n2cnnn2)cc1 784004583 HJAWEFNXQKRWGO-UHFFFAOYSA-N 414.407 -0.760 50 20 HBGD CC[C@@]1(C)NC(=O)N(CC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1=O 797236099 HQMWDKFTMOFWAP-GOSISDBHSA-N 405.411 -0.219 50 20 HBGD CCOc1ccc(N2C[C@H](C(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2=O)cc1 919884562 HYWGALJDSHMATL-CHWSQXEVSA-N 424.479 -0.044 50 20 HBGD CS(=O)(=O)N1CCCC[C@H]1C(=O)NNC(=O)c1csc(N2CCOCC2)n1 1317779251 QDSGAQPZUBXOPD-LBPRGKRZSA-N 417.513 -0.445 50 20 HBGD Cc1cc(CC(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)no1 1783938115 UPHUGGHAKBDNKG-LJQANCHMSA-N 407.471 -0.272 50 20 HBGD CC[C@@H](C)[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786982659 CFQGPHVUMBKIMK-CRWDZZMISA-N 418.299 -0.633 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)CCl)c1cc(=O)nc2cccnn12 1793113886 WMRWABGALZLOOL-GFQSEFKGSA-N 405.842 -0.059 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C)COC1)C2 1796439872 LJMOYZMNIUAMJO-HKPRQCBYSA-N 417.466 -0.254 50 20 HBGD COC[C@@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)Br)C2 1797971850 USONMMAEQQDXOS-RGCYKPLRSA-N 420.304 -0.490 50 20 HBGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(O)nc1O)C2 1800757660 NPXHFKCUCCEVFQ-CKEKPRIKSA-N 415.244 -0.126 50 20 HBGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCNC(=O)C1)C2 1800762996 MHTLTHFHEYHOEQ-GHMOJZLGSA-N 402.289 -0.114 50 20 HBGD O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839202333 AQCMWAFRHDZYIE-TZMCWYRMSA-N 407.192 -0.779 50 20 HBGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)COCCO)C2)C1 1839965852 NGKZEJACMWAGAX-XJKSGUPXSA-N 423.304 -0.375 50 20 HBGD O=C(CNC(=O)c1cccs1)NNC(=O)c1ccc(CN2C(=O)CNC2=O)cc1 725740832 IJEYRJXAACBZAF-UHFFFAOYSA-N 415.431 -0.009 50 20 HBGD Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 728384185 IYQLNOPCOAISHJ-XIKOKIGWSA-N 422.463 -0.656 50 20 HBGD CCc1ccc(C(=O)NNC(=O)c2cnn[nH]2)cc1S(=O)(=O)N1CCOCC1 729456889 MWLDTVJWKAUDDL-UHFFFAOYSA-N 408.440 -0.537 50 20 HBGD NS(=O)(=O)c1cccc(N2C[C@H](C(=O)NNC(=O)NC3CCCC3)CC2=O)c1 746179133 XNUMOQLZPGOIJX-LLVKDONJSA-N 409.468 -0.040 50 20 HBGD CCS(=O)(=O)N1CCC[C@H](C(=O)NNC(=O)CNC(=O)c2cccs2)C1 751206226 HQDAFICIVQRMDG-NSHDSACASA-N 402.498 -0.313 50 20 HBGD NC(=O)CCOc1ccccc1NC(=O)C(=O)NNC(=O)COc1ccccc1O 764275693 QPYRELYMQLSSHJ-UHFFFAOYSA-N 416.390 -0.189 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=S)NC(C2CC2)C2CC2)n(C)c1=O 764516911 XWNFZUAAUQHAKZ-UHFFFAOYSA-N 405.484 -0.882 50 20 HBGD C[C@@H]1CCC[C@@H](OCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1 766641349 XMZYDQPKBPRVET-VXGBXAGGSA-N 406.443 -0.824 50 20 HBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 771992952 IDTLHWUPAIJSQK-XQQFMLRXSA-N 417.484 -0.853 50 20 HBGD C[C@@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)[C@H](C)S(C)(=O)=O 788262703 XWUWRTDCKDGHKL-MNOVXSKESA-N 405.498 -0.233 50 20 HBGD C[C@H]1CCC(=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)[C@@H](n2cncn2)C1 794525009 RXKIBIXXJACKIO-AAEUAGOBSA-N 413.442 -0.441 50 20 HBGD C[C@H](C#N)CN(C)S(=O)(=O)N1CCN(S(=O)(=O)CBr)CC1 800107319 PDLJYTIOMQJARA-SNVBAGLBSA-N 403.324 -0.378 50 20 HBGD C[C@H]1CCCN(C(=O)C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)C1 802544175 VIUXGWGTLQHBQK-AWEZNQCLSA-N 424.527 -0.281 50 20 HBGD Cn1ncc(I)c1C(=O)NNC(=O)CNC(=O)c1ccco1 815228196 RCIWFAZSLFLMFP-UHFFFAOYSA-N 417.163 -0.191 50 20 HBGD COC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)COc1cc(C)ccc1C 815565634 VPTCKFJDSHFBFN-UHFFFAOYSA-N 403.395 -0.012 50 20 HBGD CS(=O)(=O)C1(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)CCOCC1 1347601019 YGFLJXXSCZAPDN-UHFFFAOYSA-N 418.497 -0.666 50 20 HBGD CC[C@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1 1778942446 GSRYZYAZSOCTRF-BONVTDFDSA-N 401.261 -0.134 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3cccc(F)n3)C2)C1 1779485405 BPDYKUDKTHULFY-FQEVSTJZSA-N 413.214 -0.342 50 20 HBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@]2(CN(C(=O)[C@H](F)Cl)CCO2)C1 1784369652 GIMXHIRWDXPVJQ-JKIFEVAISA-N 415.853 -0.179 50 20 HBGD O=C1CC[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]3C2)N1 1789922034 AFAHZVJHJOHNFP-XPORZQOISA-N 406.252 -0.065 50 20 HBGD CCC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(CCO)CCO)[C@H]2C1 1790906581 DEJSYBVBWQQTAF-NXOAAHMSSA-N 419.950 -0.340 50 20 HBGD O=C(CSc1nc[nH]n1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1791555407 YHTLUEZNMGMYGU-YFKTTZPYSA-N 403.892 -0.524 50 20 HBGD N=C(N)SCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1796032873 LZPQMYSYSMXBDI-ZSBIGDGJSA-N 419.511 -0.046 50 20 HBGD N=C1NCCN1CC(=O)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@@H]1c1cccnc1 1807111382 CVLKDMVEUKJOCY-SQWLQELKSA-N 408.890 -0.473 50 20 HBGD O=C(c1ccncc1F)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830727775 DSIDGJANXRZAMG-RHSMWYFYSA-N 401.822 -0.110 50 20 HBGD O=C(c1cc(Cl)ncn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830730927 GLDMWLNSGPUMJY-BLLLJJGKSA-N 419.265 -0.200 50 20 HBGD COCC(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837696747 DXHFBYVSBCXNFN-UHFFFAOYSA-N 404.272 -0.375 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1837715995 WALJQWUTRQZUDM-KBXCAEBGSA-N 413.547 -0.570 50 20 HBGD C[C@@H]1C[C@@]1(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1839093500 SSQWTUHCEKKUGD-CDHQVMDDSA-N 410.515 -0.138 50 20 HBGD Cc1n[nH]cc1C(=O)NNC(=O)Cn1cnc2c(c(Br)nn2C)c1=O 732084126 MXBADVBEEXPJJJ-UHFFFAOYSA-N 409.204 -0.615 50 20 HBGD Cn1nc(SCC(=O)NN=C2CCN(Cc3ccccc3)C2=O)c(=O)n(C)c1=O 743433902 OIOHFPPPGNZJQT-UHFFFAOYSA-N 416.463 -0.524 50 20 HBGD COCCNS(=O)(=O)c1c[nH]c(C(=O)NNC(=O)COCc2ccccc2)c1 746283843 DTTXRTFZPGMEMN-UHFFFAOYSA-N 410.452 -0.083 50 20 HBGD Cc1cccc(OCC(=O)NNC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)c1 750660331 VDXAUEQDAHGRGT-UHFFFAOYSA-N 409.468 -0.068 50 20 HBGD COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)NNC(=O)Cc2cccnc2)C1 755251461 YBPVUKRPWSFNQM-HNNXBMFYSA-N 413.500 -0.263 50 20 HBGD CCNC(=O)COc1ccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1 755645009 CNAQBHCEHQJNJU-SNVBAGLBSA-N 401.445 -0.708 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)[C@@H]3CN4CCCN3CC4)cc2)CC1 764140740 XIGYWXGURGVCHL-SFHVURJKSA-N 422.555 -0.544 50 20 HBGD CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cn1 769729236 SWMKPFHMWVVPRN-CQSZACIVSA-N 406.420 -0.067 50 20 HBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)NC[C@H](C)O)cc1 772001248 CBVYDMDXUWBQJQ-QWRGUYRKSA-N 401.441 -0.552 50 20 HBGD CN1C(=O)CCc2cc(C=NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)ccc21 774397043 LNSBQWHXECSHBO-UHFFFAOYSA-N 423.433 -0.507 50 20 HBGD C[C@H]1CN(S(=O)(=O)c2cc(C(=O)NNC(=O)CO)ccc2Cl)C[C@@H](C)O1 777782010 MEZINCJYHISFQB-AOOOYVTPSA-N 405.860 -0.109 50 20 HBGD O=C(CO)NNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br 777782121 QXURMZQXBXTBCG-UHFFFAOYSA-N 406.258 -0.013 50 20 HBGD Cn1nc(Br)c2c(=O)n(CC(=O)NNC(=O)N=c3cc[nH]cc3)cnc21 802025321 ASPYLFZCXXCFRP-UHFFFAOYSA-N 421.215 -0.438 50 20 HBGD COCCO[C@H]1COCC[C@H]1NC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 1320740115 SNZMFIAHFUUEHP-CABCVRRESA-N 415.468 -0.145 50 20 HBGD COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N2CC[C@H](B(O)O)C2)CC1 1330262768 STIKEKMITAQDJU-AWEZNQCLSA-N 424.284 -0.051 50 20 HBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(Cl)Cl)C2)[C@H](O)N1CCOCC1 1779416898 CVCLOXNDJFXKOR-OAUYIBNBSA-N 424.325 -0.045 50 20 HBGD NC(=O)c1nccnc1C(=O)N1CC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1779879357 CJULDWJJCGVQQJ-HNNXBMFYSA-N 402.238 -0.177 50 20 HBGD COCc1oncc1C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783935080 OPABEGJXNZCKRJ-LJQANCHMSA-N 423.470 -0.363 50 20 HBGD CCNC(=S)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784094822 ULVZJFKLVCMOTG-CYDGBPFRSA-N 406.936 -0.950 50 20 HBGD C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21)n1ccnc1 1784258096 SGLWAIVVXHQFLW-QAETUUGQSA-N 420.514 -0.203 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)n3)[C@H]2C1 1787442203 IJZKBDFXXNLXBI-KQXIARHKSA-N 414.846 -0.265 50 20 HBGD Cc1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1787703904 AOYLZSBTEOPWAH-VDGAXYAQSA-N 423.278 -0.023 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(O)nn3)C[C@@H]21 1791288798 VJHNNEVIVXJLOO-YDHLFZDLSA-N 420.470 -0.852 50 20 HBGD CC[C@H](NC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCBr 1795112495 HEBJELFECCNNBN-NOHGZBONSA-N 405.293 -0.192 50 20 HBGD CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795735737 BLWSPPNFAKTXBS-NYCLONFESA-N 417.271 -0.630 50 20 HBGD Cc1ccc(O)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c1 1798840111 ZFPHCBZGIMLGBG-CWPLJXCYSA-N 424.262 -0.103 50 20 HBGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C)C1(O)CCC1 1801008978 LEGGWSHVLBYOTJ-ZXFNITATSA-N 410.515 -0.500 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[C@H]1CCCS1 1801564724 MOEUUFYPFDLWTB-YALNPMBYSA-N 404.297 -0.535 50 20 HBGD C[C@H](CC(N)=O)C(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826083502 OJSSODNVNGIUGI-MNOVXSKESA-N 424.527 -0.060 50 20 HBGD C[C@@H](NC=O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1830327253 UKJMJNLAKIJHAY-DNVCBOLYSA-N 415.299 -0.266 50 20 HBGD CCc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)n[nH]1 1830722454 BWZDPODWVQRWIV-PBHICJAKSA-N 400.863 -0.358 50 20 HBGD O=C(C1CCC(CO)CC1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830726182 PAMGJOMPNAHRFY-FCJNSDPXSA-N 418.918 -0.159 50 20 HBGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CSC(=N)N)CCO2)C1 1835516697 SYRKLWYRZHMBLP-HZMBPMFUSA-N 423.333 -0.147 50 20 HBGD CC(C)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cnnn3)CCO2)C1 1836142170 ROYXZYIRGRSMIJ-INIZCTEOSA-N 400.867 -0.606 50 20 HBGD O=C(c1cnc(O)[nH]1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839200431 KOGOHUQVEKXQBU-IINYFYTJSA-N 421.223 -0.124 50 20 HBGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccnn3)C2)C1 1840032237 SFCKCJGGVIFMPT-DOMZBBRYSA-N 416.276 -0.482 50 20 HBGD Cn1cccc1C(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840481170 GOJNVEFOXLAGJZ-KSSFIOAISA-N 413.858 -0.736 50 20 HBGD CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NNc2nnc(C)c(=O)[nH]2)cc1 11334929 BQFLMOOTIOJRHJ-UHFFFAOYSA-N 409.428 -0.804 50 20 HBGD Cn1nc(C(=O)NNC(=O)[C@H]2CCCCN2S(C)(=O)=O)c2ccccc2c1=O 25535085 JAFJTCXCWLOECM-CYBMUJFWSA-N 407.452 -0.491 50 20 HBGD CC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)CNC(=O)c2ccco2)cc1 725902947 YSEAQAWMNGDKFF-UHFFFAOYSA-N 422.419 -0.662 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)COc1cccc(NC(=O)c2ccco2)c1 729275015 JOACEVHMUFVDKD-NSHDSACASA-N 424.435 -0.004 50 20 HBGD CC(C)NS(=O)(=O)c1ccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1 755514694 BMDYTVMEYYYWDC-JTQLQIEISA-N 421.501 -0.536 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(Cl)ccc1N(C)C 764231729 PKWVBXDQGPOUCJ-MRVPVSSYSA-N 405.864 -0.570 50 20 HBGD O=C(CO)NNC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 764422586 XTTAPRVFXJFMJA-UHFFFAOYSA-N 404.832 -0.797 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O 772995615 AHAXJZFWKITVME-VIFPVBQESA-N 405.333 -0.107 50 20 HBGD CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])O1 775458794 AJGSKIYRLHHRQH-RISCZKNCSA-N 409.399 -0.060 50 20 HBGD Cc1sc2ncc(C(=O)NNC(=O)CNC(=O)c3cccnc3)c(=O)n2c1C 775790955 LGWNRRRFUGLWRA-UHFFFAOYSA-N 400.420 -0.041 50 20 HBGD O=C(COC(=O)c1cncc(-n2ccnn2)c1)NNC(=O)[C@H]1COc2ccccc2O1 801883951 PCFLMDHESVKLBM-MRXNPFEDSA-N 424.373 -0.194 50 20 HBGD CCn1nc(C(=O)NNC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)c2ccccc2c1=O 816805765 IHJKCYYVPCBEAR-LLVKDONJSA-N 422.467 -0.907 50 20 HBGD COc1cc(C(=O)NNC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)cc(OC)c1OC 816814280 MTPLBMHLLUYGSP-SNVBAGLBSA-N 416.456 -0.611 50 20 HBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CSCC(N)=O)c1 915261076 CYVOHUXDZGXLSL-UHFFFAOYSA-N 402.498 -0.303 50 20 HBGD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 921294510 QGFZTUNUPAGTNX-SNVBAGLBSA-N 406.442 -0.163 50 20 HBGD C[C@H]1CN(c2ccc(C(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)cn2)C[C@@H](C)O1 1317958964 JTDFXXFVURBXPG-SCRDCRAPSA-N 411.484 -0.174 50 20 HBGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1779087958 OUFMMIQUQRCYAJ-LESCRADOSA-N 403.907 -0.126 50 20 HBGD CCOC(=O)N[C@@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2 1779197068 GMULPZFKAHCVDW-GMIGKAJZSA-N 421.878 -0.836 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ncccn4n3)C[C@@H]21)[C@H](O)CCl 1784090409 DUQAPFAAHRTOMU-RVMXOQNASA-N 408.846 -0.683 50 20 HBGD CN[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](Cl)COC)C[C@@H]21)C(=O)O 1786899480 IIRXLFZXSJBZSY-PEDHHIEDSA-N 405.879 -0.717 50 20 HBGD CCn1nc(C)cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1796136230 DRHCUJHOUWLHLZ-CCWDJLKJSA-N 420.514 -0.212 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C=CCN1)C2 1796440456 MJEUGKHTWGCORO-MWOJSLNISA-N 414.466 -0.762 50 20 HBGD Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)n[nH]1 1797857111 ODYCAGWYROXXCZ-HBCWATKFSA-N 406.487 -0.777 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CNC(=O)O1)C2 1798439508 DJDRVVWSNHRFBS-MIJXAVMKSA-N 402.411 -0.955 50 20 HBGD O=C1CN(CC(=O)N2CC[C@H](CNC(=O)[C@@H](O)CCl)[C@@H]2c2cccnc2)C(=O)N1 1803135670 FKWCYLVSEGJVJB-WWGRRREGSA-N 423.857 -0.761 50 20 HBGD NC(=O)CC[C@H](N)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](O)CCl)n[nH]1 1814870273 MZPDYSVPOXYUQO-MVWJERBFSA-N 400.867 -0.406 50 20 HBGD O=C([C@@H](O)CCl)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)CC1 1824899353 RVWVKYDOYUPINN-KGLIPLIRSA-N 414.890 -0.242 50 20 HBGD O=C([C@H](O)CCl)N1CCO[C@@]2(COCCN(C(=O)C(F)(F)C(F)F)C2)C1 1830726027 NIQCRXYMMCUVLI-RNCFNFMXSA-N 406.760 -0.057 50 20 HBGD O=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2)c1ccco1 1830726568 QSSRIZALZBVUKB-YVEFUNNKSA-N 400.815 -0.482 50 20 HBGD O=C(c1cnn2cccnc12)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731783 PAEOMZMZUIFKLH-RDTXWAMCSA-N 423.857 -0.601 50 20 HBGD O=C(O)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Cl)C3)C2)ncn1 1833492666 RWBFXNOVGILLLL-BLLLJJGKSA-N 416.793 -0.221 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)C3(F)CCC3)C2)C1 1835934397 RHAUVUWVRXLICA-LJQANCHMSA-N 420.246 -0.671 50 20 HBGD O=C(Cn1ccncc1=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1839664190 MFNRKLOOAZCWIN-ZBFHGGJFSA-N 402.810 -0.766 50 20 HBGD O=C([C@H]1Cc2ccccc2CN1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013887 ZLGBAHWLOIFLLV-HXUWFJFHSA-N 419.290 -0.102 50 20 HBGD CCS(=O)(=O)CC(=O)N1CC2(CCCN2C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C1 1843415257 FBFWCEPBYLXCTK-DEDYPNTBSA-N 423.495 -0.242 50 20 HBGD COc1ccc(C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)nn1 1844603768 SJQVBYUAUITKTQ-UHFFFAOYSA-N 411.422 -0.386 50 20 HBGD Cc1nc([N+](=O)[O-])cn1CC(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 728335548 ABBXGVFFUVQSQB-ZDUSSCGKSA-N 419.350 -0.370 50 20 HBGD Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 728374586 CVFTXLAIFKVRMF-CYBMUJFWSA-N 417.509 -0.446 50 20 HBGD CCc1sc(C(=O)NNC(=O)COC(=O)CN2CCS(=O)(=O)CC2)cc1C 736780933 OXCIMCZIKVFIDE-UHFFFAOYSA-N 417.509 -0.346 50 20 HBGD COCCO[C@@H](C)C(=O)NNC(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1 748613193 GJBBHCGZCAKEDR-LBPRGKRZSA-N 402.473 -0.181 50 20 HBGD Cn1cccc1C(=O)NNC(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 756550393 RHDRKOJUHVHPQY-UHFFFAOYSA-N 421.483 -0.032 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1OCC(F)F 764229482 AKDMWEVCEDUWDA-SECBINFHSA-N 422.410 -0.337 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CO)cc1S(=O)(=O)N1CCCCCC1 764428630 JDIOWOOGESXKBF-UHFFFAOYSA-N 412.468 -0.362 50 20 HBGD CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 765070528 KUBLZHNOBYOILD-GHMZBOCLSA-N 406.461 -0.860 50 20 HBGD COc1ccc([C@]2(C)NC(=O)N(CC(=O)NNC(=O)c3cc(C)[nH]n3)C2=O)cc1 765585788 GUGROPQDFAZGLI-SFHVURJKSA-N 400.395 -0.045 50 20 HBGD O=C(COC(=O)c1ccc2nnc(O)n2c1)NNC(=O)[C@@H]1COc2ccccc2O1 767732445 QNOMSXMTAAFNGC-ZDUSSCGKSA-N 413.346 -0.421 50 20 HBGD Cn1c(CC(=O)NNC(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)nc2ccccc21 782888215 URDDBIRJIXGXQV-UHFFFAOYSA-N 419.405 -0.122 50 20 HBGD CO[C@H]1CCC[C@H](CC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1 793674022 JIIWNURZHQKWTN-RYUDHWBXSA-N 406.443 -0.824 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)cc1C 798309118 HSLBYSGXJGQYAO-LBPRGKRZSA-N 422.467 -0.510 50 20 HBGD CCCc1nnc(SCC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)n1N 813440846 VALUFGLXVKTWMF-UHFFFAOYSA-N 419.515 -0.110 50 20 HBGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 913210863 RKJAPICYXXJMPB-SNVBAGLBSA-N 415.381 0.000 50 20 HBGD CN(C)S(=O)(=O)CCCS(=O)(=O)NNC(=O)c1cncn1-c1ccccc1 1347383320 IHOOOSSKWAWRQZ-UHFFFAOYSA-N 415.497 -0.282 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccncc3)CCO2)C1 1779028155 FUIKKMUHNYARPC-FQEVSTJZSA-N 410.434 -0.163 50 20 HBGD CC(=O)C[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779034024 ITXFHKNIJXCQOO-RNODOKPDSA-N 417.466 -0.256 50 20 HBGD CCOC(=O)N[C@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2 1779197067 GMULPZFKAHCVDW-CTWCOEIASA-N 421.878 -0.836 50 20 HBGD C[C@@H](Nc1cnccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784092145 IAAXFXNYPNQSCZ-FQKPHLNHSA-N 411.890 -0.144 50 20 HBGD Cc1nc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)no1 1785276979 ZOEUHLKZNMYCQM-KKUMJFAQSA-N 422.486 -0.727 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)[C@H]1CCCO1 1787125701 RNGFVNPDKIEDQQ-OWLYRPNTSA-N 402.256 -0.861 50 20 HBGD C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21)n1ccnn1 1790645011 XCXPNIHNPVGNMU-VGWMRTNUSA-N 421.502 -0.808 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCC(O)CC3)C[C@@H]21 1791293209 OBSQVHOOOXTUGE-YKFHYGQGSA-N 424.542 -0.110 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COC(=O)C(F)(F)F)C2)[C@H](O)CCl 1792981514 LTAZSCAZJDDTMU-PKIKSRDPSA-N 402.753 -0.719 50 20 HBGD CC(C)(C)OC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792984364 ZCMZKGHDMUBYCL-GFQSEFKGSA-N 405.879 -0.300 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](C)NC=O)C2 1796892723 JYSTVTBGITUEIQ-QTEKUYHDSA-N 402.455 -0.107 50 20 HBGD C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797748681 SLTQWIOMZRDGLR-VWPFQQQWSA-N 417.466 -0.521 50 20 HBGD C[C@H](CC(N)=O)C(=O)N1CCCC2(CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1 1806130437 QTNOMZDVGZBXFX-OAHLLOKOSA-N 415.299 -0.277 50 20 HBGD Cc1cnn(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1 1830722858 HPHIPYOTTRPGQT-WMLDXEAASA-N 400.863 -0.752 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnnc3O)CCO2)C1 1838376284 BDNQXKQRJPILCS-GUYCJALGSA-N 414.846 -0.494 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn(C)n3)C2)C1 1840151237 YGOYTKQYNZNDQL-MLGOLLRUSA-N 401.851 -0.861 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CNC(=O)O2)C1 1841648714 JAUDXHDYLUQJDQ-PUFAJPFRSA-N 402.411 -0.568 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)Cn2nnc3ccccc32)C1 1841815887 KVNXJJWOBSZHRU-UHFFFAOYSA-N 419.250 -0.372 50 20 HBGD CN(C)N(C(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)[C@H]1CCS(=O)(=O)C1 728180768 XNZUWVCIWRVMDK-LIRRHRJNSA-N 420.491 -0.128 50 20 HBGD CC(C)CNC(=O)N1CCC[C@@H](CC(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 741214613 YRFQLFRIQVWANL-UONOGXRCSA-N 417.532 -0.028 50 20 HBGD COc1ccc(C(=O)NNC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cc1OC 742473179 WEJMXQULOULKQZ-CZPYZCIJSA-N 403.391 -0.373 50 20 HBGD O=C(NNS(=O)(=O)c1cccc(-n2cnnn2)c1)[C@H]1COc2ccccc2O1 743729895 KKKFLMIBGCPXAV-OAHLLOKOSA-N 402.392 -0.188 50 20 HBGD C[C@H](O)[C@H](NC(=O)C(C)(C)C)C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1 745701360 DRBCRSBTDRDZTQ-NHYWBVRUSA-N 404.423 -0.226 50 20 HBGD C[C@@H](NC(=O)c1n[nH]c2ccccc12)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 746593722 HDAPMLBBTDEXAS-NXEZZACHSA-N 408.440 -0.801 50 20 HBGD CCn1nc(C(=O)NNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)c2ccccc2c1=O 748524687 TXUCNPGNAGCTOL-LLVKDONJSA-N 409.406 -0.046 50 20 HBGD O=C(NNC(=O)c1ccc(-n2cc(Br)cn2)nn1)C(=O)N1CCCC1 749362681 KFOMGPHJXHXXEY-UHFFFAOYSA-N 408.216 -0.192 50 20 HBGD COc1ccc(C(=O)NNC(=O)CN2CCC[C@@H]2CS(N)(=O)=O)cc1OC 756594861 QJTSKQOTDOLGAI-GFCCVEGCSA-N 400.457 -0.782 50 20 HBGD COc1ncc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)cc1C(N)=O 763864860 LJDAKAZNDHOQCW-VIFPVBQESA-N 419.369 -0.118 50 20 HBGD Cn1c(=O)c2cc(NC(=O)C(=O)NNC(=O)CCc3ccccc3)cnc2n(C)c1=O 764186006 RMOHRWPQVMHQJF-UHFFFAOYSA-N 424.417 -0.649 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccccc1CC(F)(F)F 764228607 YYTTWGIDORZOMS-MRVPVSSYSA-N 410.374 -0.185 50 20 HBGD COc1cc(OC)c(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1Cl 764230788 LEBGIHHWMGDQFJ-SSDOTTSWSA-N 422.847 -0.619 50 20 HBGD CCN1CCN(Cc2ccc(NC(=O)C(=O)NNC(=O)[C@@H]3COCCO3)cc2)CC1 764423926 DOLHVCBQDSPAHF-KRWDZBQOSA-N 419.482 -0.675 50 20 HBGD Cn1cnc(S(=O)(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1 765119660 ZGPHHUVAXZHENE-UHFFFAOYSA-N 406.468 -0.812 50 20 HBGD Cn1cc(S(=O)(=O)NCC(=O)NNC(=O)c2cc(-c3cccs3)[nH]n2)cn1 768261110 QOQZCFSYPYGTOS-UHFFFAOYSA-N 409.453 -0.389 50 20 HBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)cc1 771869451 ZPXGDJVXDOPBCK-QWRGUYRKSA-N 401.441 -0.149 50 20 HBGD Cc1c(/C=C(/C#N)C(=O)N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)cc(C#N)n1C 1324230508 GYTRPFSLMZXMGJ-XXUROBRHSA-N 403.464 -0.126 50 20 HBGD C[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1783533243 SSNUGBVKOAUDPR-XHDPSFHLSA-N 402.293 -0.560 50 20 HBGD CCOC(=O)/C=C/C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1786377343 JZBPKVYSPVZCCR-PARSSZMQSA-N 424.498 -0.542 50 20 HBGD O=C(Cc1ccncc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1789735421 PPDOOFRIELZZGR-IHPCNDPISA-N 423.278 -0.403 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCCO3)[C@H]2C1 1791033512 RFXYKAGXYWCPLV-STECZYCISA-N 417.466 -0.543 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(F)n1)C2)c1ccc(B(O)O)cc1 1795734112 DEJHBFQQZQTVKE-ZSBFGKGUSA-N 413.214 -0.583 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccs1)C2)c1cccc(B(O)O)c1 1795737236 INWPBNODIKKRHC-XOIINTDNSA-N 400.265 -0.055 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Cl)C2)c1cc(=O)nc2cccnn12 1798497717 RTXMDNFPYXCEDN-OWLDWWDNSA-N 409.805 -0.173 50 20 HBGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Br)n1cnnn1 1799352481 YWHLJDHJSDANMY-NZFPMDFQSA-N 405.228 -0.486 50 20 HBGD CN(C)C(=O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1826738647 YWMNABQSDCDSAO-GOSISDBHSA-N 415.299 -0.312 50 20 HBGD C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)C1 1829667240 XROQVNZZLFYCNE-NRFANRHFSA-N 414.267 -0.597 50 20 HBGD CNC(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1831277134 YRBUQYIHGCZXJH-OCCSQVGLSA-N 410.240 -0.731 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)ncn3)CCO2)C1 1831740421 DKTINHTVKHHLES-SJCJKPOMSA-N 414.846 -0.494 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839155494 VJVGPMZRMNJZPS-JKSUJKDBSA-N 407.250 -0.233 50 20 HBGD Cn1nncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839197679 FHJHHJBGJZMVAC-SMDDNHRTSA-N 420.239 -0.424 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccncc3=O)CCO2)C1 1839664543 IQYBFMLKTZBUTI-RDTXWAMCSA-N 412.874 -0.283 50 20 HBGD O=C1C[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C(Cl)Cl)C3)C2)CCN1 1840232619 CGVDYGABUCQETB-BDJLRTHQSA-N 408.282 -0.227 50 20 HBGD CC(=O)N[C@@H](C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2)C(C)(C)C 1841496920 IZRGQFLSDLGHHR-KRWDZBQOSA-N 415.299 -0.266 50 20 HBGD O=C(CCNS(=O)(=O)/C=C\c1ccccc1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 732308057 SEHINCRERYMQQH-SMJHDNPOSA-N 415.493 -0.451 50 20 HBGD CC(=O)N1CCN(C(=O)CCNC(=O)NNc2ccc(-n3cccn3)nn2)CC1 737065650 WIFZWMSAVNAISG-UHFFFAOYSA-N 401.431 -0.631 50 20 HBGD CCS(=O)(=O)N1CCC[C@@H](C(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)C1 744843547 LUKJZHVTFMNUOC-OAHLLOKOSA-N 422.463 -0.076 50 20 HBGD Cc1nn(-c2ccccc2)cc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 764234250 WZWQCERICWWCPW-NSHDSACASA-N 408.440 -0.796 50 20 HBGD Cc1cc(F)c(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1F 765725870 UBUQGYBEFMODTC-UHFFFAOYSA-N 406.349 -0.518 50 20 HBGD Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)C(=O)NNC(=O)[C@H]1COCCO1 785990333 DYAVBJHSLRETPB-OAHLLOKOSA-N 404.423 -0.364 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2ccnn2C(C)(C)C)n(C)c1=O 792378758 CNTQTKLTMVEHCO-UHFFFAOYSA-N 417.430 -0.762 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(F)c(N2C(=O)CCC2=O)c1 806744731 IMXSKGOKYNKPCF-QMMMGPOBSA-N 415.403 -0.431 50 20 HBGD Cn1cc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)nn1 813008857 XYHDDJVQEIUBPP-UHFFFAOYSA-N 409.428 -0.698 50 20 HBGD Cn1nc(SCC(=O)NN=Cc2ccc3c(c2)sc(=O)n3C)c(=O)n(C)c1=O 814784286 AGTKJCFQECLSAR-UHFFFAOYSA-N 420.476 -0.365 50 20 HBGD C[C@@H](CN1CCN(C)CC1)NC(=O)NNC(=O)c1csc(N2CCOCC2)n1 1116002570 QJEHTIPMUZASOU-ZDUSSCGKSA-N 411.532 -0.440 50 20 HBGD O=C(NC[C@@H]1COC2(CCOCC2)O1)NNC(=O)C1CCN(c2ncccn2)CC1 1116494885 LVNXOPRYLANJKZ-OAHLLOKOSA-N 420.470 -0.055 50 20 HBGD CCS(=O)(=O)c1ccc(F)c(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 1330314647 NNMACKGFVTWRDE-SECBINFHSA-N 407.445 -0.250 50 20 HBGD COC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779031410 RULOSPCEYMPPQD-IBGZPJMESA-N 419.438 -0.918 50 20 HBGD Cc1ncc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)[nH]1 1784717523 BRSODIDHMABYBY-DZKIICNBSA-N 406.487 -0.316 50 20 HBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnoc3)C[C@@H]21 1788610426 QVYHETXPQRGTMO-UVBJJODRSA-N 414.422 -0.420 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccoc1)C2)c1ccc(B(O)O)cc1 1795732780 JBCAHQSXEXWLJO-PIHZNMFFSA-N 410.235 -0.124 50 20 HBGD C[C@H](O)C(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1812858534 VOUDTDRORHGHOZ-DXCKQFNASA-N 412.450 -0.220 50 20 HBGD C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830733459 MYHIUQPAIYJRPR-KDOFPFPSSA-N 418.874 -0.448 50 20 HBGD O=C(c1ccnc(F)c1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1831894920 GCVFLGWIDVUHFV-DYVFJYSZSA-N 401.822 -0.110 50 20 HBGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCN(C)CC3)CCO2)C1 1836675735 GKDUUJOYUUHGDZ-LPHOPBHVSA-N 416.950 -0.292 50 20 HBGD Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 729275140 LYNBKNVMMPKNPQ-LLVKDONJSA-N 407.452 -0.243 50 20 HBGD Cn1nc(SCC(=O)NN=Cc2ccc(OCC(=O)O)cc2)c(=O)n(C)c1=O 730569283 SPBNKKBIJUKGQC-UHFFFAOYSA-N 407.408 -0.815 50 20 HBGD CCS(=O)(=O)N1CCC[C@H](C(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)C1 732259501 FVEJKAXCYHEXFL-ZNMIVQPWSA-N 404.533 -0.305 50 20 HBGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)CSCC(=O)N1CCOCC1 734239803 DQSSQLCXWSZHFK-UHFFFAOYSA-N 419.504 -0.567 50 20 HBGD Cn1nnnc1-c1cccc(S(=O)(=O)NNC(=O)COc2ccccc2O)c1 742291960 ROCHKMHLMMSXCA-UHFFFAOYSA-N 404.408 -0.029 50 20 HBGD COc1ccc(Cl)cc1C(=O)NNC(=O)CN(CCO)CCN1CCOCC1 754877342 XELPLHIXRJEDCU-UHFFFAOYSA-N 414.890 -0.264 50 20 HBGD CN1C(=O)c2ccc(NC(=O)C(=O)NNC(=O)COc3ccccc3C#N)cc2C1=O 763808639 ZORJHLSKQMAUHA-UHFFFAOYSA-N 421.369 -0.051 50 20 HBGD C[C@@H]1CN(Cc2ccccc2NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)C[C@@H](C)O1 764434639 QZFZMIFOCZQXNQ-CKEIUWERSA-N 420.466 -0.203 50 20 HBGD Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 764753073 QVLMJQIQYQPYFO-VIFPVBQESA-N 416.442 -0.885 50 20 HBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)NCCO)s1 772158133 IBYLVMXHKUCPGR-SNVBAGLBSA-N 421.497 -0.243 50 20 HBGD COCCO[C@@H]1COCC[C@H]1NC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 776844842 MYNSWBMFRSVSFO-HUUCEWRRSA-N 405.415 -0.573 50 20 HBGD COc1ccc(C(=O)NNC(=O)COC(=O)[C@H](O)Cc2cnn(C)c2)cc1OC 786870677 NEGKNBNCHDIKFQ-CYBMUJFWSA-N 406.395 -0.655 50 20 HBGD C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NNC(=O)C(=O)N1CCCC1 792115575 OJQQIMOSZSGBJY-HNNXBMFYSA-N 404.345 -0.612 50 20 HBGD CN(C)S(=O)(=O)c1c[nH]c(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)c1 794074841 BUDRHXNEHHQLLS-UHFFFAOYSA-N 423.451 -0.048 50 20 HBGD CCOC(=O)c1ccc(F)c(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 795313734 HPIHPBWAGIPKMM-QMMMGPOBSA-N 411.433 -0.750 50 20 HBGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)Cn2nc3ccccn3c2=O)cc1 802064270 KUEGIPIRXMHRED-UHFFFAOYSA-N 404.408 -0.248 50 20 HBGD CCOCC(=O)NNC(=O)C(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 806980280 SAWBAQYGXBQGPD-STQMWFEESA-N 404.423 -0.794 50 20 HBGD COC(=O)C(C)(C)CS(=O)(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 808068533 CDKYCQBDMNXXOP-UHFFFAOYSA-N 421.497 -0.300 50 20 HBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)COCc2nncn2C)c1 814698667 NNHIWSLFUYXPLR-UHFFFAOYSA-N 424.483 -0.177 50 20 HBGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)CN1CCS(=O)(=O)CC1 918143354 YMCCUTZQYPLFMU-UHFFFAOYSA-N 423.539 -0.924 50 20 HBGD CC(=O)N1CCCc2cc(S(=O)(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)ccc21 1317808433 APGAQGWSTUHGSX-ZDUSSCGKSA-N 415.493 -0.270 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nc4ncccn4n3)C2)C1 1777833642 UAMLXLNHLXWLLV-YVEFUNNKSA-N 408.846 -0.178 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3ccncn3)CCO2)C1 1779030185 IIIXCWYYNTUXTH-LJQANCHMSA-N 411.422 -0.768 50 20 HBGD CN1CCCC[C@@H]1C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1781027256 HEQCIVNGJYKWFI-NQIIRXRSSA-N 415.299 -0.706 50 20 HBGD O=C(CN1C(=O)CNC1=O)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781325246 AVROFBATXHRACD-SMDDNHRTSA-N 421.223 -0.941 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(CN(C(=O)CCc3ncc[nH]3)CCO2)C1 1783938291 WNBUKAFWUFONSA-IBGZPJMESA-N 406.487 -0.455 50 20 HBGD C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)CCBr)CCO2)C1)n1cnnn1 1784596130 YKMZAQUYALHKLG-SMDDNHRTSA-N 401.265 -0.151 50 20 HBGD Cn1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)cn1 1786984437 GHCGASLYVGLXAU-WBAXXEDZSA-N 412.255 -0.993 50 20 HBGD Cc1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)cn2[nH]cnc(=O)c12 1792981315 UJLLULULFOHBNF-XCCSTKFXSA-N 423.857 -0.866 50 20 HBGD O=C1COc2ccc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@H](O)CCl)C4)cc2N1 1797449297 KMBVCIBHDSOXLY-DMVWFOPNSA-N 423.853 -0.180 50 20 HBGD CC[C@H](O)C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807359467 IXFPMXICTZMKJF-YTQUADARSA-N 411.267 -0.148 50 20 HBGD O=C(Cn1cncn1)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1817610944 UCTJKLGWYAOCON-INIZCTEOSA-N 423.242 -0.313 50 20 HBGD CCn1nc(C)cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830724240 WWUQIWGFQNDABA-CRAIPNDOSA-N 414.890 -0.119 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cncnc3)CCO2)C1 1833123594 HWKQODOZVCTLEN-CRAIPNDOSA-N 412.874 -0.271 50 20 HBGD CCOC(=O)/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](Cl)COC)C2)C1 1834777961 OVOWQYCQRSTIBF-FHWYHTKLSA-N 418.874 -0.184 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](N)CCC(N)=O)CCO2)C1 1835565803 PVFOGMNCWOQQAE-IIYDPXPESA-N 404.895 -0.947 50 20 HBGD CCC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1837358108 QKWITWVESLSTIN-PXAZEXFGSA-N 400.863 -0.274 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)CS(C)(=O)=O)C2)C1 1837712059 CUROJWJEZQVHKS-INIZCTEOSA-N 422.576 -0.661 50 20 HBGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)C3CN(C)C3)CCO2)C1 1840572301 RKBXTULHFPAWPE-MLGOLLRUSA-N 404.305 -0.212 50 20 HBGD C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)Cn1ccc(=O)[nH]c1=O 15762823 HGUGBEUFJZMLEV-VIFPVBQESA-N 411.212 -0.086 50 20 HBGD CN(CC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)cc1 16785745 XMXUQIXOEYIFLG-JTQLQIEISA-N 423.900 -0.457 50 20 HBGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2ccc(S(N)(=O)=O)s2)n1 728731688 VWJSZPZGSXZRHX-UHFFFAOYSA-N 418.478 -0.293 50 20 HBGD CCNS(=O)(=O)CCNC(=O)NNc1ccc(S(=O)(=O)NC(C)C)cn1 731760669 UXJWYDHATKHPFN-UHFFFAOYSA-N 408.506 -0.666 50 20 HBGD CCC(CC)NC(=O)C(=O)NNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 740851586 MWLFVGAVLVAWAM-UHFFFAOYSA-N 407.383 -0.228 50 20 HBGD NS(=O)(=O)c1cc(C(=O)NNC(=O)[C@H]2CN3CCCN2CC3)ccc1Cl 763461903 AFRAKOHUMNWGNT-GFCCVEGCSA-N 401.876 -0.862 50 20 HBGD COC(=O)c1cc(F)c(C)c(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 769871964 MSPZNQJYJLMFKJ-MRVPVSSYSA-N 411.433 -0.832 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCCC(C)(C)O)nc2)CC1 776258816 GMGXMFURSSHCGZ-UHFFFAOYSA-N 400.505 -0.195 50 20 HBGD CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 787741352 WFZGUEAVECLVIJ-QWRGUYRKSA-N 418.414 -0.937 50 20 HBGD CCN1CCN(CC(=O)OCC(=O)NNC(=O)c2cccc(Cl)c2)C(=O)C1=O 919146628 DZHCPGMMLQNSNB-UHFFFAOYSA-N 410.814 -0.665 50 20 HBGD CNS(=O)(=O)[C@H]1CCN(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)C1 1116349822 NWKMTXOPSOOLCW-ZDUSSCGKSA-N 411.488 -0.943 50 20 HBGD CC(=O)c1ccc(NC(=S)NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)cc1 1317729171 MFQZUEPRIDOWKT-UHFFFAOYSA-N 422.492 -0.209 50 20 HBGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC[C@H](N)C(N)=O)C2 1782170560 QSHTZQKJWZJEPQ-KYZVSKTDSA-N 418.922 -0.653 50 20 HBGD CC[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1783349237 KJZJXLAAEVJWRS-BONVTDFDSA-N 401.261 -0.134 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1783934602 DOJLYAGFKXPAOK-LJQANCHMSA-N 402.455 -0.297 50 20 HBGD C[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1)n1cccn1 1783938484 ZJZFJZVFHNWWMO-KXBFYZLASA-N 406.487 -0.353 50 20 HBGD Cc1ncoc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1786148892 PGUIAMFMDMKBAW-XIRDDKMYSA-N 413.239 -0.430 50 20 HBGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NNC(=O)C3)[C@H]2C1 1788557804 VXTHYVCFJIBMMT-GMOBBJLQSA-N 401.261 -0.375 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cnn(C)c3)[C@H]2C1 1791670985 WCDYJVZDHGDROH-ULQDDVLXSA-N 420.514 -0.685 50 20 HBGD COC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1795517627 CJVHOVZXZCFIPV-CLLJXQQHSA-N 403.439 -0.110 50 20 HBGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCNC1=N 1795582303 UZHMKLKODZINAA-HNCHTBHHSA-N 402.293 -0.801 50 20 HBGD Cn1cc(F)cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1796714338 KSEWJVBZZQOUMU-ZSBFGKGUSA-N 415.230 -0.639 50 20 HBGD CC(=O)N(C)[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1796903078 DOPGBKVXDZPDCS-BIMQEMHKSA-N 401.272 -0.515 50 20 HBGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CNC(=O)O2)[nH]n1 1822410671 OJEHOFLAKORYIM-STQMWFEESA-N 421.458 -0.117 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)cco3)CCO2)C1 1834608693 WCDGFKZPBWFVJE-KSSFIOAISA-N 414.842 -0.036 50 20 HBGD O=C(CC1CC1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1835216156 CVLITHAHBUHWGA-FQEVSTJZSA-N 402.256 -0.764 50 20 HBGD O=C(c1n[nH]cc1[N+](=O)[O-])N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1837794625 VTFJDRKIXFHABM-FZMZJTMJSA-N 405.770 -0.078 50 20 HBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncon3)CCO2)C1 1838319505 VSMAAJVNJUNVAF-HZMBPMFUSA-N 403.233 -0.077 50 20 HBGD Cc1n[nH]c(C)c1CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839238397 LFYKMWBZLJTCSO-CRAIPNDOSA-N 414.890 -0.375 50 20 HBGD CC(=O)N[C@H](C)C(=O)N1CCCC12CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1846003801 WVGCVWMLJDJHLM-IHYLXSPPSA-N 402.455 -0.152 50 20 HBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cccc(S(=O)(=O)N2CCCC2)c1 16786094 MFBPVJDULHBCHX-CYBMUJFWSA-N 415.493 -0.333 50 20 HBGD O=C(NCCN1CCCS1(=O)=O)NNC(=O)c1nn(-c2ccccc2)cc1O 61039816 KENLSBSBUAAPJS-UHFFFAOYSA-N 408.440 -0.443 50 20 HBGD COCCN(C)CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 727032405 ALQFULTZIHYXLE-UHFFFAOYSA-N 401.489 -0.541 50 20 HBGD N#Cc1ccc(C(=O)NNC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)cc1 732244225 YZZRDXMDRVXXQZ-HNNXBMFYSA-N 409.468 -0.009 50 20 HBGD C[C@H](CS(C)(=O)=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 746813829 WBVGCTFLOCHGIQ-GFCCVEGCSA-N 417.509 -0.087 50 20 HBGD Cn1cc(NS(=O)(=O)c2ccsc2C(=O)NNC(=O)N2CCOCC2)cn1 751385915 AJSLMGJXONNUMQ-UHFFFAOYSA-N 414.469 -0.031 50 20 HBGD COCCN(C)S(=O)(=O)[C@@H]1CCCN([C@H](C)C(=O)NNC(=O)CC(C)C)C1 753785165 ISHNNWONUVSRNN-HUUCEWRRSA-N 406.549 -0.059 50 20 HBGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)c1ncsc1S(N)(=O)=O 762955381 WZDVTBGJKAVGGN-UHFFFAOYSA-N 412.449 -0.354 50 20 HBGD Cc1c(NC(=O)C(=O)NNC(=O)COc2ccccc2O)cccc1-n1cnnn1 764277649 MEDPYBCKLGRVOC-UHFFFAOYSA-N 411.378 -0.159 50 20 HBGD CCC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1c(C)nn(C)c1C 764817240 KNTHWXWELVTQOJ-UHFFFAOYSA-N 400.443 -0.285 50 20 HBGD O=C(CN1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)NNC(=O)c1ccccc1 779622202 IOMGITGBHABHBK-INIZCTEOSA-N 410.496 -0.426 50 20 HBGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)C(C)(C)O)(S(C)(=O)=O)CC1 803159977 VQKQXWCYVOGAKR-UHFFFAOYSA-N 407.489 -0.281 50 20 HBGD CCN1CCN(CC(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)C(=O)C1=O 919148264 XDPJZAVDPKGOQF-UHFFFAOYSA-N 410.814 -0.665 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3ccc(CO)o3)C2)C1 1779547094 FERYQJJAIWDCIA-HXUWFJFHSA-N 414.223 -0.791 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(CN(C(=O)CCc3cn[nH]c3)CCO2)C1 1783933616 RYFVYZXAFMBBSZ-IBGZPJMESA-N 406.487 -0.455 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1783935297 SQNDGHZCEHGUNR-HIFRSBDPSA-N 423.283 -0.120 50 20 HBGD C=CCSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1785014595 QSZRYJWYANXDDH-SZMVWBNQSA-N 418.324 -0.121 50 20 HBGD CN[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)Br)C[C@@H]21)C(=O)O 1786898178 GBBMNYAXZXXPHW-VLJOUNFMSA-N 420.304 -0.188 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)C1CC(F)(F)C1 1792602373 GSBHJJOIFZMIPU-MIFYACCESA-N 408.210 -0.385 50 20 HBGD O=C(Cn1nnc2ccccc21)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1793709932 HJMZZYZMCFLDJM-RBNVPPIJSA-N 407.858 -0.379 50 20 HBGD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)cn1C 1796639139 CLJWFWZDMHMIJJ-HGKCTWBKSA-N 405.499 -0.090 50 20 HBGD C[Si](C)(C)OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccncc1=O 1800198785 WSUPXQRRBURQGR-ZSBFGKGUSA-N 408.531 -0.316 50 20 HBGD O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807373718 FAHNSXJKNXFXKF-UZLBHIALSA-N 421.218 -0.831 50 20 HBGD C[C@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2)C1(O)CCC1 1830719791 KOAPNHXHXLLHNM-KEYYUXOJSA-N 404.891 -0.406 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(F)F)CCO2 1834915012 NIYVRZJCIYGWSD-KRWDZBQOSA-N 413.381 -0.980 50 20 HBGD C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839173490 UJEUEXMAEPNRAP-KSSFIOAISA-N 418.874 -0.448 50 20 HBGD CC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1839860441 VUWMBKWYGLCOGV-HOTGVXAUSA-N 410.298 -0.185 50 20 HBGD COC(=O)CSCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(B(O)O)cc1 1847815022 KVMKZWKCUIJQKK-GJZGRUSLSA-N 406.269 -0.912 50 20 HBGD CC[C@@H](Br)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@@H]1NC(=O)NC1=O 1848132736 RYNMOUDIMPUFDS-RCWTZXSCSA-N 401.261 -0.040 50 20 HBGD COc1cc2ncn(CCCC(=O)NNC(=O)C(=O)NC3CC3)c(=O)c2cc1OC 10760704 PHIODOLNRPJJDE-UHFFFAOYSA-N 417.422 -0.380 50 20 HBGD O=C(CNC(=O)c1ccc2c(c1)OCO2)NNC(=O)CNC(=O)c1cccs1 725902427 MOVWLKKBOQSPBF-UHFFFAOYSA-N 404.404 -0.216 50 20 HBGD CN(C)N(C(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O)[C@H]1CCS(=O)(=O)C1 728177800 KFSXWZMPVHAQDG-INIZCTEOSA-N 420.491 -0.449 50 20 HBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 740852654 HDQKFDYVVWETAM-UHFFFAOYSA-N 424.523 -0.017 50 20 HBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)n1 742038129 PDPJNABYSHRSKN-GFCCVEGCSA-N 411.488 -0.635 50 20 HBGD COc1ccccc1NCC(=O)NNC(=O)CCc1nc2c(O)nc(=O)n(C)c2[nH]1 746231763 LLLOBPVPEZVSPM-UHFFFAOYSA-N 415.410 -0.437 50 20 HBGD COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNc3nccn(C)c3=O)C2=O)cc1 747941704 MOAQUHHJLWGKKX-GOSISDBHSA-N 400.395 -0.301 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2c[nH]c(C(=O)O)c2)c1 751262132 MWOWMYYJAXXKAI-UHFFFAOYSA-N 416.437 -0.414 50 20 HBGD C[C@@H](NC(=S)NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)C1CC1 751619109 UBPSISJTWIAVHQ-LLVKDONJSA-N 415.541 -0.047 50 20 HBGD CCOc1ccc(C(=O)NNC(=O)CN2CCN(S(C)(=O)=O)CC2)cc1OC 759637972 ZBHMKLQFJBABKL-UHFFFAOYSA-N 414.484 -0.568 50 20 HBGD Cn1nc(C(=O)NNC(=O)c2csc(S(N)(=O)=O)c2)c2ccccc2c1=O 761651895 BVIBDUHUJFMEFR-UHFFFAOYSA-N 407.433 -0.283 50 20 HBGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccc(-c2nnc3n2CCCC3)cc1 764435530 WNYMNDPRYYDIBQ-CQSZACIVSA-N 414.422 -0.217 50 20 HBGD Cc1ccc(-n2nccc2NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)nn1 773489806 BRVHRRSRZRCFGE-AWEZNQCLSA-N 423.389 -0.103 50 20 HBGD Cc1c(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cnn1C 793350242 JSFYACPOJVDPRT-UHFFFAOYSA-N 401.470 -0.398 50 20 HBGD CN(C)CCN1C[C@@H](C(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)CC1=O 802065494 CAVCVHWXHUMGEC-LBPRGKRZSA-N 411.484 -0.347 50 20 HBGD CCN(CC)S(=O)(=O)c1cc(C(=O)NNC(=O)N2CCN(C)CC2)n(C)c1 807381140 FSKURKLKSJNOIY-UHFFFAOYSA-N 400.505 -0.343 50 20 HBGD CS(=O)(=O)c1nc(C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)c2ccccn12 816880010 AORITOHIJBMNMV-SNVBAGLBSA-N 403.424 -0.647 50 20 HBGD C=CCN1C(=O)c2ccc(C(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)cc2C1=O 919884632 JFHFUTPUUYFTQM-NSHDSACASA-N 406.420 -0.400 50 20 HBGD Cn1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cn1 1779028431 LNNLPUGKSFBRNG-LJQANCHMSA-N 413.438 -0.824 50 20 HBGD Cc1nccn1CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1782774324 IFBZIMHIVVHUES-FQEVSTJZSA-N 412.255 -0.985 50 20 HBGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@@H](N)C(N)=O)C[C@@H]21 1791057321 BBNHRPRNBWWQMR-SJHCENCUSA-N 419.320 -0.658 50 20 HBGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21 1791058132 QQPBYMQRDJSSFG-RHYQMDGZSA-N 401.265 -0.564 50 20 HBGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)C1(O)CCC1 1792474245 FSNLUMAYRMXBST-NYCLONFESA-N 416.283 -0.879 50 20 HBGD Cc1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)cn2[nH]cnc(=O)c12 1798459438 KNDYUUBMLNKEBP-ZMJPVWNMSA-N 423.857 -0.866 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)c1cnc2c(c1)CCNCC2 1800244196 VIGJFICSTWGMFG-CYGHRXIMSA-N 422.913 -0.427 50 20 HBGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@](C)(O)CC(=O)O)C2 1800763118 OVIZULWZSAHNTK-FJTJADAOSA-N 421.288 -0.025 50 20 HBGD Nc1n[nH]c(CCC(=O)Nc2nc3c(s2)C[C@H](NC(=O)[C@@H](O)CCl)CC3)n1 1819550024 BSVODDRLARHORQ-APPZFPTMSA-N 413.891 -0.012 50 20 HBGD NC(=O)[C@H](N)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](O)CCl)CC1 1826933112 WPCFBJSHASORNH-ILXRZTDVSA-N 402.923 -0.201 50 20 HBGD CCN1CCC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)CC1 1830738699 RSLLWXUXGKTJAY-APWZRJJASA-N 417.934 -0.226 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn(C)c3)C2)C1 1840151188 XJZWKRSTEUIPCA-WMLDXEAASA-N 400.863 -0.256 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCn3cncn3)CCO2)C1 1840359524 KOOBGQABOMEXHC-WMLDXEAASA-N 415.878 -0.622 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2c(O)cc(O)cc2O)C1 1845420773 SPWGRNGGDXALCF-UHFFFAOYSA-N 412.207 -0.386 50 20 HBGD O=C(O)c1cc2c(c(S(=O)(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)c1)CCC2 108361438 ISEJAEAFGOCNTL-SNVBAGLBSA-N 402.450 -0.382 50 20 HBGD Cn1c(=O)c2cc(C(=O)NNC(=O)NCCc3cccs3)cnc2n(C)c1=O 139479007 SJPVFOXUYPLWII-UHFFFAOYSA-N 402.436 -0.120 50 20 HBGD CCC(=O)NNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 731849096 UFRNQKKXJLUNOR-GFCCVEGCSA-N 413.456 -0.153 50 20 HBGD O=C(NNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1)N[C@@H]1CCS(=O)(=O)C1 732755825 XTHTYQSBFWYVBG-MCIONIFRSA-N 400.501 -0.067 50 20 HBGD CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(CC(=O)NNC(=O)C2CC2)C1 733194710 JQROFUDQSOJKSA-AWEZNQCLSA-N 411.503 -0.103 50 20 HBGD CCC(CC)NC(=O)C(=O)NNC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 740850963 IYACSAIIVKSLJV-OAHLLOKOSA-N 411.503 -0.848 50 20 HBGD CS(=O)(=O)N1CCC[C@@H]1CNC(=O)NNC(=O)COc1ccccc1[N+](=O)[O-] 753697380 NXHYXLSFRYRKQU-LLVKDONJSA-N 415.428 -0.272 50 20 HBGD COc1cccc(C[C@H](C(=O)NNC(=O)C(=O)Nc2ccccn2)n2nnnc2C)c1 758841885 XVQUUYMVMPPYKP-OAHLLOKOSA-N 424.421 -0.045 50 20 HBGD C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)Cc1ccncc1 763060975 CHBAUSQVDMQCPE-LLVKDONJSA-N 405.436 -0.763 50 20 HBGD N#CCn1cc(NC(=O)C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)cn1 763530839 ISCUDMRZNWAEBF-UHFFFAOYSA-N 424.465 -0.295 50 20 HBGD CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNC(=O)CCc1ccco1)CC2 764178029 YNCVKVYRKSVXFP-UHFFFAOYSA-N 420.447 -0.143 50 20 HBGD Cc1coc(-c2cccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c2)n1 764225655 BULOJEPYKYAFAK-JTQLQIEISA-N 409.424 -0.326 50 20 HBGD CCO[C@@H]1C[C@@H]1C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 766637127 YEIWRCAQWKIOMY-DLBZAZTESA-N 424.523 -0.126 50 20 HBGD CC[C@H](Cc1ccccc1)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 766646039 WJDACVKOEPMMHC-CQSZACIVSA-N 412.450 -0.150 50 20 HBGD NS(=O)(=O)c1cnn(CC(=O)NNC(=O)c2ccc(Br)cc2)c1 1322566137 XLZWRFFYDNICTI-UHFFFAOYSA-N 402.230 -0.246 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 1779885893 FKINQDCVHYRCLJ-LJQANCHMSA-N 405.455 -0.864 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCCCN1C)CCO2 1783932967 NGDQQOTZYZDPJZ-OXQOHEQNSA-N 409.531 -0.326 50 20 HBGD COC[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786980053 DCOVJGCTEJYPIX-IKICRFKJSA-N 404.272 -0.758 50 20 HBGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)n1ccnc1 1793141233 LCGVTNVADYTZIY-NYCLONFESA-N 412.255 -0.973 50 20 HBGD CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Cl 1796361293 MNGSZZRLOAAMHD-FPYNETTCSA-N 423.869 -0.004 50 20 HBGD CS(=O)(=O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Br 1799346174 GZTFNRZUWDSVLX-JZSSXWJLSA-N 401.254 -0.689 50 20 HBGD CN1CCN(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)[C@@H](O)CCl)CC3)CC1 1818794364 MFBPRCXZPAVEGR-AAEUAGOBSA-N 415.947 -0.098 50 20 HBGD C[C@H](NC=O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1 1822415712 RIMKNSNULHYWKV-GXTWGEPZSA-N 407.475 -0.091 50 20 HBGD C[C@](O)(C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1)C(F)(F)F 1830725635 LFOUTJHFRNITEP-BPNCWPANSA-N 418.796 -0.644 50 20 HBGD CC(=O)NCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1 1830726919 WQTKPASCJDRCQX-KBXCAEBGSA-N 419.906 -0.795 50 20 HBGD COC(=O)CSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1831443043 LGAVBEFBNHSIFJ-ZFWWWQNUSA-N 412.867 -0.117 50 20 HBGD CN1CCN(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Cl)C3)C2)CC1 1836672233 PDAUQZCBXIOXGL-NVXWUHKLSA-N 406.886 -0.775 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C(/C)C(=O)O)CCO2)C1 1840839103 JDQYFJQQFPISOK-CRASNYAKSA-N 404.847 -0.273 50 20 HBGD COC(=O)[C@H]1CC[C@@H](C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)C1 1841340594 FPARHVMIKJIEHU-CVEARBPZSA-N 414.267 -0.227 50 20 HBGD COc1ccc(C(=O)NCC(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)cc1[N+](=O)[O-] 728178004 NZRSICJTAYCDKU-LBPRGKRZSA-N 414.440 -0.175 50 20 HBGD O=C(COC(=O)CCCNC(=O)C1CC1)NNC(=O)[C@H]1COc2ccccc2O1 728324593 ATSJSXTZNZTYTH-OAHLLOKOSA-N 405.407 -0.177 50 20 HBGD CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1 729275004 JIFYECHOHPYNJG-QWRGUYRKSA-N 420.513 -0.538 50 20 HBGD COCCN(CC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)OC(C)(C)C 733951830 QEDVQNCJVSRTIV-LLVKDONJSA-N 408.477 -0.613 50 20 HBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 764316775 DUKUFLDFPYXLPO-UHFFFAOYSA-N 406.848 -0.287 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NN=C2CCN(c3ccccn3)CC2)n(C)c1=O 764819954 XHQAXZFBNBYXTI-UHFFFAOYSA-N 410.438 -0.399 50 20 HBGD Cn1c(CC(=O)NNC(=O)C(=O)Nc2cccc(-n3cnnn3)c2)nc2ccccc21 782884063 FCRIGBNHHUKRQD-UHFFFAOYSA-N 419.405 -0.122 50 20 HBGD COC(=O)C(C)(C)c1ccc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)cc1 784000107 VUKONYSQOLBPMW-UHFFFAOYSA-N 404.423 -0.155 50 20 HBGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1ccc(OCC(F)(F)F)nc1 784002186 ABRMWARMLJKZDD-UHFFFAOYSA-N 403.317 -0.269 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)N[C@H]1CCCN(c2cccnc2)C1=O 784261898 BUINHXHUUSUAIO-ZDUSSCGKSA-N 400.395 -0.070 50 20 HBGD O=C(CN1CCCC1=O)NNC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 789857676 JHOYVMHTRDHGCC-AWEZNQCLSA-N 424.479 -0.473 50 20 HBGD Cc1cc(F)c(C(=O)O)cc1S(=O)(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 793381984 RSOJDULSCMHPQY-MRVPVSSYSA-N 409.417 -0.488 50 20 HBGD CC[C@H](C)CC[C@H](O)CC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 793674557 KWKYDBIHXLGPEH-RYUDHWBXSA-N 408.459 -0.842 50 20 HBGD O=C1N[C@H]2CCN(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)C[C@@H]2CO1 798509777 XKUXWGYPAGKRRI-MNOVXSKESA-N 410.456 -0.236 50 20 HBGD CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)NNC(=O)CNC(=O)c2ccco2)=NO1 798946512 VVTWAZCFTSQRFC-JTQLQIEISA-N 409.399 -0.174 50 20 HBGD CN1CCN(C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)CC1 804029745 CUKXCYWSLMXWNJ-UHFFFAOYSA-N 403.892 -0.051 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@]23CCC(=O)N2CCS3)c1 811923016 RBNJHXLVXILEHK-INIZCTEOSA-N 412.493 -0.237 50 20 HBGD NS(=O)(=O)c1ccc(CCC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 916829384 LKKJKOLEQKKZQJ-UHFFFAOYSA-N 415.435 -0.297 50 20 HBGD O=C(NNS(=O)(=O)c1cccc2c1COC2=O)c1ccc(-n2cnnn2)cc1 918726885 VVSMABHLACTOOC-UHFFFAOYSA-N 400.376 -0.044 50 20 HBGD CC[S@@](=O)CCC(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1778825686 KNYBMLSEUGNOEV-XDBZFTIUSA-N 416.544 -0.652 50 20 HBGD C[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)Cn3ccncc3=O)CCO2)C1 1783537030 OWJXOZXUODUOIT-BLLLJJGKSA-N 413.272 -0.143 50 20 HBGD CCNC(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](Cl)COC)C2)C1 1783878378 XOZMHICGUKFAPW-XNJGSVPQSA-N 404.895 -0.222 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCS3)C[C@@H]21)c1cccc(B(O)O)c1 1786986503 HVWAUFCXATWGQL-DKIMLUQUSA-N 418.324 -0.145 50 20 HBGD Cc1nccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)n1 1787696030 ZVZKAOQZRPMJQV-ZOBUZTSGSA-N 418.498 -0.249 50 20 HBGD N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)CCC1 1792138952 HPCVABNOOZSDHM-SZMVWBNQSA-N 411.267 -0.346 50 20 HBGD Cc1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)cs1 1795732556 UYBNJDOYNWBROO-XOIINTDNSA-N 415.280 -0.352 50 20 HBGD CCC[C@H](NC(C)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796190521 HQXXFZRPXPWOGZ-RDGPPVDQSA-N 415.299 -0.077 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CO[Si](C)(C)C 1797956377 BJPPKJNTLWWRKK-ZSBFGKGUSA-N 414.579 -0.200 50 20 HBGD NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815359776 DTAHPBXERKKMEZ-GFCCVEGCSA-N 416.268 -0.686 50 20 HBGD CN(C)C(=O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1817171258 VMFFUQZLVABFLD-OAHLLOKOSA-N 413.243 -0.516 50 20 HBGD O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1825664545 IWBYUROYCZXPHG-GFCCVEGCSA-N 413.220 -0.863 50 20 HBGD C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)C1 1829667244 XROQVNZZLFYCNE-OAQYLSRUSA-N 414.267 -0.597 50 20 HBGD CNC(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CBr)C2)C1 1831265921 KTYLMXIHMFVSQQ-MLGOLLRUSA-N 420.304 -0.390 50 20 HBGD Cc1nn(C)c(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1831804606 RXFKUROTKKLXIS-KSSFIOAISA-N 414.890 -0.293 50 20 HBGD CCOC(=O)/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](Cl)COC)C2)C1 1834777960 OVOWQYCQRSTIBF-CRPWZZHVSA-N 418.874 -0.184 50 20 HBGD CC[C@H](C)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835934257 RTIWOFDNKQTXNK-KKSFZXQISA-N 418.299 -0.127 50 20 HBGD COC[C@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3C[C@H](O)CN3)CC2)CC1 1836361106 AJUUBALXKVNHLB-ULQDDVLXSA-N 416.950 -0.465 50 20 HBGD CNC(=O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1839150320 JFGITHZGIQBRDD-CVEARBPZSA-N 410.298 -0.185 50 20 HBGD Cc1nn[nH]c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199617 RBVJAOWRCIKKLT-FZMZJTMJSA-N 420.239 -0.126 50 20 HBGD C/C=C(/C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839823837 LAZVNBMYHWMGFX-WIJZHZITSA-N 402.256 -0.597 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CCO2 1840609712 QXGLITSLMQSDEB-JSEZXORMSA-N 402.875 -0.411 50 20 HBGD O=C(c1nc2ccccn2n1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011137 VFWIHVAVLKKBPW-UHFFFAOYSA-N 405.223 -0.460 50 20 HBGD COCCn1ccc(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)n1 1843514451 LFXMQQVPNJYEOS-UHFFFAOYSA-N 412.255 -0.660 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2nn[nH]c2C(F)(F)F)C1 1844806717 ZUNGSNGXMQBZBY-UHFFFAOYSA-N 423.160 -0.366 50 20 HBGD O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)NNC(=O)COc1ccccc1O 732086116 SDTKOQBEFAHZQN-QGZVFWFLSA-N 420.466 -0.368 50 20 HBGD COc1ccccc1CC(=O)NNC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 734686838 WKRSTTWKAJFTPX-QGZVFWFLSA-N 405.499 -0.025 50 20 HBGD C[C@H](C(=O)NNC(=O)c1ccc2c(c1)OCCO2)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 742242797 LOXPDSHHSUFXIG-CEMKBHKYSA-N 415.402 -0.230 50 20 HBGD Cn1cc(C(=O)NNC(=O)CCC(C)(C)C(=O)NNC(=O)c2cnn(C)c2)cn1 749393795 PSQHLUHEQRQVSU-UHFFFAOYSA-N 404.431 -0.818 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1nc(-c2ccccc2)cs1 764227850 SAUZKYVMXBTDFA-SECBINFHSA-N 411.465 -0.166 50 20 HBGD Cc1cc(Br)ccc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764229869 CNLICJWYSRDLRS-MRVPVSSYSA-N 421.273 -0.219 50 20 HBGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)CCNC(=O)OC(C)(C)C)cn1 771737258 CHUUGNMWRJLZPL-UHFFFAOYSA-N 401.445 -0.335 50 20 HBGD O=C(Cc1cc[nH]n1)NNC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 801152217 MMVNMRBHZYHZSD-UHFFFAOYSA-N 411.415 -0.427 50 20 HBGD Cc1nn(C)cc1S(=O)(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 808098430 MGAWMKBYFLNEMZ-UHFFFAOYSA-N 420.495 -0.504 50 20 HBGD CN(C)S(=O)(=O)c1ccc(NNC(=O)c2cc(S(N)(=O)=O)cn2C)cc1 812731473 JAXFNCPPWWXLHG-UHFFFAOYSA-N 401.470 -0.320 50 20 HBGD N#Cc1ccc(S(=O)(=O)NCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 913416373 AYXVRQQULLLOKE-MRXNPFEDSA-N 416.415 -0.176 50 20 HBGD CC(=O)N(C)[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2 1778098198 DHPZAWQUEINPDS-CTNYNGJSSA-N 403.907 -0.033 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCC=CO3)C2)C1 1778984774 OKKBTYIAXMJPNY-PXNSSMCTSA-N 400.240 -0.497 50 20 HBGD C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779028302 CKEZNISGAJFMSW-VBKZILBWSA-N 417.466 -0.280 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](O)N3CCOCC3)CCO2)C1 1781230515 UNJYXEAVFZCZRU-RRQGHBQHSA-N 424.325 -0.297 50 20 HBGD CCC1(C(=O)N2CC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)COC1 1782948505 DUWLGOAGWKPJOC-FQEVSTJZSA-N 417.466 -0.445 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)CSc3nc[nH]n3)CCO2)C1 1783878941 LMQJOKMYVKPIBU-IAQYHMDHSA-N 403.892 -0.020 50 20 HBGD C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1)N1C[C@@H]2C[C@H]2C1 1783935141 ODKUTNHFFSWPOO-JJDSTIRJSA-N 421.542 -0.471 50 20 HBGD C[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)N1C[C@H]2C[C@@H]2C1 1796191484 QHZKKZOCDUCCEY-QQVSMIMBSA-N 411.311 -0.042 50 20 HBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccncc1)C2 1797749719 LKXQMZWCMDGXBR-XOIINTDNSA-N 410.434 -0.403 50 20 HBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCOCC1)C2 1797750885 WKRYDKQTQWZCFG-XOIINTDNSA-N 417.466 -0.685 50 20 HBGD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Br)n1cnnn1 1799352479 YWHLJDHJSDANMY-HHKYUTTNSA-N 405.228 -0.486 50 20 HBGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@@H](N)C(N)=O)C2 1800640224 ZQXJGUOJOZRGOR-XJGUIPMBSA-N 419.320 -0.658 50 20 HBGD N=C1NCCN1CC(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@H]1c1cccnc1 1807111338 CVLKDMVEUKJOCY-DZKIICNBSA-N 408.890 -0.473 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CC[C@@H](CNC(=O)[C@H]2C[C@@H](O)C2)[C@H]1c1cccnc1 1809506133 SFBLVOOCHYWMRY-RAUXBKROSA-N 423.278 -0.148 50 20 HBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)[C@H](O)CCl)[nH]n1)c1ccc(B(O)O)cc1 1817470716 WUOKZKRYPFEMRK-HUUCEWRRSA-N 420.662 -0.005 50 20 HBGD O=C(CN1C(=O)C=CC1=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](O)CCl)CC2 1826313363 TXSTUOYOEPKTLW-PSASIEDQSA-N 412.855 -0.420 50 20 HBGD COC(=O)NCC(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833312762 CHXIRAGIUIEWHP-AWEZNQCLSA-N 404.895 -0.486 50 20 HBGD O=C(CCN1CCCC1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840938381 RDCBOVGHVDUWSQ-MAUKXSAKSA-N 403.907 -0.472 50 20 HBGD CCC[C@H](NC(C)=O)C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843015752 XQTKITHYPSUBQN-KRWDZBQOSA-N 401.272 -0.512 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)CCS(C)(=O)=O)C1 1846700334 UXGYVJMKOVYPRY-DEDYPNTBSA-N 423.495 -0.242 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 17406972 XKLCDUAPZLFXBW-LBPRGKRZSA-N 403.482 -0.802 50 20 HBGD C[C@@]1(C2CC2)NC(=O)N(CC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)C1=O 728845126 HBGULISLXXLJGT-IBGZPJMESA-N 415.454 -0.439 50 20 HBGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 740812719 XPFONZQJDJBHJF-UHFFFAOYSA-N 420.513 -0.449 50 20 HBGD C[C@H](NC(=O)c1n[nH]c2ccccc12)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 746593734 HDAPMLBBTDEXAS-UWVGGRQHSA-N 408.440 -0.801 50 20 HBGD CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)NNC(=O)COc2ccc(C#N)cc2)C1=O 753016478 IWKFSTLZRRCQJD-DJJJIMSYSA-N 414.422 -0.012 50 20 HBGD C[C@@H](O)c1cn(CC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)nn1 763010605 AEBFOACOKCJCTG-OAHLLOKOSA-N 401.471 -0.309 50 20 HBGD O=C(CCNS(=O)(=O)c1ccc(F)cc1)NNC(=O)CNC(=O)c1cccnc1 763821204 UOYZMWDMKKBFNI-UHFFFAOYSA-N 423.426 -0.534 50 20 HBGD COC(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 765372626 SOFIFKNVZNKARW-GHMZBOCLSA-N 414.440 -0.190 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccnn1-c1cccc(F)c1 770771506 KHYFWDNFFKPMEH-VIFPVBQESA-N 412.403 -0.965 50 20 HBGD COCCO[C@@H]1C[C@@H](CO)CN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1 773958127 CCFMVKQFVRQFGS-CZUORRHYSA-N 410.427 -0.298 50 20 HBGD N#Cc1cccc(C(=O)NNC(=O)CN2CCC(O)(CN3CCOCC3)CC2)c1 779603454 BAVPCDWPNWQCMS-UHFFFAOYSA-N 401.467 -0.522 50 20 HBGD O=C(NNC(=O)[C@H]1CCCN1C(=O)c1ccccc1O)N[C@@H]1CCS(=O)(=O)C1 780908171 RETFXJXMXBRQRC-DGCLKSJQSA-N 410.452 -0.486 50 20 HBGD CC(=O)N1CCN(c2cccc(NC(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)c2)CC1 782084096 VOGYRHFMYNBIFC-AWEZNQCLSA-N 423.495 -0.058 50 20 HBGD NC(=O)[C@@H]1CCC[C@@H](C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)C1 787834443 LTRNCESPZJFSSP-JMSVASOKSA-N 405.407 -0.191 50 20 HBGD CCN(CC)S(=O)(=O)N1CCN(CC(=O)NNC(=O)c2cccs2)CC1 822048017 LHZFHNYJGAKPHU-UHFFFAOYSA-N 403.530 -0.287 50 20 HBGD Cn1cnc(CNC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n1 1323303849 QQPXOAVQFLBHQY-UHFFFAOYSA-N 407.456 -0.256 50 20 HBGD COc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)nc1 1783934961 NVUCITFPCRHCMW-HXUWFJFHSA-N 419.482 -0.093 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)CCCn3ccnc3)C2)C1 1784402748 GOOKUAYUJMOVKT-FQEVSTJZSA-N 420.514 -0.134 50 20 HBGD Cn1cccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)c1=O 1793785212 IBXOPBORXSKWDH-BJWYYQGGSA-N 409.251 -0.369 50 20 HBGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H](NC)C(=O)O 1795647505 PLEBMJCKGSLCSN-GHMOJZLGSA-N 420.304 -0.188 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccns1)C2)c1ccc(B(O)O)cc1 1795732449 GUHMUNVRNIDUDD-YWVIFJGQSA-N 401.253 -0.660 50 20 HBGD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)c[nH]1 1796664533 XUJPLUQWBLWNSC-XOIINTDNSA-N 412.450 -0.161 50 20 HBGD CSCC[C@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1802360903 MFDIJJOHBQKJSG-YVSFHVDLSA-N 406.313 -0.268 50 20 HBGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1ncon1)CC2)c1cccc(B(O)O)c1 1815361094 XCGUXKMTUDZNQE-LLVKDONJSA-N 413.224 -0.255 50 20 HBGD CC(C)n1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)n1 1830728874 YTACMECCDIAAPD-CXAGYDPISA-N 415.878 -0.471 50 20 HBGD Cc1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)[nH]1 1831861932 MOHGWMWMVATWBW-LJQANCHMSA-N 422.486 -0.839 50 20 HBGD COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)nn1C 1838832405 YJOMDCTVSPCCQO-DYVFJYSZSA-N 416.862 -0.902 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 1839152396 YBWWTCLFOXWLHJ-JLZZUVOBSA-N 422.309 -0.042 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)n[nH]3)C2)C1 1840151876 PTJSEISZEFXYFU-BZNIZROVSA-N 402.835 -0.561 50 20 HBGD O=C(c1cc(=O)n2[nH]nnc2n1)N1CC2(CCCN2C(=O)CCBr)C1 1842637797 JMEWJUPCBRPPCB-UHFFFAOYSA-N 410.232 -0.585 50 20 HBGD Cc1nc2ncccn2c1C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1843748944 BQZMOEHDQAKNGS-UHFFFAOYSA-N 419.250 -0.152 50 20 HBGD CC1CCC(N2C[C@H](C(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)CC2=O)CC1 731343551 XDSYNMPRFYNLTR-DKNRTOFZSA-N 400.501 -0.069 50 20 HBGD CC(C)CNC(=O)N1CCC[C@H](C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 741213513 PIGJKQOFGUHFLK-QWHCGFSZSA-N 403.505 -0.419 50 20 HBGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cn1C 763576956 DWYKAGKRUUYTDE-AWEZNQCLSA-N 402.363 -0.262 50 20 HBGD CCS(=O)(=O)NCc1ccc(C(=O)NNC(=O)CNC(=O)c2cccnc2)cc1 763818354 IQWRZQOITHHEDW-UHFFFAOYSA-N 419.463 -0.288 50 20 HBGD C[C@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)NNC(=O)c2cnn[nH]2)C1=O 771320312 BZHNLNIZRYFKPG-OAHLLOKOSA-N 409.765 -0.175 50 20 HBGD O=C(COC(=O)[C@H]1CCCCS1(=O)=O)NNC(=O)[C@H]1COc2ccccc2O1 772417200 URGSMBSAVQIFAO-ZIAGYGMSSA-N 412.420 -0.516 50 20 HBGD CN(C)CCOCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 788013101 FZNWPPOWVCJRTA-UHFFFAOYSA-N 401.489 -0.541 50 20 HBGD CS(=O)(=O)C1(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)CC1 792238044 QDWDPGJQGPATDJ-UHFFFAOYSA-N 408.480 -0.831 50 20 HBGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1cc(Cl)cc(C(N)=O)c1OC 793024890 HWEFGCLEVXNCLM-MRVPVSSYSA-N 416.818 -0.415 50 20 HBGD Cc1cc(C(F)(F)F)ncc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 810386714 OEDGBVOPCYNVBB-SSDOTTSWSA-N 411.362 -0.568 50 20 HBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCCCS(C)(=O)=O 1318054882 WYJAAKLEOIXVLY-UHFFFAOYSA-N 405.502 -0.333 50 20 HBGD O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1779098481 ICKATVVGIXEQSO-WRIKSJFWSA-N 403.863 -0.055 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cncn1)C2 1782211876 CVONUNYXXGKIPO-DNVCBOLYSA-N 421.502 -0.835 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CCOC2)C1 1782699655 YKDSINOATOZPLQ-JXXFODFXSA-N 410.515 -0.090 50 20 HBGD CC(F)(F)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1786752290 NFVWQIIGZWIRQU-BPNCWPANSA-N 411.409 -0.066 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCN(C)CC3)[C@H]2C1 1788194981 CDTXRCIXUSDYKL-NXOAAHMSSA-N 416.950 -0.533 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@](C)(O)CC(=O)O)[C@H]2C1 1791287117 IPCAKTFGBHEAHW-PCBYGDGMSA-N 420.890 -0.164 50 20 HBGD C[C@H]1C[C@@]1(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797752885 LQXDYWIMTMYELE-HSTADXMGSA-N 401.467 -0.066 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnn2c1OCCC2)c1ccc(B(O)O)cc1 1800940865 RWNFJYPOAWRWOJ-BJWYYQGGSA-N 424.266 -0.089 50 20 HBGD CCNC(=S)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](Cl)COC 1800979480 KNBYBWFWJYOZMV-GFQSEFKGSA-N 406.936 -0.686 50 20 HBGD CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801010749 UKTAMHZLBNNYCT-RMHZUWNSSA-N 400.545 -0.097 50 20 HBGD CC(=O)NCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1825161174 ACNGSHWAAKZFCB-ZDUSSCGKSA-N 416.268 -0.815 50 20 HBGD O=C(CN(CCO)CCO)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](F)Cl)CC2 1825324594 YXLYKWZUSHOJGT-ZANVPECISA-N 408.883 -0.124 50 20 HBGD NC(=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827053628 WKUHTIHAKZBYDQ-GOSISDBHSA-N 415.299 -0.135 50 20 HBGD CNc1nsnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1829749072 PVIMDJBVIXYANZ-MEBBXXQBSA-N 419.891 -0.751 50 20 HBGD CC(=O)N[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833312274 OGXJMSHALQOUHC-WBMJQRKESA-N 402.923 -0.318 50 20 HBGD O=C(Cn1ccccc1=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1835995656 TZBUZDXQSDGOMN-DOTOQJQBSA-N 401.822 -0.161 50 20 HBGD O=C(Cn1ccnn1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1836211085 VXUXLABRGAWXBN-JSGCOSHPSA-N 420.239 -0.575 50 20 HBGD CCCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837668980 DIXRWHROUDFUFI-LBTNJELSSA-N 419.906 -0.653 50 20 HBGD CNC(=O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840030454 MUQCVJXQLCVXDB-IAQYHMDHSA-N 406.277 -0.638 50 20 HBGD CCOC(=O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840882010 AGKAIAAXKNKEDK-FZKQIMNGSA-N 420.890 -0.368 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)NCCc2cccs2)n(C)c1=O 139520858 GWUSVXFQYRRVBM-UHFFFAOYSA-N 405.440 -0.932 50 20 HBGD O=C(NCCc1cccs1)NNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 729344478 VOJFHLIHDMBHPT-AWEZNQCLSA-N 409.512 -0.198 50 20 HBGD O=C(CCNS(=O)(=O)c1ccccc1Cl)NNC(=O)[C@H]1CCS(=O)(=O)C1 732307994 PRGNCGXMKPTAJE-JTQLQIEISA-N 423.900 -0.410 50 20 HBGD COc1ccccc1CC(=O)NNC(=O)[C@H](C)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 744363695 XQGDXCMZBVFSJO-SAHSTKMBSA-N 401.419 -0.064 50 20 HBGD O=C(CN1CCN(S(=O)(=O)Cc2ccon2)CC1)NNC(=O)c1ccccc1 744414915 KEACQOZWSRFXEQ-UHFFFAOYSA-N 407.452 -0.417 50 20 HBGD O=C(CC[S@](=O)c1ccc2c(c1)OCCO2)NNC(=O)[C@@H]1CCS(=O)(=O)C1 746102366 ASRVCYDHGWTESK-QYOLQKOISA-N 416.477 -0.462 50 20 HBGD CC(C)(C)S(=O)(=O)N1CCC(NC(=O)NN[C@]2(C)CCS(=O)(=O)C2)CC1 755899093 KHICPHQBCIRZSR-OAHLLOKOSA-N 410.562 -0.040 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cn(-c2cccc(Cl)c2F)nn1 758043747 JYGVYVWOUDOGOX-ZETCQYMHSA-N 404.811 -0.242 50 20 HBGD O=C(CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NNc1nccc(N2CCOCC2)n1 762853054 PRSVIWWYRRGPAQ-CZPYZCIJSA-N 416.438 -0.691 50 20 HBGD CS(=O)(=O)N1CCN(CC(=O)NNC(=O)c2cc(-c3cccs3)[nH]n2)CC1 763165933 RRTDNEYXWXILHL-UHFFFAOYSA-N 412.497 -0.524 50 20 HBGD COc1ncc(NC(=O)C(=O)NNC(=O)Cc2c[nH]c3ccccc23)cc1C(N)=O 763860332 DOIWKEHFUXONKQ-UHFFFAOYSA-N 410.390 -0.001 50 20 HBGD COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)CC2CC2)cc1 764143455 QUXAPDNVQREZJA-LLVKDONJSA-N 412.468 -0.114 50 20 HBGD CNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)c2scnc2C)c2ccccc2O1 764244884 KOXKPGTYOHZQFA-LBPRGKRZSA-N 403.420 -0.247 50 20 HBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 771964085 SSLSYPWQHYSCOX-ZDUSSCGKSA-N 402.407 -0.453 50 20 HBGD O=C(COC(=O)c1cnc2[nH]c(O)nc2c1)NNC(=O)[C@H]1COc2ccccc2O1 808637606 FJEFZMBYVJSQNJ-CYBMUJFWSA-N 413.346 -0.192 50 20 HBGD O=C(CNC(=O)c1c[nH]c2ccccc2c1=O)NNC(=O)[C@@H]1CCc2nncn2C1 816871294 FQXJOQKTMFVPFN-LLVKDONJSA-N 409.406 -0.741 50 20 HBGD C[C@H](NC(=O)c1ccoc1)C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 917317801 OAVNSLBACWTGIN-XHDPSFHLSA-N 417.374 -0.072 50 20 HBGD CNS(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 1115816879 KMIAIVIQJVTOKM-MRVPVSSYSA-N 409.873 -0.556 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)C1CCOCC1)CCO2 1779030634 FCMIWBSAAFRXGD-FQEVSTJZSA-N 417.466 -0.445 50 20 HBGD Cc1cc(CC(=O)N2CC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)n[nH]1 1779163490 PXALATOVVJVVJW-IBGZPJMESA-N 406.487 -0.536 50 20 HBGD CN[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1)C(=O)O 1781331455 QNCZKQQZMWSBTJ-GLXFQSAKSA-N 410.240 -0.431 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ncn(C)n1)C2 1782209556 ZJFSRMBKWBTIJH-AUUYWEPGSA-N 421.502 -0.684 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cccnc1 1785943847 CGWVVWCHJJYDKR-WDSOQIARSA-N 409.251 -0.332 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)[C@@H](O)CCl 1792981424 ZDSVHYREXNQNCK-OPAMUIHESA-N 403.863 -0.295 50 20 HBGD CCc1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)co1 1798219868 UOKKDOCLQVZWOI-ZSBFGKGUSA-N 413.239 -0.566 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C\C(=O)NC1CC1 1798300568 XWZGPEWNKCEKLB-KFHOSZCASA-N 405.499 -0.168 50 20 HBGD C[C@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(C)(=O)=O)C2 1799275278 QZPNLGRUYBHQSN-QPPBUOOMSA-N 401.312 -0.143 50 20 HBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1800980971 IVQGRTZMPVTYAV-ZWUHOBOKSA-N 404.895 -0.797 50 20 HBGD CC(C)N(C)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1801549382 BABOXWPYRNACEU-ZSBFGKGUSA-N 418.498 -0.772 50 20 HBGD O=C1NC[C@@H](C(=O)N2CCC3(CCCN(C(=O)c4ccc(B(O)O)cc4)C3)CC2)O1 1809968693 AGMDZQFCWVZNBI-INIZCTEOSA-N 415.255 -0.680 50 20 HBGD CN1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)C1 1817479462 NESKSHRKSWJMCK-KRWDZBQOSA-N 411.271 -0.043 50 20 HBGD Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cn1 1830724766 BUVRZADMYSVDAW-APWZRJJASA-N 411.886 -0.011 50 20 HBGD O=C(CCN1CCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830739164 YKMWNMIXHGYTOO-QAPCUYQASA-N 403.907 -0.472 50 20 HBGD CN(C)CC(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1834462118 BFCKKPLFXRPXHK-UHFFFAOYSA-N 416.331 -0.887 50 20 HBGD O=C(c1cc(O)n[nH]1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1835857343 XLKIJDVHPTUFAJ-FZMZJTMJSA-N 421.223 -0.124 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)N(C)C)C2)C1 1839141322 DXNMHYZYWHLWBV-GUYCJALGSA-N 404.895 -0.269 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C3CC3)C2)C1 1840182242 AJZWUDSMGATEFI-CYXJOQHWSA-N 408.499 -0.218 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2cc3n(n2)CCC3)C1 1844109396 BMULRNPMTRENOP-UHFFFAOYSA-N 409.450 -0.041 50 20 HBGD CN1N=C(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cnccc2C(=O)NN)CCC1=O 1848044923 ZATZKRLOISTBHO-GJZGRUSLSA-N 413.438 -0.891 50 20 HBGD CN(CC(=O)NNC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1)S(C)(=O)=O 734826150 ZAULXXKCPULNBK-UHFFFAOYSA-N 407.493 -0.392 50 20 HBGD CCCn1nc(C(=O)NNC(=O)c2cn(C)c(=O)n(C)c2=O)c2ccccc2c1=O 734990539 XABJGSJCGFFQGA-UHFFFAOYSA-N 412.406 -0.721 50 20 HBGD CCc1sc(C(=O)NNC(=O)CN2CCC[C@H](CNS(N)(=O)=O)C2)cc1C 736310193 NAFRIMZQTZVYBR-GFCCVEGCSA-N 417.557 -0.115 50 20 HBGD C[C@H](CNC(=O)NNC(=O)C1CCN(c2ncccn2)CC1)CN1CCOCC1 739060018 WCDSVYLLSYVSJS-OAHLLOKOSA-N 405.503 -0.008 50 20 HBGD CCOc1ccccc1OCC(=O)NNS(=O)(=O)c1cnn(CC(=O)OC)c1 743249494 DUVWZHLQQHIWQK-UHFFFAOYSA-N 412.424 -0.157 50 20 HBGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1 744562651 PJQLRBRDRHKJQG-LUVWLHFXSA-N 422.397 -0.330 50 20 HBGD CNS(=O)(=O)[C@@H]1CCN(CC(=O)NNC(=O)c2cc(Cl)ccc2OC)C1 750191193 NGIOASODNQLHKU-LLVKDONJSA-N 404.876 -0.267 50 20 HBGD COc1ncnc(N(C)C)c1NC(=O)C(=O)NNC(=O)[C@@H]1Cc2ccccc2O1 764154003 NUGKPSSMZNGYEJ-LBPRGKRZSA-N 400.395 -0.359 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 764225955 CZQWJSBRJHAZFE-ZCFIWIBFSA-N 408.339 -0.968 50 20 HBGD COc1ccc2cc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)ccc2n1 764227417 NWZBLNGMSSRNTM-VIFPVBQESA-N 409.424 -0.733 50 20 HBGD CN(CC(=O)NNC(=O)C(C)(C)O)S(=O)(=O)c1ccc(Br)cc1 768247961 QMHYCHCNLHNLOF-UHFFFAOYSA-N 408.274 -0.012 50 20 HBGD COc1cc(C(=O)NNC(=O)c2ccc(S(N)(=O)=O)cn2)cc(OC)c1OC 769738929 QBJUIOKKWSJXIE-UHFFFAOYSA-N 410.408 -0.170 50 20 HBGD Cc1ccnc2nc(C(=O)N3CCN(S(=O)(=O)CBr)CC3)nn12 777838790 VRWYWCZEIYEWJS-UHFFFAOYSA-N 403.262 -0.127 50 20 HBGD COc1ncnc(N(C)C)c1NC(=O)C(=O)NNC(=O)Cc1cn2ccccc2n1 785068653 ZEFYDSFGGDEAHM-UHFFFAOYSA-N 412.410 -0.473 50 20 HBGD CN(C)N(C(=O)Cc1ccc(S(=O)(=O)N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 796540100 PQPZTAOOMJEMAP-AWEZNQCLSA-N 403.526 -0.028 50 20 HBGD COC[C@@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1779315487 DEDCVZURYDAOIQ-CZUORRHYSA-N 420.304 -0.248 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)C1 1781097361 BACBYEIRXXJSRK-TXPKVOOTSA-N 416.950 -0.294 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786986559 LDQMRYHLTIZUFC-LLLHUVSDSA-N 424.690 -0.787 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccc(O)cc1 1789593773 IVLAWADXFSMMGC-VDGAXYAQSA-N 424.262 -0.021 50 20 HBGD O=C1C[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](F)Br)C[C@@H]32)CN1 1790859935 MKFSJODJDLWFQQ-CCJOIDDDSA-N 406.252 -0.207 50 20 HBGD COC[C@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](Cl)COC)[C@H]2C1 1791255079 DOLPVLMVVFFTJQ-QMHWVQJVSA-N 419.906 -0.629 50 20 HBGD Cc1nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)c(=O)[nH]c1C 1796188214 BYVYXLXBYWJGQS-BJWYYQGGSA-N 424.266 -0.368 50 20 HBGD CSCC[C@@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796190330 PAMNGSZKQSVTCJ-YYIAUSFCSA-N 406.313 -0.268 50 20 HBGD Cc1nnsc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1796590527 CMPNMJDRAYLVQU-AGGWBTHJSA-N 416.268 -0.957 50 20 HBGD Cc1nccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)n1 1796659674 LSOMFKQEIJLSCH-ZSBFGKGUSA-N 404.471 -0.639 50 20 HBGD O=C(O)C#CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827060147 BRVQWDKGAWIQBY-GOSISDBHSA-N 412.251 -0.312 50 20 HBGD O=C(c1ncc(Cl)cn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830724440 HHJZKRZGNOXGCZ-WBMJQRKESA-N 419.265 -0.200 50 20 HBGD CCOC(=O)N[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](Cl)CC)C2)C1 1837209783 VAPQHFPLRIGWFD-AHIWAGSCSA-N 421.878 -0.475 50 20 HBGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](COC)NC(C)=O)CCO2 1837733858 HYGYFFBKGDHFSB-DAYGRLMNSA-N 419.906 -0.389 50 20 HBGD CC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1839860564 BAQFZPJCHKCDJX-NHYWBVRUSA-N 406.277 -0.638 50 20 HBGD COC(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Br)CCO2 1840037183 WBZFAWZUKMHUSD-NHYWBVRUSA-N 422.276 -0.418 50 20 HBGD COc1ccc(C(=O)NNC(=O)C(=O)NC2CC2)cc1S(=O)(=O)NC1CCCC1 9889273 KYWMJBVXHDEKIK-UHFFFAOYSA-N 424.479 -0.044 50 20 HBGD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=S)NC(C)(C)C 16236418 MMISDZPPXZVBLY-UHFFFAOYSA-N 403.530 -0.047 50 20 HBGD O=C(CN1CCN(C(=O)CN2CCCC2)CC1)NNC(=O)c1ccc([N+](=O)[O-])cc1 728575838 JUOMLFSMIWSNOZ-UHFFFAOYSA-N 418.454 -0.404 50 20 HBGD O=C(COCc1ccccc1)NNC(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 738497244 POFWWDLFSQZSKN-AWEZNQCLSA-N 412.468 -0.773 50 20 HBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1C 745977883 DSGHQQUOMHSDSB-SNVBAGLBSA-N 405.454 -0.539 50 20 HBGD O=C(NNC(=O)N1CCOCC1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 745992944 OLOJSDBALYGUAU-UHFFFAOYSA-N 416.431 -0.467 50 20 HBGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1cc([N+](=O)[O-])ccc1O 758097335 BJUWPURBFFPVFJ-UHFFFAOYSA-N 408.396 -0.275 50 20 HBGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)N[C@@H]2CCCS(=O)(=O)C2)nc1 758664620 VKMGHABSQSXFCF-LLVKDONJSA-N 405.502 -0.028 50 20 HBGD C[C@@H](CNC(=O)C(=O)NNC(=O)c1ccccc1Br)S(N)(=O)=O 763484260 ZCNCFQQGBWEKAO-ZETCQYMHSA-N 407.246 -0.997 50 20 HBGD CCCC[C@@H](NC(N)=O)C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765731829 CJZQQZKFJSFVDK-MRXNPFEDSA-N 418.498 -0.181 50 20 HBGD CS(=O)(=O)NCCNC(=S)NNC(=O)C(=O)NCc1ccc(Cl)cc1 771543331 TZAOSEDQGJWQBL-UHFFFAOYSA-N 407.905 -0.999 50 20 HBGD COCCCS(=O)(=O)NCC(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772193688 YWSPDNSBIHXRBL-UHFFFAOYSA-N 420.875 -0.941 50 20 HBGD O=C(NCc1ccc(Cl)cc1)C(=O)NNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 772898380 QIZGHMVSKJCHKS-NSHDSACASA-N 404.814 -0.120 50 20 HBGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 815473097 CMWMYNQRZWSOAD-GASCZTMLSA-N 410.386 -0.186 50 20 HBGD CN1CCN(C(=O)c2ccc(NC(=O)C(=O)NNC(=O)[C@H]3CCCO3)cc2)CC1 815779804 WONBTAFKGBMLLU-OAHLLOKOSA-N 403.439 -0.661 50 20 HBGD Cn1c(=O)c2cc(C(=O)NNC(=O)Cn3cnc4ccccc43)n(C)c2n(C)c1=O 919690338 REAIDIYVPIQEIU-UHFFFAOYSA-N 409.406 -0.613 50 20 HBGD C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919885166 KPJQTZWDIOVLTE-CABZTGNLSA-N 402.860 -0.024 50 20 HBGD C[C@]1(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)CCCN1 1779032819 WPIFUTJWCUQZCT-WOJBJXKFSA-N 416.482 -0.729 50 20 HBGD CN1CCN(C2(C(=O)N3CC[C@]4(CN(C(=O)[C@@H](O)CCl)CCO4)C3)CC2)CC1 1781106365 QAINKRXQCGBTMC-YJBOKZPZSA-N 414.934 -0.804 50 20 HBGD C[C@@H](Cn1cncn1)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783934663 KDIAFKYVZDHBQI-HNAYVOBHSA-N 421.502 -0.883 50 20 HBGD CSCC[C@@H](O)C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1783974010 QULCFIYFYCKLEU-KDOFPFPSSA-N 416.544 -0.697 50 20 HBGD C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1)n1cnnn1 1784596665 CAYYLSYYAKAGEF-BREBYQMCSA-N 405.228 -0.246 50 20 HBGD CC(C)(C)OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1784943268 SHDJMRZLDOOAIL-SZMVWBNQSA-N 418.299 -0.225 50 20 HBGD O=C(CSc1nc[nH]n1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1791555400 YHTLUEZNMGMYGU-BJDJZHNGSA-N 403.892 -0.524 50 20 HBGD CC[C@H](NC(C)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796189697 POTQFRPAKYUQJA-MHORFTMASA-N 401.272 -0.467 50 20 HBGD C[C@H](Br)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(C)C(=O)C(=O)O 1801331430 CZSOBLFNKGQPNG-MMWGEVLESA-N 404.261 -0.049 50 20 HBGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)C1CC(O)C1 1803042748 DWNLKDMLCWHABN-CLPROHDKSA-N 423.278 -0.148 50 20 HBGD COC(OC)C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815335750 NYFHBXUHCADGJV-LBPRGKRZSA-N 419.268 -0.332 50 20 HBGD CC[C@H](O)C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815350606 ZTGVMWUGCWFXHP-JSGCOSHPSA-N 403.269 -0.180 50 20 HBGD O=C1CN(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H](O)CCl)CC2)C(=O)N1 1824966995 DHQHDIKJZAPGHS-KGLIPLIRSA-N 414.890 -0.242 50 20 HBGD O=C(c1ccc(=O)oc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830725425 OMOXFINBTSTDDN-CXAGYDPISA-N 400.815 -0.691 50 20 HBGD O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731689 NXPKLKGAGHVAMQ-OYABHWKLSA-N 416.906 -0.486 50 20 HBGD O=C(C1=CCCC1)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1834678989 WIULYKCPRNNJBW-NRFANRHFSA-N 414.267 -0.453 50 20 HBGD CC(C)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1837355321 CACPADLWSLCCGU-KRWDZBQOSA-N 400.863 -0.416 50 20 HBGD Cn1ccc(=O)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1838531787 GRWQKPJPCYPYKC-WMLDXEAASA-N 401.822 -0.010 50 20 HBGD O=C([C@@H]1CCCS1(=O)=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1839782351 VKLSSWXYIYVNLL-SLEUVZQESA-N 412.867 -0.446 50 20 HBGD O=C(CC1CCC1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840846978 LWEZTCOZCWJRST-NRFANRHFSA-N 416.283 -0.373 50 20 HBGD C[C@@](O)(C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(B(O)O)cc1)C(F)(F)F 1847988714 DHXIPXRJKOMPIM-HEHGZKQESA-N 400.162 -0.505 50 20 HBGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)Cn2cc(S(N)(=O)=O)cn2)cc1 109697997 RNBAOFNDBIKXJF-NSHDSACASA-N 411.440 -0.456 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)N1CCN(C(=O)c2cccc(O)c2)CC1 725870979 DVPQELQFOSDPLM-UHFFFAOYSA-N 415.406 -0.086 50 20 HBGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)c2ccc(F)c(S(N)(=O)=O)c2)cc1 744733790 MHLFICSNFNABIW-UHFFFAOYSA-N 420.378 -0.037 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 755641146 MBSGOXCKPQFELU-MFKMUULPSA-N 413.456 -0.106 50 20 HBGD O=C(NNC(=O)[C@@H]1C[C@]12CCOC2)c1cccc(S(=O)(=O)N2CCOCC2)c1 763365256 OBJFBZXJCYYIOH-YJBOKZPZSA-N 409.464 -0.105 50 20 HBGD NS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 763570562 FXGBFHDSUFKNPZ-AWEZNQCLSA-N 420.403 -0.740 50 20 HBGD NS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)c1 764167442 KBQKJPPRRSLSFA-CQSZACIVSA-N 404.404 -0.576 50 20 HBGD CCOC(=O)c1c(F)cccc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 764229789 CASFZQBHQWKKKN-QMMMGPOBSA-N 418.403 -0.974 50 20 HBGD NC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)COCc2ccccc2)c1 764368033 SIBAQOGULYGAAF-UHFFFAOYSA-N 400.391 -0.147 50 20 HBGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)c1cc(C)[nH]n1 765584056 VVYKMFZYICVMEY-UHFFFAOYSA-N 423.451 -0.178 50 20 HBGD CN1CCO[C@H](C(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)C1 766660500 MTYXPMJQKPAYQJ-KRWDZBQOSA-N 409.918 -0.064 50 20 HBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)cc1 771869454 ZPXGDJVXDOPBCK-WDEREUQCSA-N 401.441 -0.149 50 20 HBGD Cc1cc(S(=O)(=O)NCCNC(=O)NNC(=O)C(=O)N2CCCC2)c(C)s1 772625771 PLUKFVIVDSPCGZ-UHFFFAOYSA-N 417.513 -0.404 50 20 HBGD COc1c(O)nc(O)nc1C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 788619008 HBXLVXGBJDRGIQ-UHFFFAOYSA-N 411.396 -0.779 50 20 HBGD Cc1ccn(-c2ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc2)n1 793027024 USXNMALMDNGDFZ-NSHDSACASA-N 408.440 -0.796 50 20 HBGD CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1 804867738 JZOCNGWRHZZKII-AWEZNQCLSA-N 422.471 -0.628 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cc(F)c(N2CCOCC2)cc1F 806740178 QXMNOAFBGMAAEC-VIFPVBQESA-N 421.426 -0.108 50 20 HBGD COCCN1C(=O)/C(=C\NNC(=O)Cn2c(C)nc3ccccc32)C(=O)NC1=S 920978484 FBZNWNJSWDNCBT-XFXZXTDPSA-N 416.463 -0.261 50 20 HBGD Cn1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1 1779028570 MUSPGNJXOGBKIC-FQEVSTJZSA-N 412.450 -0.219 50 20 HBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](F)Cl)CCO2 1779067256 BAIYLQJTASWGEF-XEZPLFJOSA-N 408.810 -0.155 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1783874845 HPEPRTKTSXRYPL-YJBOKZPZSA-N 410.663 -0.936 50 20 HBGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)O1 1793421056 HIDRIQKRHIKOPA-CSYMLDBXSA-N 404.261 -0.142 50 20 HBGD C[Si](C)(C)OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795740301 PTPAMWIWZGSKKG-JLVBRIDZSA-N 420.347 -0.579 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(CCO)CCO)[C@H](F)Br 1801734427 SLIMHIFVPMTJMD-OPDFLTKYSA-N 410.284 -0.398 50 20 HBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ncn(C)n1)CC2 1826080763 XCNGIOQKYWHAKR-SNVBAGLBSA-N 420.499 -0.130 50 20 HBGD O=C(CCc1cnc[nH]1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830725196 GZODVYHISMQUBG-WMLDXEAASA-N 400.863 -0.602 50 20 HBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2 1835312416 WOVNCTMTTNCWQR-HWWQOWPSSA-N 418.288 -0.495 50 20 HBGD Cc1oncc1C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840183466 GENFMZLBLKRYPR-IBGZPJMESA-N 423.470 -0.574 50 20 HBGD CNc1nsnc1C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1841051762 YZBLAABDFPTJQZ-UHFFFAOYSA-N 416.467 -0.291 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2cccnc2C(N)=O)C1 1842156838 TXCVMYRCPAQSMU-UHFFFAOYSA-N 423.433 -0.690 50 20 HBGD Cc1nn(C)c(C)c1S(=O)(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 731053314 KZQSWSFMWBIJDW-UHFFFAOYSA-N 421.888 -0.039 50 20 HBGD COc1ccc(C(=O)NNC(=O)Cn2cc(S(=O)(=O)N(C)C)cn2)cc1OC 737406909 YZPRZJSBZWUDKA-UHFFFAOYSA-N 411.440 -0.388 50 20 HBGD CC(=O)N1CCN(C(=O)CCNC(=O)NNC(=O)COCc2ccccc2)CC1 738472541 MEQYDBZUOHOVCD-UHFFFAOYSA-N 405.455 -0.386 50 20 HBGD COc1ccccc1OCC(=O)NNC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 742472572 SFSAULRBBOAIFD-KNCCTNLNSA-N 417.418 -0.226 50 20 HBGD C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NNC(=O)C(=O)N2CCCC2)C1=O 748247906 YIOUOJVKICKNDF-SFHVURJKSA-N 405.386 -0.638 50 20 HBGD O=C(NNC(=O)N1CC(=O)N(CC(F)(F)F)C1)c1csc(N2CCOCC2)n1 753030425 GKYNYYKHPXTQPD-UHFFFAOYSA-N 422.389 -0.002 50 20 HBGD C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OCC(=O)NNC(=O)c1ccccc1 756755034 MTMJVIFMWLWECS-NSHDSACASA-N 409.424 -0.909 50 20 HBGD C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NNC(=O)C(=O)Nc1ccccn1)C2=O 758838109 BCJDIIPMJSAYKB-ZMZPIMSZSA-N 402.411 -0.332 50 20 HBGD CC(C)NS(=O)(=O)NCCNC(=O)NNC(=O)[C@@H](C)Oc1ccccc1F 759572616 KBHHXWDRBUREAF-LLVKDONJSA-N 405.452 -0.244 50 20 HBGD Cn1ccc(N2CCC[C@H](NC(=O)NNc3nc(O)c4cnn(C)c4n3)C2=O)n1 770399358 GGPHPWKGWMEQPY-JTQLQIEISA-N 400.403 -0.376 50 20 HBGD CN1CCN(C(=O)NNC(=O)c2ccc(S(=O)(=O)CC(=O)N(C)C)cc2)CC1 788165831 HKAZHUQSQNUGAE-UHFFFAOYSA-N 411.484 -0.850 50 20 HBGD CN(C)N(C(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)[C@H]1CCS(=O)(=O)C1 792855459 RYBCYTPMQJNSPP-LRDDRELGSA-N 416.500 -0.906 50 20 HBGD CC(=NNC(=O)C[C@@H](C(=O)NN=C(C)c1cn[nH]c1)N1CCOCC1)c1cn[nH]c1 794849751 GCXHZRZDULATHS-INIZCTEOSA-N 415.458 -0.396 50 20 HBGD O=C(CNC(=O)c1cccnc1)NNC(=O)CNS(=O)(=O)c1cccc(F)c1 810571585 AUXWZQLFPJBKIF-UHFFFAOYSA-N 409.399 -0.924 50 20 HBGD CNS(=O)(=O)c1ccc(C)c(NC(=O)NNC(=O)[C@H]2CCc3nncn3C2)c1 814637157 RKWHMZICVSYRJT-NSHDSACASA-N 407.456 -0.090 50 20 HBGD C[Si](C)(C)OCC(=O)N1CC[C@@]2(CN(C(=O)CNCP(=O)(O)O)CCO2)C1 1779296150 LLPLBXJRRCRNSJ-HNNXBMFYSA-N 423.479 -0.607 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3ccc(F)nc3)C2)C1 1779437679 HVCJNPHBKUPVMR-FQEVSTJZSA-N 413.214 -0.342 50 20 HBGD O=C(CCc1ccc(O)nn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1790563004 OSBOBTRPRVRJCD-MHEUCROKSA-N 412.874 -0.306 50 20 HBGD CCCC(=O)N[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796188819 SBTDKIJCICMIPK-NKGKWGDASA-N 415.299 -0.077 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)[C@H]3CCC(=O)N3)sc2C1 1814410895 WTMYSDIIUJUUIL-CMPLNLGQSA-N 422.511 -0.293 50 20 HBGD O=C(c1cc(O)nc(O)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830722437 BVGRMXBZBIJSKC-SJCJKPOMSA-N 415.830 -0.838 50 20 HBGD CC(=O)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)n[nH]1 1833820534 FRRNFKFCENVHSP-WMLDXEAASA-N 414.846 -0.718 50 20 HBGD NC(=O)[C@@H](N)CCC(=O)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1836716905 WYYLZGQFZUCFEY-LSDHHAIUSA-N 418.922 -0.823 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCOC3=O)C2)C1 1839141918 XTANPYBBUFKHQZ-GUYCJALGSA-N 403.863 -0.088 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1C[C@@H]1F)CCO2 1839772903 WNVSKPOBKOKWFZ-SUNYJGFJSA-N 400.451 -0.826 50 20 HBGD O=C(C1CCC(CO)CC1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013119 LHUHLPTXIZEJTD-UHFFFAOYSA-N 400.284 -0.018 50 20 HBGD N[C@@H](Cc1cscn1)C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1843328941 OEADNIOOPGNTTL-INIZCTEOSA-N 414.296 -0.790 50 20 HBGD CN(C)c1cncc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cccc(B(O)O)c2)c1 1848311800 AUBHIZYEAOHKEJ-OALUTQOASA-N 408.267 -0.043 50 20 HBGD Cn1c(=O)nc(O)c2cc(C(=O)NNC(=O)CNC(=O)c3cccs3)cnc21 725741982 XFAVGCJUNVGCGK-UHFFFAOYSA-N 402.392 -0.713 50 20 HBGD CC(C)NS(=O)(=O)CCNC(=O)NNC(=O)C1CCN(c2ncccn2)CC1 728962062 WRUDPQINIUTUDB-UHFFFAOYSA-N 413.504 -0.649 50 20 HBGD CC[C@@H]1CN(CC(=O)NNC(=O)C2CC2)[C@H](CC)CN1CC(=O)NNC(=O)C1CC1 740878377 BZGOWUQVIHXPLN-HZPDHXFCSA-N 422.530 -0.724 50 20 HBGD COCCNS(=O)(=O)c1c[nH]c(C(=O)NNC(=O)COc2ccc(F)cc2)c1 746095915 IKIOBEVVJLDQLL-UHFFFAOYSA-N 414.415 -0.082 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H](c1cccc(F)c1)N1CCOCC1 758035634 MKNLUYNOGRMVIS-RISCZKNCSA-N 402.448 -0.716 50 20 HBGD COC(=O)c1cn([C@H]2CCCN(C(=O)NNC(=O)CNC(=O)c3ccco3)C2)nn1 762571036 JROVFLPDAOTTCG-NSHDSACASA-N 419.398 -0.535 50 20 HBGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)[C@@H](C)CS(C)(=O)=O)CC2)cc1 765748724 FZRUGFDIQZBBNK-INIZCTEOSA-N 410.540 -0.059 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@H]3CCO[C@@H]3C)CC2)cc1 770788893 ZJEBNFQTSFTZMI-WBVHZDCISA-N 424.523 -0.126 50 20 HBGD CCC(=O)N1CC[C@@H](C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)C1 773219910 AHSBHAUPMUHKHP-IUODEOHRSA-N 405.407 -0.225 50 20 HBGD CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)CC1=O 792855704 SCIWOWAIRCXNIG-ARFHVFGLSA-N 400.545 -0.189 50 20 HBGD CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)NNC(=O)CNC(=O)c1cccs1 799911508 FRWDLHKHVTVKRE-QWRGUYRKSA-N 417.513 -0.474 50 20 HBGD CS(=O)(=O)NC1CC(NC(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)C1 801067566 BNUCALBHZHGULU-UHFFFAOYSA-N 419.485 -0.494 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 801110452 BHMPNNDEYMYTOV-YADOHIMWSA-N 414.418 -0.368 50 20 HBGD Cn1nc(C(=O)NNC(=O)Cc2ccc(S(N)(=O)=O)s2)c2ccccc2c1=O 915190871 QMLGOZJRNOHBFD-UHFFFAOYSA-N 421.460 -0.354 50 20 HBGD C[C@H](CBr)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1783156423 OCIJLNWCESXCLV-XHBSWPGZSA-N 402.289 -0.017 50 20 HBGD CC(=O)C[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1783828559 CLMAMWKAETVONQ-ZUOKHONESA-N 417.466 -0.256 50 20 HBGD O=C(Cc1cccnc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1787096261 HVPIEKGHHUPGED-IHPCNDPISA-N 423.278 -0.403 50 20 HBGD N#Cc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c1 1798859466 XSWDAHCZSUFELW-OPVJXMOQSA-N 419.246 -0.245 50 20 HBGD O=C(Cn1cccc([N+](=O)[O-])c1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Cl)C2 1800282774 UHVBJRNDTQSVOO-RDBQEKCUSA-N 416.793 -0.120 50 20 HBGD C[C@H](NC=O)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1808359619 DJQYIYAVNJVHTO-UCLAIMLFSA-N 424.266 -0.785 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC2(CCCN(C(=O)[C@@H](N)CN)C2)CC1 1810858623 ROJAIUOYHBQZEP-BGHCKBSUSA-N 417.514 -0.362 50 20 HBGD O=C(Cn1ccnn1)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1817651365 COJSPWGJMQFENY-INIZCTEOSA-N 423.242 -0.313 50 20 HBGD CC(=O)O[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1)C(C)C 1837213894 RKDOOFMSCRGVDK-RVKKMQEKSA-N 420.890 -0.370 50 20 HBGD CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 10214383 RXJUXKLZXYXVEC-DGCLKSJQSA-N 417.509 -0.041 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)NCCNS(=O)(=O)c1ccccc1 725870217 DFTWAYBFOQTTSK-UHFFFAOYSA-N 409.424 -0.682 50 20 HBGD O=C(COc1ccc(F)cc1)NNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 729300346 RJILAXURSNUACK-CQSZACIVSA-N 408.430 -0.467 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@@H]2CC(=O)N(C3CC3)C2)cc1 750655239 LGECMQWEBMUVPF-CYBMUJFWSA-N 423.495 -0.291 50 20 HBGD NC(=O)c1cc(CNC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)on1 752685044 RSZRIDZHQLFSOK-UHFFFAOYSA-N 415.454 -0.184 50 20 HBGD C[C@H](CC(=O)NNC(=O)c1cnn(C)c1)NS(=O)(=O)c1cccnc1Cl 760612146 HVLIIXWMORNPEY-SECBINFHSA-N 400.848 -0.013 50 20 HBGD COCCCn1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)n1 763570365 DQOLMVQPNPJPJN-AWEZNQCLSA-N 403.395 -0.155 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(CC(C)(C)C)nn1C 764227757 ROHZOCIKKIRCID-SECBINFHSA-N 402.477 -0.968 50 20 HBGD CON(C)C(=O)[C@H](CCSC)NC(=O)NNC(=O)CNC(=O)c1ccco1 765733621 NYSFAIBOWUHTBC-JTQLQIEISA-N 401.445 -0.519 50 20 HBGD CC(C)(O)C(=O)NNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 768247983 RQQKUGIXDSMUSG-LLVKDONJSA-N 411.436 -0.458 50 20 HBGD CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)O1 774658150 GFIRMUYVCAJMBJ-KGLIPLIRSA-N 402.415 -0.758 50 20 HBGD CCOC(=O)c1cc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)cn1C 784002302 NQCSMDUCCDQHBI-UHFFFAOYSA-N 405.367 -0.689 50 20 HBGD O=C(NNC(=O)[C@@H]1CC(c2c(F)cccc2F)=NO1)N[C@@H]1CCS(=O)(=O)C1 785950639 SDTBKNNVPJQWJQ-PELKAZGASA-N 402.379 -0.025 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 789840207 VFVJRXVTPFHAQE-GFCCVEGCSA-N 413.456 -0.750 50 20 HBGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 794060249 DHUWEVCHZOOEMU-ZDUSSCGKSA-N 400.395 -0.164 50 20 HBGD CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1cccc(-n2ccnn2)c1 807976591 ROKNWGLZEOCWDC-UHFFFAOYSA-N 421.421 -0.445 50 20 HBGD Cn1cc(C(=O)NNC(=O)CNS(=O)(=O)c2cccc(Br)c2)cn1 810417154 FOOSKUOBGBJNKA-UHFFFAOYSA-N 416.257 -0.078 50 20 HBGD CC(C)[C@@H](C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)N1C(=O)c2ccccc2C1=O 920433436 UHLIJZWKURDRDK-FZMZJTMJSA-N 407.448 -0.111 50 20 HBGD CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NNC(=O)C1CC1 1337084408 PWXSXTNRAFOGNK-ZDUSSCGKSA-N 403.482 -0.674 50 20 HBGD Cc1ncoc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984443 HCYVQTISJXECCW-XIRDDKMYSA-N 413.239 -0.430 50 20 HBGD CC(C)O[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1788697375 PIRBXNUQVZFANZ-CBVHJVASSA-N 418.299 -0.227 50 20 HBGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](COC)NC(C)=O)C[C@@H]21 1791255081 DOLPVLMVVFFTJQ-RBZJEDDUSA-N 419.906 -0.629 50 20 HBGD COC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCS(=O)(=O)CC1 1794092523 KWVRUKKLMXMMOG-XGUBFFRZSA-N 421.947 -0.391 50 20 HBGD O=C(Cc1ccc(O)cn1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796192630 NWJBOYSDVMXRCT-BCDXTJNWSA-N 409.251 -0.039 50 20 HBGD CS(=O)(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Br 1799352368 SLRAQYXCDZSPQY-RBLKWDMZSA-N 415.281 -0.299 50 20 HBGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1C 1799374332 WRVQJHCIGRLXIN-HNRZYHPDSA-N 402.289 -0.020 50 20 HBGD O=C(NC[C@H]1CCN(C(=O)[C@@H]2C=CCN2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807377181 ZAKKOOWHLBCHIL-YZGWKJHDSA-N 420.278 -0.391 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)CCC(N)=O)[C@H]1c1cccnc1 1813075176 XQENQIPQEHIZQU-QRWLVFNGSA-N 418.498 -0.274 50 20 HBGD C[C@@H](NC=O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817476836 DNVNFHYEQODYIP-WBMJQRKESA-N 413.243 -0.470 50 20 HBGD O=C(c1nccc2nc[nH]c12)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830729002 ZVZMZXZPHGDRGZ-FZKQIMNGSA-N 423.857 -0.372 50 20 HBGD O=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)CCBr)C3)C2)=NN1 1837360360 QKEXZRMOLHELDN-HNNXBMFYSA-N 417.260 -0.896 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ccc(C(N)=O)cn2)cc1 116372421 SYTJTLKDLKEYKA-UHFFFAOYSA-N 405.436 -0.429 50 20 HBGD CCOc1ccc(C(=O)NCC(=O)NNC(=O)CN2CCCC2=O)cc1OCC 726717491 XUHDDSXDHCCJCJ-UHFFFAOYSA-N 406.439 -0.016 50 20 HBGD Cn1c(CC(=O)NNC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)nc2ccccc21 742473721 GNROGIOVHAOCDV-HLNSBACISA-N 411.418 -0.574 50 20 HBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)CCc2ccncn2)CC1 757660802 GVCKRCVJWUDJRO-UHFFFAOYSA-N 405.484 -0.116 50 20 HBGD O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNc1nccc(N2CCOCC2)n1 762853055 PRSVIWWYRRGPAQ-MPTQWLOMSA-N 416.438 -0.691 50 20 HBGD COCCn1cc(NC(=O)C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])cn1 763803932 PDDAUISONLTTCX-UHFFFAOYSA-N 406.355 -0.397 50 20 HBGD COc1ncc(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1C(N)=O 763864384 CKQFYSOFXNJHDN-SECBINFHSA-N 419.369 -0.118 50 20 HBGD O=C1CN(c2ccc(NC(=O)C(=O)NNC(=O)[C@H]3Cc4ccccc4O3)cc2)CCN1 764163754 LQPWBRHMFLDXDA-QGZVFWFLSA-N 423.429 -0.288 50 20 HBGD CN1CCN(C(=O)NNC(=O)[C@@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)CC1 773655975 AENWESHCMHNGDV-GJZGRUSLSA-N 409.487 -0.043 50 20 HBGD CC1(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)COC1 782194053 LKCQGIJRPQALLY-UHFFFAOYSA-N 411.480 -0.176 50 20 HBGD CN1CCN(S(=O)(=O)N2CCN(C(=O)/C(C#N)=C\c3ccc(O)cc3)CC2)CC1 786928538 SSYIZNULBCVTLP-VKAVYKQESA-N 419.507 -0.064 50 20 HBGD NS(=O)(=O)c1cnn(CCC(=O)NNC(=O)[C@H]2OCC[C@H]2c2ccccc2)c1 790318726 OILLNOONGWSEKF-HOCLYGCPSA-N 407.452 -0.359 50 20 HBGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1ccc(C(=O)N(C)C)cc1 792958975 KMTXWPVRZXVTSK-UHFFFAOYSA-N 418.479 -0.187 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@@H](C)n2cnc(C#N)n2)cc1 798826938 NPFYQUTXVJRVRY-GFCCVEGCSA-N 405.440 -0.513 50 20 HBGD C[C@@H](C=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)NC(=O)OC(C)(C)C 799106422 GWWSPAJLTJSHOS-VIFPVBQESA-N 400.461 -0.414 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(OC(F)F)cc1F 802567550 YFUUGKJTQDOYQP-ZCFIWIBFSA-N 412.346 -0.549 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N 815569443 UHFNVJBBAHSUES-MRVPVSSYSA-N 415.497 -0.059 50 20 HBGD COc1ccc(CC(=O)N2CC[C@H](B(O)O)C2)cc1S(=O)(=O)N1CCOCC1 1118916487 PCOUOPDJKCPUAO-AWEZNQCLSA-N 412.273 -0.666 50 20 HBGD Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NNC(=O)c2cnn(C)c2)CC1 1251914685 KGQAQYCOLIXMMF-UHFFFAOYSA-N 410.456 -0.113 50 20 HBGD Cn1nc(C(=O)NNC(=O)NC[C@H]2COC3(CCOCC3)O2)c2ccccc2c1=O 1324978799 ZLUUIYHXGZBITB-LBPRGKRZSA-N 417.422 -0.200 50 20 HBGD O=C([C@H](O)N1CCOCC1)N1CC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1779097954 UDEZUAYPEOZHSB-CORIIIEPSA-N 424.267 -0.843 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@](C)(O)C(F)(F)F)CCO2 1783933184 DAAZNUIRQQCUMD-HOTGVXAUSA-N 424.420 -0.497 50 20 HBGD C[C@@H]1CC[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)O1 1786979610 DCPSEPFHGKFPGL-VXKGYBDPSA-N 416.283 -0.473 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3C[C@@H]3F)[C@H]2C1 1790733069 GINUQCJVTSWTDV-QSJNVLDBSA-N 405.430 -0.364 50 20 HBGD C[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)N1C[C@H]2C[C@H]2C1 1796191483 QHZKKZOCDUCCEY-PHSKQRLGSA-N 411.311 -0.042 50 20 HBGD C/C(=C/C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN)C(=O)O 1798442580 CMPWHTXRNUNQNF-NAQZKKFPSA-N 401.423 -0.032 50 20 HBGD CN(C)C(=O)C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1806940936 WHYQEBLJKMVXEB-AEFFLSMTSA-N 424.266 -0.831 50 20 HBGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)c1nc[nH]n1 1807865629 FYSWRIFBNADOHP-WBVHZDCISA-N 420.238 -0.487 50 20 HBGD CCOC(=O)N[C@H](O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](O)CCl)CC2 1819458850 XGMVZCPYCYORMN-BZTNIEFMSA-N 420.875 -0.281 50 20 HBGD O=C(O)C#CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1822201023 SWQGGCPZJFRCMP-HNNXBMFYSA-N 410.195 -0.517 50 20 HBGD Cn1ncnc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1833844627 VMKMVTAMYGBXBL-YGRLFVJLSA-N 420.239 -0.424 50 20 HBGD CN(C)c1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)o1 1833896257 RUOKHURELCMPDW-SJKOYZFVSA-N 416.862 -0.590 50 20 HBGD CC(C)(C)OC(=O)NCC(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014855 JIKUFTVUEHIZTC-UHFFFAOYSA-N 417.271 -0.292 50 20 HBGD Cc1cnc2c(C(=O)N3CCCC34CN(C(=O)c3ccc(B(O)O)cc3)C4)cnn2c1 1844057927 KGVGRMUHLCESJR-UHFFFAOYSA-N 419.250 -0.152 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)CN1CCS(=O)(=O)CC1)C2 1846361110 YSDYUCJIZWRETJ-CYBMUJFWSA-N 407.920 -0.826 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1ccc(C(N)=O)cc1)C2 1846386207 NAVFACAXRGUSJJ-UHFFFAOYSA-N 401.467 -0.025 50 20 HBGD CCC(=O)NNC(=O)[C@@H](C)N1CCN(CCNC(=O)c2ccc(OC)cc2)CC1 732204354 UGHSJGJJIJCMTJ-OAHLLOKOSA-N 405.499 -0.012 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CN3CCC(=O)NC3=O)cc2)CC1 732285339 BTUGUJNSZLHWRT-UHFFFAOYSA-N 424.483 -0.992 50 20 HBGD Cn1c(CC(=O)NNC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)nc2ccccc21 742473722 GNROGIOVHAOCDV-OSLDLMBLSA-N 411.418 -0.574 50 20 HBGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)c2ccc(S(N)(=O)=O)s2)c1 744885480 SWUJOFMJZZMAFN-UHFFFAOYSA-N 408.417 -0.115 50 20 HBGD NS(=O)(=O)CCN1CCN(CC(=O)NNC(=O)c2cccc(Cl)c2)CC1 746488468 VBTBZWFRVADZFY-UHFFFAOYSA-N 403.892 -0.993 50 20 HBGD COc1ccc(S(=O)(=O)NCCC(=O)NNc2nccn(C)c2=O)cc1OC 747942006 RRFCSDIUFSEYFC-UHFFFAOYSA-N 411.440 -0.391 50 20 HBGD C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)NNC(=O)CNC(=O)c2ccco2)CC1 755140258 UBTGAVNECPNJKD-AWEZNQCLSA-N 420.470 -0.621 50 20 HBGD CC(C)NC(=O)C(=O)NNC(=O)C[C@@H](C)NS(=O)(=O)c1cccnc1Cl 760305365 PWMLOFGFNXKJFP-SECBINFHSA-N 405.864 -0.536 50 20 HBGD COc1cc(C(=O)NNC(=O)c2ccc(S(N)(=O)=O)nc2)cc(OC)c1OC 762737459 MAPZRIQQABSMCT-UHFFFAOYSA-N 410.408 -0.170 50 20 HBGD CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NNC(=O)COc1ccc(C#N)cc1 763675438 WKLJZDWDGYFSRD-UHFFFAOYSA-N 414.378 -0.367 50 20 HBGD CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NNC(=O)CNC(=O)c2cccnc2)C1 765509634 OTVZVTCANXHTQK-CYBMUJFWSA-N 407.427 -0.405 50 20 HBGD Cn1ncc([N+](=O)[O-])c1C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 766973950 NJIXBGOMHSBFHS-LBPRGKRZSA-N 405.323 -0.528 50 20 HBGD O=C(NNC(=O)N1CCOCC1)c1cccc(C(=O)NNC(=O)N2CCOCC2)c1 775529049 HAEINFZBXIEACC-UHFFFAOYSA-N 420.426 -0.940 50 20 HBGD CCCn1nc(C(=O)NNC(=O)[C@@H](NC(=O)C2CC2)[C@H](C)O)c2ccccc2c1=O 779473010 DVYXFTIHKPXJMR-NHYWBVRUSA-N 415.450 -0.157 50 20 HBGD O=C(COC(=O)[C@@H]1COCCN1CC(F)F)NNC(=O)c1ccc([N+](=O)[O-])cc1 786946689 LUCVKRLCXLSKKQ-LBPRGKRZSA-N 416.337 -0.135 50 20 HBGD CCCc1nnc(SCC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)n1N 813365783 MNEINGSMACHTTH-UHFFFAOYSA-N 416.467 -0.255 50 20 HBGD Cn1cc(N2CC[C@@H](NC(=O)NNC(=O)c3nn(C)c(=O)c4ccccc34)C2)cn1 1116090326 ONKGIIZVBHZJJN-GFCCVEGCSA-N 410.438 -0.110 50 20 HBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C1CCN(C(=O)COc2ccccc2)CC1 1317820567 BENSPHLYGNKPNN-HNNXBMFYSA-N 423.491 -0.114 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccncc3O)C2)C1 1779413734 MCDCFLPINBENOO-LJQANCHMSA-N 405.455 -0.396 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CC[C@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1 1781234294 STECYUIYMXENNB-SJORKVTESA-N 418.277 -0.022 50 20 HBGD Cc1n[nH]c(C)c1CC(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1781433349 VMGQVGNODQHIPC-FQEVSTJZSA-N 420.514 -0.228 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccnn1C)C2 1782210848 RQLLVGRJERITMO-OXQOHEQNSA-N 420.514 -0.079 50 20 HBGD CN(CC(=O)N1CC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1)C(=O)C(=O)O 1782748276 QSWSXYJOVXFWPX-QGZVFWFLSA-N 415.519 -0.789 50 20 HBGD CCC1(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)COC1 1782948118 OQBXNVSMQMHWJO-HXUWFJFHSA-N 402.256 -0.764 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3cccnc3C(N)=O)CCO2)C1 1783874140 ZDXYLXHZASIITG-ACJLOTCBSA-N 410.858 -0.122 50 20 HBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Cl)[C@H]2C1 1787443126 AEHGAMVCLUNWHE-MOLYVOAJSA-N 413.899 -0.172 50 20 HBGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21)n1cnnn1 1791688100 YRZKRBVSTGWZCS-WTPMCQDGSA-N 419.255 -0.096 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)C(C)C 1793075626 VCVGAEMGXKFVLM-WGCSPTNMSA-N 419.482 -0.273 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccoc1)C2)c1cccc(B(O)O)c1 1795740719 JJOGKOZSYDSESK-XEMDLRDOSA-N 412.251 -0.205 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1cn2cccnc2n1 1796188942 DGLHMQHEPPEQQE-BJWYYQGGSA-N 419.250 -0.025 50 20 HBGD CC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)CC)C2 1799263651 RRFAFTGESVSJJE-QNSTZXKLSA-N 409.936 -0.079 50 20 HBGD CS(=O)(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2 1801531474 NJRQXSFBHQXXBU-QCMRWSPLSA-N 415.281 -0.299 50 20 HBGD Cn1cc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnccc2C(=O)NN)C3)cn1 1803064885 APZYZOXCPHOFQS-QDMKHBRRSA-N 411.466 -0.087 50 20 HBGD O=C(c1cccc(F)n1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830732037 TVGYAXKLEJTVCX-DYVFJYSZSA-N 401.822 -0.110 50 20 HBGD O=C(c1ccc2nn[nH]c2c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830736403 SIMWEJQYCMBMNP-MAUKXSAKSA-N 423.857 -0.372 50 20 HBGD CCc1[nH]nc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1F 1833732734 DZGDKJNSSAFBTO-SJCJKPOMSA-N 418.853 -0.219 50 20 HBGD CCC(=O)C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1836527611 LYLOWVWBYAMVLN-UHFFFAOYSA-N 409.531 -0.090 50 20 HBGD CC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1839860305 NQVJFVUCSDWDAG-TZMCWYRMSA-N 410.240 -0.731 50 20 HBGD CC1=C(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)CCO1 1840184167 WJLNKVMAEVTDEU-HXUWFJFHSA-N 424.498 -0.490 50 20 HBGD CC[S@](=O)CCC(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1844173350 BSYVCZCRENMNKX-NDEPHWFRSA-N 407.496 -0.339 50 20 HBGD Cc1ccc(C)c(OCC(=O)NNC(=O)NCCS(=O)(=O)N2CCOCC2)c1 52303202 YEBCPFIXNSVGRC-UHFFFAOYSA-N 414.484 -0.325 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Cn1c(S)nnc1-c1cccs1 729275168 MNPHIONDZWTHPN-SSDOTTSWSA-N 404.499 -0.620 50 20 HBGD NC(=O)CS(=O)(=O)c1ccc(C(=O)NNC(=O)CNC(=O)c2cccs2)cc1 742613232 QIQZWNZSNSQGNM-UHFFFAOYSA-N 424.460 -0.802 50 20 HBGD COc1cccc(NCC(=O)NNC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)c1 743295355 JZQCKZCBPJGWCU-BQGCOEIASA-N 402.407 -0.583 50 20 HBGD O=C(NNC(=O)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1)C(=O)N1CCCC1 748240530 GOYOOXJOCBHTMH-UONOGXRCSA-N 408.455 -0.262 50 20 HBGD Cc1cccc(O[C@H](C)C(=O)NNC(=O)CN2CCN(S(C)(=O)=O)CC2)c1C 759623354 YLTFZXNSDCHKFX-OAHLLOKOSA-N 412.512 -0.205 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2cc3c(cc2O)OCO3)n(C)c1=O 764812739 QKBMSERAUQENMP-UHFFFAOYSA-N 400.351 -0.982 50 20 HBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)NCc1ncccc1S(C)(=O)=O 787888019 QYUCPUHYXXKIPF-UHFFFAOYSA-N 401.445 -0.160 50 20 HBGD Cc1ccc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(F)c1Cl 788762412 QTUYQUAGZHFALE-UHFFFAOYSA-N 422.804 -0.004 50 20 HBGD COC(=O)Cn1ncc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1C 796992453 SBIWCPRTIWDYQZ-CQSZACIVSA-N 417.378 -0.710 50 20 HBGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 915077610 YMRIDWBJNGNTSH-DPDCMNJDSA-N 417.443 -0.342 50 20 HBGD CC(C)NC(=O)CN1CCN(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 917173269 AFITXYSXSAUMMT-UHFFFAOYSA-N 406.443 -0.502 50 20 HBGD COc1ccc(S(=O)(=O)NNC(=O)c2cccn2C)cc1[C@]1(C)NC(=O)NC1=O 917729293 KEPCVAZUYWANJG-KRWDZBQOSA-N 421.435 -0.288 50 20 HBGD COc1cc(C(=O)N2CC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)ccn1 1779561748 GOFMYYOUGWOYBF-HXUWFJFHSA-N 419.482 -0.093 50 20 HBGD Nc1n[nH]c(CCC(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](F)Br)C3)C2)n1 1781332096 TWOJUTPTLAIRRZ-RISCZKNCSA-N 419.255 -0.160 50 20 HBGD CC(=O)C[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1791221896 AUWCIQBDJVEIKJ-IWCQGFGOSA-N 410.515 -0.046 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21)C(Cl)Cl 1791292304 AKGYOWGJDUGABJ-GUBZILKMSA-N 407.254 -0.678 50 20 HBGD O=C1NCCCn2nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@H](F)Cl)cc21 1796366157 HYTNXIMZJHYERV-DJBIQUGXSA-N 413.837 -0.246 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[C@H]1CCCSC1 1802051795 MKCZVFUIVUBXOH-CUSZFKRNSA-N 418.324 -0.287 50 20 HBGD CC(=O)NCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1812617480 OFJIQPZWSGYKGA-PXNSSMCTSA-N 424.266 -0.783 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812881986 GDJXETSZABVJJB-MGPUTAFESA-N 415.450 -0.452 50 20 HBGD NC(=O)[C@H](N)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](O)CCl)n[nH]1 1814869814 CAYMQXOYYYTFAG-YUSALJHKSA-N 400.867 -0.406 50 20 HBGD Cn1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)n1 1830722883 IJAWZUJWYXCOPJ-YOEHRIQHSA-N 400.863 -0.981 50 20 HBGD Cn1ncnc1C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837712497 VRRJVWSTDBZQND-QGZVFWFLSA-N 411.535 -0.263 50 20 HBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NC=O)CCO2 1839166693 QIVBEEMGPDIDIC-YWPYICTPSA-N 406.277 -0.639 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)ncn3)C2)C1 1840150445 KWHYWWUJFNQAGU-SJCJKPOMSA-N 414.846 -0.494 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CSC(=N)N)C2)C1 1840151611 ILMGWUOKPMRSHT-NHYWBVRUSA-N 408.908 -0.677 50 20 HBGD CN(CC(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1)[C@H]1CCS(=O)(=O)C1 728210082 QOXVPWGXFLAGNR-AWEZNQCLSA-N 416.525 -0.311 50 20 HBGD COc1cc(OC)c(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)c(OC)c1 730568766 AKRITUSDZIFVLY-UHFFFAOYSA-N 423.451 -0.253 50 20 HBGD Cn1c(O)ncc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1=O 751532443 BZKZSAFYJHAEGJ-UHFFFAOYSA-N 421.435 -0.655 50 20 HBGD O=C(CSc1ccccc1O)NNC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 764045902 BYHPVWVNDFXRQC-XYPYXGAPSA-N 405.432 -0.206 50 20 HBGD C[C@H](CNC(=O)C(=O)NNC(=O)c1cccc(Br)c1)S(N)(=O)=O 764059799 ZPSNOKXOGPHAMO-SSDOTTSWSA-N 407.246 -0.997 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(Oc2ccccn2)cc1 764229957 GJNIXEWQMHXLKN-LLVKDONJSA-N 421.435 -0.103 50 20 HBGD C[C@@H](O)c1cn(CC(=O)NN(C)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nn1 783704607 PSNKRMLHROOCMZ-GFCCVEGCSA-N 411.463 -0.033 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@@H]2Cc3ccc(F)cc32)n(C)c1=O 793674470 JWVORPDDTCKCAM-GFCCVEGCSA-N 400.370 -0.940 50 20 HBGD Cc1nc(C(C)C)oc1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 794391394 BJNLQYBEYVAUHV-UHFFFAOYSA-N 403.399 -0.685 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccnc3c2nnn3C)c1 801103435 FIKJEPIFUHXSBR-UHFFFAOYSA-N 403.424 -0.312 50 20 HBGD CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NNc1ncncc1F 815764393 GISBGNIGJIBPSG-UHFFFAOYSA-N 408.415 -0.102 50 20 HBGD Cn1c(=O)ccn(CC(=O)NNC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1=O 816509753 BANFBQSIIZPDTG-LBPRGKRZSA-N 409.443 -0.659 50 20 HBGD CCOc1ccc(S(=O)(=O)NCC(=O)N2CC[C@H](B(O)O)C2)cc1OCC 864234847 XEZADGDWZBRNRT-LBPRGKRZSA-N 400.262 -0.162 50 20 HBGD O=C(NCCN1C(=O)c2ccccc2C1=O)NNC(=O)c1ccc(-n2cnnn2)cc1 919788607 QEVFUDFONXUBTC-UHFFFAOYSA-N 420.389 -0.098 50 20 HBGD O=C(CO[C@@H]1CCOC1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1319358998 CFUHMTDPWVPQPP-CQSZACIVSA-N 413.452 -0.726 50 20 HBGD COCCn1cc(S(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cn1 1319474281 NEGSFRXPVFIWCB-UHFFFAOYSA-N 409.472 -0.454 50 20 HBGD C[C@@H](OC1CCCCC1)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 1323991247 JVCQEAWTHPYGQN-LLVKDONJSA-N 406.443 -0.681 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)CCN3CCN(C)CC3)CCO2)C1 1783875941 KLARPIOPFDRHGN-QFBILLFUSA-N 416.950 -0.292 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1ccccn1)CCO2 1783934016 RYMJYVMRUYYWSE-HXUWFJFHSA-N 403.483 -0.173 50 20 HBGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCNC(=O)C3)C[C@@H]21 1791257692 OOYWXIOLAKHINM-YTFOTSKYSA-N 401.891 -0.254 50 20 HBGD CN(C)C(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2 1792628274 OPMLRZVJGBPQOI-RBLKWDMZSA-N 409.256 -0.462 50 20 HBGD CNC(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1831279537 KXZCXEZOOUGFAX-ABAIWWIYSA-N 406.277 -0.638 50 20 HBGD Cn1ncnc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834819614 WTBIYWGWHIMJDH-OAHLLOKOSA-N 416.276 -0.330 50 20 HBGD CCC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1835632068 CFSLPRBINUNLBD-KDOFPFPSSA-N 415.922 -0.310 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc[nH]3)C2)C1 1840185827 UAPJUBFCUJZZMI-LJQANCHMSA-N 407.471 -0.542 50 20 HBGD O=C(c1cnn2cccnc12)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011601 UQUFCROLNMJKHC-UHFFFAOYSA-N 405.223 -0.460 50 20 HBGD C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844263252 KINZVGWJCKAJDL-PLNGDYQASA-N 412.450 -0.640 50 20 HBGD CC[C@H](Br)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@@H]1NC(=O)NC1=O 1848132735 RYNMOUDIMPUFDS-NAKRPEOUSA-N 401.261 -0.040 50 20 HBGD COc1cc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)ccc1OCC(N)=O 732260641 XAHYEAWOYOAJQV-STQMWFEESA-N 408.455 -0.180 50 20 HBGD NS(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)CNC(=O)c2cccnc2)c1 763818267 DPPAYYAKYYIQMU-UHFFFAOYSA-N 411.827 -0.427 50 20 HBGD O=C(CC1CC1)NNC(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 764143347 HQNAQJHHEYUVPI-MRXNPFEDSA-N 416.434 -0.413 50 20 HBGD COCCOc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c(C)c1 764230677 JDHSVLYOYJVQIS-LLVKDONJSA-N 416.456 -0.956 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F 764232692 SVXRVUDRJIVJCC-SSDOTTSWSA-N 419.366 -0.817 50 20 HBGD COCCC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C1CCOCC1 764908077 IQOMIALJXMUDGA-UHFFFAOYSA-N 406.443 -0.631 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2ccc(F)cn2)cc1 773525936 ZZEAWDPMOCRLRB-UHFFFAOYSA-N 423.426 -0.064 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NN(C)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 776204372 CNFHRIRLVDHIQH-NSHDSACASA-N 407.493 -0.440 50 20 HBGD CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)COc1ccc(F)cc1 786414308 KZMOFPIJPKKJMK-UHFFFAOYSA-N 407.358 -0.099 50 20 HBGD Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNC(=O)N3CCN(C)CC3)C2=O)cc1 788166392 LVVCDAJMQXHPEZ-LJQANCHMSA-N 402.455 -0.250 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(Oc2cccnc2)cc1 808935492 ZAUMXZCTOYJCAY-LLVKDONJSA-N 421.435 -0.103 50 20 HBGD COC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 815564363 GRWQEHQDOCPCMP-GFCCVEGCSA-N 403.351 -0.867 50 20 HBGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNC(=O)N2CCN(C)CC2)[C@@H](C)O)cc1 819720727 FRBRLCVZGVYZCD-UKRRQHHQSA-N 413.500 -0.989 50 20 HBGD COc1cc(C(=O)NNC(=O)NCCC(=O)N2CCN(C)CC2)cc(OC)c1OC 916433383 MJMKWNZCYBBETH-UHFFFAOYSA-N 423.470 -0.180 50 20 HBGD O=C(CCNS(=O)(=O)c1cccc(Cl)c1)NNC(=O)CN1CCCC1=O 920827178 VKZYGKMIIBCGDJ-UHFFFAOYSA-N 402.860 -0.222 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCC(=O)N1)C2 1782210907 YNAVWLPTSQNNHQ-STXHMFSFSA-N 423.514 -0.848 50 20 HBGD CCN1CCC(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)CC1 1783939897 NAAHITVPBNPENR-NRFANRHFSA-N 423.558 -0.079 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4nncn4c3)C[C@@H]21)[C@@H](O)CCl 1784092165 IFZVJVOPQGFOAW-AJNGGQMLSA-N 407.858 -0.078 50 20 HBGD O=C(CNCP(=O)(O)O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Cl)C[C@@H]21 1786791452 UZBMTEAVXVFZOE-QFOLPQNPSA-N 401.759 -0.775 50 20 HBGD CC(C)NCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984299 AORGRCRJUOHHID-WDSOQIARSA-N 417.315 -0.652 50 20 HBGD CN(C)C(=O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1826737451 BDBHIHAXZMQFCL-SFHVURJKSA-N 415.299 -0.312 50 20 HBGD C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830733461 MYHIUQPAIYJRPR-RDTXWAMCSA-N 418.874 -0.448 50 20 HBGD CCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](Cl)COC)C2)C1 1831192325 XNVGKQQLBFTAGK-QWQRMKEZSA-N 419.906 -0.389 50 20 HBGD O=C(c1nc2ccccn2n1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1836392419 MVJYIPLHISEBNL-SCLBCKFNSA-N 423.857 -0.601 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc[n+]([O-])cc3)CCO2)C1 1838340633 SNAQNWZTXNPGFP-QAPCUYQASA-N 413.858 -0.356 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CC(N)=O)C2)C1 1840150641 ODJMMQFTIYAQAK-GDZNZVCISA-N 405.879 -0.792 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnco3)C2)C1 1840182940 XBFCAWHHBKBOPB-GOSISDBHSA-N 409.443 -0.882 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)C13CC(C1)C3)CCO2 1840598069 MBBFZYQOCSITPB-UJWQOHNOSA-N 414.267 -0.764 50 20 HBGD N[C@H](CC(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1)c1cccnc1 1843011163 YDXYKCIESWMOJK-GOSISDBHSA-N 408.267 -0.332 50 20 HBGD O=C(CNC(=O)c1cccs1)NNC(=O)Cn1c(=O)nc(O)c2ccccc21 725902926 XWRMASJZDXCXLK-UHFFFAOYSA-N 401.404 -0.259 50 20 HBGD Cn1c(=O)c2c(ncn2CCC(=O)NNC(=O)Cn2ccc3ccccc32)n(C)c1=O 729450013 NOVRQMCSRNIVBN-UHFFFAOYSA-N 423.433 -0.374 50 20 HBGD O=C(CCc1ccccc1O)NNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 730033817 VAWKABVDAJOGKV-ZIAGYGMSSA-N 409.464 -0.492 50 20 HBGD C[C@@H](C(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1)N1C(=O)NC2(CCCC2)C1=O 732262739 VZEIUAWSNLBZPZ-MCIONIFRSA-N 409.487 -0.114 50 20 HBGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 740812682 VAVZEWJYNQOHET-UHFFFAOYSA-N 420.513 -0.449 50 20 HBGD O=C(Cc1cc[nH]n1)NNC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 755355230 YVJJXLCKNJCGII-UHFFFAOYSA-N 408.440 -0.174 50 20 HBGD CNS(=O)(=O)c1cc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)ccc1C 755515156 KIUSWPJKKNBSRA-JTQLQIEISA-N 404.470 -0.509 50 20 HBGD COCC(=O)N(C)CC(=O)NNC(=O)CN1CCN(Cc2ccc(C)cc2)CC1 759608665 NWCXMWCFCKOSFF-UHFFFAOYSA-N 405.499 -0.635 50 20 HBGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)n1 763880186 BXYVMGLWGAAOAP-UHFFFAOYSA-N 412.410 -0.830 50 20 HBGD COc1cccc(-c2cc(NC(=O)C(=O)NNC(=O)[C@@H]3COCCO3)n(C)n2)c1 764425346 OVFLHCHRCYAQFD-AWEZNQCLSA-N 403.395 -0.403 50 20 HBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 771963848 FUKHPOFNEQHNQS-NSHDSACASA-N 416.456 -0.851 50 20 HBGD N#Cc1ccc(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)cc1 1780696405 VHVFNBPHLPPQKB-JOCHJYFZSA-N 419.246 -0.005 50 20 HBGD Cc1cnn([C@@H](C)C(=O)N2CC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1 1784456317 UJUXSVBXOHYNGK-OXJNMPFZSA-N 420.514 -0.045 50 20 HBGD NC(=O)CC[C@H](N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]2C1 1789922595 MGYCQGXJXBMNHM-XGZQDADWSA-N 423.283 -0.751 50 20 HBGD Cc1nccn1CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791293953 RBOJCZOQAMXZPC-ULQDDVLXSA-N 420.514 -0.456 50 20 HBGD Cc1nnc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)s1 1792975071 INEYCUFGRXXZQT-NWJSVONSSA-N 402.904 -0.032 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccccc1)C2)c1ccc(B(O)O)cc1 1795734389 GEZLSQLKINEZGR-RMFSNUHRSA-N 408.263 -0.188 50 20 HBGD C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1797708199 KGLBDRXROIPYAF-CYGHRXIMSA-N 416.283 -0.857 50 20 HBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(O)nn1)C2 1800979675 ULINIBUDGGBGLJ-IFOZYUSPSA-N 412.874 -0.042 50 20 HBGD NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817475232 LTVVQFIEDOBAQX-OAHLLOKOSA-N 413.243 -0.339 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnnc3O)C2)C1 1840154513 XZYGCYNLBIPYSQ-CXAGYDPISA-N 414.846 -0.494 50 20 HBGD Cc1nc(C(=O)N2CCCC23CN(C(=O)CCC(=O)NN(C)C)C3)c(=O)[nH]c1C 1842183957 KNVJFDYEJLSDOZ-UHFFFAOYSA-N 404.471 -0.423 50 20 HBGD C[C@H](Nc1cnccn1)C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014179 IJIHECSFOXJTBZ-AWEZNQCLSA-N 409.255 -0.526 50 20 HBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)NC2CC2)cc1 16786252 SZZAWHYBOYLLEC-LLVKDONJSA-N 401.466 -0.677 50 20 HBGD COC(=O)N(C)CCCC(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 729777535 ASHHEFNLQZWTLL-CQSZACIVSA-N 409.395 -0.005 50 20 HBGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)c2cc(S(N)(=O)=O)ccc2F)cc1 744558080 BILJDUPGVZTGHR-UHFFFAOYSA-N 420.378 -0.037 50 20 HBGD Cn1c(=O)nc(O)c2nc(CCC(=O)NNC(=O)CCOc3ccccc3)[nH]c21 749223412 JLFUTWBNWORYSR-UHFFFAOYSA-N 400.395 -0.089 50 20 HBGD Cn1cc(C(N)=O)cc1C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 756677220 NDPJDBVRJZVPPI-CQSZACIVSA-N 402.363 -0.732 50 20 HBGD CCc1cnc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)s1 756793238 VSSSDPBJSRMABB-UHFFFAOYSA-N 406.428 -0.695 50 20 HBGD CCOC(=O)NNC(=O)C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1OC 765414420 VUPKXIMFLYZSNM-UHFFFAOYSA-N 400.413 -0.148 50 20 HBGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)C[C@H]3SC(=N)NC3=O)CC2)cc1 766647914 HGDZIBFCZPZCEG-OAHLLOKOSA-N 418.523 -0.184 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cnc3c(c2)nnn3C)c1 780979266 ZZCHVEWEAGPUCO-UHFFFAOYSA-N 403.424 -0.312 50 20 HBGD O=C(NNC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N[C@@H]1CCS(=O)(=O)C1 781949877 NXTWWNZXFPXGLC-RNCFNFMXSA-N 411.396 -0.395 50 20 HBGD NS(=O)(=O)c1ccc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1 912852188 OJOLSLOLYPEXCS-UHFFFAOYSA-N 411.465 -0.298 50 20 HBGD CNC(=O)c1cccc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)n1 1319393822 MMYYRXZONFDDEE-UHFFFAOYSA-N 424.461 -0.340 50 20 HBGD CC(C)(CCl)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1779085940 YDUXGDAGPIGUFL-KSSFIOAISA-N 403.907 -0.268 50 20 HBGD CC(C)O[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1779168314 YHMGBOPSQMJDKX-MGPUTAFESA-N 404.272 -0.377 50 20 HBGD O=C(/C=C\C(=O)NC1CC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2 1779225421 MCCRVLCKYPJVBT-MVOMDFKXSA-N 413.902 -0.065 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)N1CCN(C)CC1)CCO2 1783879862 BIDPPKUAAXRTAB-BXWFABGCSA-N 416.950 -0.294 50 20 HBGD O=C(CN1C(=O)CSC1=S)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1785539148 JSTMKKJBRCDYRS-BMIGLBTASA-N 421.928 -0.724 50 20 HBGD COCCOCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1786641835 HMMXOXDSLJWUOO-JYJNAYRXSA-N 414.503 -0.998 50 20 HBGD CC[C@H](C)[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786982661 CFQGPHVUMBKIMK-SKMQDVENSA-N 418.299 -0.633 50 20 HBGD CN[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CO[Si](C)(C)C)[C@H]2C1)C(=O)O 1788764085 JHVUOLMKLCHHSO-XQLPTFJDSA-N 415.563 -0.120 50 20 HBGD C[C@H](CBr)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN(CCO)CCO)C2 1792993499 LDZVRLMBRMRDCH-APIJFGDWSA-N 420.348 -0.058 50 20 HBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796405282 IPNIKBOXTPXDTL-VLEAKVRGSA-N 401.807 -0.225 50 20 HBGD CC(=O)NCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798442841 JKPUYWCXMSQXMJ-BTTYYORXSA-N 402.455 -0.537 50 20 HBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@](C)(O)CC(=O)O)C2 1800980489 BEMDJIZFYSXZAB-FRJNNAICSA-N 406.863 -0.554 50 20 HBGD NC(=O)CC[C@H](N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](O)CCl)CC1 1824181758 LMUKVRMUYCPEBZ-SOUVJXGZSA-N 402.923 -0.201 50 20 HBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnnn1C)CC2 1826080742 VVRFNFBRSSDIBE-JTQLQIEISA-N 420.499 -0.130 50 20 HBGD COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)nn1C 1830731239 IOMJOBOTYLFODL-CXAGYDPISA-N 416.862 -0.902 50 20 HBGD CC(=O)NCCC(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833312458 VQHCJJYEMFPHKS-INIZCTEOSA-N 402.923 -0.316 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CSC(=N)N)CCO2 1835512478 MWEBNFYQMAEWBP-INIZCTEOSA-N 418.592 -0.079 50 20 HBGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1)N1CCN(C)CC1 1839102978 ZZSGGXDNPZHIOJ-RKVPGOIHSA-N 420.913 -0.387 50 20 HBGD CS(=O)(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1840551332 VXZKZEYTLYGVIW-CQSZACIVSA-N 417.311 -0.319 50 20 HBGD O=C(c1ccnc(Cl)n1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011523 MCSJDESALRBMLI-UHFFFAOYSA-N 400.631 -0.059 50 20 HBGD CN(C)N(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCS(=O)(=O)C1 728180224 RWLOWASUDDBWBB-LLVKDONJSA-N 400.482 -0.783 50 20 HBGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)Cn1nnc2ccccc2c1=O 734241478 GJZZGSDBLGHDTO-UHFFFAOYSA-N 405.415 -0.353 50 20 HBGD O=C(CNC(=O)c1cccs1)NNC(=O)Cn1c(O)nc2ccccc2c1=O 751208522 FYEAEQBRUIYAEF-UHFFFAOYSA-N 401.404 -0.259 50 20 HBGD COc1ccc([C@H](CC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)NC(C)=O)cc1 758035008 JEQDGPRFFOZHND-YGRLFVJLSA-N 400.457 -0.652 50 20 HBGD CS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)cn1 763680203 DGHMBADEKMJWAX-UHFFFAOYSA-N 417.403 -0.478 50 20 HBGD CN1C(=O)c2ccc(NC(=O)C(=O)NNC(=O)COc3ccccc3O)cc2C1=O 764276889 DSFWLBFSZIDPPH-UHFFFAOYSA-N 412.358 -0.217 50 20 HBGD COC(=O)CCCOc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)cc1 764423483 ALRXLVVWNIRCMW-CQSZACIVSA-N 409.395 -0.480 50 20 HBGD CC(C)(C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1)S(C)(=O)=O 766642307 LUYMOEPATVFHOK-UHFFFAOYSA-N 410.496 -0.585 50 20 HBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 772186758 QBVZJUJEJRMGMH-CABZTGNLSA-N 421.859 -0.532 50 20 HBGD NC(=O)[C@H]1CCC[C@@H](C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)C1 787125258 GUHNWDRPHDIJIP-DLBZAZTESA-N 415.494 -0.117 50 20 HBGD CCOc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)N2CCN(C)CC2)cc1 788169317 MSZSRYBKLWMFBH-UHFFFAOYSA-N 413.500 -0.258 50 20 HBGD CC[C@H](C)CC[C@@H](O)CC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 793674554 KWKYDBIHXLGPEH-NWDGAFQWSA-N 408.459 -0.842 50 20 HBGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)CCC[C@]1(C)NC(=O)NC1=O 801435633 PAMFPKUHTOVPNO-IBGZPJMESA-N 404.423 -0.003 50 20 HBGD CCn1c(SCC(=O)NN=C2C(=O)NC(=O)NC2=O)nnc1-c1ccccc1 814225335 SULDNSGEWGTLNK-UHFFFAOYSA-N 401.408 -0.105 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CN2C(=O)NC(C)(C)C2=O)c1 873799317 YOGKLKSIIOWAEM-UHFFFAOYSA-N 411.440 -0.972 50 20 HBGD Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1C 914878637 NJCWECXNRVAHOH-CABCVRRESA-N 423.491 -0.135 50 20 HBGD Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 920745638 NOGFXUFUEBGAID-IAOKNECISA-N 423.430 -0.364 50 20 HBGD Cn1nc(C(=O)NNC(=O)[C@@H]2CC23CCS(=O)(=O)CC3)c2ccccc2c1=O 1117335800 ZCVCCZMPCIHRQL-ZDUSSCGKSA-N 404.448 -0.091 50 20 HBGD CNC(=O)NNC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 1325218621 SSQXLVABLSPFTQ-UHFFFAOYSA-N 401.420 -0.748 50 20 HBGD CC(=O)C[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1783828556 CLMAMWKAETVONQ-XCLFUZPHSA-N 417.466 -0.256 50 20 HBGD CC(C)OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786982270 VVZJOEOFVDYRAE-SZMVWBNQSA-N 404.272 -0.615 50 20 HBGD CC(=O)NCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817476005 ZJKPHORBCFAJES-INIZCTEOSA-N 413.243 -0.469 50 20 HBGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](COC)NC(C)=O)CCO2 1837733861 HYGYFFBKGDHFSB-RLFYNMQTSA-N 419.906 -0.389 50 20 HBGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1840030663 RUEHKTIXTZUAOW-ZETOZRRWSA-N 420.260 -0.665 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NC(C)=O)C2)C1 1840150553 NEBQVVSCCPFABI-KSSFIOAISA-N 419.906 -0.389 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CCCC12CN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2 1845170146 BIFWIPRVDCQQKW-CQSZACIVSA-N 414.253 -0.134 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)[C@H]2CCc3nc[nH]c3C2)C1 1846549633 XFPDOBDVVNCFJO-HNNXBMFYSA-N 408.267 -0.288 50 20 HBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 15639568 SAQCCGKRFYWKPR-LLVKDONJSA-N 412.424 -0.373 50 20 HBGD CS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cn1 763570654 HIPNYADSTWFIQK-ZDUSSCGKSA-N 420.403 -0.589 50 20 HBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)C1CCN(c2ccc3nnnn3n2)CC1 771971639 BQPVZHCMVXKGMS-LBPRGKRZSA-N 418.458 -0.139 50 20 HBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 772159529 JPBBVEPNKKCQPP-DNNYSMPMSA-N 409.439 -0.338 50 20 HBGD Cc1ccc(C(N)=O)cc1NC(=O)C(=O)NNC(=O)CNC(=O)c1cccs1 784004458 GKFWEZDUNBSVTH-UHFFFAOYSA-N 403.420 -0.329 50 20 HBGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1cc(F)cc(C(=O)OC)c1F 797007764 RHXLPRGQEAZQSI-MRVPVSSYSA-N 403.338 -0.111 50 20 HBGD CCS(=O)(=O)NCCNC(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12 916516798 RTXYQURZFYKKAY-UHFFFAOYSA-N 424.483 -0.139 50 20 HBGD Cc1c(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cnn1CCO[C@H]1CCCCO1 1253694813 TVVRDSMBFYBXCN-HIFRSBDPSA-N 414.484 -0.070 50 20 HBGD O=C(CNC(=O)c1cccnc1)NNC(=O)[C@@H]1CCS(=O)(=O)c2ccccc21 1260177320 PDSODRVNZCHPGR-CQSZACIVSA-N 402.432 -0.080 50 20 HBGD CS(=O)(=O)c1ccccc1NNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 1319198998 LDSFENZMAPROMI-NWDGAFQWSA-N 415.493 -0.431 50 20 HBGD Nc1n[nH]c(CCC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)n1 1778855201 QGPRYFICHNBGJZ-BXUZGUMPSA-N 419.255 -0.160 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3ccc(CO)o3)C2)C1 1779548061 ZMQOVWJFZZPNMT-HXUWFJFHSA-N 414.223 -0.791 50 20 HBGD CNC(=S)NCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](Cl)COC)C2)C1 1783877164 GQJRKWMFWGDPEV-MLGOLLRUSA-N 406.936 -0.446 50 20 HBGD C[C@H](CS(C)(=O)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1784513468 DWISBXBPFVBGOK-HTOAHKCRSA-N 410.920 -0.754 50 20 HBGD CCC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@H](N)C(N)=O)C[C@@H]21 1784618297 JZTJBPSTMQPJSY-RMEBNNNOSA-N 402.923 -0.034 50 20 HBGD COc1nn(C)cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1785860105 GRGZIOYNHGBOPF-IMIFBBOLSA-N 400.863 -0.378 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cncs3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979554 XIJZNFQQDPDTPE-BPUTZDHNSA-N 415.280 -0.270 50 20 HBGD CC(C)(C)OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786980230 XVVMHXWOXJCKNA-SZMVWBNQSA-N 418.299 -0.225 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@H](O)CN3)[C@H]2C1 1789762933 MSCFKEBFDIWMKO-NCBDHNCWSA-N 408.326 -0.075 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCC2 1797513999 YUJVAOJCRCUZTN-HBCWATKFSA-N 418.498 -0.595 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)C=CC1=O)C2)[C@@H](F)Br 1799351998 HPMVVNCEOIVONT-HZZFPTLFSA-N 418.219 -0.809 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)C1CCC(O)CC1 1801133643 UECDFSUOTKEQIB-YJIALWDCSA-N 416.283 -0.879 50 20 HBGD C[C@H](O)C(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810304352 CWKWATLLPPYAGX-JDFRZJQESA-N 412.450 -0.220 50 20 HBGD O=C(c1cc2cn[nH]c2cn1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731613 MVZNVSQCVKHSKA-YJBOKZPZSA-N 423.857 -0.372 50 20 HBGD COCCOCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1835239867 ZMOKWTFWQCFOKA-MRXNPFEDSA-N 423.304 -0.109 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnccn3)C2)C1 1840150358 JRVNXZZKZSGCEJ-YJBOKZPZSA-N 412.874 -0.271 50 20 HBGD C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1840179421 MIXSFRIJTJBXBZ-BMFZPTHFSA-N 410.826 -0.407 50 20 HBGD CS(=O)(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1840549249 CLGGFDODMOJVLN-JSGCOSHPSA-N 400.856 -0.588 50 20 HBGD O=C1Cc2cccc(C(=O)N3CC4(CCCN4C(=O)c4cccc(B(O)O)c4)C3)c2N1 1843014911 OYHILCSRYFAYFS-UHFFFAOYSA-N 419.246 -0.008 50 20 HBGD NS(=O)(=O)c1cc(C(=O)NNC(=O)C2(C(=O)NC3CC3)CC2)ccc1Cl 726158042 XPABWCKQLMYNBU-UHFFFAOYSA-N 400.844 -0.193 50 20 HBGD CCOC(=O)c1cc(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)ccc1F 728510809 VFIBUVNTZJVNQF-MRVPVSSYSA-N 411.433 -0.750 50 20 HBGD CNC(=O)c1ccc(C(=O)OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cn1 732339503 XASQOFAUILDNQP-UHFFFAOYSA-N 401.335 -0.033 50 20 HBGD C[C@@H](CNC(=O)C(=O)NNC(=O)c1cc2c(s1)CCCCCC2)S(N)(=O)=O 763911307 IXARTPDMRCLASA-JTQLQIEISA-N 416.525 -0.039 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1c(F)cccc1-n1cccn1 764227627 OQYQBCCJGCRFAL-VIFPVBQESA-N 412.403 -0.965 50 20 HBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 784915335 LUUNMIWBCIYAFQ-UHFFFAOYSA-N 420.470 -0.620 50 20 HBGD CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1-n1ccnn1 794920351 KMKHTCKPRQHQBK-UHFFFAOYSA-N 421.421 -0.445 50 20 HBGD Cc1nc2ccccn2c1C(=O)NNC(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 807115013 WXRYNPFZXBFBLE-UHFFFAOYSA-N 415.454 -0.334 50 20 HBGD COc1ccccc1NCC(=O)NNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 914832356 WGWQRTNQDPJDLL-STQMWFEESA-N 424.479 -0.710 50 20 HBGD O=C(NNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1)c1cnccn1 1338303096 VTCVTTUYKHGELE-UHFFFAOYSA-N 411.465 -0.116 50 20 HBGD O=C(CN1C(=O)C=CC1=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2 1782311699 GVZFFBGXFUMRLN-VEVIJQCQSA-N 413.858 -0.975 50 20 HBGD Cc1nccn1CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1782775737 WKHVCQIHVKKYQH-HXUWFJFHSA-N 412.255 -0.985 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3cc(C(=O)O)ncn3)CCO2)C1 1783872537 AVTXZUZPLQPQLI-PIGZYNQJSA-N 412.830 -0.128 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)c3cccnc3)CCO2)C1 1783873814 UZORKYPBALMIRK-DNVCBOLYSA-N 424.885 -0.105 50 20 HBGD CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Cl)C[C@@H]21 1784440830 UVWCHEINRIMSBV-VLJOUNFMSA-N 413.899 -0.172 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ncccn1 1786107176 SONRUANNKNXBMX-XIRDDKMYSA-N 410.239 -0.937 50 20 HBGD CCOCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1791738242 LRLASXTUPGVOTQ-SZMVWBNQSA-N 404.272 -0.614 50 20 HBGD CC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCN(C(C)=O)CC1)C2 1799267566 BFLYCALGYQWPQV-KYHPRHEASA-N 414.934 -0.243 50 20 HBGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(C)(=O)=O)C2 1800639554 IUJSPEHOFBGHRD-LSCVPOLPSA-N 411.318 -0.206 50 20 HBGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)n1cnnn1)C2 1800643991 BPSONDACEIJVOM-YYHQMBLXSA-N 415.292 -0.003 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@@H](CNC(=O)[C@H]2C[C@@H](O)C2)[C@@H]1c1cccnc1 1809504171 DWNLKDMLCWHABN-XEYPJELSSA-N 423.278 -0.148 50 20 HBGD C[C@H](NC=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1822887782 AJEGBOMKLORHSP-GXFFZTMASA-N 416.268 -0.817 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C2=NNC(=O)C2)CC1 1831873559 OIIHWHLIXVHULF-INIZCTEOSA-N 420.514 -0.145 50 20 HBGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)on1 1834228749 ZJJWNEOAXBXDTP-IBGZPJMESA-N 423.470 -0.574 50 20 HBGD O=C(O)c1cnncc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1837946593 JSOJCJNHFRVDJW-BLLLJJGKSA-N 416.793 -0.221 50 20 HBGD Cc1n[nH]c(C)c1CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839238399 LFYKMWBZLJTCSO-QAPCUYQASA-N 414.890 -0.375 50 20 HBGD C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](Cl)COC)CCO2)C1 1840153643 WBKAEGBVPDISNF-LBTNJELSSA-N 417.890 -0.613 50 20 HBGD Cc1cc(C)cc(OCC(=O)NNC(=O)NCCS(=O)(=O)N2CCOCC2)c1 52303193 DGDMANLCMRVKLZ-UHFFFAOYSA-N 414.484 -0.325 50 20 HBGD CNS(=O)(=O)[C@@H]1CCCN(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1 733336514 VEEHTVSBOAEOQN-CYBMUJFWSA-N 408.444 -0.970 50 20 HBGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)c1ccc(CS(N)(=O)=O)cc1 736559749 JTTGFCILKHJUOP-UHFFFAOYSA-N 415.472 -0.056 50 20 HBGD CC(C)c1nc(C#N)c(NNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)o1 746523979 KGSRLEMGVGIAJK-UHFFFAOYSA-N 400.399 -0.050 50 20 HBGD C[C@H](CS(C)(=O)=O)C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 747080434 MKVHRKSFRKKNGG-ZWNOBZJWSA-N 400.409 -0.802 50 20 HBGD Cn1c(=O)nc(O)c2c(C(=O)NNC(=O)C(=O)N3CCCC3)cc(C3CC3)nc21 748241148 QGAZMEAIYBNQLC-UHFFFAOYSA-N 400.395 -0.705 50 20 HBGD COc1ccc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1NS(C)(=O)=O 756783377 YNYHBNKPMMYCGR-SECBINFHSA-N 420.469 -0.346 50 20 HBGD COCC(=O)N(C)CC(=O)NNC(=O)c1ccc(CSc2nncn2C)cc1 758058595 MWOJZQXJSSEYGW-UHFFFAOYSA-N 406.468 -0.027 50 20 HBGD Cc1c(C(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C)cnc2c1c(=O)n(C)c(=O)n2C 772216311 YNIRTNMTOAUHKC-LLVKDONJSA-N 419.438 -0.321 50 20 HBGD COC(=O)c1[nH]c(C)cc1NC(=O)C(=O)NNC(=O)CNC(=O)c1cccs1 784004551 XVOPKIRGVGWMCA-UHFFFAOYSA-N 407.408 -0.313 50 20 HBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 784916251 VYHWSFRCIGEBME-UHFFFAOYSA-N 401.420 -0.103 50 20 HBGD COCCn1cc(S(=O)(=O)NNC(=O)CNC(=O)OCc2ccccc2)cn1 794596133 FUCBEBMEVWFLJJ-UHFFFAOYSA-N 411.440 -0.235 50 20 HBGD Cc1cc(C)n(CC(=O)NNC(=O)NC2C[C@@H]3CC[C@H](C2)N3CC(=O)N(C)C)n1 807514525 WKSKVGDSMKRHIM-MQVJKMGUSA-N 405.503 -0.086 50 20 HBGD C[C@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)n1cncn1 914046763 ZIPXHKXODSKRAP-GFCCVEGCSA-N 408.440 -0.679 50 20 HBGD N#Cc1ccc(C(=O)NNC(=O)CN2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1 1254246284 NCRDTDRDCLGXCE-INIZCTEOSA-N 405.480 -0.876 50 20 HBGD COC[C@H](NC(C)=O)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1779317808 KAVBPORDEZIWSM-FFSVYQOJSA-N 420.304 -0.249 50 20 HBGD Cc1c(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cn2[nH]cnc(=O)c12 1780015850 DWGOYUDUVMOQFD-UGSOOPFHSA-N 423.857 -0.626 50 20 HBGD CCC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(CCO)CCO)C[C@@H]21 1784622836 XJFBDTUUAVLLHB-NXOAAHMSSA-N 419.950 -0.340 50 20 HBGD O=C1CC[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]3C2)N1 1789922033 AFAHZVJHJOHNFP-XGZQDADWSA-N 406.252 -0.065 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncccn3)C[C@@H]21 1791288548 CTSFFHMNVLNHEZ-KKUMJFAQSA-N 404.471 -0.557 50 20 HBGD CCC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(CCO)CCO)C2 1793453169 SSVGSFYOBTWXLO-JYYAWHABSA-N 405.923 -0.730 50 20 HBGD Nc1nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)cs1 1796187194 QDDOHCSCBAARNG-BTTYYORXSA-N 400.269 -0.029 50 20 HBGD CC(=O)N(C)[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798440288 KIBOZRNEYNZOHF-REBRKWNGSA-N 416.482 -0.196 50 20 HBGD C[C@@H](Nc1cnccn1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1798460899 NHQREYZEIPZAQS-NKGKWGDASA-N 423.282 -0.091 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)[C@@H]2C=CCN2)[C@@H]1c1cccnc1 1813071604 USIRUHPJKIKRMN-FUHIMQAGSA-N 414.510 -0.012 50 20 HBGD Cn1ccc(=O)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1838529238 SGMYLBWZUTWMBM-MAUKXSAKSA-N 413.858 -0.945 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1839150837 YVMFHSUGUAZYSL-KNXALSJPSA-N 424.281 -0.213 50 20 HBGD CC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1839860303 NQVJFVUCSDWDAG-JSGCOSHPSA-N 410.240 -0.731 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnsn3)C2)C1 1840150003 CUSNIZWTZLERQJ-ABAIWWIYSA-N 404.876 -0.138 50 20 HBGD COC(=O)CSCC(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1841614189 XIHXMFFFLSKMFO-UHFFFAOYSA-N 421.479 -0.592 50 20 HBGD CCC[C@@H](NC(C)=O)C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844265464 FRGXKBYOXCDCQP-MRXNPFEDSA-N 416.482 -0.193 50 20 HBGD COc1ccc(S(N)(=O)=O)cc1C(=O)NNC(=O)Cc1cn2ccccc2n1 746642549 ZVQOUPMJXJEMIQ-UHFFFAOYSA-N 403.420 -0.006 50 20 HBGD C[C@@H](O)c1cn(CC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)nn1 748618879 ISDBXQDNYRXNOX-CYBMUJFWSA-N 423.499 -0.589 50 20 HBGD CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 749334892 GNHXEXLRRVDXEQ-BDJLRTHQSA-N 424.454 -0.064 50 20 HBGD COc1ccc(C(=O)NNC(=O)COC(=O)Cn2c(C)cc(O)cc2=O)cc1OC 753142806 PVBDWZVEIGRALF-UHFFFAOYSA-N 419.390 -0.116 50 20 HBGD CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)C2CC2)cc1 763564193 XHMAOFQASBIVIZ-STZFKDTASA-N 407.452 -0.005 50 20 HBGD O=C(CNC(=O)c1cccnc1)NNC(=O)[C@H]1CCCN1C(=O)c1ccccc1O 764344285 WUHYZGJRXCPGID-OAHLLOKOSA-N 411.418 -0.031 50 20 HBGD COC(=O)c1cc(C=NNC(=O)C(=O)NN=Cc2cc(C(=O)OC)n(C)c2)cn1C 790141479 JAAIIXBHTZFTKN-UHFFFAOYSA-N 416.394 -0.463 50 20 HBGD C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 792855101 OVDVMBCKUCVGGZ-OCCSQVGLSA-N 414.509 -0.283 50 20 HBGD CCc1nc2ccccc2n1CC(=O)NNC(=O)C1CCN(S(N)(=O)=O)CC1 915189173 AFJZWGDOJQQMEB-UHFFFAOYSA-N 408.484 -0.338 50 20 HBGD O=C(NCCN1CCCS1(=O)=O)NNC(=O)C1CCN(c2ncccn2)CC1 1115990157 SUGGLZNLMOXNRR-UHFFFAOYSA-N 411.488 -0.941 50 20 HBGD CCOc1ccc(S(=O)(=O)NCC(=O)O[C@@H](C)C(=O)NNC(=O)CC)cc1 1320367404 LPNCVUIHXQEPSA-NSHDSACASA-N 401.441 -0.147 50 20 HBGD O=C(NNS(=O)(=O)c1c(Cl)nc2sccn12)N[C@@H]1CCS(=O)(=O)C1 1338517489 HZMNRQNHGVEURU-ZCFIWIBFSA-N 413.890 -0.271 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)Cc3ccncc3)CCO2)C1 1779032747 UAQXHMDMTWLARU-NRFANRHFSA-N 424.461 -0.234 50 20 HBGD Cc1nc(N)sc1C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783933911 MNGQOZUFDJVJPH-GOSISDBHSA-N 424.527 -0.150 50 20 HBGD COc1nn(C)cc1C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783935880 GEJCRAXOPAQDPO-LJQANCHMSA-N 422.486 -0.755 50 20 HBGD CC[C@@H](C)[C@H](N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1786824845 OUZPFXIXPXYBFH-CUGJGTHOSA-N 411.547 -0.288 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cn[nH]c3)[C@H]2C1 1787614892 SXXCZAOTNMUVKH-UVBJJODRSA-N 413.438 -0.685 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(CO)on3)[C@H]2C1 1789379996 FHRPYZNCQBGPBS-NOLJZWGESA-N 423.470 -0.867 50 20 HBGD COCCOCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791289410 XWPHIBDUPLKWSO-JYJNAYRXSA-N 414.503 -0.998 50 20 HBGD CNC(=S)NCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCBr 1795115683 GQEBASSUQRAEHS-GNXNZQSNSA-N 421.361 -0.155 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1O)C2)c1cccc(B(O)O)c1 1795737377 XNJUMAOVYDJOSH-CCWDJLKJSA-N 410.235 -0.411 50 20 HBGD CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797748563 IOGRGKNRWNNMOR-NOXHYTERSA-N 421.523 -0.157 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncc(F)c1)C2 1801009451 JECPMXPQKFOXBU-ZSBFGKGUSA-N 407.446 -0.203 50 20 HBGD O=C(NC1CCN(C2CCN(C(=O)c3c[nH]c(=O)cn3)CC2)CC1)[C@@H](O)CCl 1833312660 VIZKQQMYSMYTIJ-HNNXBMFYSA-N 411.890 -0.445 50 20 HBGD CC(C)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1834795079 DKPDFCUJWPERGY-HXUWFJFHSA-N 404.272 -0.518 50 20 HBGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835931650 VWQRHVWPRJVKDY-LPHOPBHVSA-N 424.690 -0.546 50 20 HBGD Cc1nc(C)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)o1 1837999730 QDZGLNMZLGZYBE-SUMWQHHRSA-N 401.847 -0.039 50 20 HBGD O=C(Cn1ccncc1=O)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1839665523 JMWCCUHQVOVGKO-MRXNPFEDSA-N 419.265 -0.497 50 20 HBGD O=C([C@H]1Cc2ccccc2CN1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011042 IOIHLECWXVBLAY-HXUWFJFHSA-N 419.290 -0.102 50 20 HBGD O=C(Nc1cccnc1)C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014260 RLCHUKPNVNLTAM-UHFFFAOYSA-N 408.223 -0.783 50 20 HBGD CC(=O)O[C@@H](C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2)C(C)C 1844162265 KITFOSPVGQYJSQ-QGZVFWFLSA-N 402.256 -0.229 50 20 HBGD CC(C)(C)NS(=O)(=O)c1ccccc1NNC(=O)CN1CCS(=O)(=O)CC1 734252158 FYGDFJRXPSJIRE-UHFFFAOYSA-N 418.541 -0.063 50 20 HBGD O=C(NCc1ccccc1OCCN1CCOCC1)NNC(=O)C(=O)N1CCCC1 748459929 FVZVLYCDHUFXTH-UHFFFAOYSA-N 419.482 -0.150 50 20 HBGD Cc1cccnc1C(=O)NNC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 752241252 ZHJAEZNWBKZRJJ-LBPRGKRZSA-N 417.447 -0.148 50 20 HBGD CN(C)S(=O)(=O)c1cc(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)co1 755406991 HGHSBAMBWKZHCY-UHFFFAOYSA-N 419.419 -0.148 50 20 HBGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(CC(N)=O)cc1 763657721 QJVDLSATILGCBG-UHFFFAOYSA-N 400.391 -0.112 50 20 HBGD C[C@@H](CNC(=O)C(=O)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1)S(N)(=O)=O 763850886 BNCNELCPMZVKFB-NWDGAFQWSA-N 422.463 -0.452 50 20 HBGD COC(=O)c1ccc(C(F)(F)F)cc1NC(=O)C(=O)NNC(=O)[C@@H]1COCCO1 764435874 YGFJLZIGQVGBRR-NSHDSACASA-N 419.312 -0.007 50 20 HBGD COCCCS(=O)(=O)NCC(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1 770175019 BZLRLBWZYHIPMX-UHFFFAOYSA-N 422.485 -0.801 50 20 HBGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)NCc1nnnn1CC1CC1 793055472 SCDWHMURIQRHNL-UHFFFAOYSA-N 402.415 -0.160 50 20 HBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCCCN1CCOCC1 806979654 DWNVTYGKLFUZCG-UHFFFAOYSA-N 412.516 -0.046 50 20 HBGD N#Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1 914878787 AJWAKYCHNYCKGW-ZIAGYGMSSA-N 420.447 -0.880 50 20 HBGD CCNS(=O)(=O)c1ccc(CC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 1116596090 GHBBEOVRRHJWIZ-LBPRGKRZSA-N 403.482 -0.891 50 20 HBGD CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NNC(=O)CC1CC1 1344016816 MUVXOUASWSVIMK-CQSZACIVSA-N 417.509 -0.284 50 20 HBGD C[C@]1(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)CC1(F)F 1785392724 NJLBMYZYGAHTNI-QZTJIDSGSA-N 408.210 -0.145 50 20 HBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccccn3)C[C@@H]21 1788610631 NLGKIHMSXBLXSW-OWQGQXMQSA-N 424.461 -0.013 50 20 HBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]3F)C[C@@H]21 1788611626 MZEMYJZRWGOZQU-BWLXKTTOSA-N 405.430 -0.364 50 20 HBGD Cc1ncccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1794676559 IBYSSVKKFWLNFW-ZSBFGKGUSA-N 424.461 -0.094 50 20 HBGD CC(=O)N1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](F)Cl)CC1 1796365089 QAMLHOWOVKJISZ-OCVGTWLNSA-N 404.870 -0.726 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nc2ccccn2n1)c1cccc(B(O)O)c1 1796562395 UGIJWFLIXHIJKY-BJWYYQGGSA-N 419.250 -0.025 50 20 HBGD Cn1cc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnccc2C(=O)NN)cn1 1798443697 XPESKAQWUXRUMG-QDMKHBRRSA-N 411.466 -0.087 50 20 HBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@](C)(Cl)CCl)C(=O)C(=O)O 1799279975 ZTELQWNXJCFAOO-DXCMXYRUSA-N 424.281 -0.645 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[C@@H]1[C@@H]2C=CS[C@@H]12 1800250642 SQGCWYMQRDKQEA-ZACOSQSXSA-N 414.292 -0.555 50 20 HBGD CCC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)C(=O)C(=O)O 1800259048 JNXLFDDOFNPTIB-GFQSEFKGSA-N 403.863 -0.474 50 20 HBGD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C)n1ccnc1 1801010623 NAVVMEQNZYQIOV-AFIMGQEJSA-N 406.487 -0.593 50 20 HBGD O=C(Cn1ccncc1=O)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@@H]1c1cccnc1 1812340223 YAACDMYIKCJVNJ-HDMKZQKVSA-N 419.869 -0.056 50 20 HBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1)[C@@H](O)CCl 1814870169 KXNOKRVJLRTTKB-GJZGRUSLSA-N 420.662 -0.005 50 20 HBGD CN1CCCC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830720009 QRNSIUUWULGPKE-HDMKZQKVSA-N 403.907 -0.473 50 20 HBGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CS(C)(=O)=O)CCO2)C1 1835249806 DLNDWRMGVAMREG-BBRMVZONSA-N 410.920 -0.105 50 20 HBGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1839865545 HKRQWNNEYQOSKS-NHYWBVRUSA-N 406.277 -0.508 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCNC(=O)C1)CCO2 1840233216 PSPQOLRJLQEQSL-GLJUWKHASA-N 417.890 -0.777 50 20 HBGD C[C@H](C(=O)N1CC2(CCCN2C(=O)CCC(=O)NN(C)C)C1)n1ccccc1=O 1846385315 PGVZCYQJUXMNJI-OAHLLOKOSA-N 403.483 -0.014 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1cnncc1C(=O)O)C2 1846385320 PYFOLQWPUKNPBW-UHFFFAOYSA-N 404.427 -0.635 50 20 HBGD C[C@]1(c2ccccc2)NC(=O)N(CC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)C1=O 728385550 YMFXKQYSRNEOFL-PIGZYNQJSA-N 408.436 -0.964 50 20 HBGD CS(=O)(=O)N1CCC(CNC(=O)NNC(=O)COc2ccc(C#N)cc2)CC1 749017788 SYIVCGGFXQEWOU-UHFFFAOYSA-N 409.468 -0.061 50 20 HBGD COc1ccc(NCC(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)cc1 755676852 DAITWSPFSHLUFB-NSHDSACASA-N 410.456 -0.645 50 20 HBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)Nc1ccc(CC(=O)N2CCOCC2)cc1 755862875 WLJYGNBMRBFHDQ-AWEZNQCLSA-N 424.479 -0.325 50 20 HBGD COc1cc(C(=O)NNC(=O)NCCNC(=O)c2cc[nH]n2)cc(OC)c1OC 779963636 BUJATTUYNGZGFM-UHFFFAOYSA-N 406.399 -0.191 50 20 HBGD O=C(NNC(=O)[C@H]1CC(c2c(F)cccc2F)=NO1)N[C@@H]1CCS(=O)(=O)C1 785951285 SDTBKNNVPJQWJQ-PRHODGIISA-N 402.379 -0.025 50 20 HBGD Cc1nc(Cl)ccc1NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 788814027 QVYYLNLOVGIYNP-UHFFFAOYSA-N 420.817 -0.357 50 20 HBGD C[C@H]1CN(CCC(=O)NNC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)C[C@@H](C)O1 912924845 TXVQYRRUBRIJPC-PVXWRDDUSA-N 404.467 -0.560 50 20 HBGD CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 921294509 QGFZTUNUPAGTNX-JTQLQIEISA-N 406.442 -0.163 50 20 HBGD C[C@@H](C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(F)cc1F 1324049561 NCFKIPPVSPKRGZ-SECBINFHSA-N 420.376 -0.337 50 20 HBGD CC(C)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CC(=O)NC3=O)[C@H]2C1 1785027534 LMKBVNFMCOTBGN-AVGNSLFASA-N 414.890 -0.217 50 20 HBGD Nc1nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)cs1 1796191217 MFOFHJKBBVLABG-BTTYYORXSA-N 400.269 -0.029 50 20 HBGD CCNC(=O)N[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1798381755 YHIPFNJISHVUTE-VDNDLQMASA-N 416.287 -0.674 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCOC1=O)C2)[C@H](F)Br 1799343124 OBOSQGDKAHUAEV-QCMRWSPLSA-N 408.224 -0.281 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cccc([N+](=O)[O-])c1=O)[C@@H](O)CCl 1801354572 SBNNGXUJWKKEIO-OPDFLTKYSA-N 412.830 -0.006 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnnn3C)CCO2)C1 1833237002 ZMBWKPUDGRVQBS-BLLLJJGKSA-N 401.851 -0.861 50 20 HBGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncnn3C)CCO2)C1 1833845544 TYCWPJSYZHZNCO-ABAIWWIYSA-N 416.276 -0.332 50 20 HBGD CCOCC(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1834482286 FKCVEHWPGHGPBB-UHFFFAOYSA-N 411.547 -0.033 50 20 HBGD O=C1NC[C@@H](C(=O)N2CCC(OC3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)O1 1836714565 WWHXUJVMTPAZQH-KBPBESRZSA-N 403.863 -0.307 50 20 HBGD C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837391330 KUJAGNIFWIUZEN-DEYYWGMASA-N 404.891 -0.384 50 20 HBGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncon3)C2)C1 1840034729 VVKAWYPDKQFSHN-QMTHXVAHSA-N 403.233 -0.077 50 20 HBGD O=C(CCc1ncc[nH]1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840323179 VIUNUQZHTQXWHW-SUMWQHHRSA-N 400.863 -0.602 50 20 HBGD COc1nccnc1C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1842220124 FTBWHUUADNTXFF-UHFFFAOYSA-N 411.422 -0.386 50 20 HBGD NS(=O)(=O)c1cc(C(=O)NNC(=O)CNC(=O)c2cccs2)ccc1F 725740354 UHITYFGHZLOQPL-UHFFFAOYSA-N 400.413 -0.274 50 20 HBGD CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)Cc2cc[nH]n2)cc1 730102935 SVPGOHADNKJFAN-UHFFFAOYSA-N 408.440 -0.621 50 20 HBGD CC(C)Oc1ccc(NS(=O)(=O)CC(=O)NNC(=O)C(=O)N2CCCC2)cc1 748239546 IKUMJOHUUGWLQN-UHFFFAOYSA-N 412.468 -0.015 50 20 HBGD Cc1cc(F)c(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1C(=O)O 753774831 OIUBNZMRSNMYBU-QMMMGPOBSA-N 409.417 -0.488 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 758024299 BYERYKMBZIAODY-RKDXNWHRSA-N 404.395 -0.597 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cc(Br)c2c(c1)OCO2 758048376 SILAABASSYEGBT-LURJTMIESA-N 408.230 -0.124 50 20 HBGD Cn1ccc(N2CCC[C@@H](NC(=O)NNc3nc(O)c4cnn(C)c4n3)C2=O)n1 770399362 GGPHPWKGWMEQPY-SNVBAGLBSA-N 400.403 -0.376 50 20 HBGD COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NNc2nccn(C)c2=O)C1=O 771599665 MURAYSIIMLWJSZ-SFHVURJKSA-N 400.395 -0.301 50 20 HBGD CC(C)CS(=O)(=O)N1CCC(NC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)CC1 777765335 LCHKQBQILBEBRM-HNNXBMFYSA-N 410.562 -0.182 50 20 HBGD CCOC(=O)c1cnc(NNC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)nc1C 778425469 AAYGZCWKLMZEBY-QIWZIZFYSA-N 417.422 -0.044 50 20 HBGD CC[C@@H]1CN(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C[C@H](C)S1(=O)=O 804869128 UEUNKRRJLWLFOE-SMDDNHRTSA-N 407.456 -0.086 50 20 HBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 914778074 YRAUDGMLUQZCGY-VHSXEESVSA-N 401.391 -0.100 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCOC1)CCO2 1779034150 OJRHLPXNIRGJQD-BFUOFWGJSA-N 403.439 -0.835 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CNC(=O)C2)C1 1781779934 ISZMFUOCHGZPSH-STXHMFSFSA-N 423.514 -0.991 50 20 HBGD CO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788609744 FRVXDGAROBUDPM-APYUEPQZSA-N 405.455 -0.687 50 20 HBGD COC[C@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@](C)(Cl)CCl 1799277184 SUSQEWIDXPPCMD-WLZFUECHSA-N 424.325 -0.037 50 20 HBGD Cc1nc(C)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)o1 1801011846 KKHCXTJWJFDYMD-XOIINTDNSA-N 407.471 -0.132 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COc1cccnn1 1802944312 JQWNIPOAGGKQJV-QDMKHBRRSA-N 404.471 -0.133 50 20 HBGD O=C(NC[C@@H]1CCN(C(=O)c2nc[nH]n2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807371218 RESMOVGZQOTSAX-RDJZCZTQSA-N 420.238 -0.487 50 20 HBGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(N)=O)C2)C1 1830545809 NCLUPCZWWUTAIB-XHDPSFHLSA-N 421.292 -0.858 50 20 HBGD COC(=O)CSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1831443041 LGAVBEFBNHSIFJ-HIFRSBDPSA-N 412.867 -0.117 50 20 HBGD CC(C)(C)OC(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1831986842 SHEBXUNCSWKGOT-FZKQIMNGSA-N 420.890 -0.226 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccno1)CCO2 1834154741 MKYRLNLBWRNWTH-SFHVURJKSA-N 409.443 -0.882 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cnnn3)CCO2)C1 1836149087 WQOCKUQKSOHHHB-CABCVRRESA-N 421.285 -0.634 50 20 HBGD Cc1nn[nH]c1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1836300905 OJHWKIQBPIPNII-OAHLLOKOSA-N 416.276 -0.032 50 20 HBGD Cc1nc[nH]c1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840184520 RVCGTEGDPCGDCV-LJQANCHMSA-N 422.486 -0.839 50 20 HBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC2(CCCN2C(=O)[C@@H](N)CN)C1 1843348486 ZJHJPQMYULTWGK-RYUDHWBXSA-N 403.911 -0.392 50 20 HBGD CCCNC(=O)CN1CCC(NC(=O)NNC(=O)CNC(=O)c2ccco2)CC1 725871631 ORZMKINLBJDYIW-UHFFFAOYSA-N 408.459 -0.670 50 20 HBGD CCn1nc(C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)ccc1=O 732285863 NQMLJJOXRMMCLH-UHFFFAOYSA-N 420.495 -0.044 50 20 HBGD CCOC(=O)NCC(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 735118912 ZLXMUNQTMOJEBM-UHFFFAOYSA-N 400.461 -0.793 50 20 HBGD Cn1cc(C(=O)NNC(=O)[C@H]2CCC[C@H](C(=O)NNC(=O)c3cnn(C)c3)C2)cn1 735446465 ZUCGPPZINCENOI-RYUDHWBXSA-N 416.442 -0.818 50 20 HBGD Cc1ccc(C)c(OCC(=O)NNC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)c1 742242273 SSZMFKGUBSUUJY-UHFFFAOYSA-N 424.435 -0.500 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)Cn2cc([N+](=O)[O-])nc2C)cc1 743737799 ASMWSMBIZOZRTG-UHFFFAOYSA-N 424.439 -0.124 50 20 HBGD N#Cc1ccc(C(=O)NNC(=O)CN2CCN(C(=O)C(=O)N3CCCC3)CC2)cc1 744387758 XUSDBKKIVJUDFO-UHFFFAOYSA-N 412.450 -0.914 50 20 HBGD O=C(NNS(=O)(=O)c1ccc(-n2cnnn2)cc1)[C@@H]1COc2ccccc2O1 747409039 FUGADRIFLUJCIY-HNNXBMFYSA-N 402.392 -0.188 50 20 HBGD CN(C)C(=O)Cn1cc(NC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)cn1 756801121 HVDHPHACACXEKQ-UHFFFAOYSA-N 408.440 -0.159 50 20 HBGD COc1ccc(C(=O)NNC(=O)NCCNS(=O)(=O)NC(C)C)cc1OC 758861460 FEFSSRIWQAMICO-UHFFFAOYSA-N 403.461 -0.520 50 20 HBGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cn1C 763576957 DWYKAGKRUUYTDE-CQSZACIVSA-N 402.363 -0.262 50 20 HBGD COC(=O)c1c(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)sc2c1CCCC2 764434352 PZOGNLZALDLQLF-JTQLQIEISA-N 411.436 -0.085 50 20 HBGD CN(C)S(=O)(=O)c1ccc(O)c(C(=O)NNC(=O)CNC(=O)c2ccco2)c1 767933586 DWBDRBUPCLIQKC-UHFFFAOYSA-N 410.408 -0.574 50 20 HBGD CN1CCN(CC(=O)NNC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)CC1=O 780726359 JOOARPZOHQMLMB-UHFFFAOYSA-N 412.491 -0.510 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@](N)(c1cccc(F)c1)C(F)(F)F 806787907 PJYHMQFNEGONEN-JVXZTZIISA-N 400.354 -0.373 50 20 HBGD Cc1c(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cnn1CCO[C@H]1CCCCO1 1253694815 TVVRDSMBFYBXCN-ZFWWWQNUSA-N 414.484 -0.070 50 20 HBGD COCCO[C@@H]1C[C@@H](CO)CN(CC(=O)NNC(=O)Cc2nc(C)cs2)C1 1320859283 QYGSUQJRXFHPQN-ZIAGYGMSSA-N 400.501 -0.513 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3nccnc3C(N)=O)CCO2)C1 1783880307 AUNVZTDDMBZAIE-APPDUMDISA-N 411.846 -0.727 50 20 HBGD C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1)n1ccnc1 1783933087 CFASLBVMGFKPOP-DNVCBOLYSA-N 406.487 -0.353 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)C(Cl)Cl)C2)C1 1783946530 PEMXDZCVDRZDNA-MRXNPFEDSA-N 416.265 -0.068 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4ncccn34)C[C@@H]21)[C@@H](O)CCl 1784093473 WCHCMJWLXMNUFT-JURCDPSOSA-N 407.858 -0.078 50 20 HBGD N#Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c1 1795739898 NUHRVDNKHPNQAM-OPVJXMOQSA-N 419.246 -0.245 50 20 HBGD O=C(NC[C@H]1CCN(C(=O)[C@H]2C[C@@H](O)C2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807374177 FDGGQAQKHVBOJO-IZBJGVDFSA-N 423.278 -0.148 50 20 HBGD COc1nccnc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830726144 WSBUTJVMGDCMRZ-SJKOYZFVSA-N 414.846 -0.845 50 20 HBGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939419 PXYCYTAHJLWUHJ-QFBILLFUSA-N 424.690 -0.546 50 20 HBGD C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837391333 KUJAGNIFWIUZEN-SUNYJGFJSA-N 404.891 -0.384 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CC)NC(N)=O)C2)C1 1839144768 KGGDXULVQFTITC-AHIWAGSCSA-N 404.895 -0.093 50 20 HBGD O=C1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)=NN1 1839201207 ZGYYTEMUEUSBCS-FZMZJTMJSA-N 421.223 -0.991 50 20 HBGD C[C@H](CBr)C(=O)N1CCCC12CN(C(=O)CN(C)C(=O)C(=O)O)C2 1841288992 DZBOTRACVYBSFM-SNVBAGLBSA-N 404.261 -0.236 50 20 HBGD C[C@@](O)(CC(=O)O)CC(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1846381184 AKABZFLPHQHPPS-SFHVURJKSA-N 419.438 -0.882 50 20 HBGD O=C(NCCS(=O)(=O)N1CCOCC1)NNC(=O)c1cc2c(s1)CCC2 52303865 XGQOUODCMFLOLO-UHFFFAOYSA-N 402.498 -0.157 50 20 HBGD COc1ccnc(N2CCN(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)CC2)n1 729221074 HRODQFYPOCPPSY-UHFFFAOYSA-N 424.425 -0.363 50 20 HBGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NCC(C)(C)NS(C)(=O)=O)nc1 731761539 QIEVNNMSLUMELN-UHFFFAOYSA-N 422.533 -0.278 50 20 HBGD N#Cc1ccc(OCC(=O)NNC(=O)Cn2cc(Br)c(O)nc2=O)cc1 733793109 HROCXXZAUDECOA-UHFFFAOYSA-N 422.195 -0.191 50 20 HBGD COc1ccc(C(=O)NNC(=O)CSc2n[nH]c3nc(=O)c(C)nn23)cc1OC 734235681 SQJHTJHCTDBQBH-UHFFFAOYSA-N 419.423 -0.308 50 20 HBGD COc1ccccc1OCC(=O)NNC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 742472570 SFSAULRBBOAIFD-DTTOXWODSA-N 417.418 -0.226 50 20 HBGD Cc1c(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c(=O)n(-c2ccccc2)n1C 755319690 IIPXZDIZWRLKLL-SNVBAGLBSA-N 410.456 -0.425 50 20 HBGD COc1ccc(CCC(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)cc1 755726947 WYIZZFNVCYDOMY-LBPRGKRZSA-N 409.468 -0.124 50 20 HBGD Cc1c(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)nnn1-c1ccc2c(c1)OCCO2 758056125 RSRNBPYLHYKVIV-VIFPVBQESA-N 424.439 -0.954 50 20 HBGD CC(=O)N1CCN(C(=O)CCNC(=O)NNc2ccccc2S(C)(=O)=O)CC1 765767704 MSJHZNOGGNVRKF-UHFFFAOYSA-N 411.484 -0.203 50 20 HBGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)n(-c2ncccn2)n1 768233938 PJTPCLLZDJTZKL-AWEZNQCLSA-N 423.389 -0.103 50 20 HBGD Cn1ncc2c(O)nc(NNC(=O)NCCCN3C(=O)NC4(CCCC4)C3=O)nc21 770342362 HIQJCAZQLWWMNZ-UHFFFAOYSA-N 417.430 -0.050 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)N1CC[C@@H](C(=O)NCC(F)(F)F)C1 777498337 LAUFIFJGBUBSCQ-SECBINFHSA-N 405.333 -0.249 50 20 HBGD NC(=O)N1CCC[C@H](C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)C1 805296775 FQLNFTRAGONYHI-FZMZJTMJSA-N 406.395 -0.692 50 20 HBGD O=C1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)c3ccccc3O)c2)CCN1 906962574 LARQBQWKFXJRQB-UHFFFAOYSA-N 418.431 -0.413 50 20 HBGD Cn1c(=O)c2c(ncn2CCC(=O)NNC(=O)c2ccc(Cl)cc2O)n(C)c1=O 918358305 ORBFZOHZYGVLJP-UHFFFAOYSA-N 420.813 -0.356 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3ccnnc3)CCO2)C1 1779028383 KLHOZGZBCZFGAE-LJQANCHMSA-N 411.422 -0.768 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3ccc(F)nc3)C2)C1 1779437680 HVCJNPHBKUPVMR-HXUWFJFHSA-N 413.214 -0.342 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCNC(=O)C3)[C@H]2C1 1791349878 QKRFWXGKSDAFCB-LXFSFDBISA-N 401.891 -0.254 50 20 HBGD CCOC(=O)N[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)Br)C2 1797588676 VSCFMUXEFJBZQE-BZNQNGANSA-N 422.276 -0.576 50 20 HBGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCOCC1)C2 1800756629 PQIPSVGPONXIQY-XPCVCDNBSA-N 404.305 -0.308 50 20 HBGD NC(=O)CC[C@H](N)C(=O)N1CC[C@H](CNC(=O)[C@H](O)CCl)[C@@H]1c1cccnc1 1803138222 IBNMXOMKFQISRE-CTASWTNQSA-N 411.890 -0.720 50 20 HBGD C[C@H](CN)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1814741431 KHCYMRXPPLVBKF-MFKMUULPSA-N 402.285 -0.357 50 20 HBGD NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1821952355 TYGKSCCXWXMLNF-HNNXBMFYSA-N 413.243 -0.339 50 20 HBGD C[C@@H](CC(N)=O)C(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826083504 OJSSODNVNGIUGI-QWRGUYRKSA-N 424.527 -0.060 50 20 HBGD O=C(c1[nH]nc2ncccc12)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1836451353 UMSIXUBHOSXOSF-SCLBCKFNSA-N 423.857 -0.372 50 20 HBGD CC(C)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839848247 HOKMCPCPBKOQGN-NRFANRHFSA-N 418.299 -0.127 50 20 HBGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC=O)C2)C1 1839966291 ZWILQNBUMMBPMM-WWGRRREGSA-N 420.304 -0.249 50 20 HBGD O=C(CN1CCOCC1)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840188232 YDXXYVVTXQDADN-MRXNPFEDSA-N 410.298 -0.421 50 20 HBGD CS(=O)(=O)NC[C@@H]1CCCN(C(=O)NNC(=O)CNC(=O)c2cccs2)C1 725874422 YRULEGQYSDMUEL-NSHDSACASA-N 417.513 -0.520 50 20 HBGD Cn1nc(SCC(=O)NN=Cc2cccc(OCC(=O)O)c2)c(=O)n(C)c1=O 733203728 XORPCIFGKQNEIE-UHFFFAOYSA-N 407.408 -0.815 50 20 HBGD CC(C)(C)OC(=O)N(CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)C[C@@H]1CCCO1 741893711 DGLVDSUCKRSJCX-OLZOCXBDSA-N 419.500 -0.015 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(F)c(Br)c1 743257694 OOXVPXADFTVCBX-LURJTMIESA-N 418.266 -0.165 50 20 HBGD Cn1c(=O)c2ccc(C(=O)NNC(=O)Cc3cn4ccccc4n3)nc2n(C)c1=O 746553973 TZDHGRSPLUDWJW-UHFFFAOYSA-N 407.390 -0.716 50 20 HBGD CC(C)NC(=O)C(=O)N1CCN(C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)CC1 748334772 QGZUXRDEFQBQGQ-OAHLLOKOSA-N 403.439 -0.600 50 20 HBGD COc1ccccc1SCC(=O)NNC(=O)C1CCN(S(N)(=O)=O)CC1 762407330 BYSFMBNAMLKVKG-UHFFFAOYSA-N 402.498 -0.150 50 20 HBGD CC[C@H](OC1CCCC1)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765729182 VAHXDUDERWJRPN-LBPRGKRZSA-N 406.443 -0.681 50 20 HBGD CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)COCc1ccccc1 786417494 QVKGKHRDAKNWMD-UHFFFAOYSA-N 403.395 -0.101 50 20 HBGD CCOC(=O)c1ccc(OC)c(S(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 795291616 ZFLHLLYERPOCIN-LLVKDONJSA-N 420.465 -0.384 50 20 HBGD O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)NNc1ccc(-n2ccnc2)nn1 804955335 XBYDWLFHVOFNRB-OAHLLOKOSA-N 414.470 -0.181 50 20 HBGD Cn1c(=O)c2cc(NC(=O)NNc3ccc(-n4ccnc4)nn3)cnc2n(C)c1=O 806205762 BRTBCORDINCRAM-UHFFFAOYSA-N 408.382 -0.244 50 20 HBGD COc1cc(C(=O)NNC(=O)CN(C)S(=O)(=O)N(C)C)cc(OC)c1OC 816813906 BIGABQNEFKUTBH-UHFFFAOYSA-N 404.445 -0.788 50 20 HBGD NS(=O)(=O)c1ccc(Br)c(C(=O)NNC(=O)CN2CCCC2=O)c1 920436257 ZROZECJWEPXRMK-UHFFFAOYSA-N 419.257 -0.520 50 20 HBGD CCn1nc(C(=O)NNC(=O)N[C@@H]2CCCS(=O)(=O)C2)c2ccccc2c1=O 1323844599 JEDZRDDJYKOMLK-LLVKDONJSA-N 407.452 -0.062 50 20 HBGD C[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)C[C@H]3NC(=O)NC3=O)CCO2)C1 1783528755 AAWXEWAWCLGAAA-WMFXKJRFSA-N 417.260 -0.802 50 20 HBGD CC(C)(C)OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1784943282 VHFILXRVBURYNP-SZMVWBNQSA-N 418.299 -0.225 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCC=CO3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979830 SAKLFNXYSJNPJU-KANFNMMFSA-N 414.267 -0.348 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C1CC1 1792851304 GIPXDQXVRRSVQD-XIZOUUALSA-N 413.478 -0.066 50 20 HBGD C[C@H](Cn1cncn1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1798576721 WAXBVXYAHDTBGA-NKGKWGDASA-N 411.271 -0.454 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cccnn2n1)c1cccc(B(O)O)c1 1799101046 DEUBQMORTACJHL-BJWYYQGGSA-N 419.250 -0.025 50 20 HBGD O=C1CN(CC(=O)N2CCC3(CCCN(C(=O)[C@@H](O)CCl)C3)CC2)C(=O)N1 1805518099 OIKBKTPQVVEHLV-LBPRGKRZSA-N 400.863 -0.631 50 20 HBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCC(N)=O)CC2 1826089908 QCSDJZLKDUDQSX-JTQLQIEISA-N 410.500 -0.306 50 20 HBGD O=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2)c1ccco1 1830726565 QSSRIZALZBVUKB-SJCJKPOMSA-N 400.815 -0.482 50 20 HBGD CCOC(=O)C1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@H](O)CCl)CCO3)C2)CC1 1830735096 CYPIUEJGERBQFP-CXAGYDPISA-N 418.874 -0.614 50 20 HBGD O=C(COc1cccnc1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1832668346 OFEXWWFIHCRWLH-QAPCUYQASA-N 413.858 -0.484 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCC(N2CCC(NC(=O)CNC(=N)N)CC2)CC1 1834677063 OYMQSIPJQWFUBE-UHFFFAOYSA-N 412.611 -0.107 50 20 HBGD C[C@@H](CN)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834797827 BBJIVVFGWPJFSE-HNNXBMFYSA-N 416.331 -0.854 50 20 HBGD O=C(Cn1cnnn1)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836716572 CKQIAQWERTVRSF-AWEZNQCLSA-N 400.867 -0.729 50 20 HBGD Cc1nc(CN2CCN(CC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)CC2)no1 733996093 QKBKAKLADSDNHT-UHFFFAOYSA-N 403.399 -0.135 50 20 HBGD Cc1cccc(C(=O)NNC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1 745482181 NEGPDNSXMCMRIE-KFZJALRRSA-N 415.402 -0.538 50 20 HBGD COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CCC[C@H](S(N)(=O)=O)C1 746452327 SBTKDPQFOMKFOF-NSHDSACASA-N 404.876 -0.138 50 20 HBGD COCCNS(=O)(=O)c1ccc(C)c(C(=O)NNC(=O)C(=O)N2CCCC2)c1 748247015 JFQMOIAOTUXKED-UHFFFAOYSA-N 412.468 -0.697 50 20 HBGD CS(=O)(=O)N1CCN(CCNC(=O)NNC(=O)c2ccc(Cl)cc2)CC1 749353549 OOUXHTDJCLHSQA-UHFFFAOYSA-N 403.892 -0.139 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCN(c2cccc(Cl)c2)C1=O 758036601 SQFVEKBRUAGHGF-BXKDBHETSA-N 402.860 -0.222 50 20 HBGD C#CCNS(=O)(=O)N1CCN(CC(=O)NNC(=O)c2ccccc2Cl)CC1 761031821 WPLIYTXLLMCOPF-UHFFFAOYSA-N 413.887 -0.814 50 20 HBGD CCN(CC)c1ccnc(NNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)n1 762902167 MTYUPYVPSUPUFH-STQMWFEESA-N 410.500 -0.199 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(OC2CCCC2)nc1 764228211 VXCUSSRWEQEKNI-SNVBAGLBSA-N 413.456 -0.573 50 20 HBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1nccc2c(S(N)(=O)=O)cccc12 768484252 LXJQFLWNXHLCPS-UHFFFAOYSA-N 407.452 -0.052 50 20 HBGD CC(C)[C@@H](C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)N1CCCS1(=O)=O 772697547 OEGRSKZBOFSBLF-LBPRGKRZSA-N 421.520 -0.098 50 20 HBGD COC(=O)c1cnc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cn1 780109450 KPXXVMRJBFDWHR-AWEZNQCLSA-N 416.346 -0.593 50 20 HBGD CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)NNC(=O)COc1ccccc1C#N 800746896 AYSABSGWEIZKGT-ZIAGYGMSSA-N 409.468 -0.015 50 20 HBGD CC1=CC(NC(=O)c2ccco2)=S=C1C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 811318017 SHRVQCSNTDTCPG-SNVBAGLBSA-N 411.461 -0.413 50 20 HBGD O=C(NNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)[C@@H]1COc2ccccc2O1 912947084 BKRINOJRTRIDDU-XUJVJEKNSA-N 423.447 -0.991 50 20 HBGD COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N2CC[C@@H](B(O)O)C2)CC1 1330262769 STIKEKMITAQDJU-CQSZACIVSA-N 424.284 -0.051 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](N)CCC(N)=O)CCO2)C1 1781227600 NECIQJFJGUOOLS-XZJROXQQSA-N 409.314 -0.355 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc[nH]n1)C2 1782209036 HWCWDWFZNITCHS-DNVCBOLYSA-N 406.487 -0.090 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cn(C)cn1)C2 1782210668 BCNGZQPSEHNUOS-OXQOHEQNSA-N 420.514 -0.079 50 20 HBGD C[C@@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(N)=O)C[C@@H]21 1783974952 BNZIEJNQGDRIHU-BJDJZHNGSA-N 405.293 -0.335 50 20 HBGD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)n[nH]1 1789309064 XAKZCZLSHQSLBD-DZKIICNBSA-N 406.487 -0.316 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CNC(N)=O)C2 1796892996 FPBSEKYUOODPRV-YOADBGGHSA-N 403.443 -0.573 50 20 HBGD CCc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)no1 1798216409 XXUIQLFVXLJABS-ZSBFGKGUSA-N 413.239 -0.566 50 20 HBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)no1 1798888841 YFPPPPIHTQDPSM-JGPRNRPPSA-N 400.395 -0.056 50 20 HBGD Cc1ccn(C)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801011918 UOMXMUGEWLQPIF-JLVBRIDZSA-N 405.499 -0.090 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)CCC(N)=O)[C@@H]1c1cccnc1 1812633971 MUKWLGMWQJJVOV-QRWLVFNGSA-N 418.498 -0.274 50 20 HBGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(N)=O)C2)C1 1830543836 FAWBQVICVYMIRS-BLLLJJGKSA-N 420.304 -0.261 50 20 HBGD CCCC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830730611 BWMQAEPBVVBJQH-HBUWYVDXSA-N 419.906 -0.653 50 20 HBGD O=C(CCc1ncc[nH]1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830736933 BYTUVGRORXUQNA-GUYCJALGSA-N 400.863 -0.602 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)CCC(N)=O)C2)C1 1839143578 AXNYNCDTWZXDRJ-DCGLDWPTSA-N 404.895 -0.947 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnoc3)C2)C1 1840183877 GGMFWTDTJYPMOA-SFHVURJKSA-N 409.443 -0.882 50 20 HBGD O=C(c1nc(O)n2c1CCCC2)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011553 PPBSHGUAGQULPJ-UHFFFAOYSA-N 424.266 -0.264 50 20 HBGD COc1ccc(NC(=S)NNC(=O)Cn2cc(S(N)(=O)=O)cn2)cc1F 727500243 VDVZVRODNCWKHQ-UHFFFAOYSA-N 402.433 -0.304 50 20 HBGD O=C(Cn1[nH]cc2c(=O)ncnc1-2)NNc1ccc(S(=O)(=O)NC2CC2)cc1 730540949 LOUBXDOSOXIGTC-UHFFFAOYSA-N 403.424 -0.345 50 20 HBGD CNS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)COc2ccccc2O)cc1 730813278 CURKODPWGMSDSM-UHFFFAOYSA-N 415.449 -0.311 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)NCCS(=O)(=O)NCC1CCC1 731683379 QVPVSWGOXRCLOI-UHFFFAOYSA-N 401.445 -0.941 50 20 HBGD NC(=O)c1ccc(/C=C\C(=O)N2CCC[C@@H]2C(=O)NNC(=O)[C@@H]2COCCO2)cc1 744648903 RAUCJKBDNITEHU-RQTGCPSESA-N 416.434 -0.648 50 20 HBGD CC[C@]1(C)NC(=O)N(CC(=O)OCC(=O)NNC(=O)Cc2nc(C)cs2)C1=O 760822624 XJPQEAANVPTZPM-INIZCTEOSA-N 411.440 -0.595 50 20 HBGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(-n2nccn2)nc1 763663418 IQVSQLZSRDYCOW-UHFFFAOYSA-N 411.378 -0.164 50 20 HBGD NC(=O)c1n[nH]c2ccc(NC(=O)C(=O)NNC(=O)COc3ccc(F)cc3)cc12 763840407 LARKPLOVFZAXFE-UHFFFAOYSA-N 414.353 -0.034 50 20 HBGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1 764426164 UBRDHILIDUVHJR-DOMZBBRYSA-N 411.386 -0.115 50 20 HBGD CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@@H]1CCc2nncn2C1 816873052 WXRJJPAEUMVNSJ-ZYHUDNBSSA-N 410.431 -0.556 50 20 HBGD O=C(COC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)NNC(=O)c1ccccc1 914651020 AYNLKEXAOFRDGE-ZIAGYGMSSA-N 423.447 -0.974 50 20 HBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)C1=COCC1 1782727538 OTBIYJISYWEPPR-WIYYLYMNSA-N 414.267 -0.202 50 20 HBGD O=C(CCN1C(=O)C=CC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Cl)C[C@@H]21 1784803342 HYWAHHWCTQSNPS-YWDSYVAPSA-N 401.822 -0.184 50 20 HBGD CCS(=O)(=O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2 1793316596 JBVHXIVYUKUYKG-GNXNZQSNSA-N 411.318 -0.204 50 20 HBGD CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(Cl)Cl)C2 1793318872 ZBENUIHMDAHMBE-CHWFTXMASA-N 416.327 -0.293 50 20 HBGD O=C(CCC(=O)N1CCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1793803501 WXRXSCXIDIMSFT-UMPJEAMMSA-N 401.891 -0.422 50 20 HBGD Cn1cccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797749519 BTSBCCWLZPBXTK-FVCICTRLSA-N 412.450 -0.459 50 20 HBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cscn1)C2 1797749781 RWIJWRKQJXWHLI-QHBPRCKVSA-N 416.463 -0.341 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1 1798694695 FOEMBUJIMBPNGD-ZSBFGKGUSA-N 402.455 -0.537 50 20 HBGD C[C@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H]1NC(=O)NC1=O)C2 1799273670 FYZDYUJCQMBDFK-RLHKTWEUSA-N 421.281 -0.590 50 20 HBGD CCNC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Br 1799350396 YRUOCKHPOPZEHH-HHHUOAJASA-N 423.283 -0.026 50 20 HBGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)n1)C2 1800974795 AXHHVMLOFWQROX-BSTOTGJRSA-N 400.819 -0.655 50 20 HBGD O=C(c1cc(=O)cco1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1834601575 SPWMVADNHDTJPK-SUMWQHHRSA-N 400.815 -0.691 50 20 HBGD CC[C@H](NC)C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1834793836 GBEQFVZRNLIQKJ-SFHVURJKSA-N 424.590 -0.071 50 20 HBGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CC[C@H](N)C(N)=O)CCO2)C1 1835748995 XWZNOGWHVMDZME-GDZNZVCISA-N 404.895 -0.947 50 20 HBGD CC1=C(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)CCO1 1840184166 WJLNKVMAEVTDEU-FQEVSTJZSA-N 424.498 -0.490 50 20 HBGD N=C1NCCN1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840188097 NRPLLEIMFMZHMB-HNNXBMFYSA-N 408.286 -0.914 50 20 HBGD CC(C)(C)OC(=O)CC(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013184 RLTICZNBLDMXCT-UHFFFAOYSA-N 402.256 -0.085 50 20 HBGD O=C(COCC(=O)NNC(=O)CNC(=O)c1cccs1)NCc1cccnc1 731187585 UOBBIBGJFDOISH-UHFFFAOYSA-N 405.436 -0.647 50 20 HBGD CCOC(=O)c1cc(NC(=O)NNC(=O)[C@H]2COCCO2)cc(S(C)(=O)=O)c1 757608784 HBWQMBNGHCYEMZ-CYBMUJFWSA-N 415.424 -0.165 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(OC2CCC2)c(F)c1 764226102 FSGJZDGMSCVNIT-VIFPVBQESA-N 416.431 -0.219 50 20 HBGD COc1cc(Cl)c(C)cc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 764234450 XZHZIZXAQQHAAI-QMMMGPOBSA-N 406.848 -0.319 50 20 HBGD O=C(NCc1cccc(N2CCCS2(=O)=O)c1)NNC(=O)C(=O)N1CCCC1 765895660 VHBSGRBQGBHCQJ-UHFFFAOYSA-N 409.468 -0.321 50 20 HBGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)c1ccnc(S(N)(=O)=O)c1 772435597 DRKCKVZZRQWTHR-UHFFFAOYSA-N 406.420 -0.416 50 20 HBGD CN(CCNC(=O)NN[C@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1cccs1 772631128 QZKZDXTWRVGCBP-CYBMUJFWSA-N 410.543 -0.250 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cccn3c(O)nnc23)cc1 780848519 OPSSPYQEHWEQMZ-UHFFFAOYSA-N 418.435 -0.175 50 20 HBGD COc1ncnc(N(C)C)c1NC(=O)C(=O)NNC(=O)CNC(=O)c1cccs1 784004948 MDRWNQQYTPWVFC-UHFFFAOYSA-N 421.439 -0.871 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc(O)c3ccccc3c2)n(C)c1=O 792236623 APMCHPSRBKNUEX-UHFFFAOYSA-N 422.401 -0.246 50 20 HBGD O=C(CC1CC1)NNC(=O)C(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 806977620 RFWQODFWBDQMBU-ZIAGYGMSSA-N 400.435 -0.031 50 20 HBGD Cn1nnc(Br)c1C(=O)NNC(=O)c1csc(N2CCOCC2)n1 809980795 VHQSFXJMDVQNJA-UHFFFAOYSA-N 416.261 -0.055 50 20 HBGD CNS(=O)(=O)c1cc(NC(=O)NNC(=O)[C@H]2CCc3nncn3C2)ccc1C 814516039 DDNUNAVTEUACBM-NSHDSACASA-N 407.456 -0.090 50 20 HBGD Cc1c(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cnn1C 821698982 SNZIFHZWJHRIKV-UHFFFAOYSA-N 407.452 -0.176 50 20 HBGD C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](F)Cl)CCO2)C1 1779181051 ZKRQIRXKUGHDOY-PPHDSNJXSA-N 413.837 -0.041 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cscn1 1786088183 QDXGNWXBLZTXIK-QRTARXTBSA-N 415.280 -0.270 50 20 HBGD CNc1nsnc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1792556872 KYCGQJDNHFCSLM-BTTYYORXSA-N 415.284 -0.175 50 20 HBGD Cc1cnn(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)c1 1795888065 LCXHAGCEAQLTAS-CCWDJLKJSA-N 406.487 -0.846 50 20 HBGD CC[C@@H](NC(N)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796189284 SSNBUJYBVNDBIJ-QKPAOTATSA-N 402.260 -0.935 50 20 HBGD CC[C@@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)Br)C2 1796321981 KBCTXPULSFHHBQ-RMPHRYRLSA-N 405.293 -0.194 50 20 HBGD O=C1NC(=O)[C@H](CC(=O)N2CCCC3(CCN(C(=O)[C@@H](O)CCl)CC3)C2)N1 1806842497 PQLWETHYRTYTNZ-RYUDHWBXSA-N 400.863 -0.585 50 20 HBGD C[C@@H](CN)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1814741429 KHCYMRXPPLVBKF-GWCFXTLKSA-N 402.285 -0.357 50 20 HBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1CCC(=O)N1)CC2 1826085374 ORLSMUCANWUYHT-ZYHUDNBSSA-N 422.511 -0.293 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC(N2CCC(NC(=O)CN)CC2)CC1 1834668212 ZEXDSKZHAANWLU-ZVHZXABRSA-N 417.514 -0.349 50 20 HBGD C[C@](O)(C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2)C(F)(F)F 1841802498 HDFWWWVWTKAMFK-HNNXBMFYSA-N 415.372 -0.185 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)COc2cccnc2)C1 1841956503 LBVBWFROLBNJSM-UHFFFAOYSA-N 410.434 -0.024 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)[C@@H]1CCNC(=O)C1)C2 1844265206 FWNSHPMQJZRIDD-GFCCVEGCSA-N 400.439 -0.972 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1cnc(OCF)cn1)C2 1846384298 AQBRZFLFNTYNHS-UHFFFAOYSA-N 408.434 -0.028 50 20 HBGD Cc1nc(S(=O)(=O)NCCC(=O)NNC(=O)c2cccc(N(C)C)c2)cn1C 725877711 HBHFFLLDEWPROA-UHFFFAOYSA-N 408.484 -0.076 50 20 HBGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)c1ccc2c(c1)C(=O)NC2=O 729282008 IXAGRUCXBUSRKT-UHFFFAOYSA-N 401.404 -0.062 50 20 HBGD O=C(NNC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)c1cnn[nH]1 729456583 UGNCVOXKVMCFQA-UHFFFAOYSA-N 424.347 -0.061 50 20 HBGD O=C(NNC(=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1)N[C@H]1CCS(=O)(=O)C1 746163030 LJFYCIKWZBPJHS-OCCSQVGLSA-N 415.516 -0.132 50 20 HBGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cnn(-c3ncccn3)c2)cc1 763661541 NOSSTIIDXGLWAZ-UHFFFAOYSA-N 411.378 -0.164 50 20 HBGD CN(C)C(=O)Cn1cc(NC(=O)C(=O)NNC(=O)Cn2ccc3ccccc32)cn1 764243207 PASONIRMALJKCV-UHFFFAOYSA-N 411.422 -0.288 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cc(C)[nH]n3)CC2)cc1 765734049 VRLCTRYRIZICCE-UHFFFAOYSA-N 420.495 -0.206 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCc2nnnn2CC2CC2)c1 771374860 QWTAMCRZVXRDDX-UHFFFAOYSA-N 422.471 -0.522 50 20 HBGD Cn1nccc1COCC(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 785690181 AZUCHGLMUVESLZ-UHFFFAOYSA-N 401.832 -0.301 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 801108984 WOPKXHDVDTUAFA-GBOPCIDUSA-N 400.391 -0.757 50 20 HBGD COc1cc(OC)cc(C(=O)NNC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)c1 921235473 AXWZOPYMNILBHW-UHFFFAOYSA-N 406.420 -0.038 50 20 HBGD C=C[C@H](COC)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1325633907 DPGGIIASNGUJJL-CQSZACIVSA-N 412.468 -0.148 50 20 HBGD CC(=O)NNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c1ccccc1 1347769970 SJKVQGKQVDQXSR-ZHZWZMEUSA-N 403.482 -0.453 50 20 HBGD O=C(CCBr)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1779090738 SASNGPYZAMCGKW-ZBFHGGJFSA-N 420.304 -0.748 50 20 HBGD CCc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)nn1C 1783934910 LDKWAYRJXKZBCQ-HXUWFJFHSA-N 420.514 -0.201 50 20 HBGD C[C@](O)(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1)C(F)(F)F 1784085387 IFGVOXQSLFXBFH-VITBEWHZSA-N 402.797 -0.121 50 20 HBGD O=C(CC[C@@H]1CCOC1)N1CC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1784808190 HARILPQFPWYLHC-IERDGZPVSA-N 416.283 -0.373 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(F)CCC3)C[C@@H]21)c1ccc(B(O)O)cc1 1786982204 QZFFPECOVFQUOE-XIRDDKMYSA-N 404.247 -0.148 50 20 HBGD CC[C@H](C)[C@H](N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791289160 MBKOAOYNIOVEGP-GMHRPJKWSA-N 411.547 -0.288 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnn2ncccc12)c1ccc(B(O)O)cc1 1796709841 AKGSBEJYULICCJ-BJWYYQGGSA-N 419.250 -0.025 50 20 HBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)CCl)C2)C(=O)C(=O)O 1800257370 ZGPDQSBBWKXVQC-PTEHBNRSSA-N 403.863 -0.616 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)c1ccccc1)C2 1801009585 PBILAZUSJRIICJ-HGKCTWBKSA-N 416.478 -0.168 50 20 HBGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CCCS1(=O)=O)C2 1802337797 ATVNHSHVLOGQEA-LXTVHRRPSA-N 414.528 -0.425 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccncc3=O)C2)C1 1839148290 SVVQYQXELFNFKK-KSSFIOAISA-N 412.874 -0.283 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCOCC3)C2)C1 1840151488 DUHJYELTRVLYCX-YJBOKZPZSA-N 419.906 -0.971 50 20 HBGD Cn1nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(Cl)Cl)CCO3)cc1O 1840186369 KVKWTTMJZLRBEE-OAHLLOKOSA-N 407.254 -0.001 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1cc(CO)on1)C2 1844264582 JZVXEURQXHEXMK-UHFFFAOYSA-N 400.395 -0.704 50 20 HBGD CNS(=O)(=O)c1cccc(CNC(=O)NNC(=O)CNC(=O)c2ccco2)c1 725871592 NNVYDXOKVBWYHA-UHFFFAOYSA-N 409.424 -0.552 50 20 HBGD COc1cc(C=NNC(=O)[C@@H](C)CN2CCOCC2)cc(OC)c1OCC(N)=O 730552276 HIJLTQUSNJWMMW-ZDUSSCGKSA-N 408.455 -0.014 50 20 HBGD CC(C)c1nnnn1CC(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 747030205 LVJDVLSAXLCCLV-CYBMUJFWSA-N 404.383 -0.673 50 20 HBGD O=C(COc1ccccc1F)NNC(=O)NCCNS(=O)(=O)Cc1ccon1 750267758 PCKBVMDEGPXKCL-UHFFFAOYSA-N 415.403 -0.358 50 20 HBGD CN(C)C(=O)NNS(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1 751271006 GTMVQXKLNCAGKL-UHFFFAOYSA-N 404.392 -0.008 50 20 HBGD NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1F 763573128 XBTCGXNPGMQZAJ-CQSZACIVSA-N 402.338 -0.150 50 20 HBGD NS(=O)(=O)c1ccc(CC(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)cc1 772196783 RCNHHRMIHMCERP-UHFFFAOYSA-N 424.866 -0.006 50 20 HBGD C[C@H]1NC(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)=NN(c2ccccc2)C1=O 778440868 KXDVKURSDAMRLM-LLVKDONJSA-N 404.427 -0.003 50 20 HBGD Cc1ccn(C[C@@](C)(O)C(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)c(=O)c1 790689761 OQVYSXDRDKLLDF-HXUWFJFHSA-N 412.402 -0.216 50 20 HBGD CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 799857035 OYOMKEYKEHXFFM-OCCSQVGLSA-N 422.471 -0.676 50 20 HBGD COc1ccc(N2C[C@H](C(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)CC2=O)cc1 919888205 AVIUNCNOFPCSRO-NEPJUHHUSA-N 410.452 -0.434 50 20 HBGD O=C(CCC(=O)N1CCc2sccc2C1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1317963151 JVTHMESVLKIDGX-LBPRGKRZSA-N 414.509 -0.070 50 20 HBGD CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)O1 1337206883 WRXIEHPCXWDHOI-GJZGRUSLSA-N 419.486 -0.341 50 20 HBGD CC(C)O[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1779167456 BKINLXJBGHZWGW-VLIAUNLRSA-N 419.482 -0.058 50 20 HBGD Cc1n[nH]c(C)c1C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1779391608 UZWGEMNOECFNIM-HXUWFJFHSA-N 412.255 -0.536 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(F)c[nH]3)C2)C1 1783627988 CJJQURMZHUJXOX-LJQANCHMSA-N 416.413 -0.090 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCCOC3)C2)C1 1785497738 REFQINYHUBROAM-OXJNMPFZSA-N 402.256 -0.764 50 20 HBGD CC[C@H](C)[C@H](N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984607 VGWSNGDDTRSPQR-SKMQDVENSA-N 417.315 -0.667 50 20 HBGD CC(C)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1792782958 GHFMHFFTAZFZCF-MIFYACCESA-N 408.691 -0.165 50 20 HBGD CCc1ccnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c1 1795734434 HUULNOKPQWRBOV-XEMDLRDOSA-N 423.278 -0.159 50 20 HBGD Nc1ncc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)s1 1796186994 FOZFFFNIDZDMHC-BTTYYORXSA-N 400.269 -0.029 50 20 HBGD COC[C@@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)n2[nH]nnc2n1 1796574476 VVPFLOBJMMKBME-LMLFDSFASA-N 409.834 -0.682 50 20 HBGD CC[C@H](NC(N)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1796758196 ODCCIEWTVBXKBU-FZKCQIBNSA-N 402.260 -0.935 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1[C@H]2SC=C[C@H]21 1800257610 VAMIVIKHGBKNMD-VTBFWDELSA-N 408.524 -0.176 50 20 HBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCSCC1)C2 1800973654 LFPKWOCLJZZFFJ-FQLMCAECSA-N 405.948 -0.121 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[C@H]1C[C@@]1(F)Cl 1801091058 PVOKQZOYZIZRBK-BXPDPKNNSA-N 410.638 -0.506 50 20 HBGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1ncon1 1811178836 KIGRHYAVOBNEGC-DOTOQJQBSA-N 421.222 -0.222 50 20 HBGD COCc1oncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830727933 KVCLGEFPZUUMIN-SUMWQHHRSA-N 417.846 -0.509 50 20 HBGD O=C(c1cnn2ncccc12)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830728053 NOWGFEVTOAJOPE-YJBOKZPZSA-N 423.857 -0.601 50 20 HBGD O=C1CC[C@@H](C(=O)N2CCC(N3CCC(NC(=O)[C@H](O)CCl)CC3)CC2)CN1 1833306030 JUAYITVCQFJEKR-CZUORRHYSA-N 414.934 -0.316 50 20 HBGD CC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1839859439 KFHWOWGOARRJEU-QGZVFWFLSA-N 401.536 -0.570 50 20 HBGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(C)=O)CCO2)C1 1839860999 ZNDRRJSLHXHVON-BBRMVZONSA-N 420.304 -0.248 50 20 HBGD CC(=O)N1c2ccc(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc2C[C@H]1C 728510300 WBQMDMRAPGAHLG-ZJUUUORDSA-N 418.497 -0.769 50 20 HBGD Cc1n[nH]cc1C(=O)NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 731879904 ZSAMFIATAZTKIQ-UHFFFAOYSA-N 411.415 -0.047 50 20 HBGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 734239368 NPHUTNZJBZRXNY-KRWDZBQOSA-N 412.447 -0.438 50 20 HBGD COc1ccccc1OCC(=O)NNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 746387603 NAOFNQXONRBFKZ-OAHLLOKOSA-N 420.466 -0.598 50 20 HBGD CC[C@@H](N=c1nn[nH]n1-c1ccccc1)C(=O)NNC(=O)C(=O)Nc1ccccn1 758831408 BEFRTOBNCSUSRO-CYBMUJFWSA-N 409.410 -0.544 50 20 HBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 764213540 ZEQUKXQINDDGCD-MRXNPFEDSA-N 413.482 -0.022 50 20 HBGD CCOc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1OC 764230686 JLGHFXIWYWNZRS-VIFPVBQESA-N 402.429 -0.883 50 20 HBGD CC(C)Oc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c(F)c1 764234497 YKECEPWCMWQTAZ-VIFPVBQESA-N 404.420 -0.364 50 20 HBGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cc(C(=O)OC)c(F)cc1F 764397662 BCRRUPVKFZUCCJ-QMMMGPOBSA-N 403.338 -0.111 50 20 HBGD COC(=O)c1ccc(C(F)(F)F)cc1NC(=O)C(=O)NNC(=O)[C@H]1COCCO1 764435873 YGFJLZIGQVGBRR-LLVKDONJSA-N 419.312 -0.007 50 20 HBGD O=C(NNC(=O)C1CC1)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 764613208 LICSXUJWVOAMES-GFCCVEGCSA-N 416.481 -0.285 50 20 HBGD CC(C)c1ccc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(O)c1 768291135 NQEXBIKBOMQQOJ-UHFFFAOYSA-N 414.422 -0.276 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc(F)cc(Cl)c2O)n(C)c1=O 769303276 UZYZVVSGRXBGHR-UHFFFAOYSA-N 424.776 -0.607 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3cccc(C(N)=O)n3)cc2)CC1 782016704 JJAIJOOYRTZYEP-UHFFFAOYSA-N 418.479 -0.127 50 20 HBGD COc1nc(Br)ccc1NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 789384042 JNPFQLDKCNXGBQ-ZCFIWIBFSA-N 410.250 -0.057 50 20 HBGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)NNC(=O)Cc1cccnc1 792907268 HEULXYXRRIALDW-UHFFFAOYSA-N 400.395 -0.088 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cc(F)c(N2CCOCC2)cc1F 806740177 QXMNOAFBGMAAEC-SECBINFHSA-N 421.426 -0.108 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2CCCS(=O)(=O)C2)c1 816810734 YEEQHSJOIWGXDT-LBPRGKRZSA-N 403.482 -0.477 50 20 HBGD COCCN1C[C@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1=O 914459021 XFQCODYKGGSUFK-CYBMUJFWSA-N 412.468 -0.807 50 20 HBGD CS(=O)(=O)N1CCC[C@@H]1C(=O)OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 916530507 GIJWJBGPKLFZLM-GFCCVEGCSA-N 414.396 -0.677 50 20 HBGD CC(C)=NO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1781401309 YLQNJSAUGWNBLS-YWZLYKJASA-N 417.271 -0.389 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H](O)CC1)CCO2 1783937678 NBKDKJXYCCXOQA-FTRWYGJKSA-N 410.515 -0.260 50 20 HBGD O=C(CC1(O)CCC1)N1CC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1784823916 GYBUFJCHASVGIY-FQEVSTJZSA-N 402.256 -0.885 50 20 HBGD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)no1 1786140857 OWRDOUOOFAIDCZ-ZVZYQTTQSA-N 413.239 -0.430 50 20 HBGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)n3cnnn3)C[C@@H]21 1791065017 PCVGQSMLRFSVGX-BNDIWNMDSA-N 415.292 -0.003 50 20 HBGD CCC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H]1NC(=O)NC1=O 1793942524 ZXPWNMKFOFYDGD-ZUDIRPEPSA-N 400.863 -0.418 50 20 HBGD CCCC(=O)N[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1798597846 YYDRJINBWGZXLP-NKGKWGDASA-N 415.299 -0.077 50 20 HBGD CC(=O)C(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810299472 QRKOQNAEQWUQQA-WMLDXEAASA-N 410.434 -0.011 50 20 HBGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](O)CCl)CC2)c1ccc(B(O)O)cc1 1815335497 ATYCMAOCPQLKEO-WCQYABFASA-N 423.687 -0.352 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)CCC(N)=O)sc2C1 1825187510 NHPCPYIRWRCKFE-JTQLQIEISA-N 410.500 -0.306 50 20 HBGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](N)CCC(N)=O)CCO2)C1 1835565801 PVFOGMNCWOQQAE-GDZNZVCISA-N 404.895 -0.947 50 20 HBGD CC(C)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cnnn3)CCO2)C1 1836142171 ROYXZYIRGRSMIJ-MRXNPFEDSA-N 400.867 -0.606 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)C3CC3)C2)C1 1837461520 XEHVTKCFOCONBZ-IBGZPJMESA-N 403.439 -0.835 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(=O)oc3)C2)C1 1840151090 VYZQWTPPPVWIDP-KDOFPFPSSA-N 414.842 -0.036 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCOC3=O)C2)C1 1840151334 YPBGHFBRSRTYGC-SUMWQHHRSA-N 419.862 -0.851 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc(C)[nH]n3)C2)C1 1840153369 MEKHDNYPJPFQEN-CRAIPNDOSA-N 414.890 -0.029 50 20 HBGD COC(=O)c1ccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)cn1 1843011405 ZUXHELBVHZZZBQ-UHFFFAOYSA-N 423.234 -0.321 50 20 HBGD O=C(Cc1ccc2ncnn2c1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014539 VPEWBOJWVVMTDQ-UHFFFAOYSA-N 419.250 -0.531 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)CC(F)(F)C(=O)O)C1 1843355271 OKMSJKZFMKTXFL-UHFFFAOYSA-N 411.365 -0.388 50 20 HBGD CCS(=O)(=O)N1CCC(NC(=O)NNC(=O)COc2ccccc2O)CC1 730822530 WCXVNCDGFTWRKF-UHFFFAOYSA-N 400.457 -0.085 50 20 HBGD C[C@H]1CN(CCC(=O)NNC(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)C[C@@H](C)O1 732262087 QXCAZUXCQBEAMW-TXEJJXNPSA-N 401.489 -0.475 50 20 HBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)N[C@H]1CC(=O)N(C2CC2)C1 750655302 NQAFHGXCBBJCBR-NSHDSACASA-N 408.484 -0.005 50 20 HBGD C[C@H]1CN(C(=O)Cn2cc(NC(=O)NNC(=O)Cc3cc[nH]n3)cn2)C[C@@H](C)O1 756839233 QGQRLESWHFKDGB-TXEJJXNPSA-N 404.431 -0.363 50 20 HBGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)COc2ccccc2OC)cn1C 763663628 LZFJQYRLBQFWLI-UHFFFAOYSA-N 404.379 -0.015 50 20 HBGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1 764426169 UBRDHILIDUVHJR-WFASDCNBSA-N 411.386 -0.115 50 20 HBGD Cc1ccc(C(=O)NNC(=O)CN2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1 772747693 QLAXSPOESPLVRL-UHFFFAOYSA-N 415.450 -0.951 50 20 HBGD C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)CNS(=O)(=O)c1cnn(C)c1 772968155 DLTVEZQJMPMKDA-SNVBAGLBSA-N 415.859 -0.033 50 20 HBGD COC(=O)CNC(=O)NNS(=O)(=O)c1cc(C(=O)OC)ccc1Br 779845058 NUSXCDUPGHHTRY-UHFFFAOYSA-N 424.229 -0.099 50 20 HBGD CN(CC(=O)NNc1ccccc1S(=O)(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 817053059 BBPJQWAVZKQINP-GFCCVEGCSA-N 404.514 -0.501 50 20 HBGD COc1c(F)cc(CC(=O)NNC(=O)NCC(F)(F)F)cc1S(N)(=O)=O 918708740 RWVFCVKPNNQUOF-UHFFFAOYSA-N 402.326 -0.083 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=S)NCC(=O)N(C)C)cc1 918716808 CUERFXXNMJOPAM-UHFFFAOYSA-N 401.514 -0.801 50 20 HBGD Cc1cc([N+](=O)[O-])c(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1C 919960814 INEDXXPIPYPTNF-JTQLQIEISA-N 406.442 -0.109 50 20 HBGD CC1(C)NC(=O)N(CCCNC(=O)NNC(=O)Cc2cn3ccccc3n2)C1=O 1342027274 IAKVCFKYBPDDAI-UHFFFAOYSA-N 401.427 -0.072 50 20 HBGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](Cl)COC)CCO2)C1 1778789221 APNCOWKSGFHHGK-HSMVNMDESA-N 407.851 -0.865 50 20 HBGD CCN(C)[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1782618644 SDWDRMYSXQUTIU-VBKZILBWSA-N 418.498 -0.531 50 20 HBGD CSCC[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783938140 VSPUINYDKWLLTI-KBXCAEBGSA-N 416.544 -0.697 50 20 HBGD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)on1 1786067607 LJYRLRQEUGCDJK-ZVZYQTTQSA-N 413.239 -0.430 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn(C)c3)C[C@@H]21 1791288702 NITFLIIUKKMKQB-BPUTZDHNSA-N 406.487 -0.614 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)[C@H](O)CCl 1792981423 ZDSVHYREXNQNCK-MCTJTXKHSA-N 403.863 -0.295 50 20 HBGD CCC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CC(=O)NC1=O)C2 1793445356 DUMNZSKROAFQAV-NWJSVONSSA-N 400.863 -0.465 50 20 HBGD O=C(Nc1cccnc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796191337 ADEFYTMABGPORZ-BCDXTJNWSA-N 422.250 -0.348 50 20 HBGD CC(C)O[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797751924 ZUFAGLZYRLPYDE-VWPFQQQWSA-N 419.482 -0.298 50 20 HBGD C[Si](C)(C)OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCS(C)(=O)=O)C2 1797956620 RUCOGPFBBSMHEZ-YWVIFJGQSA-N 406.577 -0.138 50 20 HBGD O=C(CN(CCO)CCO)NC[C@@H]1CCN(C(=O)[C@H](F)Cl)[C@@H]1c1cccnc1 1812713036 BXBYSBZPUDHXBE-UAGQMJEPSA-N 416.881 -0.092 50 20 HBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)Cn2cncn2)[nH]n1)c1cccc(B(O)O)c1 1817475215 MUSMMFQEYAFZLL-MRXNPFEDSA-N 423.242 -0.313 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2C[C@H](O)CN2)CC1 1831873952 HLZWZCCPULZKPH-BZSNNMDCSA-N 423.558 -0.298 50 20 HBGD Cc1nn(C)c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1F 1833702134 KXJCJKPSWSGTBY-SJCJKPOMSA-N 418.853 -0.463 50 20 HBGD CC/C=C(\C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939896 NBWDGCMTGOBLPA-CWFRJLDNSA-N 416.283 -0.207 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1839154398 MVPGLSRXKCJEFF-CLROSIBMSA-N 424.325 -0.598 50 20 HBGD C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1840173817 SJYXSCHWSQZKHC-IBGZPJMESA-N 403.439 -0.669 50 20 HBGD Cc1nc[nH]c1C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840184519 RVCGTEGDPCGDCV-IBGZPJMESA-N 422.486 -0.839 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2cc3cccnn3n2)C1 1844629504 IQNMGEOFQTUECF-UHFFFAOYSA-N 405.223 -0.460 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2nn[nH]c2C(F)(F)F)C1 1844806604 LOCZNVDPUNAUCU-UHFFFAOYSA-N 423.160 -0.366 50 20 HBGD Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)NNC(=O)C(=O)N3CCCC3)cc12 742060483 VYFSTESFSZWVKR-SNVBAGLBSA-N 406.468 -0.169 50 20 HBGD Cn1ncc2c(O)nc(CCC(=O)OCC(=O)NNC(=O)c3ccc(C#N)cc3)nc21 744453479 KMTKDGCHLFUSHT-UHFFFAOYSA-N 423.389 -0.122 50 20 HBGD Cc1cc(C(=O)NNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)n[nH]1 763118443 DOIBDJHIFPQIRV-RWMBFGLXSA-N 411.484 -0.411 50 20 HBGD CNC(=O)Cn1nc(NC(=O)C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)cc1C 763848644 DZUUNGUAQIUHNJ-LLVKDONJSA-N 420.401 -0.370 50 20 HBGD O=C(CO)NNC(=O)C(=O)Nc1cc(Br)cnc1OCC(F)(F)F 764421707 QVLZQUNCRHUGPX-UHFFFAOYSA-N 415.122 -0.137 50 20 HBGD CN1CCOc2ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c3ccco3)cc21 784003915 FLWATFJTRUXFNS-UHFFFAOYSA-N 401.379 -0.376 50 20 HBGD CCc1ccc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(O)c1 787127190 RIAIDWJOEBGZII-UHFFFAOYSA-N 400.395 -0.837 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NN=C3C(=O)OC[C@@H]3C)CC2)cc1 794920369 LBSPJYDFFNGGEJ-AWEZNQCLSA-N 408.480 -0.034 50 20 HBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1ccc(-n2cnnn2)cn1 857432129 ZJXWDRKCGLZQJM-UHFFFAOYSA-N 415.439 -0.266 50 20 HBGD Cn1nc(SCC(=O)NN=C2CCN(c3cnccn3)CC2)c(=O)n(C)c1=O 915957107 FAPUTCKPFJNUTB-UHFFFAOYSA-N 404.456 -0.866 50 20 HBGD CN(C)N(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@H]1CCS(=O)(=O)C1 1324348019 DULIUXLQGBPXQU-AWEZNQCLSA-N 414.509 -0.016 50 20 HBGD CCOC1CC(CNC(=O)NNc2nc(O)c3cnn(C)c3n2)(N2CCOCC2)C1 1326577733 OMMQBFKTXWLGAJ-UHFFFAOYSA-N 420.474 -0.035 50 20 HBGD CC(C)(O)CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779031597 UMQRCFSAYOQYLW-IBGZPJMESA-N 405.455 -0.710 50 20 HBGD C[Si](C)(C)OCC(=O)N1CC[C@@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCO2)C1 1779296587 XHEDCEITDSQTEQ-DYVFJYSZSA-N 400.552 -0.739 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)c1nc2ncccn2n1 1787937590 MVPNJAVGWICPBL-RVMXOQNASA-N 408.846 -0.683 50 20 HBGD CC(C)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1792782132 FKUZRAYKSDBTIL-NOHGZBONSA-N 400.863 -0.561 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC[C@@H]3CCC(=O)N3C1)C2)[C@H](O)CCl 1792978571 GHNOXNPYXIDJLZ-LQCKPJBFSA-N 413.902 -0.423 50 20 HBGD Cc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)n1 1794685470 GKWADSGQJNEYQR-CCWDJLKJSA-N 403.483 -0.034 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2c1CCC2 1799964747 CFCSZTPUTPEEJC-HBCWATKFSA-N 418.498 -0.595 50 20 HBGD Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)n[nH]1 1830730856 FYVBJNMMSGLGOF-RHSMWYFYSA-N 400.863 -0.683 50 20 HBGD C[C@@H](CC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834819476 OTYDZEMNESJUNU-LRDDRELGSA-N 420.304 -0.261 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1839236817 MIOTXOJMYMTNKS-HZPDHXFCSA-N 420.297 -0.029 50 20 HBGD C[C@](O)(C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnccc1C(=O)NN)C(F)(F)F 1847991177 YNHGZJSAYBWFQI-MKBNYLNASA-N 415.372 -0.186 50 20 HBGD Cc1noc(CNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)n1 727230292 IWCYIKHAFRQRPW-UHFFFAOYSA-N 410.460 -0.465 50 20 HBGD Cn1ccc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 727292625 FOMOPNPJPRYGIY-UHFFFAOYSA-N 421.479 -0.165 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(C)(C)NS(C)(=O)=O)c1 742033316 LFDUBESVYNXURZ-UHFFFAOYSA-N 406.486 -0.974 50 20 HBGD COC(=O)c1sc(S(=O)(=O)NNC(=O)[C@H]2COCCO2)c(C(=O)OC)c1C 745978606 NWYPHIRXFDZSPH-MRVPVSSYSA-N 422.437 -0.645 50 20 HBGD CCOc1cccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)n1 765319972 NIDPEFYSFHHHPL-UHFFFAOYSA-N 416.398 -0.920 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cccc(Cl)c2F)n(C)c1=O 765728818 STZDRIBTTFFEQJ-UHFFFAOYSA-N 408.777 -0.313 50 20 HBGD Cc1ccc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(O)c1C 768289392 ZAJFSRHNQKULRD-UHFFFAOYSA-N 400.395 -0.783 50 20 HBGD COCCCS(=O)(=O)NCC(=O)NNC(=O)c1cc(-c2cccs2)[nH]n1 770195040 GHPQNNLQFILEOL-UHFFFAOYSA-N 401.470 -0.145 50 20 HBGD CN(C)N(C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 792853711 GRENJSGOLSQYLI-LLVKDONJSA-N 420.469 -0.635 50 20 HBGD N#Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)ccc1OC(F)(F)F 799834651 HFCPAKBREVMUGK-NSHDSACASA-N 402.285 -0.042 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCCc3cn[nH]c3)nc2)CC1 812522605 MDSCFHAPYPXAQQ-UHFFFAOYSA-N 408.488 -0.390 50 20 HBGD O=C(CNC(=O)NNC(=O)CNC(=O)c1ccco1)NCCN1CCCCCC1 814294879 OXCKLHJAMCVETJ-UHFFFAOYSA-N 408.459 -0.668 50 20 HBGD CC[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCO2)C1 1783344057 YFQGOQQYFVISDZ-HWWQOWPSSA-N 419.320 -0.417 50 20 HBGD COCCOCCOCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1783664051 XEQOYDQNUWIGHZ-YJBOKZPZSA-N 422.906 -0.514 50 20 HBGD CC(C)OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788607845 OFMAPPCDODHWFP-JQFCIGGWSA-N 419.482 -0.297 50 20 HBGD CCc1oncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795732530 QVZQUSARMKLXBB-ZSBFGKGUSA-N 413.239 -0.566 50 20 HBGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CS(C)(=O)=O)C2 1800970251 AGDZTPINAHSMSO-QNSTZXKLSA-N 410.920 -0.490 50 20 HBGD O=C(c1ccn(C(F)F)n1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1838030992 VBKWXQDKSVPPGT-MLGOLLRUSA-N 422.816 -0.052 50 20 HBGD Cc1nn[nH]c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840032351 VXGDRGMSLAIKKZ-MEBBXXQBSA-N 416.276 -0.033 50 20 HBGD CC[C@H](NC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](Cl)COC)CCO2)C1 1840152291 DTYXCQIYFQVSNW-DCGLDWPTSA-N 420.894 -0.857 50 20 HBGD O=C(NCC(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1)c1ccco1 1843010964 AHKDQOLDOHKXPC-UHFFFAOYSA-N 411.223 -0.794 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@@H](COC(C)=O)OC(C)=O)C1 1844288144 JMFBFXHMHSWKKQ-ZIAGYGMSSA-N 404.847 -0.062 50 20 HBGD C[C@H](C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2)n1ccccc1=O 1844364490 IFWGNQWUWZWOAG-OAHLLOKOSA-N 409.251 -0.394 50 20 HBGD Cc1cc(NC(=O)[C@H](C)SCC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)no1 729276978 QGAAHZZUHUDNPA-BDAKNGLRSA-N 407.474 -0.872 50 20 HBGD Cn1nc(SCC(=O)NN=C2CCCC[C@H]2S(C)(=O)=O)c(=O)n(C)c1=O 741459181 UUCSJXZQYLMOGV-SNVBAGLBSA-N 403.486 -0.970 50 20 HBGD C[C@@H]1C[C@H](NC(=O)NNC(=O)CNC(=O)c2ccco2)C(=O)N1c1cnn(C)c1 743578605 XPCAETUDCBTMHM-PWSUYJOCSA-N 403.399 -0.733 50 20 HBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cn1C 745978686 KCXACKWYETVBQE-UHFFFAOYSA-N 422.467 -0.172 50 20 HBGD COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)NNC(=O)[C@@H]1COCCO1 755612081 LMASMLHLTNPVNZ-AWEZNQCLSA-N 414.440 -0.296 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 756775561 IWAZPSGONRAJBQ-SECBINFHSA-N 419.485 -0.782 50 20 HBGD CN1CCN(C(=O)NNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)CC1 788167213 YKVRYXVTCHAFLS-GFCCVEGCSA-N 401.514 -0.111 50 20 HBGD CC(C)NC(=O)C(=O)NNC(=O)[C@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1 920016936 ANXWFXIMBQJWMB-YYRKOSNBSA-N 415.450 -0.538 50 20 HBGD C[C@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccc1C(=O)NN)C2 1781989500 KQKYSZSAKXIMBP-IOHHAYIISA-N 405.455 -0.807 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc(=O)n1C)CCO2 1783936291 LXFHMMLSEAFXAC-HXUWFJFHSA-N 419.482 -0.798 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCS3)C[C@@H]21)c1ccc(B(O)O)cc1 1786981845 CFGZHSIACSSBKZ-DKIMLUQUSA-N 418.324 -0.145 50 20 HBGD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)ccn1 1788883407 DJTREUXWABZQKM-IHPCNDPISA-N 423.278 -0.023 50 20 HBGD O=C1COc2ccc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@H](O)CCl)cc2N1 1792981505 LEFIFAMIJDKUPO-DMVWFOPNSA-N 423.853 -0.180 50 20 HBGD CCC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)n2[nH]nnc2n1 1796108433 DUTXJJRMYYNICE-FBKDDSFISA-N 423.861 -0.577 50 20 HBGD CC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)n2[nH]nnc2n1 1796110214 TURXBZPFCWTSCW-BSTOTGJRSA-N 409.834 -0.967 50 20 HBGD CNC(=S)NCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CO[Si](C)(C)C 1797956979 UOELWFUHDPBEML-YWVIFJGQSA-N 416.620 -0.089 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCOC1=O)C2)[C@@H](F)Br 1799343128 OBOSQGDKAHUAEV-RBLKWDMZSA-N 408.224 -0.281 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1801011707 WBYUIHXWUJQLNV-ADCDIQAYSA-N 422.530 -0.579 50 20 HBGD CS(=O)(=O)CC(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809968286 PTGCIDSEOPZBRW-UHFFFAOYSA-N 422.312 -0.744 50 20 HBGD CC(C)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCNC3=N)C2)C1 1830358942 IMYHXVVRFDEQAD-GOSISDBHSA-N 415.922 -0.452 50 20 HBGD CC(=O)NCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1831687190 KVLWNPSIEIPBCJ-RDTXWAMCSA-N 419.906 -0.795 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1839145326 DRXFOHBAUICLGS-PXAZEXFGSA-N 414.894 -0.207 50 20 HBGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1839861460 ZNMWEUVRRYQFRS-BLLLJJGKSA-N 420.304 -0.261 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3csnn3)C2)C1 1840150166 GUJPNICDUAOMRO-XHDPSFHLSA-N 404.876 -0.138 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)n1cncn1)CCO2 1840421495 UOEHBSWDCQEUQU-ZQIUZPCESA-N 415.878 -0.451 50 20 HBGD O=C([C@@H](O)Cc1ccccc1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014894 NCKOAIODJWQOPZ-IBGZPJMESA-N 408.263 -0.213 50 20 HBGD COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)NNC(=O)N(C)C)c1OC 746008851 XWPJXHKQMUGNFA-UHFFFAOYSA-N 416.456 -0.359 50 20 HBGD O=C(NNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1)C(=O)N1CCCC1 748247569 QZKQEZFCFQSNHR-OAHLLOKOSA-N 408.480 0.000 50 20 HBGD CCS(=O)(=O)N1CCC(C(=O)NNC(=O)CNC(=O)c2cccs2)CC1 751208315 BUAFOVXLEWFUOB-UHFFFAOYSA-N 402.498 -0.313 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(N2CCOCC2)c(F)c1 756336716 YVZLBSBEKIGAHE-SNVBAGLBSA-N 403.436 -0.247 50 20 HBGD COC(=O)c1ccc(NNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)nc1 759737945 ILJIPCLUAPMUPM-SNVBAGLBSA-N 421.435 -0.223 50 20 HBGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)cc1 763822285 XWUVOJPIZFGJEA-UHFFFAOYSA-N 424.410 -0.054 50 20 HBGD CC(C)C[C@H](C)n1nccc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 764227636 OSNLLSWLHTWFOK-QWRGUYRKSA-N 402.477 -0.486 50 20 HBGD COc1ncc(NC(=O)C(=O)NNC(=O)C(F)(F)Oc2ccccc2)cc1C(N)=O 764380316 VKWXCRVZAKKBCQ-UHFFFAOYSA-N 423.332 -0.053 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2coc(C3CCC3)n2)n(C)c1=O 768070216 GDVMPHNHEUHQKO-UHFFFAOYSA-N 401.383 -0.850 50 20 HBGD CCOC(=O)c1[nH]c(C)c(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1C 768499280 KKODBOSKQKCVQU-SECBINFHSA-N 410.474 -0.945 50 20 HBGD CSCCNC(=S)NNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 769770307 UDCBXRACJCMQCT-UHFFFAOYSA-N 401.539 -0.027 50 20 HBGD CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1 770107436 JVNHUNYRPMUHRO-AWEZNQCLSA-N 410.452 -0.174 50 20 HBGD CCn1nnnc1-c1cccc(NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)c1 783424501 FDXPOIJHJZQHHE-MRXNPFEDSA-N 407.456 -0.504 50 20 HBGD CO[C@@H](C(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1)c1cnn(C)c1 798827213 VNWARECAYLGYNP-MRXNPFEDSA-N 409.468 -0.116 50 20 HBGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1nc(N)nc(N2CCOCC2)n1 816818158 SPWXUUONXIPVLY-JTQLQIEISA-N 405.390 -0.342 50 20 HBGD O=C(O)CNC(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1 916108533 IFTKQWDLJXZFLA-UHFFFAOYSA-N 421.387 -0.147 50 20 HBGD COc1cc(OC)cc(C(=O)NNC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)c1 919690021 MNCAFCSUELKPQZ-UHFFFAOYSA-N 415.406 -0.332 50 20 HBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)[C@@H]1C=CCN1 1777970257 BRSSUEKICOWVNH-WAOWUJCRSA-N 413.283 -0.978 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cnn4c3CCC4)C2)C1 1782313880 LOOAXPZQAOCIOD-OAQYLSRUSA-N 424.266 -0.734 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1cncnc1)CCO2 1783936230 JCTNVJPQZSQKCD-IBGZPJMESA-N 404.471 -0.778 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)C1=CCCS1 1784571566 XIOCEWCFGXIVCH-XIRDDKMYSA-N 416.308 -0.020 50 20 HBGD NC(=O)CC[C@H](N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1786802280 DVXBWEATGAYFCW-XGZQDADWSA-N 423.283 -0.751 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2 1801012584 QYDBVSOVPPTWKR-DJBIQUGXSA-N 423.283 -0.361 50 20 HBGD O=C1NC(=O)[C@@H](CC(=O)N2CCC3(CCCN(C(=O)[C@@H](O)CCl)C3)CC2)N1 1805517527 JFEIQIIDKHKOMA-NEPJUHHUSA-N 400.863 -0.585 50 20 HBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)Cn2cncn2)[nH]n1)c1cccc(B(O)O)c1 1817475212 MUSMMFQEYAFZLL-INIZCTEOSA-N 423.242 -0.313 50 20 HBGD NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1821951748 HTALIJZXMLSJAD-HNNXBMFYSA-N 413.243 -0.339 50 20 HBGD CC(C)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cnnn3)C2)C1 1830357833 LABPBYMJTGZAPG-MRXNPFEDSA-N 400.867 -0.606 50 20 HBGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CC(=O)NC)CCO2)C1 1831279206 GHMRGZLWUQARCD-MLGOLLRUSA-N 420.304 -0.248 50 20 HBGD C[C@@H](CC(N)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1831609652 QTXCTKLIZBXRSX-KSSFIOAISA-N 415.563 -0.194 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)C3(F)CCC3)C2)C1 1835934391 RHAUVUWVRXLICA-IBGZPJMESA-N 420.246 -0.671 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC=CO3)C2)C1 1840185658 RWVSAHXKJMKUAW-UZLBHIALSA-N 424.498 -0.492 50 20 HBGD Cn1nc(C(=O)NNC(=O)Cn2nnc3ccccc3c2=O)c2ccccc2c1=O 17193466 DMCXSQFHOFHZQL-UHFFFAOYSA-N 405.374 -0.500 50 20 HBGD O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NNC(=O)C1CCN(c2ncccn2)CC1 728845001 DZZQQMDBPGVHBY-NXNVCVFFSA-N 424.461 -0.353 50 20 HBGD N#Cc1ccccc1OCC(=O)NNC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 734685345 CZYYNQZSNAWSIT-QGZVFWFLSA-N 416.482 -0.326 50 20 HBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)CCCS(C)(=O)=O)CC1 735118396 UEZDNFMQMMBKGN-UHFFFAOYSA-N 419.529 -0.714 50 20 HBGD COc1ccc(C(=O)NNS(=O)(=O)c2ccccc2S(N)(=O)=O)c(OC)c1 741657584 SIWKITSXZDLHNI-UHFFFAOYSA-N 415.449 -0.026 50 20 HBGD C[C@H]1C[C@H](NC(=O)NNC(=O)CNC(=O)c2ccco2)C(=O)N1c1cnn(C)c1 743578604 XPCAETUDCBTMHM-JQWIXIFHSA-N 403.399 -0.733 50 20 HBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)CC[C@]2(C)CCC(=O)N2)CC1 753417147 RQTGIXXLWYSPTK-SFHVURJKSA-N 424.527 -0.090 50 20 HBGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cccc(C(N)=O)c2OC)cc1 763662495 WOBZQCFGXOTJFG-UHFFFAOYSA-N 416.390 -0.032 50 20 HBGD Cc1cc(C)c2c(c1)C(=NNC(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)C(=O)N2 764813256 WUJMZPUHYRNYFJ-UHFFFAOYSA-N 409.406 -0.477 50 20 HBGD COC(=O)[C@H]1CN(C(=O)C(=O)NNc2ccnc(N(C)C)n2)c2ccccc2O1 784970657 XVZRNYJVXVQHET-CYBMUJFWSA-N 400.395 -0.047 50 20 HBGD CCn1ncnc1CNC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 793455768 JIYBGGWEVQCHEZ-UHFFFAOYSA-N 409.472 -0.242 50 20 HBGD CCOC(C)(OCC)C(=O)NNC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F 806567335 GSGKNJXWNBSHMG-VIFPVBQESA-N 422.426 -0.072 50 20 HBGD COC(=O)C(C)(C)CS(=O)(=O)NNC(=O)c1csc(N2CCOCC2)n1 808070491 XFOJNDLASHMRKK-UHFFFAOYSA-N 406.486 -0.257 50 20 HBGD Cn1nc(SCC(=O)NNC(=S)Nc2cccc(F)c2F)c(=O)n(C)c1=O 1116364292 ZNTXEBNUWYBQFL-UHFFFAOYSA-N 416.435 -0.133 50 20 HBGD COc1c(F)cc(CC(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)cc1S(N)(=O)=O 1261222764 WQBKFXPOADVHKF-LLVKDONJSA-N 423.488 -0.484 50 20 HBGD CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)O1 1320041524 MRDZFYBQOFICFB-TZMCWYRMSA-N 412.468 -0.330 50 20 HBGD CN(C)C(=O)Cn1cc(C(=O)NNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)nn1 1321908622 BKGDEEXIOCQCTF-UHFFFAOYSA-N 423.474 -0.226 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CC[C@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1 1781234291 STECYUIYMXENNB-IRXDYDNUSA-N 418.277 -0.022 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1 1782754617 VRLRUUNWCOGMNH-ZUZCIYMTSA-N 420.260 -0.857 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)CCN3CCN(C)CC3)CCO2)C1 1783875943 KLARPIOPFDRHGN-VQIMIIECSA-N 416.950 -0.292 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1783981772 CREIEDQHDCDJER-HZMBPMFUSA-N 415.796 -0.251 50 20 HBGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)N(C)C 1792623434 JMKAINQIEJOKAH-NRWUCQMLSA-N 419.320 -0.122 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@]1(F)Cl)C2)c1cccc(B(O)O)c1 1795740774 KYMBRUIHLPTYFT-WNLTYMPLSA-N 410.638 -0.506 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Cl)C2)c1cc2n(n1)CCCNC2=O 1797323144 KCPLSTXQUQKUQV-RDBQEKCUSA-N 413.837 -0.246 50 20 HBGD CC(C)(C)OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797748700 VKSUMUGBKHYOGU-FVCICTRLSA-N 419.482 -0.297 50 20 HBGD Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)nc1 1797749576 FSTSZAQIICAVNC-ZSBFGKGUSA-N 424.461 -0.094 50 20 HBGD Cc1cnoc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797751681 OCSKIWQTUIWKQG-JJLQDPRZSA-N 414.422 -0.501 50 20 HBGD O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807373716 FAHNSXJKNXFXKF-OXJNMPFZSA-N 421.218 -0.831 50 20 HBGD CNC(=O)CC(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813069517 YSQFZATWOUCEQG-QRWLVFNGSA-N 418.498 -0.404 50 20 HBGD O=C([C@H](O)CCl)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)c3ccccc3)C2)C1 1830722579 DQUQMRJFLANYIE-GJYPPUQNSA-N 412.870 -0.224 50 20 HBGD O=C(Cn1cc(Cl)cn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830723513 OTAKRBQAAYWHJT-XJKSGUPXSA-N 421.281 -0.407 50 20 HBGD Cc1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Cl)C3)C2)c(=O)[nH]c1C 1833386975 MNHPFGBNKPZAHD-GUYCJALGSA-N 416.837 -0.009 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)C3CCC3)C2)C1 1835929160 CNMFYNHHCMUIHY-HXUWFJFHSA-N 402.256 -0.764 50 20 HBGD C[C@H](NC=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1839163280 JRCOENZTKLZZLR-APHBMKBZSA-N 410.298 -0.186 50 20 HBGD O=C(CC1CCC1)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840847055 QBMRMWXQHZVPAX-OAQYLSRUSA-N 416.283 -0.373 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)CN2CCCC2=O)C1 1842830550 GNLSWXPTHAACPZ-HYARGMPZSA-N 414.466 -0.054 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)[C@H]1CCC(=O)N1)C2 1843415762 JVAJBGNXMKGZOX-LVCXCXRVSA-N 400.439 -0.398 50 20 HBGD Cc1oc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1S(=O)(=O)N1CCCC1 729274268 HVPOBHWZWSUCBW-VIFPVBQESA-N 422.485 -0.929 50 20 HBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O 744447104 XUAIJMBKIFGKGD-LBPRGKRZSA-N 402.407 -0.253 50 20 HBGD COC(=O)COc1c(C)cc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1C 758041019 UOOXVLIQEXFJKK-LLVKDONJSA-N 401.441 -0.446 50 20 HBGD CCCCS(=O)(=O)NCC(=O)NNC(=O)c1nn(CC)c(=O)c2ccccc12 761136802 XVTMUKVYHKHOIL-UHFFFAOYSA-N 409.468 -0.103 50 20 HBGD Cc1nc2ccccn2c1C(=O)NNC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 761822795 DYDONIPPSXNMNG-UHFFFAOYSA-N 400.420 -0.099 50 20 HBGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)ccc1-n1cnnn1 763573905 WIUCUNGSQCZWHS-MRXNPFEDSA-N 423.389 -0.103 50 20 HBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)CN1CSCC1=O 765732754 KCSOOEYUVCSOCC-UHFFFAOYSA-N 405.480 -0.875 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1ccccc1O[C@H]1CCOC1 784004131 IOLGQWGNSUPUDQ-LBPRGKRZSA-N 416.390 -0.037 50 20 HBGD CC(C)NS(=O)(=O)CCNC(=O)NNC(=O)CNC(=O)OCc1ccccc1 792913646 NFCFQWKAUGDJCR-UHFFFAOYSA-N 415.472 -0.429 50 20 HBGD CNS(=O)(=O)[C@@H]1CCN(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1 793216054 VIPVOTFLQQIIGK-CYBMUJFWSA-N 413.456 -0.723 50 20 HBGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)NC[C@H]1CCS(=O)(=O)C1 916375491 YLSFJDVXAHHITQ-MRXNPFEDSA-N 423.539 -0.036 50 20 HBGD CCNC(=O)N(C)NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1OC 1116614657 LEAFGUAAEWMKHV-CYBMUJFWSA-N 414.484 -0.079 50 20 HBGD CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)NNC(=O)Cc2cccnc2)CC1 1258234714 GSQOWCAQSOIWPA-UHFFFAOYSA-N 412.468 -0.193 50 20 HBGD NC(=O)CC[C@H](N)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781330417 AJHOBKSALNLLRG-CHIMOYNISA-N 409.256 -0.900 50 20 HBGD C[C@](O)(CC(=O)O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1791279824 FNJPZMKQPQVKKP-VIMZNKNYSA-N 406.863 -0.818 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCCCN3C)C[C@@H]21 1791287956 HXHIKZIULAHKIB-FJIDUMEYSA-N 423.558 -0.177 50 20 HBGD COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792982872 ULWTXTUUEVHTSS-GTDBDLECSA-N 414.886 -0.069 50 20 HBGD CCc1oncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1794943954 LBJBMDRVRYUWLL-ZSBFGKGUSA-N 413.239 -0.566 50 20 HBGD Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)on1 1795733006 WJGPLTBGXHJDNM-CCWDJLKJSA-N 413.239 -0.891 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1cccnc1)C2)c1cccc(B(O)O)c1 1795737364 WCURBTWQAYDSGN-TWSPLFRISA-N 421.262 -0.322 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCCC1)C2)c1cccc(B(O)O)c1 1795741344 VHWOJHNNJIBNJD-XEMDLRDOSA-N 415.299 -0.945 50 20 HBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(O)nc1O 1796347727 QTAMQZLUWWJRAI-RBLKWDMZSA-N 400.819 -0.655 50 20 HBGD Cc1cn(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](F)Cl)c(=O)nc1O 1796370805 MICMQFSSPUOWON-LFSVMHDDSA-N 402.810 -0.619 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cn2cccnc2n1)c1cccc(B(O)O)c1 1798042733 MUOAJCUGGBYUSO-BJWYYQGGSA-N 419.250 -0.025 50 20 HBGD Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c(C)n1 1798377215 VCCYQWVFPVNJGM-XEMDLRDOSA-N 423.278 -0.105 50 20 HBGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)N(C)C)C2 1800753871 AGRIDFFCFUAKNI-KQXIARHKSA-N 405.293 -0.369 50 20 HBGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)C1CC(O)C1)CC2)c1cccc(B(O)O)c1 1815349980 BOZYUNZPSVLGKC-QRMWWUJWSA-N 415.280 -0.180 50 20 HBGD CCN1CCC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)CC1 1830738702 RSLLWXUXGKTJAY-VQIMIIECSA-N 417.934 -0.226 50 20 HBGD C[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)CC(N)=O)CCO2 1831615996 OQYXIFRBCITXHH-MQIPJXDCSA-N 420.304 -0.262 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1840030662 RUEHKTIXTZUAOW-PGUXBMHVSA-N 420.260 -0.665 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)C2 1846365109 AQYCTQVJGOZGQM-HUUCEWRRSA-N 411.890 -0.086 50 20 HBGD O=C(CCBr)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCS(=O)(=O)CC1 1848070648 SHQDJJZXXLENBH-STQMWFEESA-N 422.345 -0.296 50 20 HBGD CNC(=O)c1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cn1 728511167 BJUNPGJBHLXLGN-UHFFFAOYSA-N 405.436 -0.234 50 20 HBGD Cc1nc(S(=O)(=O)NCCC(=O)NNc2ccccc2S(C)(=O)=O)cn1C 732303781 KVZQEBJHEBDMMZ-UHFFFAOYSA-N 415.497 -0.056 50 20 HBGD CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 734124224 XXFQDHVDRIQDNJ-VXGBXAGGSA-N 410.518 -0.902 50 20 HBGD CC(C)CNC(=O)N1CCC[C@H](C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)C1 741213514 PIGJKQOFGUHFLK-STQMWFEESA-N 403.505 -0.419 50 20 HBGD COc1ccc(N2CCN(CCNC(=O)NNC(=O)C(=O)NC3CC3)CC2)cc1 743363573 UIEAKDIQXDPTDM-UHFFFAOYSA-N 404.471 -0.574 50 20 HBGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)CNC(=O)Cc2ccc(O)cc2)c1 744925167 DXJHOIJKTDVHIE-UHFFFAOYSA-N 410.386 -0.073 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cccc(N2C(=O)CN(C)C2=O)c1 755990815 HCZPVVXOXXSXLE-SECBINFHSA-N 412.428 -0.825 50 20 HBGD C[C@H](CC(=O)NNc1ccc(C(N)=O)nn1)/N=C1/NS(=O)(=O)c2ccccc21 757405405 MPJMEJRFYDKIDA-SECBINFHSA-N 403.424 -0.464 50 20 HBGD N#Cc1cccc(C(=O)NNC(=O)CN(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c1 760887641 GRUVDUZSGUCGQV-SJORKVTESA-N 420.491 -0.013 50 20 HBGD CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)NNC(=O)c1cnn(C)c1 761271453 MGPIKHLCDBZWGD-UHFFFAOYSA-N 417.469 -0.186 50 20 HBGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)cc1Br 764424679 KIULITBMUKMBQQ-LLVKDONJSA-N 402.201 -0.041 50 20 HBGD CNS(=O)(=O)c1cccc(NC(=O)CNS(=O)(=O)CBr)c1 782434054 HJQBZZWNPRBGPI-UHFFFAOYSA-N 400.276 -0.195 50 20 HBGD C[C@H]1CN(CCC(=O)NNC(=O)Cn2c(=O)nc(O)c3ccccc32)C[C@@H](C)O1 793101883 LHKIIBDOPUTIEQ-BETUJISGSA-N 403.439 -0.251 50 20 HBGD COc1cc2c(cc1S(=O)(=O)NNC(=O)CNC(=O)c1ccco1)OCC(=O)N2 797430233 UREPMQBFWPRCTO-UHFFFAOYSA-N 424.391 -0.641 50 20 HBGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NCCS(=O)(=O)N(C)C)nc1 812692900 DFDGEIAGPZOFDN-UHFFFAOYSA-N 408.506 -0.714 50 20 HBGD CCN1CCOC[C@H]1C(=O)NNC(=O)CN1CCN(Cc2ccc(C)cc2)CC1 1120697970 DEGLIWWHZATSAI-IBGZPJMESA-N 403.527 -0.019 50 20 HBGD C[C@@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)CN3CCN(C)CC3)C2)C1 1778264329 VAQBLEQNECCZLA-PBHICJAKSA-N 417.348 -0.153 50 20 HBGD C[C@H](Br)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCO2 1783533844 KRFJORLBWUZUNM-JGGQBBKZSA-N 420.304 -0.750 50 20 HBGD Cc1nccn1[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1784638141 BIDSGDBNFNAKNA-MGPUTAFESA-N 420.514 -0.045 50 20 HBGD CCC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]2C1 1786800392 TUQBEWKQWSHSHQ-RMEBNNNOSA-N 402.923 -0.034 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cncs1 1794915373 SFKDQJCYRUIEFJ-QHBPRCKVSA-N 416.463 -0.341 50 20 HBGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Cl)C2)[C@H]1SC(=N)NC1=O 1796422984 GRLLLDZVVYXHKC-IMHINIOTSA-N 406.867 -0.087 50 20 HBGD CO/C=C(\C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797751566 HQAZYQFWYMSVQD-XMQLCBBWSA-N 403.439 -0.562 50 20 HBGD O=C([C@@H](O)c1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830722583 DQUQMRJFLANYIE-TXPKVOOTSA-N 412.870 -0.224 50 20 HBGD C/C=C(\C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839818724 COIVEBOVEQXMFJ-IAILITGJSA-N 402.256 -0.597 50 20 HBGD COC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)C1 1841340597 FPARHVMIKJIEHU-JKSUJKDBSA-N 414.267 -0.227 50 20 HBGD COCCCNC(=O)NNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 737818355 GCBCTBAXVZEEJA-UHFFFAOYSA-N 403.417 -0.418 50 20 HBGD C[C@H](C(=O)NNC(=O)CNC(=O)c1cccs1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 744360629 DYRVDBIYHNIGJS-BEDWUZKKSA-N 420.447 -0.824 50 20 HBGD COc1ccccc1CC(=O)NNC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 754422999 IEKGZADQRKYVRL-UHFFFAOYSA-N 405.432 -0.042 50 20 HBGD CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NNc2ncc(F)cn2)s1 762090037 DDBHESUJQYKHOE-UHFFFAOYSA-N 402.433 -0.265 50 20 HBGD CC(C)N(C)c1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1F 764229697 BSKCFKVCHSOZSR-SNVBAGLBSA-N 417.463 -0.306 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)/C=C/c2ccccc2C#N)n(C)c1=O 765729117 BDFCUYHYFCOGAT-BQYQJAHWSA-N 407.390 -0.834 50 20 HBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 772138327 DKHUESWXSVTKMA-SNVBAGLBSA-N 416.412 -0.296 50 20 HBGD Cc1cccc(C(=O)NNC(=O)CN2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)c1 779623209 ZLKRJJZDGUEXTH-KRWDZBQOSA-N 424.523 -0.118 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@H]2Cc3ccc(F)cc32)n(C)c1=O 793674473 JWVORPDDTCKCAM-LBPRGKRZSA-N 400.370 -0.940 50 20 HBGD CCOC(=O)Cc1cccc(S(=O)(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 795290368 LQODPWZMMNNGMP-LBPRGKRZSA-N 404.466 -0.464 50 20 HBGD CCn1nc(C(=O)NNC(=O)NC[C@@H]2CN(C)CCN2C)c2ccccc2c1=O 1318714391 AACMYUFSOZLRSL-CYBMUJFWSA-N 401.471 -0.394 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(CCN(C(=O)Cn3ccncc3=O)C2)C1 1782662950 XVIYXNWEJFZHEO-GOSISDBHSA-N 408.531 -0.075 50 20 HBGD C[C@@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3ccncc3=O)C2)C1 1782664984 VRNLJKLFOIDIFU-WBMJQRKESA-N 413.272 -0.143 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccncc1O)CCO2 1783936223 SFCBKJPJDKKTHM-IBGZPJMESA-N 405.455 -0.396 50 20 HBGD CCOC(=O)N[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)Br)C2 1797588703 VSCFMUXEFJBZQE-XPORZQOISA-N 422.276 -0.576 50 20 HBGD CCNC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](Cl)COC)C2 1797698044 WLLIIRDACVNZAO-HPCHECBXSA-N 404.895 -0.463 50 20 HBGD O=C1NC(=O)[C@H](CC(=O)N2CCCC3(CCN(C(=O)[C@H](O)CCl)CC3)C2)N1 1806842494 PQLWETHYRTYTNZ-NWDGAFQWSA-N 400.863 -0.585 50 20 HBGD O=C(NC[C@@H]1CCN(C(=O)[C@@H]2C=CCN2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807363530 OXKFGDNDFRAOEL-YSIASYRMSA-N 420.278 -0.391 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)CCC(N)=O)[C@@H]1c1cccnc1 1813075172 XQENQIPQEHIZQU-FOIQADDNSA-N 418.498 -0.274 50 20 HBGD COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cn1 1830725103 DRGCLTNKIMKDSE-KSSFIOAISA-N 413.858 -0.240 50 20 HBGD O=C(c1cnnc(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830726509 YZBMPDDYLOXPRZ-LRDDRELGSA-N 419.265 -0.200 50 20 HBGD COCCOCC(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1834565514 WOMGLVKGQVTCKS-INIZCTEOSA-N 405.923 -0.179 50 20 HBGD CC(C)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)CC[C@H](N)C(N)=O)CCO2)C1 1835736845 XAUMPAQNPAPUPF-SCLBCKFNSA-N 418.922 -0.699 50 20 HBGD O=C(Cn1cc(Cl)cn1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1835969514 MYYWHORVOJLFAQ-CZUORRHYSA-N 421.281 -0.407 50 20 HBGD O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1838825029 DTVTVLYAGPQVPJ-MLGOLLRUSA-N 416.818 -0.407 50 20 HBGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)COCCO)C2)C1 1839965849 NGKZEJACMWAGAX-BBRMVZONSA-N 423.304 -0.375 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2c(O)cc(O)cc2O)C1 1845422394 YHEYJYXVLUXUFF-UHFFFAOYSA-N 406.439 -0.007 50 20 HBGD CC[C@@H](Br)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CC(=O)NC1=O 1848070627 LCCCMWNLFPXBEA-VWYCJHECSA-N 401.261 -0.087 50 20 HBGD CN1CCN(Cc2cccc(C(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)c2)CC1 746163542 ONPOHCIBOJCEGC-MRXNPFEDSA-N 409.512 -0.435 50 20 HBGD CC[C@@H](NC(=O)NNC(=O)C1CCN(c2ncccn2)CC1)C(=O)N1CCOCC1 753047947 YVUTWAJJBJQGGW-OAHLLOKOSA-N 419.486 -0.339 50 20 HBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CNS(=O)(=O)CC)c1 758044439 WRUHYNRWKIOMAC-UHFFFAOYSA-N 420.513 -0.583 50 20 HBGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cnn(CC(=O)N(C)C)c2)cc1 763811759 MHIPLEJZUREJFZ-UHFFFAOYSA-N 402.411 -0.555 50 20 HBGD C#CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)CNC(=O)c2cccnc2)cc1 763818263 DOTXKOAEKYECOB-UHFFFAOYSA-N 415.431 -0.816 50 20 HBGD COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)CC(C)C)cc1 763888277 ITHMYMMCOHAMRR-UHFFFAOYSA-N 400.457 -0.257 50 20 HBGD CON(C)C(=O)[C@H](CCSC)NC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 765632781 HIOFOMSQTWOJAN-ZDUSSCGKSA-N 422.471 -0.252 50 20 HBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)NCCOC)cc1 771969558 HBHPYFHTQNYHSE-LLVKDONJSA-N 401.441 -0.286 50 20 HBGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)o1 794063411 FJNPZOKFVYAEHR-UHFFFAOYSA-N 410.408 -0.125 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 801107954 APDXLPRWBQCLGI-VDERGJSUSA-N 414.418 -0.367 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@](C)(O)C3CC3)CC2)cc1 804457717 CBISQHHOSKDANI-LJQANCHMSA-N 424.523 -0.390 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cnn(CCN(C)C)c1-c1ccccc1 806788220 QUWFQOXLVGHQSF-ZDUSSCGKSA-N 422.511 -0.190 50 20 HBGD CC(C)(C)OC(=O)N[C@@H](C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)C(F)(F)F 813421160 QZCVWUKOVWBPBB-YUMQZZPRSA-N 418.394 -0.041 50 20 HBGD O=C(CCCN1C(=O)c2ccccc2C1=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919887045 YQEKXJJSGAHTHL-NSHDSACASA-N 408.436 -0.420 50 20 HBGD CC(C)NC(=O)CN(C)CC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 920404963 OFZQROZQGPJFOO-UHFFFAOYSA-N 418.542 -0.198 50 20 HBGD COCCNS(=O)(=O)c1cccc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)c1 1324348652 NPJUHZXZJGEIEI-AWEZNQCLSA-N 419.525 -0.283 50 20 HBGD Cc1n[nH]c(C)c1C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1779399968 IRODPEIJTHBYJO-IBGZPJMESA-N 406.487 -0.157 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnncc3C(=O)O)C2)C1 1779527921 JZHWQMJJPATJPZ-DYVFJYSZSA-N 412.830 -0.128 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1780419611 QSHZKCUCEQJKRT-GOSISDBHSA-N 422.442 -0.261 50 20 HBGD CC(=O)C[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1783828553 CLMAMWKAETVONQ-RNODOKPDSA-N 417.466 -0.256 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CSc3nc[nH]n3)C[C@@H]21)[C@@H](O)CCl 1784096299 VFQXRVPUBVQIFB-BJDJZHNGSA-N 403.892 -0.524 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3csnn3)C[C@@H]21 1791288101 XTWDTAOKRVHGNE-OBJOEFQTSA-N 410.500 -0.496 50 20 HBGD O=C(CSc1nc[nH]n1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796190524 HXIVUYJWLREQNO-QDMKHBRRSA-N 415.284 -0.471 50 20 HBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801012282 SFGAUDXPVVXOLS-ZWUHOBOKSA-N 404.895 -0.797 50 20 HBGD CS(=O)(=O)CC(=O)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@H]1c1cccnc1 1806763362 COBVPGGESPUCOZ-GUTXKFCHSA-N 403.888 -0.268 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)CNC(N)=O)[C@@H]1c1cccnc1 1813075088 YGGVILRGFZAFIQ-KBXCAEBGSA-N 419.486 -0.871 50 20 HBGD C[C@@H](NC=O)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815360031 JDLKAHXEQNZCGK-ZWNOBZJWSA-N 416.268 -0.817 50 20 HBGD O=C1CN(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@H](O)CCl)[nH]n2)C(=O)N1 1815664302 RJZHHVXMQJAKEL-GHMZBOCLSA-N 412.834 -0.447 50 20 HBGD CNC(=O)CC(=O)N[C@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826083083 JSZUPIWLUOSLOV-JTQLQIEISA-N 410.500 -0.436 50 20 HBGD O=C(CN1CCSCC1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1829705297 DYOQWJXSASDTLV-PBHICJAKSA-N 421.947 -0.909 50 20 HBGD CN(C)C(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1835431385 MMAZGQUXTZMMOV-QGZVFWFLSA-N 401.536 -0.618 50 20 HBGD O=C(Cn1ccnn1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199578 QJKFEVSKHRGPSV-JSGCOSHPSA-N 420.239 -0.575 50 20 HBGD O=C(/C=N/O[C@H]1CCCCO1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011463 GBABLCSRASCNPU-YPKZHZFPSA-N 415.255 -0.288 50 20 HBGD CC[C@H](Br)C(=O)N1CCCC12CN(C(=O)CN1CC(=O)NC1=O)C2 1846069130 JUCQUUKTZDLXTJ-JTQLQIEISA-N 401.261 -0.085 50 20 HBGD Cn1cc(S(=O)(=O)NCC(=O)NNc2ccc(S(=O)(=O)C(F)F)cc2)cn1 728972258 JPEPGMNZIOZUJJ-UHFFFAOYSA-N 423.423 -0.162 50 20 HBGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)c1cc(S(N)(=O)=O)ccc1F 734263154 XUQPDXJGGHDCDZ-UHFFFAOYSA-N 419.435 -0.058 50 20 HBGD COc1ncnc(N)c1C=NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 747624611 OSKSDGLGKYPATP-UHFFFAOYSA-N 420.451 -0.148 50 20 HBGD O=C(Cn1cc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cn1)NC1CCCC1 756795184 OTKXLLHQCCYPRH-NSHDSACASA-N 412.472 -0.471 50 20 HBGD CCn1c(S)nc2cc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)ccc2c1=O 758049395 ZJMSMVWALVDDTN-QMMMGPOBSA-N 413.481 -0.596 50 20 HBGD O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)NNC(=O)CNC(=O)c1cccnc1 763823700 DXIZAWDVIXZIME-OKILXGFUSA-N 401.423 -0.476 50 20 HBGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 764344432 CIPKEVWANWYVTO-OAHLLOKOSA-N 409.402 -0.522 50 20 HBGD Cc1cc(Cl)cc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 765732493 WBNUOWRRJPEXDY-UHFFFAOYSA-N 404.814 -0.143 50 20 HBGD Cc1noc(C)c1S(=O)(=O)NCC(=O)O[C@H](C)C(=O)NNC(=O)CC(C)C 771912444 QLRXQSBMXCXARA-LLVKDONJSA-N 404.445 -0.305 50 20 HBGD COC(=O)c1ccc(OC(C)C)c(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)c1 784000252 SKSFDBJKOKVOJY-UHFFFAOYSA-N 420.422 -0.031 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)cc1 801106786 HFHJLCWFBBBJOH-UHFFFAOYSA-N 410.390 -0.660 50 20 HBGD Cc1c(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)nnn1-c1cccc([N+](=O)[O-])c1 818852980 DGQOMFMFPCBIIK-SNVBAGLBSA-N 408.396 -0.320 50 20 HBGD CS(=O)(=O)CC[C@H](C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1 1321422038 YQRWKNWTOCZMDY-KBPBESRZSA-N 417.509 -0.278 50 20 HBGD CN1CCN(C2(C(=O)N3CC[C@]4(CN(C(=O)[C@H](O)CCl)CCO4)C3)CC2)CC1 1781106364 QAINKRXQCGBTMC-QAPCUYQASA-N 414.934 -0.804 50 20 HBGD C[C@H](Br)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)n1cnnn1)CCO2 1783540369 VEDPCKMIAAQAGA-COPLHBTASA-N 401.265 -0.153 50 20 HBGD Cc1cc(CC(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)no1 1783938114 UPHUGGHAKBDNKG-IBGZPJMESA-N 407.471 -0.272 50 20 HBGD CS(=O)(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21 1786645150 ONPIHSKMYTYOOG-SRVKXCTJSA-N 411.318 -0.204 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccnnc3O)[C@H]2C1 1789118306 KBAYXNCYUWYFJY-QEJZJMRPSA-N 420.470 -0.852 50 20 HBGD O=C(CN1CCCCC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1791181386 AZQFRVGLRDFSLQ-AJNGGQMLSA-N 401.891 -0.422 50 20 HBGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1791251419 FVDPPYVEZQNXLJ-LLLHUVSDSA-N 424.690 -0.787 50 20 HBGD COc1ccc([C@@H](O)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)cc1 1792718156 XSOIIYKBNXCWSH-QMPXSYISSA-N 412.870 -0.082 50 20 HBGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)n1ccnc1 1793141814 YHMZCEIYFOZDCA-NYCLONFESA-N 412.255 -0.973 50 20 HBGD CC(C)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)n2[nH]cnc2n1 1795726721 BBRGYQNKTCMYJL-GNXNZQSNSA-N 422.873 -0.114 50 20 HBGD O=C(CN1CCOC1=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796187893 JOVNKECKPTZANV-MUJYYYPQSA-N 401.228 -0.930 50 20 HBGD O=C(Cc1ccc2ncnn2c1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1799081635 OJDZTLWBJYHNFB-LOUJCGABSA-N 407.858 -0.539 50 20 HBGD CC(=O)NCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1821944483 RWOKKLVPOGAGFD-MRXNPFEDSA-N 413.243 -0.469 50 20 HBGD Cc1nnc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)s1 1830722604 GBSICMCVNDWKJM-BLLLJJGKSA-N 418.903 -0.555 50 20 HBGD O=C(Cc1ccc(F)cn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830723567 PXXXJQBOOYDHMU-CRAIPNDOSA-N 415.849 -0.181 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1)CCO2 1835123951 XYJQUGNTKVMUST-KSSFIOAISA-N 413.547 -0.427 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839155492 VJVGPMZRMNJZPS-HOTGVXAUSA-N 407.250 -0.233 50 20 HBGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)n[nH]3)C2)C1 1840031763 BRWDBDOMVTWRRO-MEBBXXQBSA-N 417.260 -0.031 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccco3)C2)C1 1840183437 FDZGUUZVOYRMME-LJQANCHMSA-N 408.455 -0.277 50 20 HBGD C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)CCl)C2)C1)n1cnnn1 1840474515 VGOMCGONVIHXML-GUYCJALGSA-N 414.894 -0.045 50 20 HBGD O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)NCCCN1CCCS1(=O)=O 726276373 DCLVRRPLMZGTIR-UHFFFAOYSA-N 415.428 -0.270 50 20 HBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNC(=O)CN(C)C)c1 727761554 OEFRZKRTSYZSSK-UHFFFAOYSA-N 413.500 -0.844 50 20 HBGD CCN(CC)CC(=O)N1CCN(CC(=O)NNC(=O)Cc2nc(C)cs2)CC1 728930567 XUJKREQYJUQLOQ-UHFFFAOYSA-N 410.544 -0.373 50 20 HBGD O=C(NNC(=O)C(=O)N1CCCC1)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 745848749 XHHNFRJHINLLPO-AWEZNQCLSA-N 403.439 -0.381 50 20 HBGD O=C(CCNC(=O)NNC(=O)[C@@H]1Cc2ccccc2O1)N[C@H]1CCS(=O)(=O)C1 748330941 SYIRCVOLONGDIY-JSGCOSHPSA-N 410.452 -0.986 50 20 HBGD NS(=O)(=O)c1cc(C(=O)NNC(=O)C(=O)N2CCCC2)ccc1Br 748360956 XAUFAFXHUZOYID-UHFFFAOYSA-N 419.257 -0.520 50 20 HBGD C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 755039026 PCIFWLLHWQIRKA-IINYFYTJSA-N 409.424 -0.926 50 20 HBGD Cn1nnc2cc(C(=O)N3CCN(S(=O)(=O)CBr)CC3)cnc21 755894698 SUEWILMVRLWDFU-UHFFFAOYSA-N 403.262 -0.197 50 20 HBGD CCNS(=O)(=O)c1ccc(CNC(=O)NNC(=O)[C@@H](C)OCCOC)cc1 764375127 VPHHQJZVAGQLOH-GFCCVEGCSA-N 402.473 -0.133 50 20 HBGD COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NNc2ccc(C(N)=O)nn2)C1=O 771617393 UDXDARYYPHUTEP-GOSISDBHSA-N 413.394 -0.506 50 20 HBGD O=C(NNc1ncccn1)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 773724210 MJASDFLZMBUCNF-OAHLLOKOSA-N 412.406 -0.427 50 20 HBGD O=C(CO)NNC(=O)c1cc(I)ccc1N1CCOCC1 779404365 SCVLREKGUCAGPW-UHFFFAOYSA-N 405.192 -0.119 50 20 HBGD COCCN(CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 779908163 YRMOIHJUPQQFQO-CQSZACIVSA-N 414.440 -0.509 50 20 HBGD COC(=O)c1cccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)c1C 784002558 GXJBLAOJTZWCGE-UHFFFAOYSA-N 402.363 -0.109 50 20 HBGD COC(=O)c1ccc(OC)cc1NC(=O)C(=O)NNC(=O)CNC(=O)c1ccco1 784004771 UFXBTYOYKNQOGH-UHFFFAOYSA-N 418.362 -0.409 50 20 HBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 785657459 GNHAIPQWBKAPKD-HUUCEWRRSA-N 412.487 -0.708 50 20 HBGD CCN(C)C(=O)[C@@H](C)NC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 788889249 FTUMZFOHXPIQLR-CYBMUJFWSA-N 413.500 -0.187 50 20 HBGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)CNC(=O)c2ccco2)cc1OC 799121684 DCHZBVPBRGMJIN-UHFFFAOYSA-N 411.392 -0.186 50 20 HBGD Cn1cnc2c1c(=O)n(CC(=O)NNC(=O)Nc1ccc3c(c1)OCO3)c(=O)n2C 802099755 NZBBPQQUQMTLPC-UHFFFAOYSA-N 415.366 -0.985 50 20 HBGD COC(=O)c1ccc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)n1C 815401053 KCIHICVQWBCWRV-HNNXBMFYSA-N 417.374 -0.044 50 20 HBGD Cn1c(=O)c2cc(C(=O)NNC(=O)[C@@H]3COc4ccccc4O3)cnc2n(C)c1=O 861741815 ZRUVQPAOLMNZJT-AWEZNQCLSA-N 411.374 -0.767 50 20 HBGD O=C(COc1ccccc1F)NNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 914829778 UFXGYWRNAJEPEY-RYUDHWBXSA-N 413.427 -0.613 50 20 HBGD CC(C)[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1784533786 NYTQOCNKJUVNIP-LEUOFYLZSA-N 420.340 -0.086 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@]3(F)Cl)C[C@@H]21)c1ccc(B(O)O)cc1 1786983911 VZIYPNKQOYXHED-DOQDNZIXSA-N 424.665 -0.116 50 20 HBGD Cc1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)s1 1794547639 VFKKZHHBKGEUEY-MIFYACCESA-N 415.280 -0.352 50 20 HBGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Cl)C2)[C@@H]1SC(=N)NC1=O 1796422982 GRLLLDZVVYXHKC-CQZONYGUSA-N 406.867 -0.087 50 20 HBGD C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797748682 SLTQWIOMZRDGLR-ZJOBFFGXSA-N 417.466 -0.521 50 20 HBGD CC(C)(C)OC(=O)N[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Cl)C2 1799681068 MYIYONWRZIVCIJ-FBUUZDRASA-N 409.842 -0.047 50 20 HBGD COC[C@@H](NC(C)=O)C(=O)N1CCC2(CCCN(C(=O)[C@H](O)CCl)C2)CC1 1805523351 ULOASTYIPJKKTL-HUUCEWRRSA-N 403.907 -0.032 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2nc[nH]n2)[C@@H]1c1cccnc1 1807876856 ZDDPFSXMDSQDEF-PBHICJAKSA-N 414.470 -0.108 50 20 HBGD Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)n(C)n1 1830725715 RIUDSYQCKCCPGJ-WMLDXEAASA-N 400.863 -0.602 50 20 HBGD O=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1)c1ccccc1 1834702610 ZLSHYJLABSRGBT-KXBFYZLASA-N 410.854 -0.075 50 20 HBGD O=C(c1cccc(F)n1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837902045 CPGBHZWFPQIJIC-GUYCJALGSA-N 401.822 -0.110 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(CO)on3)CCO2)C1 1838805598 PCUHHOGIKOLCQK-CXAGYDPISA-N 417.846 -0.509 50 20 HBGD O=C([C@H](F)Br)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1 1839200328 FZHKXGQPTLBHPW-OZTPJHRESA-N 409.252 -0.096 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccccc2-n2cccc2)n(C)c1=O 15269083 MDIMBCYSJFSEMR-UHFFFAOYSA-N 421.417 -0.314 50 20 HBGD CN(C)CC(=O)NNC(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 727761401 AEKALPBWGNWRKU-UHFFFAOYSA-N 412.390 -0.037 50 20 HBGD CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)NNC(=O)COc2ccc(C#N)cc2)C1=O 753016463 IWKFSTLZRRCQJD-BFUOFWGJSA-N 414.422 -0.012 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1 755662347 JGZDGSHPTRBVSS-SNVBAGLBSA-N 411.440 -0.574 50 20 HBGD C[C@@H](NC(=O)c1n[nH]c2ccccc12)C(=O)NNC(=O)CNC(=O)c1cccnc1 764344950 MJWGDZKXTKGFQE-LLVKDONJSA-N 409.406 -0.346 50 20 HBGD CCc1cc(O)nc(-c2cccc(NC(=O)C(=O)NNC(=O)[C@H]3COCCO3)c2)n1 764425676 QJHOTMXAXBTZJD-CQSZACIVSA-N 415.406 -0.087 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cnc(N(C)C)cn2)cc1 779646557 RHRHNJWDVBCJKK-UHFFFAOYSA-N 406.468 -0.067 50 20 HBGD CN1CCN(C(=O)NNC(=O)c2cc(S(=O)(=O)N3CCCCC3)cn2C)CC1 788169059 IESYZCGFNJHTRL-UHFFFAOYSA-N 412.516 -0.199 50 20 HBGD CS(=O)(=O)C1(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 792017236 ZXZNMQPLTWOKRJ-UHFFFAOYSA-N 415.493 -0.191 50 20 HBGD CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1cnnn1-c1ccccc1 807975724 FNKMPNKEJYZVEB-UHFFFAOYSA-N 421.421 -0.445 50 20 HBGD CC(=O)NNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 825297175 MWTFMAHRGCZRMZ-LLVKDONJSA-N 410.374 -0.215 50 20 HBGD CCn1nc(C(=O)NNC(=O)NCCNS(=O)(=O)CC)c2ccccc2c1=O 916516636 MENIWMGNPXHFCF-UHFFFAOYSA-N 410.456 -0.700 50 20 HBGD COCCNS(=O)(=O)c1ccc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)cc1 1117679591 WWAGMDNNOOLRFP-AWEZNQCLSA-N 419.525 -0.283 50 20 HBGD O=C(NNC(=S)NCC1CCC1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 1118765315 XWVCIMJGMFGQAO-NSHDSACASA-N 401.514 -0.553 50 20 HBGD C[Si](C)(C)OCC(=O)N1CC[C@]2(C1)CN(C(=O)C[C@H]1NC(=O)NC1=O)CCO2 1779293934 HUXWOUWBRQURMG-PXAZEXFGSA-N 412.519 -0.734 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCCCN3C)C2)C1 1781034269 FBFVZUVDKVWXIN-OXJNMPFZSA-N 409.531 -0.326 50 20 HBGD O=C1CC(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2ccc(B(O)O)cc2)C3)C1 1783152299 TZZWOJDIXFNDFW-WIYYLYMNSA-N 414.267 -0.527 50 20 HBGD C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783933357 VNDQFDWVXVPAJS-MWGFUINXSA-N 421.498 -0.952 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CC[C@H](O)CC3)C2)C1 1784135840 TVXGEEZFOPOXDQ-JXXFODFXSA-N 410.515 -0.260 50 20 HBGD Cc1ncccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786979438 IVBLVSTUHOEWAG-VDGAXYAQSA-N 423.278 -0.023 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786982812 APPDAHDPNTWOQL-HJWJTTGWSA-N 424.690 -0.787 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C(Cl)Cl)C[C@@H]21)c1cccc(B(O)O)c1 1786986666 XENBJWSIUYGEJN-UBHSHLNASA-N 415.082 -0.237 50 20 HBGD C[C@@](Cl)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@@H](N)C(N)=O)C[C@@H]21 1789866392 QPAYARQDXHLIAA-QHRNJGFCSA-N 423.341 -0.205 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21 1791291008 VWACQUXIDHROCI-ZOBUZTSGSA-N 416.482 -0.147 50 20 HBGD Cn1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)c1 1794576756 FEEYPOAEDLKVMD-XOIINTDNSA-N 412.450 -0.459 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@@]1(F)Cl)C2)c1ccc(B(O)O)cc1 1795737014 TXDABSDZEWKBIM-SIAFSPRGSA-N 410.638 -0.506 50 20 HBGD Nc1n[nH]c(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](F)Br)C3)n1 1797626235 ONEJWKFMRNTNHM-IWXIMVSXSA-N 419.255 -0.400 50 20 HBGD CC(=O)N1CCN(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H](O)CCl)C3)CC1 1797929791 HECOPIMWXTUPFB-QKPAOTATSA-N 400.907 -0.612 50 20 HBGD CO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1801040025 ZQISXNFTNRZZQM-NBIBKWCUSA-N 405.455 -0.255 50 20 HBGD C[C@H](NC=O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1820874333 BFNWHIDHHMFJPQ-LRDDRELGSA-N 413.243 -0.470 50 20 HBGD CN1CC(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CCC(=O)NN(C)C)CC3)C1 1827275800 DJCMEQFHNCUFOJ-GFCCVEGCSA-N 408.528 -0.010 50 20 HBGD COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cn1 1830725100 DRGCLTNKIMKDSE-KDOFPFPSSA-N 413.858 -0.240 50 20 HBGD CNC(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1831277137 YRBUQYIHGCZXJH-TZMCWYRMSA-N 410.240 -0.731 50 20 HBGD O=C(NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1)[C@@H]1C[C@@H]1F 1833631703 RFISAKUHWSICPT-MOPGFXCFSA-N 417.290 -0.090 50 20 HBGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@@H](NC)C(=O)O)CCO2)C1 1835752924 WTDOHHVTFBPIKO-IYOUNJFTSA-N 419.906 -0.087 50 20 HBGD Cc1nn[nH]c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839199613 RBVJAOWRCIKKLT-BXUZGUMPSA-N 420.239 -0.126 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NC(C)=O)CCO2 1839881341 TUAURXZFYQDRQH-RVSPLBMKSA-N 405.879 -0.779 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CC(N)=O)C2)C1 1840150644 ODJMMQFTIYAQAK-IGCXYCKISA-N 405.879 -0.792 50 20 HBGD C[C@H](CBr)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@@H]1NC(=O)NC1=O 1847494287 NTJSTQGPLQAAQK-RCWTZXSCSA-N 401.261 -0.183 50 20 HBGD COc1ccc(CN2C[C@@H](C(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)CC2=O)cc1 726527221 AAPCJBIROGXCMN-KBPBESRZSA-N 424.479 -0.439 50 20 HBGD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=S)NCC1CCC1 727866514 LZARFGWNCBSKOC-UHFFFAOYSA-N 415.541 -0.045 50 20 HBGD CCCCOc1ccc(C(=O)NCC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1 729274925 HPDOKHIRRQBFIO-LBPRGKRZSA-N 414.484 -0.320 50 20 HBGD N#Cc1cccc(C(=O)NNC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)c1 732247339 IZDQERXCLLIQEH-HNNXBMFYSA-N 409.468 -0.009 50 20 HBGD NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)NNC(=O)c3ccncc3)CC2=O)c1 746090705 MUOYIAPOAPRVRS-LBPRGKRZSA-N 403.420 -0.457 50 20 HBGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 763818223 DAAHYHBBYRPWCH-UHFFFAOYSA-N 401.335 -0.048 50 20 HBGD C[C@H]1CN(CCC(=O)NNC(=O)CNC(=O)CNC(=O)OC(C)(C)C)C[C@@H](C)O1 767148179 NCUIREXJXQTSAG-BETUJISGSA-N 415.491 -0.726 50 20 HBGD Cc1noc(C)c1S(=O)(=O)NCC(=O)NNC(=O)Cn1cnc2ccccc21 768398503 LMGZFEDODZGRSK-UHFFFAOYSA-N 406.424 -0.233 50 20 HBGD COC(=O)CNC(=O)NNS(=O)(=O)c1c(C)cc(C)c(NS(C)(=O)=O)c1C 779844332 HAFNKOHXGUGXLZ-UHFFFAOYSA-N 422.485 -0.351 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cccc(C(N)=O)n2)cc1 781576698 IWFDQUAHHMOYQA-UHFFFAOYSA-N 405.436 -0.429 50 20 HBGD NS(=O)(=O)CCN1CCN(C(=O)NNC(=O)c2cc(Br)c[nH]2)CC1 799856518 AIVANYNLHMREHO-UHFFFAOYSA-N 423.293 -0.962 50 20 HBGD COCC(=O)NNC(=O)C(=O)Nc1cc(OC)c(Br)cc1C(=O)OC 806980087 OCKDQMZHDGXWMA-UHFFFAOYSA-N 418.200 -0.023 50 20 HBGD Cc1cccc(C(=O)NNC(=O)COC(=O)c2cc(S(N)(=O)=O)cnc2C)c1 815275514 VETLKAHTTHQMFC-UHFFFAOYSA-N 406.420 -0.036 50 20 HBGD COC(=O)N1CCN(c2ccc(NC(=O)C(=O)NNC(=O)C3CCC3)cn2)CC1 815570176 USEATUGFIGXZKQ-UHFFFAOYSA-N 404.427 -0.144 50 20 HBGD CC(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 1251232651 DMRMKMLIIBDFGT-GFCCVEGCSA-N 403.482 0.000 50 20 HBGD CC[C@H](C)[C@@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779029606 VIWXUSSHNBUJQU-GQWAEJPESA-N 419.482 -0.464 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CC[C@@]2(CN(C(=O)CN3C(=O)CNC3=O)CCO2)C1 1781224676 MQZHPGWWRYQGEI-JKSUJKDBSA-N 421.281 -0.396 50 20 HBGD COC(=O)CSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784085031 BJGXONYAKZQFOT-CYDGBPFRSA-N 408.904 -0.528 50 20 HBGD CCC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]2C1 1786884595 JUOXNLKFCHPEMW-RMEBNNNOSA-N 402.923 -0.034 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cscn3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979388 CPNNCDGFJUTTSU-QRTARXTBSA-N 415.280 -0.270 50 20 HBGD O=C1NC[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]3C2)O1 1789921176 BCYBITAWKMDQNS-AJBSGBCOSA-N 408.224 -0.235 50 20 HBGD CN(C)c1ncc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)o1 1794945658 ATYZBUOAQRSQAM-MUJYYYPQSA-N 412.255 -0.014 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)c1nc2ccc(F)cn2n1 1800133228 VQJWQPCBSWOWIO-QPPBUOOMSA-N 411.821 -0.329 50 20 HBGD CC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](Cl)COC)C2)C1 1829866929 RQRSCMXDZMZKBK-RLFYNMQTSA-N 419.906 -0.389 50 20 HBGD O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731719 ORJBOSMHGWAPJH-IEWOBPEOSA-N 413.858 -0.245 50 20 HBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnnn3C)CCO2)C1 1833236784 UHSCOWKICJOCQI-NHYWBVRUSA-N 416.276 -0.332 50 20 HBGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CC[C@H](N)C(N)=O)CCO2)C1 1835748994 XWZNOGWHVMDZME-DCGLDWPTSA-N 404.895 -0.947 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC3(F)F)C2)C1 1840184195 CCHFDZYOPLVQAA-SUMWQHHRSA-N 418.441 -0.529 50 20 HBGD O=C(c1nc2ccccn2n1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013813 QKBNVZCZQJXQFA-UHFFFAOYSA-N 405.223 -0.460 50 20 HBGD CCCNC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844263572 RQZUMEWLCOMUHW-UHFFFAOYSA-N 416.482 -0.192 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCC(=O)NC1 1847321586 PKOPPPKCXXBAEL-YIXKXMKHSA-N 414.466 -0.152 50 20 HBGD CN(CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)cc1 16785744 XMXUQIXOEYIFLG-SNVBAGLBSA-N 423.900 -0.457 50 20 HBGD COCCCNC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1 65208115 VMHNOHZVJVDIKN-UHFFFAOYSA-N 415.472 -0.368 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=S)Nc1cccc(S(=O)(=O)N(C)C)c1 728448876 DMQVWFDHLBBSRM-SECBINFHSA-N 423.542 -0.808 50 20 HBGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)c1ccc(F)c(S(N)(=O)=O)c1 734241204 HTFPRZZLQGKWJY-UHFFFAOYSA-N 419.435 -0.058 50 20 HBGD O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)NNC(=O)C(=O)N1CCCC1 748246566 CPNGFAMHNUWXDU-UHFFFAOYSA-N 411.436 -0.609 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 755445260 YUKXUVQGQFPWJN-SSDOTTSWSA-N 414.412 -0.227 50 20 HBGD CCC(CC)NC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)COC)c2ccccc2O1 764304246 XBJDMEGJADZBDY-OAHLLOKOSA-N 406.439 -0.121 50 20 HBGD CCN1CCN(c2ccc(NC(=O)C(=O)NN[C@@]3(C)CCS(=O)(=O)C3)cc2)CC1 783426321 HHNHHXNRMKRWKF-IBGZPJMESA-N 423.539 -0.035 50 20 HBGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)NCCCN1C(=O)CNC1=O 792922092 NRTKKERDLYVMGD-UHFFFAOYSA-N 406.399 -0.815 50 20 HBGD CCOC(=O)C1CCN(S(=O)(=O)NNC(=O)CNC(=O)OC(C)(C)C)CC1 808104370 IZSVXBXQEAQGAR-UHFFFAOYSA-N 408.477 -0.348 50 20 HBGD CCOc1ccc(C(=O)NNC(=O)c2nc(N)nc(N3CCOCC3)n2)cc1OC 816828199 VZLVWMJWZLUKAG-UHFFFAOYSA-N 417.426 -0.228 50 20 HBGD CN(C)S(=O)(=O)c1ccc(CC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 1321069741 GPLBNXYEFZNSRU-GFCCVEGCSA-N 403.482 -0.939 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2CC(=O)C2)C1 1783153959 LRUUROYRJZWILA-OXQOHEQNSA-N 408.499 -0.148 50 20 HBGD C[C@@](O)(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1)C(F)(F)F 1784085382 IFGVOXQSLFXBFH-GRZGAGJTSA-N 402.797 -0.121 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1cnn2ccncc12 1796189131 ZUOXBIYLJJRCPU-BJWYYQGGSA-N 419.250 -0.025 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1ccc2nncn2c1 1796191398 HPCFFOLGLYQGHQ-BCDXTJNWSA-N 419.250 -0.025 50 20 HBGD C[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN)n1ccnn1 1798442769 CRRSIGTVFWUQHN-FQUUOJAGSA-N 412.454 -0.210 50 20 HBGD CN(C)C(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1830048750 GJPRTNFIIABXOT-HNNXBMFYSA-N 411.286 -0.482 50 20 HBGD CN1CCC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)CC1 1830719672 HBPZPWVPMKCOEP-CRAIPNDOSA-N 403.907 -0.616 50 20 HBGD O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731697 NXPKLKGAGHVAMQ-ZKWKGFFBSA-N 416.906 -0.486 50 20 HBGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cnnn3)C2)C1 1831646169 IGPJQDLZMOTYLW-CZUORRHYSA-N 400.867 -0.463 50 20 HBGD C[C@H](CN)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834797828 BBJIVVFGWPJFSE-OAHLLOKOSA-N 416.331 -0.854 50 20 HBGD C[C@H](CBr)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)CN)CC2)CC1 1835064916 ZVGAAMQOVPALCU-DOMZBBRYSA-N 418.380 -0.125 50 20 HBGD COc1ccnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1 1837950446 HQEQWCZAOUYQIX-YJBOKZPZSA-N 413.858 -0.240 50 20 HBGD O=C(COCCO)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839201588 BKJRARJGIFYJMC-OCCSQVGLSA-N 413.240 -0.858 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CNC(=O)C3)CCO2)C1 1839872797 LYJQZJRWQYBMIF-ZLIFDBKOSA-N 422.309 -0.185 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1840182509 KLVAWEHNSOXBCW-HXUWFJFHSA-N 406.483 -0.771 50 20 HBGD Cc1cc(CC(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)nn1C 1844263517 MMQQSGXVRDNRMI-UHFFFAOYSA-N 411.466 -0.213 50 20 HBGD Cc1nn(C)c(C)c1S(=O)(=O)NNC(=O)c1csc(N2CCOCC2)n1 18995447 CUPHYQIXQZFNCZ-UHFFFAOYSA-N 400.486 -0.047 50 20 HBGD COCCNS(=O)(=O)c1ccc(C(=O)NNC(=O)Cn2nc(C)cc2C)cc1 26070721 VOBOVEPRNKSVJX-UHFFFAOYSA-N 409.468 -0.114 50 20 HBGD CC1CCC(NS(=O)(=O)CC(=O)NNC(=O)CNC(=O)c2ccco2)CC1 728071844 LVJDXYVJNOGXBX-UHFFFAOYSA-N 400.457 -0.345 50 20 HBGD CC1CCC2(CC1)NC(=O)N(CC(=O)NNC(=O)CNC(=O)c1ccco1)C2=O 751207313 VLMPNUSDJAJNRO-UHFFFAOYSA-N 405.411 -0.343 50 20 HBGD CNS(=O)(=O)c1ccc(C)c(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 756526661 MYOAXGCWOMQSDK-SNVBAGLBSA-N 404.470 -0.509 50 20 HBGD CN(C)S(=O)(=O)c1cc(C(=O)NNC(=O)CCNC(=O)OC(C)(C)C)n(C)c1 760437303 GCBDWFDBQFAJBW-UHFFFAOYSA-N 417.488 -0.049 50 20 HBGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(NC(=O)CN(C)C)cc2)n1 763892269 DYLLPLLAXAHBQZ-UHFFFAOYSA-N 415.454 -0.214 50 20 HBGD COc1ccc(-c2cc(C(=O)NNC(=O)CN3CCCS3(=O)=O)n[nH]2)cc1OC 765601910 UYKVVEMRZQCLNP-UHFFFAOYSA-N 423.451 -0.110 50 20 HBGD CC(C)(C)OC(=O)NCC(=O)NCC(=O)NNc1nccc(N2CCOCC2)n1 767148763 QMHGAPWDZKUTEK-UHFFFAOYSA-N 409.447 -0.603 50 20 HBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](C)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 772159531 JPBBVEPNKKCQPP-IDMWBNCISA-N 409.439 -0.338 50 20 HBGD C[C@H]1CN(C[C@H](C)C(=O)NN=Cc2c(N(C)C)n(C)c(=O)n(C)c2=O)C[C@@H](C)O1 807956702 BEJKDETVUBBCLG-MELADBBJSA-N 408.503 -0.655 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NN=C2CCO[C@@H](C(F)(F)F)C2)n(C)c1=O 814877116 JHOIOGDHVZKLCC-SECBINFHSA-N 402.333 -0.353 50 20 HBGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C 816817775 KBIJDECQWAALRO-SECBINFHSA-N 412.399 -0.391 50 20 HBGD Cc1nn(C)c(=O)c(C(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c1C 878584242 RDQFASRJUNVEQY-UHFFFAOYSA-N 403.351 -0.077 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCC2([S@@](C)=O)CC2)c1 1116911302 QDWNTVGHDDKKPA-RUZDIDTESA-N 402.498 -0.208 50 20 HBGD C[C@H]1CN(CCC(=O)NNC(=O)CCc2nc(O)c3cnn(C)c3n2)C[C@@H](C)O1 1251779955 XCPPGANPUUQAGG-TXEJJXNPSA-N 405.459 -0.352 50 20 HBGD Cc1nc[nH]c1C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779029850 ANLBOUCFIKLSQS-IBGZPJMESA-N 413.438 -0.526 50 20 HBGD CC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCN(C(C)=O)CC3)CCO2)C1 1781220001 WTKHJMHRITVZQF-VQIMIIECSA-N 414.934 -0.002 50 20 HBGD CC(=O)NC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783933106 CIFSFOQULMRIKR-IBGZPJMESA-N 411.503 -0.896 50 20 HBGD COc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)nn1C 1783934888 JOVDIPQBNGHRFM-LJQANCHMSA-N 422.486 -0.755 50 20 HBGD CC[C@H](NC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1786971749 ZLTZPOZUSCLYDA-STECZYCISA-N 418.498 -0.724 50 20 HBGD Cc1cnn(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)c1 1787118148 MJXAGGPFXWGARP-ULQDDVLXSA-N 420.514 -0.456 50 20 HBGD COC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)n2[nH]nnc2n1 1796574481 VVPFLOBJMMKBME-VLEAKVRGSA-N 409.834 -0.682 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCOC1 1801512924 JAWVITFMBOFIGM-DQRILPGFSA-N 417.466 -0.254 50 20 HBGD NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1821951755 HTALIJZXMLSJAD-OAHLLOKOSA-N 413.243 -0.339 50 20 HBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)Cn1nccn1)CC2 1826088648 IDRZGOSWVTVUIV-LLVKDONJSA-N 420.499 -0.280 50 20 HBGD CN[C@H](CC(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1)C(=O)O 1833309102 NNGIOVVKZYUJLT-HUUCEWRRSA-N 418.922 -0.780 50 20 HBGD CCOC(=O)/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1834769612 NXEWCAWZQPLYHL-IXYMFUOYSA-N 404.847 -0.838 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)COc2ccc(O)cc2)C1 1841221426 KKJMRSSIYOLCNG-UHFFFAOYSA-N 410.235 -0.032 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)Cn2nnc3ccccc32)C1 1841815989 XBQZZLCWZRDRQJ-UHFFFAOYSA-N 419.250 -0.372 50 20 HBGD CCCNC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010338 FQRNMINPZPNNOB-UHFFFAOYSA-N 401.272 -0.510 50 20 HBGD Cc1nn(C)c(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)c1F 1843010909 UFQZFCCIORAWRE-UHFFFAOYSA-N 400.219 -0.322 50 20 HBGD COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNC(=O)Cc3cc[nH]n3)C2=O)cc1 730103156 YPUMJAKUOPBUIJ-GOSISDBHSA-N 400.395 -0.425 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cc(Cl)c2c(c1)C[C@@H](C)O2 736063458 PHEKRRVKUGJDIP-SFYZADRCSA-N 411.889 -0.089 50 20 HBGD CCOc1ccc(C(=O)NNC(=O)CCn2cc(S(N)(=O)=O)cn2)cc1OC 749403483 LUTNXJPFVLNWQI-UHFFFAOYSA-N 411.440 -0.211 50 20 HBGD COCCCNC(=O)NNC(=O)Cc1c(C)nn(-c2cncc3nnnn23)c1C 749908121 GHYDJFZHDADCSL-UHFFFAOYSA-N 402.419 -0.769 50 20 HBGD Cc1csc(CC(=O)NNC(=O)COC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)n1 761191601 FWUIMEVDRIXBGR-QGZVFWFLSA-N 423.451 -0.595 50 20 HBGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)CN3C(=O)CN(C)C3=O)CC2)cc1 766649376 ODGCMQIAHPRXLB-UHFFFAOYSA-N 416.482 -0.846 50 20 HBGD Cc1cnc(O)n1-c1ccccc1NC(=O)C(=O)NNC(=O)C(=O)N1CCCC1 784003425 WWBOEJVDEDMVDU-UHFFFAOYSA-N 400.395 -0.405 50 20 HBGD CC(C)NC(=O)C(=O)NNS(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F 794865765 JVPTXNMDXSZPGP-UHFFFAOYSA-N 417.387 -0.186 50 20 HBGD COC(=O)[C@H](CS(=O)(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 795291561 XTJIPJWLBUEJHS-CHWSQXEVSA-N 404.466 -0.672 50 20 HBGD COC(=O)c1cc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c[nH]1 814528995 MZKQPWYBCHAUSO-AWEZNQCLSA-N 403.347 -0.055 50 20 HBGD Cc1ccc(S(=O)(=O)NCC(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)cc1 912919857 RRUWUQAPWDAHFQ-GJZGRUSLSA-N 412.512 -0.080 50 20 HBGD O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NNC(=O)CN1CCCC1=O 920433934 LPNHQSRJUZKWOZ-UHFFFAOYSA-N 407.452 -0.725 50 20 HBGD Cc1c(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)nnn1Cc1ccc(F)cc1 1320800989 VJDAKMYINMIVKK-ZDUSSCGKSA-N 410.431 -0.095 50 20 HBGD CN(C)S(=O)(=O)c1ccc(F)c(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 1337046258 BFYTUSGLIXYDSE-SECBINFHSA-N 407.445 -0.728 50 20 HBGD CC(C)(C)NCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779031678 VMONHCMZORQPPL-FQEVSTJZSA-N 418.498 -0.483 50 20 HBGD CC[C@@H](C)[C@H](N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1786816472 HNYOQTOGZAOFJC-CRWDZZMISA-N 417.315 -0.667 50 20 HBGD Cc1nc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)c(=O)[nH]c1C 1794612480 VAOUFAVTTFTWEW-BJWYYQGGSA-N 424.266 -0.368 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCN1CCOCC1 1795910356 AETGVZAVTMDEJU-BJWYYQGGSA-N 409.531 -0.280 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCOC1)C2 1796446450 XMHYQYGMIOJUIJ-LIPWNHDFSA-N 417.466 -0.254 50 20 HBGD CCN1CCC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)CC1 1801014059 CFMDTXRVGPJTDE-XEMDLRDOSA-N 423.558 -0.319 50 20 HBGD C[C@H](O)C(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819801157 ZMVBOTCSFXMEBH-IUCAKERBSA-N 404.452 -0.252 50 20 HBGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)COCCO)C2)C1 1830543704 ZELMISOESLENRO-XJKSGUPXSA-N 423.304 -0.517 50 20 HBGD O=C(c1cc2ncccn2n1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830730781 DSWKDXJICZFTCK-KSSFIOAISA-N 423.857 -0.601 50 20 HBGD CCc1nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)co1 1830732925 YSOBLQVQHXXHHE-CXAGYDPISA-N 401.847 -0.093 50 20 HBGD CCOC(=O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1 1830738036 KQACTNBQOSYMBI-SCLBCKFNSA-N 420.890 -0.368 50 20 HBGD C=CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1837703029 SZEURNPBAXTGLO-BDJLRTHQSA-N 408.282 -0.063 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1839149042 RFNVQQSTJWPBIO-KSSFIOAISA-N 418.922 -0.167 50 20 HBGD Cc1oncc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840183467 GENFMZLBLKRYPR-LJQANCHMSA-N 423.470 -0.574 50 20 HBGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCNC(=O)C1)CCO2 1840231887 IWCGUNOORFPHMM-GLJUWKHASA-N 401.891 -0.014 50 20 HBGD C[C@H]1CN(CCC(=O)NNC(=O)[C@@H](C)N2C(=O)NC3(CCCC3)C2=O)C[C@@H](C)O1 732262734 VZEIUAWSNLBZPZ-HZSPNIEDSA-N 409.487 -0.114 50 20 HBGD CCN(CC)S(=O)(=O)CC(=O)NNC(=O)c1csc(N2CCOCC2)n1 733885328 ZNNSTICMXLEKLU-UHFFFAOYSA-N 405.502 -0.588 50 20 HBGD CCc1nc2ccccc2n1CC(=O)NNC(=O)CCC(=O)NCCNC(C)=O 735647146 IPBCEWHRCXWMCC-UHFFFAOYSA-N 402.455 -0.221 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(N2C[C@H]3CC[C@H]2C3)cc1 756154419 CHLSPUNEXOJHBI-HUBLWGQQSA-N 423.495 -0.301 50 20 HBGD CNC(=O)Cn1cnc(NC(=O)C(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)n1 763753445 WRQIMWDVXVXDQK-UHFFFAOYSA-N 417.470 -0.284 50 20 HBGD COc1ccc(C(=O)NNC(=O)COC(=O)c2c([N+](=O)[O-])cnn2C)cc1OC 766964551 QGEWHYFXYPCRBS-UHFFFAOYSA-N 407.339 -0.037 50 20 HBGD NC(=O)c1cc(S(=O)(=O)NCC(=O)NNc2ccnc(Br)c2)c[nH]1 771540272 IAHBLBQPTICJBA-UHFFFAOYSA-N 417.245 -0.307 50 20 HBGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccc(I)cn1 773552706 NHZOVCCZXGUOOX-QMMMGPOBSA-N 420.163 -0.813 50 20 HBGD CCOC(=O)N1CCN(S(=O)(=O)NNC(=O)CNC(=O)OC(C)(C)C)CC1 777941874 XLMRBMUDBIHSFB-UHFFFAOYSA-N 409.465 -0.849 50 20 HBGD CCOCCOc1ccc(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 920395345 NZGADJWAOBGUME-GFCCVEGCSA-N 421.497 -0.219 50 20 HBGD O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)NNC(=O)c1n[nH]c2c1CCCC2 1318413635 NEEOGVJIRLBXOY-INIZCTEOSA-N 418.498 -0.237 50 20 HBGD CC[C@@H](NC(N)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2 1777976746 CEQRPIHPFWFGSE-HPTBWKMGSA-N 404.895 -0.453 50 20 HBGD Cc1ncoc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779030839 IWTPWGSYYNOQSY-LJQANCHMSA-N 414.422 -0.261 50 20 HBGD CC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(=O)n4[nH]nnc4n3)CCO2)C1 1781216863 CACUUIGEGWRTJE-QFYYESIMSA-N 409.834 -0.727 50 20 HBGD CN1CC(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cccc(B(O)O)c2)C3)C1 1782746086 AXCRPTNOYFOUTD-WIYYLYMNSA-N 415.299 -0.945 50 20 HBGD C[C@H](Br)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)n1cnnn1)CCO2 1783540372 VEDPCKMIAAQAGA-WDMOLILDSA-N 401.265 -0.153 50 20 HBGD CCOC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](Cl)COC)C2)C1 1783876882 BSFFVPKRNYBCQK-XHBSWPGZSA-N 407.851 -0.865 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(CN(C(=O)/C=C/c3cnccn3)CCO2)C1 1783937376 HKLYNJDLBOZTTR-HQMUEHRGSA-N 416.482 -0.307 50 20 HBGD CC[C@H](C)[C@H](N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1786816477 HNYOQTOGZAOFJC-SKMQDVENSA-N 417.315 -0.667 50 20 HBGD Cc1n[nH]cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786981058 NMHAZIQAJUTLSH-WBAXXEDZSA-N 412.255 -0.695 50 20 HBGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC(=O)NC1)CCO2 1829955744 AXLFQHOGRVEGLL-QWQRMKEZSA-N 401.891 -0.014 50 20 HBGD CCOC(=O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830738032 KQACTNBQOSYMBI-ACJLOTCBSA-N 420.890 -0.368 50 20 HBGD N#CCCC(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1834605805 RZFHQBURMKIFOI-UHFFFAOYSA-N 412.299 -0.145 50 20 HBGD CC[C@@H](O)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834797768 DBAOYYFGQFXGLQ-LJQANCHMSA-N 417.315 -0.678 50 20 HBGD O=C1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)CCBr)C3)C2)N1 1835304799 BVRBBPKUPJSHFI-WBMJQRKESA-N 418.288 -0.494 50 20 HBGD CN(C)C(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1835435908 WRYFPGUPBOFPNG-HZPDHXFCSA-N 410.298 -0.233 50 20 HBGD COC(=O)C1(C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)CC1 1844265308 PHLYAYKEJXHJED-UHFFFAOYSA-N 401.423 -0.545 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)[C@H]1CCCS1(=O)=O)C2 1846386062 ZDNHIBANIVQHIO-CYBMUJFWSA-N 400.501 -0.860 50 20 HBGD NC(=O)[C@H]1CCCN(CCCNC(=O)NNC(=O)[C@H]2COc3ccccc3O2)C1 729506168 NULJQZWTKULKEZ-XJKSGUPXSA-N 405.455 -0.256 50 20 HBGD CCC(=O)NNC(=O)[C@H](C)N1CCN(CCNC(=O)c2ccc(OC)cc2)CC1 732204352 UGHSJGJJIJCMTJ-HNNXBMFYSA-N 405.499 -0.012 50 20 HBGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)c2ccc(S(N)(=O)=O)cc2)cc1 744555040 UPWBKZCRBFVOAT-UHFFFAOYSA-N 402.388 -0.176 50 20 HBGD COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CCC(C(=O)NCCO)CC1 749675577 UMISYFUTHCBENH-UHFFFAOYSA-N 412.874 -0.070 50 20 HBGD CCc1ncsc1NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 757756890 YQDIDVBPOZWTCG-UHFFFAOYSA-N 406.428 -0.695 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 758036747 UZBAEHXFEAUCPW-BXUZGUMPSA-N 408.480 -0.387 50 20 HBGD Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1F 760343131 BPDJAFKIQNYWIY-MRVPVSSYSA-N 410.405 -0.278 50 20 HBGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)NCCC(=O)N1CCOCC1 763473875 RSUPFDUQIYNKLH-UHFFFAOYSA-N 401.464 -0.129 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NN=C2CCC(O)(C(F)(F)F)CC2)n(C)c1=O 764813271 XURYQBKAYCXHEW-UHFFFAOYSA-N 416.360 -0.227 50 20 HBGD CCCS(=O)(=O)CC(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766652501 QNBFZCYXKNTLHQ-UHFFFAOYSA-N 410.496 -0.583 50 20 HBGD C[C@@H]1CCN(S(=O)(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)C1 777939218 ANPAWZYNXMFKKA-OAHLLOKOSA-N 409.512 -0.348 50 20 HBGD CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)NNC(=O)CNC(=O)c1ccco1 799912266 UHMZBBNPYBVZAG-WDEREUQCSA-N 401.445 -0.942 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CN(C)S(=O)(=O)c2cccnc2)cc1 801108274 KDSLAAHSKPBCEU-UHFFFAOYSA-N 405.436 -0.203 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1 801108641 LLIHGZMWQVAFLA-UHFFFAOYSA-N 416.415 -0.074 50 20 HBGD O=C(COC(=O)c1cncc(-n2ccnn2)c1)NNC(=O)[C@@H]1COc2ccccc2O1 801883946 PCFLMDHESVKLBM-INIZCTEOSA-N 424.373 -0.194 50 20 HBGD O=C1COC[C@@H](C[C@H]2CN(C(=O)C(=O)NNC(=O)C3CCC3)c3ccccc32)N1 806980133 PKWCTZBXNPBTJT-UONOGXRCSA-N 400.435 -0.031 50 20 HBGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)Cn2ncn3nccc3c2=O)cc1 1322752180 LHIJYYYJJHDLEW-LBPRGKRZSA-N 400.395 -0.095 50 20 HBGD CN(C)N(C(=O)c1cnc2c(c1)c(O)nc(=O)n2C1CC1)[C@@H]1CCS(=O)(=O)C1 1326113126 UYHYVXQZBLWTCU-GFCCVEGCSA-N 407.452 -0.062 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3cccnc3)CCO2)C1 1779028579 MVLKXMJUAPHGQW-HXUWFJFHSA-N 410.434 -0.163 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NN(C)C(=O)CC3)[C@H]2C1 1784981851 XPHIHKWBYREMHK-XPCVCDNBSA-N 414.890 -0.172 50 20 HBGD CC[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cnnn3)[C@H]2C1 1787094107 JEYCUWGCNRNRMD-RVMXOQNASA-N 415.292 -0.174 50 20 HBGD CN1N=C(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCBr)CCC1=O 1795111427 MEURHYWPMAMGME-QHBPRCKVSA-N 415.288 -0.031 50 20 HBGD CCC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795737698 KYJLFWZMKNTRGZ-YALNPMBYSA-N 408.691 -0.023 50 20 HBGD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1)c1ccccn1 1795740581 CBBKMMRMSOVSCX-DFYYWFRZSA-N 423.278 -0.232 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1ccccc1=O 1796225081 SEFWSEIGDPRBOW-MUJYYYPQSA-N 403.483 -0.141 50 20 HBGD C[Si](C)(C)OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H]1NC(=O)NC1=O)C2 1797952697 HKUKXNCKJDWNEE-NWJSVONSSA-N 412.519 -0.974 50 20 HBGD CC(C)n1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)n1 1801011086 AKIYNBYRPZNMHZ-XOIINTDNSA-N 421.502 -0.565 50 20 HBGD O=C(NC1CCN(C2CCN(C(=O)CN(CCO)CCO)CC2)CC1)[C@H](F)Cl 1835083744 SZTFBGBPTOVEDJ-KRWDZBQOSA-N 422.929 -0.621 50 20 HBGD COCCOCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840031699 ACTYPXLFBPESNI-CZUORRHYSA-N 423.304 -0.111 50 20 HBGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840039667 CKRWDBRPROOVGN-LRDDRELGSA-N 417.256 -0.438 50 20 HBGD CC[C@H](NC(N)=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](Cl)COC)CCO2 1840152294 DTYXCQIYFQVSNW-IIYDPXPESA-N 420.894 -0.857 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1cnc(N)s1)C2 1844264012 UJNXEIHXPYGMRA-UHFFFAOYSA-N 401.452 -0.145 50 20 HBGD CN1CCN(CC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 731865239 LROGGFROGNPFCI-UHFFFAOYSA-N 409.512 -0.521 50 20 HBGD Cc1nc(S(=O)(=O)NCCC(=O)NNc2nc3ccccc3c(=O)n2C)cn1C 733260416 FCALXRKOJZRDSA-UHFFFAOYSA-N 419.467 -0.213 50 20 HBGD C[C@@H](C(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1)N1CCN(C)CC1 744621316 PSQJEHUVOXYVMZ-HNNXBMFYSA-N 411.528 -0.214 50 20 HBGD O=C(COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NNC(=O)c1ccccc1 745477623 NEYWVRRDPZBFAU-CZPYZCIJSA-N 401.375 -0.847 50 20 HBGD CN(C)CCN1C[C@H](C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CC1=O 746218949 OBCMDTORFQLYBW-OAHLLOKOSA-N 403.487 -0.750 50 20 HBGD N#Cc1c[nH]c(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 748282623 JCDOMDHNEBLHSL-UHFFFAOYSA-N 403.420 -0.018 50 20 HBGD CO[C@H](C)C(=O)Nc1cccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 756226910 CDSYOKAVIYKPGE-NXEZZACHSA-N 401.445 -0.250 50 20 HBGD CC(C)NC(=O)C(=O)NNC(=O)C(F)(F)c1ccccc1OCC(=O)N(C)C 778547058 CKSLWHHBCZNTIJ-UHFFFAOYSA-N 400.382 -0.083 50 20 HBGD O=C(NN=c1cc[nH]cc1)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 783378253 AHJGFCPJNONOAT-QGZVFWFLSA-N 411.418 -0.400 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CCn2cc(S(N)(=O)=O)cn2)cc1C 798306879 CERIAGBIPBRWAR-UHFFFAOYSA-N 408.440 -0.676 50 20 HBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc(S(=O)(=O)N=c2cc[nH]cc2)cc1 914751124 GRZAVSQKFZFUQN-UHFFFAOYSA-N 405.436 -0.410 50 20 HBGD CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)o1 1321550907 QDIFYKYDQZLEDL-UHFFFAOYSA-N 422.467 -0.003 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3[nH]cc4c3CCC4)C2)C1 1779997252 FNBNQEYGUADEFC-QFIPXVFZSA-N 423.278 -0.060 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc(O)n1)CCO2 1783936940 YMFDBGTYOVFGJU-IBGZPJMESA-N 405.455 -0.396 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCCS3)C2)C1 1784790681 NOZCTLBSJHQTBB-LPHOPBHVSA-N 404.297 -0.295 50 20 HBGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCOC1=O 1793166459 QSOLEBISRKPRAF-KQXIARHKSA-N 404.261 -0.188 50 20 HBGD C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1793355913 TWAICCSCDHFVGR-SCNOPHJPSA-N 402.256 -0.839 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccsc1)C2)c1ccc(B(O)O)cc1 1795734787 QGXKXRJRYVGADM-HGKCTWBKSA-N 414.292 -0.126 50 20 HBGD CN(C)C(=O)C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807370570 GZGRGVLDIZOXMV-AEFFLSMTSA-N 424.266 -0.831 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCCC3)CCO2)C1 1829880338 WHPKIEQRDIXHOS-YJBOKZPZSA-N 403.907 -0.208 50 20 HBGD CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830723889 STAHXRBFZCLVCL-KDOFPFPSSA-N 416.906 -0.676 50 20 HBGD O=C(Cc1cscn1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830724837 ZBINOUIBEZYTQT-CJNGLKHVSA-N 403.888 -0.258 50 20 HBGD O=C(c1ccnc(F)c1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1831894918 GCVFLGWIDVUHFV-CXAGYDPISA-N 401.822 -0.110 50 20 HBGD O=C(COCCO)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1839194435 KKHHTRXZKHGENR-GXTWGEPZSA-N 413.240 -0.858 50 20 HBGD O=C1CCCCN1CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1840104821 DZYSGGHXZZMGOR-RDJZCZTQSA-N 405.854 -0.010 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@H]3F)C2)C1 1840184963 GPNXABCRSBEDLW-IYOUNJFTSA-N 400.451 -0.826 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2cc3ncccn3n2)C1 1844035595 TXTLMWIWMWWRLR-UHFFFAOYSA-N 405.223 -0.460 50 20 HBGD CC(=O)N(C)[C@H](C)C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844264262 ZOOZJSBROPSALH-GFCCVEGCSA-N 402.455 -0.631 50 20 HBGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)Cn1c(O)nc2ccccc2c1=O 734241997 NUDUKXHGLSGZRE-UHFFFAOYSA-N 420.426 -0.043 50 20 HBGD Cc1ccccc1C(=O)NNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 763958255 SSLCNNBNDFXSEA-UHFFFAOYSA-N 410.390 -0.660 50 20 HBGD C[C@@H](C(=O)NNC(=O)CNC(=O)c1cccnc1)N1C(=O)NC2(CCCC2)C1=O 764342732 IAWBHABQBWNZGS-NSHDSACASA-N 402.411 -0.788 50 20 HBGD N#Cc1ccc(-n2ccc(NC(=O)C(=O)NNC(=O)[C@@H]3COCCO3)n2)c(Cl)c1 764426441 USQKNPNELGUARM-ZDUSSCGKSA-N 418.797 -0.101 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)/C=C/c2ccccc2F)n(C)c1=O 765729976 JPEGXDTVIOGVCF-BQYQJAHWSA-N 400.370 -0.566 50 20 HBGD Cc1cccc(C(=O)NNC(=O)COC(=O)c2cc(S(N)(=O)=O)ccc2O)c1 769794459 XOOCFTLVLUHZBY-UHFFFAOYSA-N 407.404 -0.034 50 20 HBGD CSCCNC(=S)NNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 770246295 JMDXEAJRPYDYKQ-VIFPVBQESA-N 419.554 -0.689 50 20 HBGD C=CCN1C(=O)C(=O)N(CC(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)C1=O 772885048 TUWNHSVZEWHUSW-UHFFFAOYSA-N 421.797 -0.920 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@H](O)[C@@H](O)c1nc2ccccc2s1 779510686 MBAZVVWZHNLRCL-ZIAGYGMSSA-N 404.404 -0.139 50 20 HBGD COc1ccc(C(=O)NNC(=O)COC(=O)[C@@H]2CCS(=O)(=O)C2)cc1OC 791891218 PVDFUAOJEIRJNZ-LLVKDONJSA-N 400.409 -0.557 50 20 HBGD CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)NNC(=O)COc2ccccc2O)C1 806038020 GIBZMOATCHRPAM-GFCCVEGCSA-N 415.472 -0.628 50 20 HBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCC(=O)NCC#N)c1 807552150 PEIROULTBBRILL-UHFFFAOYSA-N 410.456 -0.699 50 20 HBGD N#Cc1ccc(S(=O)(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)o1 808098181 GANVCJOAPGMOOX-UHFFFAOYSA-N 417.447 -0.081 50 20 HBGD CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NNC(=O)Cc2cccnc2)cc1 810348082 HORLJOMOUTZEHC-UHFFFAOYSA-N 405.436 -0.292 50 20 HBGD CS(=O)(=O)CC1CCN(C(=O)NNC(=O)CNC(=O)c2cccs2)CC1 814295625 ZTDTZTDUMLICKR-UHFFFAOYSA-N 402.498 -0.025 50 20 HBGD O=C(COc1ccc(F)cc1)NNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 914878903 ROLHDTUCJORNCF-YPMHNXCESA-N 413.427 -0.613 50 20 HBGD CCn1cnnc1CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 916580510 HMOYTQQXVFBIBX-UHFFFAOYSA-N 423.503 -0.545 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3cccc(F)n3)C2)C1 1779485407 BPDYKUDKTHULFY-HXUWFJFHSA-N 413.214 -0.342 50 20 HBGD CCc1cc(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)no1 1779695123 ZXPZIMOYHXQYAT-HXUWFJFHSA-N 413.239 -0.326 50 20 HBGD O=C(CCBr)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1784113586 VJIFPAUGKKSSBS-MRXNPFEDSA-N 414.256 -0.474 50 20 HBGD C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)n1cccc1 1784331197 VMPURIJFESDTDV-HRAATJIYSA-N 411.267 -0.127 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cccnc3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979680 ACLCKWOFPRQXDT-IHPCNDPISA-N 423.278 -0.403 50 20 HBGD CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](Cl)COC)C[C@@H]21 1788475406 KGFGKDBPPHONPJ-DKBOKBLXSA-N 421.878 -0.716 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)[C@H]1CCCS1 1791801635 VDYVAIXMDVAHRJ-LEUOFYLZSA-N 418.324 -0.145 50 20 HBGD CS(=O)(=O)N1CCC(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H](O)CCl)CC1 1793112589 RRGNLSFFEZSCAF-LXTVHRRPSA-N 421.947 -0.104 50 20 HBGD CC[C@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2 1796321732 ZDGXZSAMTNYWCO-SSRBZLIGSA-N 409.256 -0.287 50 20 HBGD CC(=O)N[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798443212 XRTQEAATHBRESO-RUZUBIRVSA-N 402.455 -0.539 50 20 HBGD CC[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1802998659 BYSHJJPEKIHQPR-YTQUADARSA-N 411.267 -0.148 50 20 HBGD O=C(O)C#CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1822200047 DONLSCSSGMDITJ-HNNXBMFYSA-N 410.195 -0.517 50 20 HBGD O=C(c1ccc(CO)o1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830732500 ZFJGYXMQFQSAFT-GUYCJALGSA-N 402.831 -0.558 50 20 HBGD C[C@H](Cn1ccnc1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830737296 GSKCCTPDZQWGJB-RVKKMQEKSA-N 414.890 -0.425 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnn3C)CCO2)C1 1834238740 HFJXUMHOULEPSJ-CXAGYDPISA-N 400.863 -0.256 50 20 HBGD O=C(CCN1CCOCC1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1835444388 ZDENXTVSJVMNAH-NVXWUHKLSA-N 407.870 -0.301 50 20 HBGD Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)n[nH]1 1837583403 RAKULBLXJWERDA-YOEHRIQHSA-N 400.863 -0.683 50 20 HBGD Cn1nc2c(c1C(=O)N1CCCC13CN(C(=O)c1ccc(B(O)O)cc1)C3)CCC2 1845675167 IBBKLWMZVPRVJT-UHFFFAOYSA-N 408.267 -0.281 50 20 HBGD O=C(CCNS(=O)(=O)c1cccnc1)NNC(=O)CNC(=O)c1cccs1 725740252 CGJNLTXERMJSAL-UHFFFAOYSA-N 411.465 -0.611 50 20 HBGD NS(=O)(=O)c1cc(C(=O)NNC(=O)CCN2C(=O)CCC2=O)ccc1Cl 726152361 MZHJADNTUQIBAJ-UHFFFAOYSA-N 402.816 -0.713 50 20 HBGD O=C(CNC(=O)NCc1ccc(Cl)cc1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 727373958 JJQKHHVKLCJTKD-GFCCVEGCSA-N 417.875 -0.343 50 20 HBGD O=C(COc1ccccc1O)NNC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 730781555 RLYUVGIIAGDVGP-UHFFFAOYSA-N 424.413 -0.010 50 20 HBGD CCN1CCC[C@H]1CN1C[C@@H](C(=O)NNC(=O)CNC(=O)c2ccco2)CC1=O 733144167 LVEXFQFUWKMMEM-KBPBESRZSA-N 405.455 -0.510 50 20 HBGD COc1ccc([C@]2(C)NC(=O)N(CC(=O)NNC(=O)C(=O)N3CCCC3)C2=O)cc1 748246507 BMFCWTHGLNUVMK-IBGZPJMESA-N 417.422 -0.768 50 20 HBGD CCOC(=O)c1cccc(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 749153741 FLHPVCBHPVQYEU-LLVKDONJSA-N 405.454 -0.457 50 20 HBGD NS(=O)(=O)c1cnn(CCC(=O)NNC(=O)c2cc(Br)c[nH]2)c1 749403386 KJTUDVBHFUIBMS-UHFFFAOYSA-N 405.234 -0.528 50 20 HBGD COc1ccccc1OCC(=O)NNC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 753000352 OUWNHXIQOJXIIY-LBPRGKRZSA-N 400.457 -0.314 50 20 HBGD C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNC(=O)Cc1cn2ccccc2n1 755435413 BCULWEPTEBYYGV-LLVKDONJSA-N 405.440 -0.875 50 20 HBGD COCC(=O)N(C)CC(=O)NNC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 759123072 ZOIFYIREOYHTON-UHFFFAOYSA-N 401.464 -0.179 50 20 HBGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)n(-c2ccccc2)n1 764231129 MTGKTRIQEIAGPV-LLVKDONJSA-N 408.440 -0.796 50 20 HBGD Cc1nc2sccn2c1C=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 764811778 AUROUVMTCKZFCD-UHFFFAOYSA-N 400.424 -0.398 50 20 HBGD Cc1ccc(CCCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)s1 765732439 UOUSKRIZRBFTBQ-UHFFFAOYSA-N 418.479 -0.026 50 20 HBGD O=C(CCN1CCCC1=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765739520 WYXLHBZEIASYJY-UHFFFAOYSA-N 401.467 -0.396 50 20 HBGD O=C(/C=C/C(=O)Nc1ccc2n[nH]cc2c1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 778645588 JLOOFAWEFGPEFG-PCAWENJQSA-N 406.424 -0.425 50 20 HBGD Cc1oc(S(N)(=O)=O)cc1C(=O)NNC(=O)CNC(=O)OCc1ccccc1 798135778 SDDDBXPAXNCTAX-UHFFFAOYSA-N 410.408 -0.077 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCn2cnc(C#N)n2)cc1 807513591 QGKAMMQCYRCUKB-UHFFFAOYSA-N 420.455 -0.891 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCN2CCCS2(=O)=O)c1 918203886 ZFACQSWEGCKXPR-UHFFFAOYSA-N 418.497 -0.877 50 20 HBGD O=C1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)CC(F)(F)F)c2)CCN1 918366161 KYVIWEDJJQVSCH-UHFFFAOYSA-N 408.358 -0.480 50 20 HBGD C=C(C(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2)C(F)(F)F 1783202965 QQWMRKNZHXAVGY-KRWDZBQOSA-N 412.173 -0.072 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4ncccn4n3)C[C@@H]21)[C@@H](O)CCl 1784093495 XTBDDUYQQBNTDG-JURCDPSOSA-N 407.858 -0.078 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cnsn1 1785658404 AAAYDJZAUMXANZ-NOLJZWGESA-N 416.268 -0.875 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cncnc3)C[C@@H]21 1791288722 PTCJBTNRVBXDLA-ULQDDVLXSA-N 418.498 -0.628 50 20 HBGD O=C(CCNC(=O)c1ccc[nH]1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1794033624 OYERZFGPCWBFFM-FAXLKDOZSA-N 412.874 -0.676 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1[nH]cc3c1CCC3)C2)c1ccc(B(O)O)cc1 1795735272 UWLOEPNTAJGPIY-HGKCTWBKSA-N 423.278 -0.300 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1cnn2ccncc12 1796191522 SYTROHWIVPSVQC-BJWYYQGGSA-N 419.250 -0.025 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nccnc1C(N)=O 1799044065 LPVDAEIIJDKVMU-CLLJXQQHSA-N 417.470 -0.800 50 20 HBGD COc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)nn1C 1799489811 INGMAUGZASLMQI-MUJYYYPQSA-N 412.255 -0.326 50 20 HBGD NC(=O)[C@H](N)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](O)CCl)[nH]n1 1817352420 IPISHALOAQJNBJ-YUSALJHKSA-N 400.867 -0.406 50 20 HBGD CN1CCCC[C@@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830720012 QRNSIUUWULGPKE-RKVPGOIHSA-N 403.907 -0.473 50 20 HBGD CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830732913 CJJYPQJNPJLTJS-CKEIUWERSA-N 405.879 -0.157 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccn1C)CCO2 1833913320 OQUNLKZORQFRQY-FQEVSTJZSA-N 421.498 -0.532 50 20 HBGD O=C(/C=C/c1cnccn1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840484417 PGRJPYZNGLRRHD-XRYBMZHVSA-N 410.858 -0.454 50 20 HBGD COC(=O)CSCC(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1841613346 DLTXKGKRKPFZJK-UHFFFAOYSA-N 406.269 -0.910 50 20 HBGD Cn1nc(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)c2c1CCC2 1843014031 PTIMGZQISAHGMM-UHFFFAOYSA-N 408.267 -0.281 50 20 HBGD COc1ccnc(N2CCN(C(=O)NNC(=O)CNC(=O)c3ccco3)CC2)c1 729228384 ATHQAKMCXXLVAC-UHFFFAOYSA-N 402.411 -0.024 50 20 HBGD Cn1nc(SCC(=O)NN=C2CCS(=O)(=O)c3ccccc32)c(=O)n(C)c1=O 730568776 AUUSZWOIAKDAOA-UHFFFAOYSA-N 423.476 -0.731 50 20 HBGD O=C(CCNS(=O)(=O)/C=C/c1ccccc1)NNC(=O)[C@H]1CCS(=O)(=O)C1 732308056 SEHINCRERYMQQH-OIOXUXFSSA-N 415.493 -0.451 50 20 HBGD O=C(COc1ccccc1F)NNC(=O)N[C@H]1CCN(CCN2CCOCC2)C1 734686982 ZYEQMXHLZUHAMN-HNNXBMFYSA-N 409.462 -0.059 50 20 HBGD Cc1ccc(C(=O)NNC(=O)Cc2cc[nH]n2)cc1S(=O)(=O)N1CCOCC1 755283899 FBMZHGSTZXXRRH-UHFFFAOYSA-N 407.452 -0.257 50 20 HBGD CC1CCN(C(=O)C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)CC1 768073535 WEKLBNGXFMMGEQ-UHFFFAOYSA-N 415.494 -0.150 50 20 HBGD CCN1CCN(c2ccc(NC(=O)C(=O)NNC(=O)C(=O)N3CCCC3)cc2)CC1 783999345 MHWRFADJPISOKS-UHFFFAOYSA-N 416.482 -0.463 50 20 HBGD O=C(CNC(=O)c1cccnc1)NNC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1 784793980 SFQLPABWOFRFOL-HZPDHXFCSA-N 415.450 -0.600 50 20 HBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c(C)cc1F 793381123 LFTBUZNTEXRXPU-VIFPVBQESA-N 423.444 -0.400 50 20 HBGD O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)NNC(=O)[C@H]1Cc2ccccc2O1 795875979 CVJDUVVRNCYPGI-CQSZACIVSA-N 415.431 -0.008 50 20 HBGD COC(=O)c1[nH]c(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1C 799883290 WXWRBJZKXFZPKS-UHFFFAOYSA-N 401.383 -0.993 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNS(=O)(=O)c2cn(C)nc2C)cc1 808068867 JNHGLHAMQZGSPO-UHFFFAOYSA-N 415.497 -0.333 50 20 HBGD CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)cc1 815780518 ZXPJQMBLUVRJNL-CQSZACIVSA-N 410.452 -0.266 50 20 HBGD COC(=O)c1ccc(Br)c(NNC(=O)CNC(=O)CNC(C)=O)c1 816716830 DCFGSNIEXDREGM-UHFFFAOYSA-N 401.217 -0.069 50 20 HBGD Cn1c(=O)nc(O)c2nc(CCC(=O)NNC(=O)[C@@H]3COc4ccccc4O3)[nH]c21 920255400 WIZPAHMEQJTJDA-NSHDSACASA-N 414.378 -0.718 50 20 HBGD C[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CN3CC(=O)NC3=O)CCO2)C1 1783530007 QRDULMQLWQKSAQ-MEBBXXQBSA-N 417.260 -0.849 50 20 HBGD Cc1nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)c(=O)[nH]c1C 1784086263 JFUWJJGBUMEQJP-FQUUOJAGSA-N 412.874 -0.420 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3csnn3)C[C@@H]21)c1cccc(B(O)O)c1 1786983741 YMKBQEFFPAJHQS-NOLJZWGESA-N 416.268 -0.875 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc4ncccn4n3)[C@H]2C1 1787940447 ZFYBQMWYXRVVRF-FQUUOJAGSA-N 422.873 -0.029 50 20 HBGD Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)on1 1793887861 BBAKBVOJESEZNK-CCWDJLKJSA-N 413.239 -0.891 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)c1ccccc1)C2)c1ccc(B(O)O)cc1 1795734712 MHTGGNQEZLPFQQ-PIKOESSRSA-N 424.262 -0.697 50 20 HBGD O=C(CN1CCSCC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796189782 ZKYCPIQMOPBGMX-BCDXTJNWSA-N 417.340 -0.333 50 20 HBGD CN1C(=O)CC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2 1799375053 YRTLLJFGTNKZIZ-WKLONVCASA-N 406.252 -0.113 50 20 HBGD CN1CC(C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@@H]2c2cccnc2)C1 1807373720 FALCMBOINMOROW-PXNSSMCTSA-N 422.294 -0.357 50 20 HBGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1)C1(O)CCC1 1829732573 VXJDUGSTVLRIBO-KEYYUXOJSA-N 404.891 -0.406 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn(C)cn3)CCO2)C1 1834450982 LENVNMOOBPQLDC-SUMWQHHRSA-N 400.863 -0.256 50 20 HBGD Nc1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)s1 1835839732 DJRSETYJAGFSIP-MEBBXXQBSA-N 404.876 -0.605 50 20 HBGD CC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837715879 PMKUIOOBVIMMMS-KBXCAEBGSA-N 415.563 -0.181 50 20 HBGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)N(C)C)C2)C1 1840032293 UKOAYAZDPOXRKQ-ABAIWWIYSA-N 406.277 -0.686 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn(C)n3)C2)C1 1840151180 XEKKITSCEWVABM-DYVFJYSZSA-N 400.863 -0.256 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)C(=O)Nc1cccnc1)C2 1844264686 XANIIDJWWCLWFM-UHFFFAOYSA-N 423.433 -0.464 50 20 HBGD NC(=O)c1ccccc1C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1845400425 JEKIXMJVKJAMBR-UHFFFAOYSA-N 407.235 -0.404 50 20 HBGD Cc1ccc(OCC(=O)NNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 16205190 SWVHIHSBLUTQCK-UHFFFAOYSA-N 414.422 -0.641 50 20 HBGD O=C(COc1ccccc1O)NNC(=O)NCCCn1nc2n(c1=O)CCCC2 730823458 LEWWKNMLANKURN-UHFFFAOYSA-N 404.427 -0.114 50 20 HBGD CC(=O)N1CCN(C(=O)CCNC(=O)NNC(=O)[C@H]2COc3ccccc3O2)CC1 730827858 NSZVJKUMVWMNII-MRXNPFEDSA-N 419.438 -0.762 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cccnc1I 758048753 VLISWYUVUCVDRT-LURJTMIESA-N 412.209 -0.615 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cn(-c2ccccc2C(F)(F)F)nn1 758051965 IRETUVOHJYNVCP-QMMMGPOBSA-N 420.373 -0.015 50 20 HBGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1c(OC)ncnc1N(C)C 763646982 LDFOKGLKIIZHLA-UHFFFAOYSA-N 418.410 -0.275 50 20 HBGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2cnn(CC(N)=O)c2)cc1 763864751 HAUNNFSHEVVPBG-LLVKDONJSA-N 418.410 -0.680 50 20 HBGD C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NNC(=O)C3CCCC3)cn2)C[C@@H](C)O1 764070520 LYRGYGPNISJVIG-BETUJISGSA-N 420.470 -0.205 50 20 HBGD CC(C)NC(=O)CN(C)CC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 771811775 SCLBNVBSCBEBDP-UHFFFAOYSA-N 413.500 -0.846 50 20 HBGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NNc1ccc(-n2ccnc2)nn1 788177638 HQTURXMFHVTTNR-NSHDSACASA-N 419.471 -0.177 50 20 HBGD Cn1cc([C@@H]2[C@H](C(=O)NNC(=O)C(=O)N3CCCC3)CC(=O)N2C(C)(C)C)cn1 795059881 DMUSBZHENHETCM-UKRRQHHQSA-N 404.471 -0.122 50 20 HBGD CC(=O)NCC(=O)N1CCc2cc(C(=O)NNC(=O)N3CCN(C)CC3)ccc21 807382868 SNGXRKRTYPYORH-UHFFFAOYSA-N 402.455 -0.686 50 20 HBGD COC(=O)c1cc(Br)cc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 812500478 XUQSQMKASXAXRF-ZETCQYMHSA-N 422.257 -0.066 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNC(=O)NCc2ccco2)c1 920890154 ZQOMCESXVRFLSJ-UHFFFAOYSA-N 423.451 -0.210 50 20 HBGD COCC(=O)NCCC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 1334935976 JJQKHSRDQZQNLW-UHFFFAOYSA-N 413.500 -0.782 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1778854126 VKNSMFNEOSDLBF-BDJLRTHQSA-N 400.867 -0.597 50 20 HBGD Cc1nc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)co1 1779030929 KJCMLLJFOXZSIO-IBGZPJMESA-N 414.422 -0.261 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)Cc3ccncc3)CCO2)C1 1779032749 UAQXHMDMTWLARU-OAQYLSRUSA-N 424.461 -0.234 50 20 HBGD O=C(CN1C(=O)C=CC1=O)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781333839 GTNIDXKGMBQGKB-DZGCQCFKSA-N 418.219 -0.568 50 20 HBGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CNC(=O)C1)C2 1782179224 IRLJFBDFYZHVEN-HNSFDTNUSA-N 401.891 -0.110 50 20 HBGD O=C(/C=C/c1cnc[nH]1)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1784306150 MVOMPBYLOOPVCD-XJDXJNMNSA-N 410.239 -0.754 50 20 HBGD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)n[nH]1 1786984801 LDFYWBBSGQHPPZ-ZVZYQTTQSA-N 412.255 -0.695 50 20 HBGD C[C@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NNC(=O)C3)[C@H]2C1 1788553578 XKKGPSLUIRFHRT-BLFANLJRSA-N 415.288 -0.127 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC3(O)CCC3)[C@H]2C1 1791824008 SJRLAFVLRBQCAM-JYJNAYRXSA-N 410.515 -0.356 50 20 HBGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(C)(=O)=O)C2 1792868180 SYGYXAYDKDAOKS-KQXIARHKSA-N 411.318 -0.348 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccc(O)cc1 1798944290 DBEHWJSUKSXBBH-HGKCTWBKSA-N 410.235 -0.411 50 20 HBGD CS(=O)(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Br 1799352367 SLRAQYXCDZSPQY-QCMRWSPLSA-N 415.281 -0.299 50 20 HBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1800977230 VCGPLVCJPZQTSN-WYFGTUCQSA-N 401.807 -0.225 50 20 HBGD COC(=O)C1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnccc2C(=O)NN)C3)CC1 1801707694 WGPHXAYMZJNXOR-CLLJXQQHSA-N 415.450 -0.110 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn(C)c3)CCO2)C1 1834176340 LPMYMFAINPEYRA-PBHICJAKSA-N 400.863 -0.256 50 20 HBGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(N)=O)C2)C1 1840035079 FSZOUVWWBPBISX-ABAIWWIYSA-N 406.277 -0.508 50 20 HBGD Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c[nH]1 1840184598 WOFRPHNDRUMOFN-HXUWFJFHSA-N 421.498 -0.234 50 20 HBGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(N)=O)CCO2)C1 1840921624 IXVFELJFTQOGHO-XHDPSFHLSA-N 421.292 -0.715 50 20 HBGD CN(C)c1cncc(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)c1 1842173050 ONNCTUOXCWETHK-UHFFFAOYSA-N 408.267 -0.042 50 20 HBGD CS(=O)(=O)c1ccc(C(=O)N2CCCC23CN(C(=O)[C@H](O)CCl)C3)nc1 1842254184 MOEAWGWZXGEVAK-CYBMUJFWSA-N 401.872 -0.098 50 20 HBGD CC[C@H](C)NC(=O)CN1CCN(C(=O)NNC(=O)CNC(=O)c2cccs2)CC1 728952472 ZMKSAMOPTXZVGE-ZDUSSCGKSA-N 424.527 -0.249 50 20 HBGD CN(C)CC(=O)NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 733359363 NLFIGXCPGZEQAH-GFCCVEGCSA-N 413.456 -0.296 50 20 HBGD O=C(CN1C(=O)Cn2c(cc3ccccc32)C1=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 743844965 CSWKHWYFLVLSDN-GFCCVEGCSA-N 418.431 -0.794 50 20 HBGD Cn1cnc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1 751260792 OPKOVUPLODVSCO-UHFFFAOYSA-N 413.481 -0.172 50 20 HBGD CCOC(=O)c1cc(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cn1C 760509608 LLMDUGCPFIKJNK-UHFFFAOYSA-N 419.423 -0.199 50 20 HBGD CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NNC(=O)COc1ccccc1C#N 763809314 VDCDCCDCPLWFCR-UHFFFAOYSA-N 414.378 -0.367 50 20 HBGD C[C@H]1CN(Cc2ccccc2NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)C[C@@H](C)O1 764434646 QZFZMIFOCZQXNQ-VBQJREDUSA-N 420.466 -0.203 50 20 HBGD Cc1ccn(CC(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)c(=O)c1 774005619 BNZLMNBPRUMHKP-UHFFFAOYSA-N 420.495 -0.369 50 20 HBGD COc1coc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1=O 798673462 LOVUWWWGEWRVKQ-HNNXBMFYSA-N 404.331 -0.207 50 20 HBGD O=C(NNc1ccccc1S(=O)(=O)N1CCOCC1)C1CCS(=O)(=O)CC1 1252332160 ULXFEWRSDGVTKE-UHFFFAOYSA-N 417.509 -0.025 50 20 HBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNCP(=O)(O)O)C2)[C@@H](F)Cl 1778023292 WRFHEDHGLZHYRM-MPKXVKKWSA-N 415.786 -0.241 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cnn4c3CCC4)C2)C1 1782322433 MORPCRWOLOUYCQ-FQEVSTJZSA-N 418.498 -0.354 50 20 HBGD CC(C)N(C)CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1784770617 AJYIFRPTRBKFEO-HXUWFJFHSA-N 403.288 -0.850 50 20 HBGD C[Si](C)(C)OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCNC3=N)[C@H]2C1 1786842967 HDGKNVVBKXQMEY-KKUMJFAQSA-N 411.579 -0.342 50 20 HBGD Cc1c[nH]cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786979942 ROFNQLRNGSCTFJ-SNRMKQJTSA-N 411.267 -0.090 50 20 HBGD CC[C@H](C)[C@@H](N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984605 VGWSNGDDTRSPQR-LEYVVWKUSA-N 417.315 -0.667 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)c1cnc2ncccn12 1788001529 CZLATPFNSYDLHU-JURCDPSOSA-N 407.858 -0.078 50 20 HBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccnc3)C[C@@H]21 1788610892 ZZEDBFONJGRCQP-WBAXXEDZSA-N 424.461 -0.013 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cc(F)c[nH]1 1791114398 NNVFVBSUKGSCOH-OWQGQXMQSA-N 415.230 -0.259 50 20 HBGD C[C@@H]1CC[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)O1 1791291202 ORMIWRXESWHQSI-HMDCTGQHSA-N 410.515 -0.093 50 20 HBGD CS(=O)(=O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2 1795360891 XCBAHIXFRKBXLC-OEIWMXHLSA-N 401.254 -0.689 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCSC1)C2)c1ccc(B(O)O)cc1 1795736777 GKRDAFHQXPAMLP-CUSZFKRNSA-N 418.324 -0.287 50 20 HBGD O=C(CN1CCCCC1=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796192293 WTHOQBTYQKOUOT-BCDXTJNWSA-N 413.283 -0.369 50 20 HBGD CN1CC(C(=O)N[C@H]2CCc3nc(NC(=O)c4cccc(B(O)O)c4)sc3C2)C1 1815361382 BPSHGJGBTPUWLZ-AWEZNQCLSA-N 414.296 -0.390 50 20 HBGD O=C1CC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C(Cl)Cl)C3)C2)CN1 1829960191 QBUDMGLNXOQVGP-BZNIZROVSA-N 408.282 -0.227 50 20 HBGD O=C(CCc1cncnc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830724750 YVDOFBMXNSANJI-CRAIPNDOSA-N 412.874 -0.535 50 20 HBGD Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)nn1C 1830725936 SQVRLVWPNWKSFY-WMLDXEAASA-N 400.863 -0.602 50 20 HBGD O=C(c1cn2ncccc2n1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830728769 YBZXUQLJRWYWCD-KSSFIOAISA-N 423.857 -0.601 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)[C@@H]3C=CCN3)CC2)CC1 1835052397 AZXAJENZONNVBW-SFHVURJKSA-N 420.558 -0.541 50 20 HBGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(=S)NC)CCO2)C1 1837467198 ZHTKHUZLKZRHLT-SUMWQHHRSA-N 420.963 -0.056 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)CNC3=O)C2)C1 1839142289 LLRLDUJJPLBJBP-YVEFUNNKSA-N 416.862 -0.988 50 20 HBGD C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(Cl)Cl)CCO2)C1 1840188356 FYCFTWKOLJZGQT-BZNIZROVSA-N 408.282 -0.063 50 20 HBGD Cc1[nH]nc(C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)c1F 1844263675 HRSMHJXUHZMOGU-UHFFFAOYSA-N 401.402 -0.013 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)CCN1CCOCC1)C2 1844264050 YBZPWQFLWFTSSQ-UHFFFAOYSA-N 416.482 -0.776 50 20 HBGD Cc1nc(S(=O)(=O)NCC(=O)NNC(=O)Cn2cnc3ccccc32)cn1C 726767051 DSVPQBMOFBZEIE-UHFFFAOYSA-N 405.440 -0.796 50 20 HBGD CC(C)NS(=O)(=O)c1ccc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1 729275777 RMECYGGCZLMABE-SNVBAGLBSA-N 406.486 -0.928 50 20 HBGD COCCS(=O)(=O)CC(=O)NNC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 734825310 YMWDVZNASRNMOM-UHFFFAOYSA-N 422.504 -0.223 50 20 HBGD CC(C)(C)OC(=O)N(CC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)C[C@@H]1CCCO1 741893713 DGLVDSUCKRSJCX-STQMWFEESA-N 419.500 -0.015 50 20 HBGD Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(=NNC(=O)Cc2cc(O)nc(O)n2)CC1 743446447 YGWXWKKGRQXOFP-UHFFFAOYSA-N 423.455 -0.273 50 20 HBGD CCc1nncn1CCNC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 745912491 UKECQZPLHWXNEW-UHFFFAOYSA-N 423.499 -0.200 50 20 HBGD CC(=O)Nc1cncc(C(=O)NNC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)c1 746306362 CLMAFASNPKKKER-MRXNPFEDSA-N 409.406 -0.079 50 20 HBGD CN1CCN(Cc2ccc(CNC(=O)NNC(=O)C(=O)N3CCCC3)cc2)CC1 748444104 HLOCSNKZEUBAOX-UHFFFAOYSA-N 402.499 -0.113 50 20 HBGD CS(=O)(=O)CCOc1cccc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 756298525 XZRDNQYTEURLRS-NSHDSACASA-N 419.481 -0.303 50 20 HBGD CCc1nc2ccccc2n1CC(=O)NNC(=O)CN1CCN(S(C)(=O)=O)CC1 759689899 QSAAYWKQQLRJRB-UHFFFAOYSA-N 422.511 -0.677 50 20 HBGD CC[C@@H](C)Oc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1 764228562 YFZWXBXBYJAPGR-GHMZBOCLSA-N 400.457 -0.113 50 20 HBGD CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNC(=O)c1ccc(C)o1)CC2 764371057 VYXUWUPPHYJWQD-UHFFFAOYSA-N 406.420 -0.154 50 20 HBGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccc(I)cc1 764424515 IXLMSGLQPHWKMN-JTQLQIEISA-N 419.175 -0.208 50 20 HBGD CN(C)S(=O)(=O)c1cc(C(=O)NNC(=O)c2nnc(O)c3ccccc23)n(C)c1 778533206 ZXOPSRICEOIJID-UHFFFAOYSA-N 418.435 -0.001 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)CC(C)(C)O)CC2)cc1 792238410 SLMWQTTYYBMZIA-UHFFFAOYSA-N 412.512 -0.390 50 20 HBGD C[C@H]1CCC(=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)[C@H](n2cncn2)C1 794489002 VWSKBNIGKFYSNT-CMPLNLGQSA-N 406.472 -0.304 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C[C@@H]1COCCN1C(=O)OC(C)(C)C 806787573 JTVBORXQGZNMML-WDEREUQCSA-N 408.477 -0.903 50 20 HBGD CN(C)S(=O)(=O)NCC(=O)NNC(=O)COc1ccc(Br)cc1 816810545 PRQOVXLLUUFOGA-UHFFFAOYSA-N 409.262 -0.629 50 20 HBGD COCCN1C[C@@H](C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)CC1=O 914590645 PTLDAJIOLWOTNR-SWLSCSKDSA-N 421.406 -0.988 50 20 HBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)C2(C#N)CCOCC2)CC1 1318660842 IJISISFHKLINOM-UHFFFAOYSA-N 408.484 -0.219 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCc2nnc(C)n2C)cc1 1321626099 NAQOOAAKIHPRGA-UHFFFAOYSA-N 409.472 -0.417 50 20 HBGD COc1cccc(S(C)(=O)=O)c1NNC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 1324015971 LWQKWUUOCVKOHW-LLVKDONJSA-N 405.498 -0.339 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3cc(F)c[nH]3)C2)C1 1783629863 VKPXKNUKMGVHDX-IBGZPJMESA-N 401.203 -0.409 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ccns1 1785813720 WXIKEDMPBDRCNK-BPUTZDHNSA-N 415.280 -0.270 50 20 HBGD Cc1c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)cnn1C 1791288830 WHTLJAZMYWABEU-XIRDDKMYSA-N 420.514 -0.305 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(OCF)cn1)C2)[C@@H](O)CCl 1792976225 QDBXEHMGCVXJNM-QPPBUOOMSA-N 402.810 -0.415 50 20 HBGD CC(=O)N(C)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796190171 XDYAVAUVTHXNDQ-BCDXTJNWSA-N 401.272 -0.513 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1cnc(O)nc1O 1796190995 MMRCVLZABFOGCN-BTTYYORXSA-N 412.211 -0.867 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@@]1(F)Cl)C2 1801012138 HTJDCZJMLPYVGK-FRJNNAICSA-N 404.870 -0.127 50 20 HBGD NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807373243 QBAYANKANLWWDB-JXFKEZNVSA-N 424.266 -0.654 50 20 HBGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncn(C)n3)CCO2)C1 1833883907 VKQHSMWRWHUJJA-ABAIWWIYSA-N 416.276 -0.332 50 20 HBGD CNC(=O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1839150322 JFGITHZGIQBRDD-HZPDHXFCSA-N 410.298 -0.185 50 20 HBGD CC[S@](=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](Cl)COC)CCO2 1840153150 FYKLLSVWCACXIC-SQDTZKNQSA-N 424.947 -0.145 50 20 HBGD COc1ccc(C(=O)NNC(=O)CN2CCC[C@@H](CS(N)(=O)=O)C2)cc1OC 733996057 CYIQTKZHHWWOEP-GFCCVEGCSA-N 414.484 -0.535 50 20 HBGD COC(=O)c1cc(Cl)cc(S(=O)(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 741648139 WOTWCPULXMWSMW-QMMMGPOBSA-N 410.857 -0.129 50 20 HBGD Cc1ccc(C(=O)NNC(=O)CN2CCN(S(=O)(=O)Cc3ccon3)CC2)cc1 744414744 JDBYZLCAMBWQAG-UHFFFAOYSA-N 421.479 -0.108 50 20 HBGD CC(=O)N1CCN(C(=O)CCNC(=O)NNC(=O)Cc2cn3ccccc3n2)CC1 746769003 IREJYRIAKYADCC-UHFFFAOYSA-N 415.454 -0.712 50 20 HBGD CCc1noc(C)c1NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 757769560 AQOLLBMDJAUSTF-UHFFFAOYSA-N 404.387 -0.855 50 20 HBGD CCN1CCC[C@@H]1CN1C[C@H](C(=O)NNC(=O)C(=O)Nc2ccccn2)CC1=O 758830291 JENMYXNTOVPXDM-ZIAGYGMSSA-N 402.455 -0.500 50 20 HBGD COc1ncc(NC(=O)C(=O)NNC(=O)CCOc2ccccc2)cc1C(N)=O 764161019 NBEHSSHXIHZINH-UHFFFAOYSA-N 401.379 -0.256 50 20 HBGD Cn1c(C=NNC(=O)C(=O)NCc2ccc(Cl)cc2)nc2c1c(O)nc(=O)n2C 771572292 AGDYMLGNWSUSCO-UHFFFAOYSA-N 417.813 -0.208 50 20 HBGD C[C@@H](CNC(=O)C(=O)NNC(=O)[C@@H](C)Oc1cccc(Cl)c1)S(N)(=O)=O 774010499 XPBYVKVDMQWCFI-DTWKUNHWSA-N 406.848 -0.952 50 20 HBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)[C@H]2CCc3nccn3C2)CC1 788002369 ZJQRKDXFIJLGMM-AWEZNQCLSA-N 419.511 -0.080 50 20 HBGD CC(=O)N[C@](C)(C(=O)NNC(=O)N1CCOCC1)c1ccc(S(C)(=O)=O)cc1 797715325 GQDOTGJZSXLNSR-KRWDZBQOSA-N 412.468 -0.486 50 20 HBGD CCNC(=O)N(C)NC(=O)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 807014799 MDBSGCGNGQDMNA-OLZOCXBDSA-N 403.439 -0.286 50 20 HBGD O=C(CCC(=O)c1ccc2c(c1)OCCO2)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919886225 RHKLBPNIOPOFDA-LBPRGKRZSA-N 411.436 -0.062 50 20 HBGD C[C@@H](NC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1)c1nnnn1C 1123737511 CXKVZVVROUFYBZ-CQSZACIVSA-N 401.475 -0.186 50 20 HBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)Nc1cccnc1 1797888330 GIUYKRKTKJOXCT-AYRXBEOTSA-N 410.858 -0.137 50 20 HBGD CCc1[nH]nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)c1F 1801009398 DZVVTKONVOWRDZ-DPIQGUFMSA-N 424.477 -0.313 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H](O)CC1 1801128448 UECDFSUOTKEQIB-UTIGFIHBSA-N 416.283 -0.879 50 20 HBGD N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)CCC1 1801984175 ILHOAIWDZNOXFN-YWVIFJGQSA-N 412.450 -0.418 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccno1)CCO2 1834154740 MKYRLNLBWRNWTH-GOSISDBHSA-N 409.443 -0.882 50 20 HBGD O=C(COCCO)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839201589 BKJRARJGIFYJMC-TZMCWYRMSA-N 413.240 -0.858 50 20 HBGD CCN1C[C@H](C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)CC1=O 728214146 LZOMHJIOJFTSGY-CQSZACIVSA-N 409.512 -0.066 50 20 HBGD O=C(COCc1ccccc1)NNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 737926320 FBAAFIVQPHMSOJ-HUUCEWRRSA-N 409.464 -0.614 50 20 HBGD O=C(NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1)NNC(=O)C(=O)NC1CC1 750336230 ZRKLJVCXSDUJIM-UHFFFAOYSA-N 422.873 -0.402 50 20 HBGD CON(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)CNC(=O)c2ccco2)cc1 751204707 NIESSWHLHDBHSJ-UHFFFAOYSA-N 410.408 -0.348 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(OCC(=O)N(C)C)cc1 755646928 SEHJIACATMGBTA-JTQLQIEISA-N 401.445 -0.756 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cc(Br)c(=O)n(C)c1 757679207 RYZYZYSVEHZMOD-LURJTMIESA-N 410.250 -0.762 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(F)cc1CS(C)(=O)=O 757679414 VDCYWUGBYHQMSB-MRVPVSSYSA-N 410.449 -0.539 50 20 HBGD CCS(=O)(=O)NCC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 758076038 LHNFNTSMDDMWFI-UHFFFAOYSA-N 418.497 -0.829 50 20 HBGD CNC(=O)Cn1nc(NC(=O)C(=O)NNC(=O)C(F)(F)Oc2ccccc2)cc1C 764370985 VCKQOABYDIDOOI-UHFFFAOYSA-N 424.364 -0.305 50 20 HBGD CNC(=O)C1(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)CCC1 766645019 YJKAGJPAFHFBOT-UHFFFAOYSA-N 401.467 -0.492 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Cc2ccc(F)cc2Cl)n(C)c1=O 768292123 VQRBJCJGHYYOCX-UHFFFAOYSA-N 422.804 -0.384 50 20 HBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1N1CCOCC1 776294828 WKKSODFTGPSAET-NSHDSACASA-N 412.424 -0.373 50 20 HBGD CNS(=O)(=O)N1CCC(C(=O)NNC(=S)NCCc2cccs2)CC1 803159126 AANPXKYVWVQVQH-UHFFFAOYSA-N 405.571 -0.038 50 20 HBGD CC(=O)Nc1ncc(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)s1 808087660 UHLBVFQFOLTUNY-UHFFFAOYSA-N 403.467 -0.098 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(-c2ccccn2)cc1 810386864 VIVWRJLYEYJKQU-LLVKDONJSA-N 405.436 -0.228 50 20 HBGD O=C(CCn1cccn1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 918187225 ZTCXJDXCEJKLNO-UHFFFAOYSA-N 407.452 -0.245 50 20 HBGD CSC[C@@H](C(=O)NNC(=O)CN1CCCC1=O)N1C(=O)[C@H]2CCCC[C@H]2C1=O 920827433 TYOOIAHPCMBHES-XQQFMLRXSA-N 410.496 -0.337 50 20 HBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](F)Cl)CCO2 1779067254 BAIYLQJTASWGEF-HEHGZKQESA-N 408.810 -0.155 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1C[C@@H](O)C1)C2 1782215015 PJBXBNSAAOQTEG-UIVXKWKOSA-N 410.515 -0.356 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cncc(O)c1)CCO2 1783937945 YQEOZPKHVTWHEE-LJQANCHMSA-N 405.455 -0.396 50 20 HBGD O=C(CCN1CCOC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1788135792 UUVHPPGNLYBRCE-FQUUOJAGSA-N 403.863 -0.592 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@](C)(O)CC(=O)O)[C@H]2C1 1791287116 IPCAKTFGBHEAHW-NTIKPUAMSA-N 420.890 -0.164 50 20 HBGD COC[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796439510 IDHDFURYKHZUFR-RMTJUBHUSA-N 419.482 -0.008 50 20 HBGD Cn1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)c1 1797749786 SKUUNUVHYIJHHB-XOIINTDNSA-N 412.450 -0.459 50 20 HBGD CC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCN(C(C)=O)CC1)C2 1799267557 BFLYCALGYQWPQV-DFGXFYAUSA-N 414.934 -0.243 50 20 HBGD C[C@@H](CC(N)=O)C(=O)N1CCCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1 1806129848 KPOGGOLRZWFNMQ-HNNXBMFYSA-N 415.299 -0.277 50 20 HBGD NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1812629231 VYWNKFGAGAWSIF-UZLBHIALSA-N 424.266 -0.654 50 20 HBGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)C1CC(O)C1)CC2)c1ccc(B(O)O)cc1 1815335992 WAHUTEPIRHYWMX-QRMWWUJWSA-N 415.280 -0.180 50 20 HBGD CCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](Cl)COC)C2)C1 1831192311 XNVGKQQLBFTAGK-GLJUWKHASA-N 419.906 -0.389 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)CNC(N)=O)CC1 1832940086 HZHUWKYWXHZOLI-OAHLLOKOSA-N 410.519 -0.353 50 20 HBGD CC(C)(C)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1834781522 JGFLKXUDJIEARA-NRFANRHFSA-N 418.299 -0.127 50 20 HBGD O=C(CC1CCOCC1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1835415928 KYHQYAYIERRYIX-YJBOKZPZSA-N 404.891 -0.141 50 20 HBGD Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)no1 1840183427 DPCGJNYTHPEKBF-LJQANCHMSA-N 423.470 -0.574 50 20 HBGD CCOC(=O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840882011 AGKAIAAXKNKEDK-SCLBCKFNSA-N 420.890 -0.368 50 20 HBGD C[C@@]1(NNC(=O)NCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)CCS(=O)(=O)C1 726283416 ZGLWBKMCGGIUSL-IAGOWNOFSA-N 409.468 -0.378 50 20 HBGD Cn1cc(S(N)(=O)=O)cc1C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1 728209553 GEGQSENGPNAZLC-UHFFFAOYSA-N 413.481 -0.130 50 20 HBGD COCCCNC(=O)[C@@H](C)N1CCN(CC(=O)NNC(=O)c2ccccc2)CC1 728932828 REUYEBMLBRVWCD-MRXNPFEDSA-N 405.499 -0.394 50 20 HBGD C[C@H]1CN(CCC(=O)NNC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)C[C@@H](C)O1 732261905 OYTSJGZIPZASEL-VBQJREDUSA-N 416.482 -0.247 50 20 HBGD CN(C)c1nccc(NNC(=O)Cn2cnc3c(c(Br)nn3C)c2=O)n1 740102941 RUZWLPRTXNNQHZ-UHFFFAOYSA-N 422.247 -0.108 50 20 HBGD CCC(CC)NC(=O)C(=O)NNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 740851688 RBOOQPLJNVESTM-UHFFFAOYSA-N 409.468 -0.433 50 20 HBGD COc1ccccc1OCC(=O)NNC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 742472568 SFSAULRBBOAIFD-DTDBQYNISA-N 417.418 -0.226 50 20 HBGD C[C@@H](CS(C)(=O)=O)C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 746892127 NCOBOWXDMGHEEJ-LBPRGKRZSA-N 419.529 -0.859 50 20 HBGD C=CCN1C(=O)C(=O)N(CC(=O)NNC(=O)COc2ccccc2OCC)C1=O 748545257 PPDDWHVHUKGDKN-UHFFFAOYSA-N 404.379 -0.412 50 20 HBGD C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NNC(=O)C(=O)Nc1ccccn1)C2=O 758838097 BCJDIIPMJSAYKB-ADLMAVQZSA-N 402.411 -0.332 50 20 HBGD CCCOC(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1 764230433 ICGGVZGREZWPFC-SNVBAGLBSA-N 414.440 -0.723 50 20 HBGD COCC(=O)NNC(=O)C(=O)Nc1ccnn1Cc1c(OC)cc(OC)cc1OC 764302364 CMGBUMWLORKROS-UHFFFAOYSA-N 421.410 -0.311 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)/C=C\c2ccc(Cl)cc2)n(C)c1=O 765732985 ZHHZHOSUHXYSIB-YVMONPNESA-N 416.825 -0.052 50 20 HBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 779622178 HTUFODYKWYSBNP-HUUCEWRRSA-N 404.533 -0.305 50 20 HBGD CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)NNC(=O)NCC(=O)OC)cc1 779844938 MCQRSAFWBFYKJD-UHFFFAOYSA-N 422.485 -0.106 50 20 HBGD CO[C@H]1CCC[C@@H](CC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1 793674018 JIIWNURZHQKWTN-NEPJUHHUSA-N 406.443 -0.824 50 20 HBGD CO[C@H](C(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1)c1cnn(C)c1 798827212 VNWARECAYLGYNP-INIZCTEOSA-N 409.468 -0.116 50 20 HBGD CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 799857028 OYOMKEYKEHXFFM-GXTWGEPZSA-N 422.471 -0.676 50 20 HBGD Cn1nnc2c1C[C@@H](C(=O)OCC(=O)NNC(=O)[C@H]1COc3ccccc3O1)CC2 811342086 HZTILASLIUEIKX-MEDUHNTESA-N 415.406 -0.549 50 20 HBGD NS(=O)(=O)N1CCC[C@@H](C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)C1 815266073 NIAGYPKHLBCLFC-LLVKDONJSA-N 418.859 -0.440 50 20 HBGD CC(=O)NNC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 825297176 MWTFMAHRGCZRMZ-NSHDSACASA-N 410.374 -0.215 50 20 HBGD Cc1ncc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)[nH]1 1779029238 PSYLPOOTXNPHTD-IBGZPJMESA-N 413.438 -0.526 50 20 HBGD N#Cc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)cc1 1780695352 BZVKGOCLCOTRJE-QFIPXVFZSA-N 419.246 -0.005 50 20 HBGD O=C1C[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]3C2)CN1 1789924784 DMINKLYDNNOOPM-FBUUZDRASA-N 406.252 -0.207 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@]1(F)Cl)C2)c1ccc(B(O)O)cc1 1795737012 TXDABSDZEWKBIM-ORABNUQBSA-N 410.638 -0.506 50 20 HBGD CC(=O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797748599 LNBPVWAZRUECFP-YWVIFJGQSA-N 417.466 -0.497 50 20 HBGD Cc1n[nH]c(C)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1798013550 SRDFDPSNMFNAHN-JLVBRIDZSA-N 412.255 -0.777 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)c1ccccc1)C2 1801013303 MGEFYQIQBDYTAO-JSJNYSNDSA-N 418.494 -0.317 50 20 HBGD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1)[C@H](O)CCl 1803135684 FOSGHFPPEHDRJM-ZENOOKHLSA-N 423.857 -0.761 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CNC(N)=O)n[nH]1 1823541735 PSMWYFZMQRDUQD-LBPRGKRZSA-N 408.463 -0.557 50 20 HBGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCO2)C1 1835748996 XWZNOGWHVMDZME-OGHNNQOOSA-N 404.895 -0.947 50 20 HBGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3nccn3)C2)C1 1840034700 USUZKFCBLUESHU-IUODEOHRSA-N 416.276 -0.482 50 20 HBGD O=C(c1ncc(Cl)cn1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010764 AVCCRHHPNFGOGC-UHFFFAOYSA-N 400.631 -0.059 50 20 HBGD CN1CCCC[C@H]1C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844263350 VAOBAYHYRRQALD-INIZCTEOSA-N 400.483 -0.014 50 20 HBGD CC(C)(NCCC#N)C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844263992 SGAIPAJHYBJGNS-UHFFFAOYSA-N 413.482 -0.216 50 20 HBGD CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847507347 IDHHPNDDMJFMGW-ZDEQEGDKSA-N 405.879 -0.327 50 20 HBGD Cn1nc(C(=O)NNC(=O)[C@@H]2CCCCN2S(C)(=O)=O)c2ccccc2c1=O 25535080 JAFJTCXCWLOECM-ZDUSSCGKSA-N 407.452 -0.491 50 20 HBGD Cc1ccc(C(=O)NNS(=O)(=O)c2cnc3c(c2)c(O)nc(=O)n3C)c(O)c1 728504954 ZSSGDKLXSLLWBB-UHFFFAOYSA-N 405.392 -0.329 50 20 HBGD CN(C)N(C(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)[C@H]1CCS(=O)(=O)C1 731963608 OZDRREVBSNOYFK-HOTGVXAUSA-N 416.544 -0.808 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)Cc3cc[nH]n3)CC2)cc1 755284206 PZMDCCOTHZDVJC-UHFFFAOYSA-N 420.495 -0.585 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Cc1csc(NC(=O)c2ccco2)n1 758033962 CRLRAWPSEFOLPL-MRVPVSSYSA-N 415.453 -0.384 50 20 HBGD CC(C)Oc1cc(F)ccc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 764227980 SVKSNSJXEWSETR-VIFPVBQESA-N 404.420 -0.364 50 20 HBGD Cc1cn(-c2ccccc2)nc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 764231065 MAHFVPSJDJSSLU-NSHDSACASA-N 408.440 -0.796 50 20 HBGD CCN1CCN(Cc2ccc(NC(=O)C(=O)NNC(=O)c3cnn(C)c3)cc2)CC1 764360256 VSLBKTZHPUFOEP-UHFFFAOYSA-N 413.482 -0.043 50 20 HBGD NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)NNC(=O)COCc2ccccc2)c1 764368376 VNGIWQSMOKSCJC-UHFFFAOYSA-N 424.410 -0.224 50 20 HBGD O=C(NCc1ccc(N2CCCS2(=O)=O)cc1)NNC(=O)C(=O)N1CCCC1 764774500 WVOVDCNTROXYKE-UHFFFAOYSA-N 409.468 -0.321 50 20 HBGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1ccc(-n2ccnn2)cc1 784004707 KAJAHTGPBIAKEI-UHFFFAOYSA-N 413.419 -0.155 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCCc3cnn(C)c3)nc2)CC1 916595200 RMFWRUZXXSFRKR-UHFFFAOYSA-N 422.515 -0.380 50 20 HBGD CNC(=O)c1cccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)n1 1319154112 SBJMCKLYXQWZRP-UHFFFAOYSA-N 405.436 -0.234 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3ncccc3F)C2)C1 1779811525 VQRHOOJKHTXUQD-FQEVSTJZSA-N 413.214 -0.342 50 20 HBGD CC[C@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1781047558 CMCLHVXXNYUZFA-QCQGSNGOSA-N 404.305 -0.287 50 20 HBGD C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783934540 IRWYUCQQOLANQS-MGPUTAFESA-N 410.515 -0.238 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)C(F)(F)Cl)C2)C1 1784175791 XEPFDQQQRUBVEZ-HNNXBMFYSA-N 417.800 -0.040 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(=O)n3O)[C@H]2C1 1785634693 MKUDCCJXXZDSPZ-ABHRYQDASA-N 413.858 -0.067 50 20 HBGD Cc1ncncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1788970257 XCLTWGYQVXHAQJ-SNRMKQJTSA-N 424.266 -0.628 50 20 HBGD C[C@@H](CS(C)(=O)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1793595693 ADVBQIGYDZBSAO-SJWGOKEGSA-N 422.312 -0.701 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccccn1 1794650219 YQKGBZPWJIQSDM-FVCICTRLSA-N 410.434 -0.403 50 20 HBGD O=C(Cn1ccnn1)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809978613 YZCSCJJANBCNNT-UHFFFAOYSA-N 411.271 -0.497 50 20 HBGD CC[C@@H](O)C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815335691 KRYDUXCDZRSGLI-GXTWGEPZSA-N 403.269 -0.180 50 20 HBGD COC[C@@H](Cl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](N)CCC(N)=O)CC2 1825999512 SPXUOUSFXBKYFS-BBBLOLIVSA-N 417.919 -0.098 50 20 HBGD Cc1nccn1[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1 1830737322 HANHKZMRDMMQJB-XUWXXGDYSA-N 414.890 -0.191 50 20 HBGD NC(=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1831405218 FWYRSCCKRJYNCD-GOSISDBHSA-N 415.299 -0.135 50 20 HBGD C[C@H](CC(N)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1831608288 CNYGZEHJQVZSTJ-GMXABZIVSA-N 424.267 -0.355 50 20 HBGD CC[C@@H](O)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1836664310 HZJLNLBNPXYJRY-LJQANCHMSA-N 418.299 -0.251 50 20 HBGD O=C(c1ccc2nn[nH]c2c1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839628317 ZGDFGRQXVIUFMU-CRAIPNDOSA-N 423.857 -0.372 50 20 HBGD O=C(CN1CCOC1=O)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840186864 QJKJPPZKKYRMOK-OAHLLOKOSA-N 410.254 -0.301 50 20 HBGD CC(C)/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840624915 QDSQLRZFEPAYTG-BXKJMJEDSA-N 416.283 -0.351 50 20 HBGD Cn1c(=O)c2c(ncn2CCC(=O)NNC(=O)C(C)(C)c2ccccc2)n(C)c1=O 731175184 UWFLKWQOVOEING-UHFFFAOYSA-N 412.450 -0.051 50 20 HBGD CN(c1ccc(CNC(=O)NN[C@]2(C)CCS(=O)(=O)C2)cc1)S(C)(=O)=O 732475858 RWWDAWWXWORAAJ-OAHLLOKOSA-N 404.514 -0.037 50 20 HBGD O=C(CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)COc1ccccc1F 742470507 GXLKYPZCABFXEU-KFZJALRRSA-N 405.382 -0.096 50 20 HBGD COc1cc(OC)cc(N2CC[C@H](NC(=O)NNC(=O)C(=O)NC3CC3)C2=O)c1 747956782 UTANDCPMGUNVBZ-AWEZNQCLSA-N 405.411 -0.582 50 20 HBGD CCOC(=O)c1ccc(N2CC(NC(=O)NN[C@]3(C)CCS(=O)(=O)C3)C2)nc1 753279348 JZLZJKBPIKCVJJ-QGZVFWFLSA-N 411.484 -0.172 50 20 HBGD Cn1nc(SCC(=O)NN=Cc2ccc3c(c2)oc(=O)n3C)c(=O)n(C)c1=O 754924580 WDAJPCVDPUTACH-UHFFFAOYSA-N 404.408 -0.834 50 20 HBGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccc(-c2nnc3n2CCCC3)cc1 764435529 WNYMNDPRYYDIBQ-AWEZNQCLSA-N 414.422 -0.217 50 20 HBGD CC(=O)c1ccc(CC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 766640779 WGUHYOQLXHAVGT-UHFFFAOYSA-N 412.406 -0.974 50 20 HBGD Cc1nc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)ccc1Br 773548255 WCNLPHAHJFRTFF-SSDOTTSWSA-N 422.261 -0.824 50 20 HBGD Cc1nn(CC(C)C)c(C)c1S(=O)(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 783815306 DYZGEYKAPQPNKC-GFCCVEGCSA-N 407.518 -0.164 50 20 HBGD Cn1cc(C(=O)CCC(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cn1 796160088 ZQICHTZVPQDTMB-MRXNPFEDSA-N 416.390 -0.086 50 20 HBGD CC(=O)N[C@@](C)(C(=O)NNC(=O)N1CCOCC1)c1ccc(S(C)(=O)=O)cc1 797715326 GQDOTGJZSXLNSR-QGZVFWFLSA-N 412.468 -0.486 50 20 HBGD COC[C@@]1(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)CCN(C(=O)OC(C)(C)C)C1 810346418 OTIFIGPHVXFTEB-MEDUHNTESA-N 422.504 -0.655 50 20 HBGD C[C@@H](CNC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1)CN1CCN(C)CC1 1319173065 VBJCTBOKTSVCKS-AWEZNQCLSA-N 411.528 -0.082 50 20 HBGD N#Cc1cccc(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)c1 1780599936 IZOLVWKIWWSZNV-QFIPXVFZSA-N 419.246 -0.005 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)COc1cccnn1)CCO2 1783938053 QYARLAYHPYRBTJ-LJQANCHMSA-N 420.470 -0.942 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)[C@@H]1CCCS1(=O)=O 1790744597 IOJNNVHDFKUZNH-HPCHECBXSA-N 408.904 -0.857 50 20 HBGD NC(=O)CC[C@H](N)C(=O)N1CC[C@H](CNC(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1 1803138226 IBNMXOMKFQISRE-HOSILWTGSA-N 411.890 -0.720 50 20 HBGD C[C@H](NC=O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817476830 DNVNFHYEQODYIP-BLLLJJGKSA-N 413.243 -0.470 50 20 HBGD O=C1CN(CC(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H](O)CCl)CC2)C(=O)N1 1824178852 LSRGAYIVIWZKPV-ZIAGYGMSSA-N 414.890 -0.242 50 20 HBGD O=C1NC(=O)[C@H](CC(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@@H](O)CCl)CC2)N1 1825071210 OMICQDHODHKEQS-IHRRRGAJSA-N 414.890 -0.196 50 20 HBGD Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)on1 1830726974 YPORLLMLGFZPMP-WMLDXEAASA-N 401.847 -0.418 50 20 HBGD O=C(CN1CCOCC1)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1835397490 NQXQYJOIIBPMFO-INIZCTEOSA-N 410.298 -0.421 50 20 HBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC2(CCCN2C(=O)CNC(N)=O)C1 1847106981 UXRZWXCSQYJWKI-NSHDSACASA-N 417.894 -0.010 50 20 HBGD NS(=O)(=O)c1cccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCCO3)c1 22411103 MVAVAZZMZZCQKK-UHFFFAOYSA-N 413.433 -0.272 50 20 HBGD COc1cc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)cc([N+](=O)[O-])c1O 730569205 RAKDSKKCSZRUBG-UHFFFAOYSA-N 424.395 -0.656 50 20 HBGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NNC(=O)CN(C)C)o1 733359391 GPDZWORNPBIUDV-NSHDSACASA-N 416.456 -0.682 50 20 HBGD O=C(CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NNC(=O)[C@@H]1COc2ccccc2O1 742471012 ZOYWNHADAHVTIF-CNRIWFPOSA-N 401.375 -0.864 50 20 HBGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 742476574 AUDYXACQRXEEMG-OFQRWPDDSA-N 405.382 -0.097 50 20 HBGD O=C(NCCN1CCN(Cc2ccccc2)CC1)NNC(=O)C(=O)N1CCCC1 748445642 DKALSQSGPKJGPR-UHFFFAOYSA-N 402.499 -0.243 50 20 HBGD CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 749334893 GNHXEXLRRVDXEQ-BZNIZROVSA-N 424.454 -0.064 50 20 HBGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2ccc(-n3cnnn3)cc2)n1 752861258 SZFLESUGIDYFBP-UHFFFAOYSA-N 401.408 -0.026 50 20 HBGD C[C@H](C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1F 765725040 PICWNLTVFZYNDL-JTQLQIEISA-N 402.386 -0.476 50 20 HBGD C[C@@]1(c2cccc(C(=O)NNC(=O)CNC(=O)c3cccs3)c2)NC(=O)NC1=O 769013524 OXYQHFZWSGNDFO-SFHVURJKSA-N 415.431 -0.006 50 20 HBGD Cc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)cc1F 773884879 DQTZLQUMLULIEE-UHFFFAOYSA-N 414.397 -0.135 50 20 HBGD Cc1ccn(C)c(=O)c1NC(=O)C(=O)NNC(=O)CNC(=O)OCc1ccccc1 797369028 MMXSZOFWSDDIBW-UHFFFAOYSA-N 415.406 -0.294 50 20 HBGD Cc1csc(CC(=O)NNC(=O)COC(=O)CNc2ccccc2C(N)=O)n1 808583519 XYNBYGNFMIRXFJ-UHFFFAOYSA-N 405.436 -0.104 50 20 HBGD COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)N2CC[C@H](B(O)O)C2)cc1 864233622 JIRBKCXMTDCZLA-HNNXBMFYSA-N 414.289 -0.341 50 20 HBGD O=C(NNC(=O)c1cc(N2CCOC2=O)ccc1F)N[C@H]1CCS(=O)(=O)C1 1319068309 XPSQEUYODMXHJG-VIFPVBQESA-N 400.388 -0.087 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781333639 IMBUBNFACZBVBB-DZGCQCFKSA-N 423.283 -0.120 50 20 HBGD O=C1NC[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](F)Br)C[C@@H]32)O1 1784580769 IUGMMWYTNPBNTA-AJBSGBCOSA-N 408.224 -0.235 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3csnn3)[C@H]2C1 1784675170 SOMOQYSZTSUBFO-OBJOEFQTSA-N 410.500 -0.496 50 20 HBGD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)nn1C 1786008019 HNEWAWVXQHYMEE-ZOBUZTSGSA-N 420.514 -0.305 50 20 HBGD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1)C1(O)CCC1 1795736826 JQPSPSZYRYACTH-SCNOPHJPSA-N 416.283 -0.879 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@H]1CCOC1)C2)c1cccc(B(O)O)c1 1795741005 WCUSTKLIAALIIV-REGYPHIPSA-N 416.283 -0.614 50 20 HBGD CC[C@H](C)[C@H](N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797750496 IDRRAEAIHIRTRM-PMUIAIRXSA-N 418.498 -0.738 50 20 HBGD CC[C@H](NC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CO[Si](C)(C)C 1797954730 CWTQMOKXPKVPOQ-XFMPKHEZSA-N 400.552 -0.126 50 20 HBGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCS(C)(=O)=O)C2 1802339655 FNWKDPDJQDOIBC-BTTYYORXSA-N 402.517 -0.568 50 20 HBGD O=C(C[C@@H]1NC(=O)NC1=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](O)CCl)[nH]n1 1815765497 LNPFKDSIFNJCPP-HBNTYKKESA-N 412.834 -0.400 50 20 HBGD CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(B(O)O)cc4)C3)C2)CCC1 1829680058 QXYHJGHBZNPNMI-NRFANRHFSA-N 416.283 -0.373 50 20 HBGD O=C(c1nc2ccccn2n1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830723932 UWMDSRZWQSRUHN-SCLBCKFNSA-N 423.857 -0.601 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3cn[nH]c3)CC2)CC1 1835174562 OOHQIPMVJVNDSQ-UHFFFAOYSA-N 419.530 -0.032 50 20 HBGD CCCNC(=O)CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(B(O)O)cc1 1847740532 VTRZVJMNYAAXTP-IRXDYDNUSA-N 401.272 -0.512 50 20 HBGD CCc1sc(C(=O)NNC(=O)COC(=O)c2cn(CC(=O)N(C)C)nn2)cc1C 736797546 WEZVPXZQSGLEHZ-UHFFFAOYSA-N 422.467 -0.083 50 20 HBGD NC(=O)CS(=O)(=O)c1ccc(C(=O)NNC(=O)COc2ccc(F)cc2)cc1 742479128 ZMHPFMJDYAIGHX-UHFFFAOYSA-N 409.395 -0.075 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CCCSC(C)(C)C)n(C)c1=O 754080112 QOSLZAUABVRMOF-UHFFFAOYSA-N 410.500 -0.107 50 20 HBGD O=C(NC1CC1)N[C@H]1CCN(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)C1 760670929 URSJHEMVBZLOII-HNNXBMFYSA-N 416.486 -0.030 50 20 HBGD COc1ncnc(N(C)C)c1NC(=O)C(=O)NNC(=O)COc1ccccc1O 764276768 BGGBYCXEKLTSBA-UHFFFAOYSA-N 404.383 -0.578 50 20 HBGD CN(C)C(=O)CNC(=S)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 764518635 GUZBDBTYKIZTBK-UHFFFAOYSA-N 406.512 -0.972 50 20 HBGD Cn1cc(S(N)(=O)=O)cc1C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C 765417344 HAKIQWPKVPEWMP-UHFFFAOYSA-N 403.461 -0.262 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CCc2ccc(C#N)cc2)n(C)c1=O 765725320 QQQROCZKCPIGEN-UHFFFAOYSA-N 409.406 -0.914 50 20 HBGD CCSCc1cc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)no1 770245927 NXHQETUKQQXENN-UHFFFAOYSA-N 421.439 -0.864 50 20 HBGD COc1cccc(C[C@H](C(=O)NNC(=O)N2CCN(C)CC2)n2nnnc2C)c1 773671726 AUYKJRDBRAZJGV-MRXNPFEDSA-N 402.459 -0.238 50 20 HBGD COCC1(C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1 778902445 KNEDXJKXEFPOIO-UHFFFAOYSA-N 424.523 -0.125 50 20 HBGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)c1cc(N2CCNC(=O)C2)ccn1 786985548 WDNLCJXUZBYUFE-UHFFFAOYSA-N 421.458 -0.514 50 20 HBGD C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 792855100 OVDVMBCKUCVGGZ-JSGCOSHPSA-N 414.509 -0.283 50 20 HBGD Cc1nc2ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c3cccs3)cn2n1 810396541 XXHPUQIUSNTEHL-UHFFFAOYSA-N 401.408 -0.385 50 20 HBGD CC(C)[C@H](C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)N1C(=O)c2ccccc2C1=O 920746030 QKGAABNHXYBQAG-BXUZGUMPSA-N 422.463 -0.175 50 20 HBGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)Cn1ncn2nccc2c1=O 1321757023 DIJWJSIYKOWCAA-UHFFFAOYSA-N 424.465 -0.749 50 20 HBGD CS(=O)(=O)c1cccc(NNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c1 1324939638 QZUMRNMQQWFESM-DGCLKSJQSA-N 415.493 -0.431 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cccn1)C2 1782211847 BIFSVLATSYFRFJ-OXQOHEQNSA-N 420.514 -0.230 50 20 HBGD CC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783932840 HHPLBPSLYOXFEN-KXBFYZLASA-N 411.503 -0.896 50 20 HBGD O=C(CC1(O)CCC1)N1CC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1784823979 JYMYWCDBVDTEEV-HXUWFJFHSA-N 402.256 -0.885 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccnc1S 1792502176 DIKPYLSAWAIUMQ-FVCICTRLSA-N 421.523 -0.054 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCCC1=O)C2)[C@H](F)Br 1799346256 MPXAHGSUYWBDPS-DJBIQUGXSA-N 406.252 -0.111 50 20 HBGD CN1CCC(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)CC1 1829996372 OUQJGVXWNDQLCR-VQIMIIECSA-N 417.934 -0.226 50 20 HBGD COc1ccnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1 1830731562 MFVOKXMYDWABMO-YJBOKZPZSA-N 413.858 -0.240 50 20 HBGD CNC(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CBr)C2)C1 1831265917 KTYLMXIHMFVSQQ-BLLLJJGKSA-N 420.304 -0.390 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=N)N)CCO2)C1 1835574151 GFKPIUUHADBQPI-LSDHHAIUSA-N 410.302 -0.838 50 20 HBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1836214342 ONLZHISSGLRHBJ-SWLSCSKDSA-N 416.276 -0.482 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NC(C)=O)CCO2 1839881338 TUAURXZFYQDRQH-HACGYAERSA-N 405.879 -0.779 50 20 HBGD O=C(CCn1ccnn1)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1840449237 IBZIYXCNGQDVLN-HNNXBMFYSA-N 406.270 -0.072 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)[C@@H]2CC[C@H]3CCC(=O)N3C2)C1 1845075774 KVFFNRVXMATHDS-CVEARBPZSA-N 419.526 -0.036 50 20 HBGD CN(C)C(=O)N1CCN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1 728945277 ZEENUXOMDPKUMH-UHFFFAOYSA-N 411.488 -0.367 50 20 HBGD Cn1c(=O)c2cc(C(=O)NNC(=O)c3cnn(-c4ccccc4)c3)cnc2n(C)c1=O 733108529 QWTZOXZVNSPDQQ-UHFFFAOYSA-N 419.401 -0.107 50 20 HBGD COCC(=O)N[C@H](C(=O)NNC(=O)c1sc(N2CCOCC2)nc1C)C(C)C 741207115 IYDAXDKDUFRTKU-ZDUSSCGKSA-N 413.500 -0.164 50 20 HBGD N#Cc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)[nH]1 751539670 VSDJXFFLWXWURH-UHFFFAOYSA-N 403.420 -0.018 50 20 HBGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cc2c(cc1C(=O)OC)OCO2 753840600 KADMFGJIWMBBMS-VIFPVBQESA-N 411.367 -0.661 50 20 HBGD Cc1ccc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(Cl)c1 755376598 PRUVKNLFBFQHND-UHFFFAOYSA-N 404.814 -0.143 50 20 HBGD COC(=O)c1cccc(NNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)c1 780796326 SXQKVPCEWMGDTA-UHFFFAOYSA-N 400.395 -0.246 50 20 HBGD O=C1N[C@H]2CCN(C(=O)NNC(=O)C3CCN(c4ncccn4)CC3)C[C@@H]2CO1 798531073 ZAESODCSKZRHAB-KGLIPLIRSA-N 403.443 -0.136 50 20 HBGD NS(=O)(=O)C[C@H]1CCCN1C(=O)NNC(=O)CNC(=O)OCc1ccccc1 799983479 GDVYPSRIGAVGJJ-CYBMUJFWSA-N 413.456 -0.594 50 20 HBGD CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)NNC(=O)C(=O)NC2CC2)cc1 920235605 QCKQIQVVQGAASP-UHFFFAOYSA-N 411.484 -0.176 50 20 HBGD COCCN1C(=O)/C(=C\NNC(=O)c2cc(OC)cc(OC)c2)C(=O)NC1=S 920978529 HWOXGCWDSBKSSB-LCYFTJDESA-N 408.436 -0.288 50 20 HBGD CCS(=O)(=O)C[C@H](C)NC(=O)NNC(=O)c1csc(N2CCOCC2)n1 1116063162 BYYPMVBYBZCWJN-JTQLQIEISA-N 405.502 -0.253 50 20 HBGD COCCO[C@@H]1C[C@H](CO)CN(CC(=O)NNC(=O)Cc2nc(C)cs2)C1 1320859280 QYGSUQJRXFHPQN-UONOGXRCSA-N 400.501 -0.513 50 20 HBGD O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1779098479 ICKATVVGIXEQSO-NYBIFMDASA-N 403.863 -0.055 50 20 HBGD CCNC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](Cl)COC)C2)C1 1783878374 XOZMHICGUKFAPW-IIYDPXPESA-N 404.895 -0.222 50 20 HBGD CCc1oncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1794944229 OKRRAKNLMJEDJW-ZSBFGKGUSA-N 413.239 -0.566 50 20 HBGD CCC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)COC1 1797753824 GMTFLIDNVUKVGS-YWVIFJGQSA-N 417.466 -0.685 50 20 HBGD COCCn1nccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](Cl)COC 1800977749 FEWDXSRGIMHULQ-FQLMCAECSA-N 414.890 -0.014 50 20 HBGD Cn1cnc(C(=O)N2CCC3(CCCN(C(=O)c4cccc(B(O)O)c4)C3)CC2)n1 1809975128 UYVWCPOGUCTPKN-UHFFFAOYSA-N 411.271 -0.347 50 20 HBGD C[C@@H](CN)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1814741430 KHCYMRXPPLVBKF-GXFFZTMASA-N 402.285 -0.357 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3csnn3)CCO2)C1 1831755652 XVUQTSNKFWDGEO-ABAIWWIYSA-N 404.876 -0.138 50 20 HBGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1835638107 ZPBZBZWRNFDFHS-SUMWQHHRSA-N 401.895 -0.700 50 20 HBGD O=C(c1cnn2cccnc12)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1836843575 QAJRQLSISFJHFL-RDTXWAMCSA-N 423.857 -0.601 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCOCC3)C2)C1 1839143600 BLNFDQNAWADJJF-QAPCUYQASA-N 403.907 -0.208 50 20 HBGD O=C(COCCO)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1839194446 KKHHTRXZKHGENR-TZMCWYRMSA-N 413.240 -0.858 50 20 HBGD CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1839202541 JDNLGGOCPVQYFU-IXPVHAAZSA-N 424.267 -0.342 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CNC(=O)C3)CCO2)C1 1839872795 LYJQZJRWQYBMIF-DQYPLSBCSA-N 422.309 -0.185 50 20 HBGD CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 7955889 BPIJGMPXCKDAEB-BBRMVZONSA-N 411.480 -0.212 50 20 HBGD CS(=O)(=O)NCCc1ccc(C(=O)NNC(=O)CNC(=O)c2ccco2)s1 751203909 ADPZYHQGINTYKK-UHFFFAOYSA-N 414.465 -0.376 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H](c1cccc(F)c1)N1CCOCC1 758035637 MKNLUYNOGRMVIS-SMDDNHRTSA-N 402.448 -0.716 50 20 HBGD NC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 763572397 RCBMLJFSSAUZGJ-OAHLLOKOSA-N 414.374 -0.523 50 20 HBGD CC(C)CCOc1ccc(C(=O)NNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)cc1 763768981 ZLUDCEZMUHQGOP-LBPRGKRZSA-N 414.484 -0.334 50 20 HBGD Cc1nn(-c2ccccc2)cc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764234243 WZWQCERICWWCPW-LLVKDONJSA-N 408.440 -0.796 50 20 HBGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(-c2nnc(N(C)C)o2)cc1 764401839 XZGKUSALYHKRRO-NSHDSACASA-N 420.426 -0.060 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C2(Cc3ccccc3)CCC2)n(C)c1=O 766646230 XZFQYBMQWKXUEJ-UHFFFAOYSA-N 424.461 -0.006 50 20 HBGD CNS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)cn1 770457356 JVIMZNKDEVMRGT-UHFFFAOYSA-N 417.403 -0.521 50 20 HBGD O=C(NCc1ccc(Cl)cc1)C(=O)NNS(=O)(=O)c1c[nH]c(C(=O)O)c1 771605091 OPINXHKPCIRHSF-UHFFFAOYSA-N 400.800 -0.008 50 20 HBGD COCCCS(=O)(=O)NCC(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1 812733383 PSQYVZLBKSKTJF-UHFFFAOYSA-N 408.502 -0.664 50 20 HBGD COc1ccccc1OCC(=O)NNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 917370599 WFRBVUKGZQYJLT-UHFFFAOYSA-N 406.420 -0.281 50 20 HBGD O=C(NNC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1)N[C@@H]1CCS(=O)(=O)C1 919884068 DQRAKLZMLNKJSR-CHWSQXEVSA-N 401.489 -0.568 50 20 HBGD C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 1333673729 ZCTVURZQHURYIT-OKVQYTGBSA-N 415.240 -0.223 50 20 HBGD C[Si](C)(C)OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CS(C)(=O)=O)C[C@@H]21 1788764857 OCRMCKXRBUHELB-IHRRRGAJSA-N 406.577 -0.138 50 20 HBGD C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCC(=O)NN(C)C)C2 1792569963 VPWNFGFHBPNSEU-KFHOSZCASA-N 405.499 -0.144 50 20 HBGD COC(=O)[C@@H]1CC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)C1 1792964780 MTOXGEHKKZRLKY-PMXAPFLYSA-N 402.875 -0.235 50 20 HBGD CCc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)no1 1795734656 VNEPHDHFGKCFKK-ZSBFGKGUSA-N 413.239 -0.566 50 20 HBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H]1C1CC1)C2 1797748604 LQIJEXVBWVIXRE-RZXDWDHASA-N 413.478 -0.066 50 20 HBGD O=C(Cc1ccc(O)cn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830738832 VLZVHEQTFQYQTA-CRAIPNDOSA-N 413.858 -0.614 50 20 HBGD C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1)N1CCN(C)CC1 1839105664 ZZSGGXDNPZHIOJ-DAYGRLMNSA-N 420.913 -0.387 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cncnc3)C2)C1 1840151212 XTMOEBLOSUSKSL-MAUKXSAKSA-N 412.874 -0.271 50 20 HBGD O=C(Cc1ccc(-n2cnnn2)cc1)NNC(=O)c1csc(N2CCOCC2)n1 105950774 UZOFDWNAOWJHIC-UHFFFAOYSA-N 414.451 -0.041 50 20 HBGD CN(CC(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1)c1ncccn1 110901825 QTRSLMXIGHSISA-CQSZACIVSA-N 401.379 -0.557 50 20 HBGD CC(C)N(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 729275254 MUMLMWPJLISUCJ-LLVKDONJSA-N 420.513 -0.586 50 20 HBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 740852449 AZHBJGHWFZMGLG-UHFFFAOYSA-N 409.468 -0.056 50 20 HBGD O=C(NNC(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2)[C@H]1CCS(=O)(=O)C1 749477467 YYXLATMKSUGRSW-QWHCGFSZSA-N 423.447 -0.398 50 20 HBGD NS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)CCOc2ccccc2)cc1 756154917 JFUKSGZIWQNLJN-UHFFFAOYSA-N 406.420 -0.111 50 20 HBGD Cc1ccn(C[C@@](C)(O)C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)c(=O)c1 791130929 WSXXXLKABRCJFX-GOSISDBHSA-N 411.459 -0.237 50 20 HBGD C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NNc1ccc(C(N)=O)nn1 792650986 UXQLEOCXWYYSBE-AWEZNQCLSA-N 400.317 -0.350 50 20 HBGD CO[C@@H]1CCC[C@H](CC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1 793674020 JIIWNURZHQKWTN-NWDGAFQWSA-N 406.443 -0.824 50 20 HBGD COC(=O)c1cccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)c1OC(C)C 799258501 BRDZZGRJEGOJSB-CYBMUJFWSA-N 409.395 -0.238 50 20 HBGD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)NCc1ccco1 920858297 JLASNRDJPRGTFA-UHFFFAOYSA-N 411.440 -0.217 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2C[C@@H](O)C2)C1 1778761785 KMKOSSXLTLZFQN-LNNXQNCSSA-N 416.283 -0.735 50 20 HBGD C[Si](C)(C)OCC(=O)N1CC[C@@]2(CN(C(=O)CC[C@H](N)C(N)=O)CCO2)C1 1779296589 XHEDCEITDSQTEQ-GUYCJALGSA-N 400.552 -0.739 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3ncccc3F)C2)C1 1779811788 ZLHMOKJUUKAKKV-FQEVSTJZSA-N 413.214 -0.342 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)N(C)C)[C@H]2C1 1783677002 OSRBUGUKQDWIOX-XUXIUFHCSA-N 404.895 -0.509 50 20 HBGD CC(=O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1784337425 AJQAUGSUZIGCPD-JYJNAYRXSA-N 410.515 -0.046 50 20 HBGD CCC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)COC1 1786984951 CEIRXARJGXQDPT-SZMVWBNQSA-N 416.283 -0.614 50 20 HBGD CCCNC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796187925 MCNQKXHPVBPASF-BCDXTJNWSA-N 415.299 -0.075 50 20 HBGD C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(B(O)O)c4)C3)C2)C1 1829666658 INADPYZSCKHZNF-OAQYLSRUSA-N 414.267 -0.597 50 20 HBGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC=O)C2)C1 1830542719 CHMLRHHXVCYEBD-WWGRRREGSA-N 420.304 -0.392 50 20 HBGD O=C(NC1CCN(C2CCN(C(=O)C(F)F)CC2)CC1)c1ccc(B(O)O)cc1 1834797834 CAOJOMRWTRBDPJ-UHFFFAOYSA-N 409.242 -0.183 50 20 HBGD NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1839863061 QICKTTNFZDYUEN-OAHLLOKOSA-N 406.277 -0.507 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@]3(C)CCCN3)C2)C1 1840153922 FSWZXQSWZMMWGA-OLMNPRSZSA-N 403.907 -0.161 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CCCS(C)(=O)=O)cc2)CC1 731225485 AMQNKZQGMZESJU-UHFFFAOYSA-N 418.541 -0.109 50 20 HBGD Cc1nc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)C(C)(C)C)CC2)cs1 744395378 WJFQKMZBJTZDKY-UHFFFAOYSA-N 403.530 -0.049 50 20 HBGD CN(C)CCN1C[C@H](C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)CC1=O 746201150 UDTNCCMWNPMKEN-CYBMUJFWSA-N 409.512 -0.020 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C[C@H]1CSCCN1C(=O)OC(C)(C)C 758043615 IQWCDQZYHNHEBO-MNOVXSKESA-N 424.545 -0.186 50 20 HBGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C(=O)Nc1cccc(-n2cnnn2)c1 763572246 MENAJDJTQZZETB-HNNXBMFYSA-N 409.362 -0.412 50 20 HBGD CCOC(=O)C1(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)CC1 766635698 DCHHTCBCGJUMKZ-UHFFFAOYSA-N 402.451 -0.065 50 20 HBGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)C1CCN(S(N)(=O)=O)CC1 767278891 MCKHCBAOAVELNU-UHFFFAOYSA-N 412.468 -0.856 50 20 HBGD COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)NNC(=O)c2cnn[nH]2)C1=O 771467636 SRXVACPDUMMCBN-KRWDZBQOSA-N 401.383 -0.650 50 20 HBGD COC(=O)[C@@H]1C[C@H](C(=O)OC)CCN1CC(=O)NNC(=O)c1cccc(C#N)c1 780351822 SVIXRIHHBOUBNW-CABCVRRESA-N 402.407 -0.254 50 20 HBGD CCN1CCN(c2ccc(NC(=O)C(=O)NN[C@]3(C)CCS(=O)(=O)C3)cc2)CC1 783426436 HHNHHXNRMKRWKF-LJQANCHMSA-N 423.539 -0.035 50 20 HBGD COc1ccc(N2C[C@@H](C(=O)NNC(=O)CN3CCCC3=O)CC2=O)c(OC)c1 789856282 DQVNCDVUILUDTO-LBPRGKRZSA-N 404.423 -0.174 50 20 HBGD CCn1cnc2c1c(=O)n(CC(=O)NNC(=O)COC)c(=O)n2Cc1ccccc1 920503375 ODRSMMXJCAENCK-UHFFFAOYSA-N 414.422 -0.778 50 20 HBGD COCCn1cc(S(=O)(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)cn1 1116342863 SRVBYBRWKZXCNT-UHFFFAOYSA-N 402.454 -0.444 50 20 HBGD Cc1nc(S(=O)(=O)N2CCC(C(=O)NNC(=O)Cc3cccnc3)CC2)cn1C 1322470282 YJXBOBXMRVWONM-UHFFFAOYSA-N 420.495 -0.086 50 20 HBGD CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N3CC[C@@H](B(O)O)C3)cc2)CC1 1329214244 CRMUQXPGOAFNCA-OAHLLOKOSA-N 409.273 -0.772 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1783875384 MHZQEUHPWHRQRG-MAUKXSAKSA-N 410.663 -0.936 50 20 HBGD CCC[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 1784622776 ULZFPKHKMLJPMU-FQUUOJAGSA-N 417.890 -0.083 50 20 HBGD CN[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21)C(=O)O 1786897546 LYFZGAXITYISDS-CCJOIDDDSA-N 424.267 -0.281 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)n3)[C@H]2C1 1787442204 IJZKBDFXXNLXBI-ZPFDUUQYSA-N 414.846 -0.265 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1ON=C(c3ccccc3)O1)C2)[C@H](O)CCl 1792981509 LNEDDYTXRRVOCF-ZEKKIGMLSA-N 423.853 -0.090 50 20 HBGD C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795732784 JJNVFCUKVSAYCE-JLVBRIDZSA-N 404.297 -0.511 50 20 HBGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)n1 1796358576 YWQGDHJJLMRMKO-UOKLYIGXSA-N 415.244 -0.126 50 20 HBGD COC[C@@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)CCl)C2 1797966984 UCGPWCSBBWMLCZ-LXTVHRRPSA-N 403.907 -0.008 50 20 HBGD Cc1nc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnccc2C(=O)NN)no1 1798440836 YDROKGRLAZQFMJ-CLLJXQQHSA-N 413.438 -0.129 50 20 HBGD O=C([C@H](O)CCl)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1830733715 RLWNWMDPZLUKEK-GBIKHYSHSA-N 417.659 -0.267 50 20 HBGD CCCNC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1831193631 XZMRGVHXBLEHJA-KBXCAEBGSA-N 419.906 -0.651 50 20 HBGD C[C@H](CC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1833517272 GSHZEYOECVBEDT-DOMZBBRYSA-N 402.923 -0.331 50 20 HBGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)n[nH]1)CCO2 1835852618 IMLZNYHRBYOIPJ-OAHLLOKOSA-N 417.260 -0.030 50 20 HBGD Cn1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1Cl 1838305905 SWMNGJVGHQWDIT-MLGOLLRUSA-N 421.281 -0.257 50 20 HBGD CN1CC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)C1 1839203801 WPUNJHGIGZOZDB-SWLSCSKDSA-N 408.268 -0.305 50 20 HBGD CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1839880194 JFWWYMQKAIJYDU-HCKVZZMMSA-N 424.267 -0.342 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccc(C)n3)C2)C1 1840150199 HJSHUIYQPSBLGC-CRAIPNDOSA-N 414.890 -0.098 50 20 HBGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(N)=O)CCO2)C1 1840918438 XAASSBLLAJEXSD-IAQYHMDHSA-N 421.292 -0.858 50 20 HBGD O=C([C@@H](F)Br)N1CC2(CCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)C1 1843235365 RPMJZLSTOYHURW-SECBINFHSA-N 414.195 -0.680 50 20 HBGD Cc1nc2ccccn2c1C(=O)NNC(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1 737778871 RTZRAAUTARZWQC-UHFFFAOYSA-N 421.417 -0.028 50 20 HBGD COCCO[C@H](C)C(=O)NNC(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 748625781 VASMCZDDRZPYTC-OAHLLOKOSA-N 422.486 -0.498 50 20 HBGD CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCC(=O)NNC(=O)N1CCOCC1 760802740 AXQWOVVUPZAJKV-ZDUSSCGKSA-N 413.475 -0.035 50 20 HBGD CCOC(=O)[C@H]1CCC(=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)[C@H](C)C1 761268208 XUJXBLDCGLUHBD-NEPJUHHUSA-N 418.454 -0.095 50 20 HBGD CN(C)C(=O)CN1CCC(NC(=O)NNC(=O)CNC(=O)OC(C)(C)C)CC1 778672154 JGKMRTYPQZFSBP-UHFFFAOYSA-N 400.480 -0.606 50 20 HBGD Cc1c[nH]cc(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)c1=O 781428814 XRLGHDHOHTZZOE-UHFFFAOYSA-N 406.468 -0.229 50 20 HBGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)ccc1F 784002534 RTHAFMNEZSFWPP-UHFFFAOYSA-N 406.326 -0.279 50 20 HBGD COC(=O)N(C)NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc(C)c(C)c1 804125678 MYMLEFHKFMINES-ZDUSSCGKSA-N 400.457 -0.055 50 20 HBGD COc1ccc(S(=O)(=O)N2CC[C@H](B(O)O)C2)c(NS(=O)(=O)C(F)F)c1 864230630 BHRXPJHZRVUSNS-QMMMGPOBSA-N 414.217 -0.103 50 20 HBGD CCOc1ccccc1N1C[C@H](C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1=O 919883983 FOAWCXFXIQDYEY-CHWSQXEVSA-N 424.479 -0.044 50 20 HBGD CCN(CC)C(=O)N1CCC(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 1317963002 GQEMAGRNOSDRJH-CYBMUJFWSA-N 403.505 -0.322 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1cscn1)CCO2 1783934008 RWHJEZHMCLCQAW-SFHVURJKSA-N 409.512 -0.112 50 20 HBGD Cc1ncc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)cn1 1785833197 JANUVGKNKBRRRG-SNRMKQJTSA-N 424.266 -0.628 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cnccn1 1785927114 PWPFRDWROYTKTJ-ZVZYQTTQSA-N 410.239 -0.937 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCOCC3)C[C@@H]21)c1cccc(B(O)O)c1 1786984404 KQTQQGFIDDFXDY-WDSOQIARSA-N 416.283 -0.614 50 20 HBGD Cc1ncccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1794674705 AQYXTRHOQAYFMS-HGKCTWBKSA-N 409.251 -0.413 50 20 HBGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H](O)CN1)C2 1800642576 QBANBPPCNAXJSS-IIEFLBBWSA-N 404.305 -0.528 50 20 HBGD CN1CC(C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)C1 1807368209 QLHPEUQPQWLVEN-PXNSSMCTSA-N 422.294 -0.357 50 20 HBGD O=C([C@H](O)N1CCOCC1)N1CCC([C@H]2CCCCN2C(=O)[C@H](O)CCl)CC1 1824185808 HMIOGHYDZFYFRJ-MDZRGWNJSA-N 417.934 -0.144 50 20 HBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CNC(N)=O)CC2 1826092001 ILQANHBBJMSRGF-SECBINFHSA-N 411.488 -0.904 50 20 HBGD O=C(Cn1cncn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839199755 SZPGQSRJROQTIX-TZMCWYRMSA-N 420.239 -0.575 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc[n+]([O-])c3)C2)C1 1840151042 VHMRSAYXBZCLLX-YJBOKZPZSA-N 413.858 -0.356 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCn3ccnn3)C2)C1 1840155837 DHIPVFCGYSUOJU-WMLDXEAASA-N 415.878 -0.622 50 20 HBGD CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847507344 IDHHPNDDMJFMGW-CYDGBPFRSA-N 405.879 -0.327 50 20 HBGD Cc1cccc(OCC(=O)NNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)c1 17199039 QQFBEQUFKJRJGA-UHFFFAOYSA-N 414.422 -0.641 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1sccc1S(=O)(=O)N1CCCC1 729275965 UHOPNQRMJMBLRO-SECBINFHSA-N 424.526 -0.769 50 20 HBGD Cn1nc(C(=O)NNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c2ccccc2c1=O 729617774 GXURVBLVWKJXHB-QWHCGFSZSA-N 400.439 -0.259 50 20 HBGD COCCCNC(=O)NNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 731616844 CZVNHZBPLYAPLF-MELADBBJSA-N 418.516 -0.537 50 20 HBGD C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNC(=O)[C@H](C)Oc1ccccc1F 755049911 RZYZHSICCQKOOJ-QWRGUYRKSA-N 413.431 -0.159 50 20 HBGD COc1ccc(CN2C[C@@H](C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)CC2=O)cc1 758054780 OAAVEQKMNVBSNI-YPMHNXCESA-N 412.468 -0.871 50 20 HBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 764213538 ZEQUKXQINDDGCD-INIZCTEOSA-N 413.482 -0.022 50 20 HBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 771884367 ZLFLZDBZGILKFK-GFCCVEGCSA-N 413.452 -0.190 50 20 HBGD CC[C@H]1CCc2nc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)sc2C1 789735491 QFNKKUFDUNZABF-IUCAKERBSA-N 417.513 -0.318 50 20 HBGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@](C)(O)Cn2c(C)cccc2=O)n1 795779237 JRBZBSJSKUVMLH-GOSISDBHSA-N 422.463 -0.394 50 20 HBGD O=C(CNC(=O)c1cccs1)NNC(=O)CNS(=O)(=O)c1ccccc1F 810308760 JDYXCXBUNTXOFD-UHFFFAOYSA-N 414.440 -0.257 50 20 HBGD O=C(COC(=O)CCCN1C(=O)CCC1=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 915561115 WUMGUQYQUZXKGR-UHFFFAOYSA-N 406.351 -0.172 50 20 HBGD Cc1n[nH]c(C)c1S(=O)(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 916110427 NYWSPTVDXHNLEO-UHFFFAOYSA-N 401.470 -0.100 50 20 HBGD Cc1nc2ccccn2c1C(=O)NNC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 918776462 QZSGLOCWTOGSKX-UHFFFAOYSA-N 413.438 -0.580 50 20 HBGD C[C@@H](NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)c1nncn1C 1317871254 JPOBOUGHKNAWKR-GFCCVEGCSA-N 423.503 -0.467 50 20 HBGD CC(=O)N1CCN(CC(=O)N2CC[C@@]3(C2)CN(C(=O)C(Cl)Cl)CCO3)CC1 1778357757 CFOAHGSULVYEHS-QGZVFWFLSA-N 421.325 -0.216 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccncc3)C2)C1 1780990217 NMLUJZOSQQCZFQ-OAQYLSRUSA-N 424.461 -0.234 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783938097 SVKXPBKKEXESNG-SUMWQHHRSA-N 404.895 -0.557 50 20 HBGD COCCn1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)n1 1792978273 NTLPIXGACMRXJI-AYRXBEOTSA-N 400.863 -0.668 50 20 HBGD CSCC[C@@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796192040 DGIVEMCWSVFETK-YYIAUSFCSA-N 406.313 -0.268 50 20 HBGD Cc1cc(C(=O)NCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](F)Cl)no1 1796366632 WMRBWZMLMFGOQD-RDBQEKCUSA-N 402.810 -0.163 50 20 HBGD CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1799395844 KRGOHOSGRRMMLQ-AFIMGQEJSA-N 411.503 -0.250 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)CNC(=N)N)CC1 1826832760 UVTITVHVIFZZAV-OAHLLOKOSA-N 409.535 -0.538 50 20 HBGD O=C(CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835929610 YLZICPBXFHEART-FQEVSTJZSA-N 402.256 -0.764 50 20 HBGD CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCCC12CN(C(=O)[C@@H](O)CCl)C2 1841297642 BINZIVZVIRVTFQ-NWDGAFQWSA-N 405.879 -0.325 50 20 HBGD COC(=O)CSCCC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 726883773 IPVYNIDMQWJUFB-UHFFFAOYSA-N 403.482 -0.006 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccccc1OC(F)(F)F 728509302 BWBLBGATVJPAMG-SSDOTTSWSA-N 405.376 -0.168 50 20 HBGD CCc1sc(C(=O)NNC(=O)COC(=O)c2cn(C)c(=O)n(C)c2=O)cc1C 736829573 UOYYYPWCZMDNDW-UHFFFAOYSA-N 408.436 -0.366 50 20 HBGD CC(C)NC(=O)C(=O)N1CCN(C(=O)NNC(=O)COCc2ccccc2)CC1 738496777 XRJADMHCJBHUEY-UHFFFAOYSA-N 405.455 -0.387 50 20 HBGD CN1CC[C@@H](NC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1=O 739063352 CWDZNXCEPLBBAD-CQSZACIVSA-N 409.468 -0.354 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1C 743820889 HAMVSXNMMYEGOX-VDERGJSUSA-N 414.418 -0.448 50 20 HBGD CS(=O)(=O)N1CCCC[C@H]1C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1 744773162 MPMZEWRZZOBTHV-AWEZNQCLSA-N 408.436 -0.323 50 20 HBGD CCN1CCO[C@@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C1 746093286 NSCFSHVXIDMDEP-MRXNPFEDSA-N 410.496 -0.047 50 20 HBGD Cc1c(F)cc(C(=O)O)cc1S(=O)(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 751272427 VJTMWCMQEMJPPU-VIFPVBQESA-N 409.417 -0.488 50 20 HBGD COc1ccc(C(=O)NNC(=O)CN2CCC(CS(N)(=O)=O)CC2)cc1OC 761030648 ZMHQABHRYGAVJD-UHFFFAOYSA-N 414.484 -0.535 50 20 HBGD CCc1cc(NC(=O)C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)no1 763738065 SUCVMRORFZCLKE-UHFFFAOYSA-N 423.451 -0.048 50 20 HBGD CNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)Cn2nc(C)cc2C)c2ccccc2O1 763885469 MJCVAEDYKXPJNT-OAHLLOKOSA-N 414.422 -0.812 50 20 HBGD NC(=O)NC1(C(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)CC1 767353233 DYEWPRAKCRMMEF-UHFFFAOYSA-N 408.890 -0.194 50 20 HBGD CC(C)[C@H](C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1)N1CCCS1(=O)=O 773177297 BWNVNHFJMWATHY-MRXNPFEDSA-N 422.463 -0.077 50 20 HBGD O=C(CO)NNC(=O)c1ccc(NC(=O)C[C@H]2SC(N3CCCC3)=NC2=O)cc1 777781875 PUHWDBRYWCRKAE-CYBMUJFWSA-N 419.463 -0.138 50 20 HBGD Cc1c(/C=C(/C#N)C(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)cc(C#N)n1C 787344296 JGYXCCUPAHWKQC-CHHVJCJISA-N 422.449 -0.399 50 20 HBGD COc1cc(NC(=O)NNC(=O)CN2C(=O)C(=O)N(C)C2=O)c(OC)cc1Cl 802078336 MDBMSEVTSCOTDC-UHFFFAOYSA-N 413.774 -0.070 50 20 HBGD CN1CCN(C(=O)NNC(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)CC1 807382816 QMSNYDKSVGBUOS-UHFFFAOYSA-N 407.452 -0.405 50 20 HBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)C[C@H]2CCCC(=O)N2)CC1 809683217 VJYWEKOFZBHTGD-CYBMUJFWSA-N 410.500 -0.480 50 20 HBGD COc1ccc(S(=O)(=O)NCC(=O)NNC(=O)Cc2ccncc2)cc1OC 810468097 LENQCAMRPBSYGK-UHFFFAOYSA-N 408.436 -0.233 50 20 HBGD CCc1sc(C(=O)NNC(=O)CN2CCC(NS(=O)(=O)NC)CC2)cc1C 812839798 IXAGYHDDICOFLX-UHFFFAOYSA-N 417.557 -0.102 50 20 HBGD NC(=O)c1ccc(OCC(F)F)c(NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)c1 815779631 OMHXNFVJFMBPJL-LLVKDONJSA-N 400.338 -0.306 50 20 HBGD Cc1nc2c(c(C)nn2C)c(C)c1CC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1317977644 ITFONMXAKULIBY-GFCCVEGCSA-N 408.484 -0.046 50 20 HBGD O=C(Cc1ccncc1)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1780988299 QALOJHDVVJUBNL-OAQYLSRUSA-N 409.251 -0.552 50 20 HBGD CC[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cnnn3)CCO2)C1 1783342305 KNEOCNRAMLZJQY-BXUZGUMPSA-N 401.265 -0.324 50 20 HBGD C[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](N)CCC(N)=O)CCO2)C1 1783532662 MHNIKLBBVFFXSG-JRPNMDOOSA-N 405.293 -0.808 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)CCN3CCOCC3)CCO2)C1 1783875459 HYNIUAIJNYTBHG-QAPCUYQASA-N 403.907 -0.208 50 20 HBGD O=C(CCc1ncc[nH]1)N1CC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1784267126 FNRUWEFARYVTKL-FQEVSTJZSA-N 412.255 -0.834 50 20 HBGD O=C(CN1C(=O)CSC1=S)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1785539151 JSTMKKJBRCDYRS-ZUZCIYMTSA-N 421.928 -0.724 50 20 HBGD CC(C)N(C)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1791787240 RPBGVMLBOSSYRL-WDSOQIARSA-N 417.315 -0.700 50 20 HBGD O=C(CCN1CCOCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2 1795469690 JSENAVQTUQCDTK-NEBZKDRISA-N 422.295 -0.011 50 20 HBGD C[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN)n1ccnn1 1798442771 CRRSIGTVFWUQHN-YIYPIFLZSA-N 412.454 -0.210 50 20 HBGD C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)C(F)(F)F 1800548712 RMHNWIIZZLUZLW-AGGWBTHJSA-N 412.173 -0.312 50 20 HBGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCS(C)(=O)=O)C2 1800762845 GXGICEWFBOVXDT-HNCHTBHHSA-N 411.318 -0.206 50 20 HBGD Cc1ncc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)s1 1801012085 BJDNTUKRORWUGM-HBCWATKFSA-N 423.539 -0.043 50 20 HBGD O=C(COCCO)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827052186 CJFQCDOPLLGHAK-IBGZPJMESA-N 418.299 -0.391 50 20 HBGD O=C(c1cc(=O)cco1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830725629 QQABRHFJMMRKSV-GUYCJALGSA-N 400.815 -0.691 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn(C)n3)C2)C1 1840031648 YENAPPBKOUCFDZ-XHDPSFHLSA-N 416.276 -0.332 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2 1844264172 OZVAQHCEAWUZSX-UHFFFAOYSA-N 412.406 -0.378 50 20 HBGD O=C(COc1ccc(F)cc1)NNC(=O)NCCS(=O)(=O)N1CCSCC1 730672151 AYUONPZYMOVGTP-UHFFFAOYSA-N 420.488 -0.087 50 20 HBGD O=C(NNS(=O)(=O)c1ccc2c(c1)C(=O)NC2=O)c1ccc(-n2cnnn2)cc1 731594474 IGNCMLWBPYTPQJ-UHFFFAOYSA-N 413.375 -0.831 50 20 HBGD COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNC(=O)c3c[nH]nc3C)C2=O)cc1 731852625 GCHCCYBFJQTZRR-GOSISDBHSA-N 400.395 -0.045 50 20 HBGD Cc1ccc(C(=O)NNC(=O)c2cnn(C)c2)cc1S(=O)(=O)N1CCOCC1 735444122 CJUHXYGVKWMBKF-UHFFFAOYSA-N 407.452 -0.176 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cnn(-c2ccccc2F)c1 742029607 OLOVZLUSAIDEMG-SECBINFHSA-N 405.433 -0.741 50 20 HBGD CC(C)n1nc(C(=O)NNC(=O)CN2C(=O)CN(C)C2=O)c2ccccc2c1=O 747475028 IMKMJJSXTDDQOC-UHFFFAOYSA-N 400.395 -0.368 50 20 HBGD O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NNC(=O)[C@H]1COCCO1 754216709 UUFAPTORKAAJDI-GFCCVEGCSA-N 402.385 -0.886 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1-c1ncco1 764226639 JQHDRNDHEHWCLR-JTQLQIEISA-N 409.424 -0.326 50 20 HBGD Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)C(=O)NNC(=O)[C@@H]1COCCO1 764431304 BCOXBNGHAFEHHI-HNNXBMFYSA-N 406.439 -0.118 50 20 HBGD CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)c1ccc2c(c1)OCCO2 786413681 GJLDERDPKRTTCU-UHFFFAOYSA-N 417.378 -0.232 50 20 HBGD O=C(c1cc(I)ccc1-n1cnnn1)N1CC[C@@H](B(O)O)C1 864231116 JDMLMUAERBIZFZ-MRVPVSSYSA-N 412.984 -0.044 50 20 HBGD CC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)CN3CCS(=O)(=O)CC3)CCO2)C1 1781215945 YXUGHKLANYBYRY-YOEHRIQHSA-N 421.947 -0.436 50 20 HBGD CN[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)Br)C[C@@H]21)C(=O)O 1786898177 GBBMNYAXZXXPHW-SJHCENCUSA-N 420.304 -0.188 50 20 HBGD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)ccn1 1798088417 HYZUPMDXBPFKTI-IZZQQSIFSA-N 409.251 -0.413 50 20 HBGD CC[C@@H](NC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)Br 1800757064 HODSVTWAIQOFTG-HGCLJGPKSA-N 405.293 -0.194 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cc(F)c[nH]1 1800813963 FHTAIQMOIRNVQX-FVCICTRLSA-N 401.203 -0.649 50 20 HBGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCCCC1=O)C2 1800980621 FIGVTTYJXGTDQL-UMPJEAMMSA-N 401.891 -0.158 50 20 HBGD CNC(=O)CC(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1803478025 YSFGFWVDTHDLIB-OXQOHEQNSA-N 424.266 -0.783 50 20 HBGD CN(C)C(=O)C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807370575 GZGRGVLDIZOXMV-WMZOPIPTSA-N 424.266 -0.831 50 20 HBGD O=C1CN(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@H](O)CCl)CC2)C(=O)N1 1824966998 DHQHDIKJZAPGHS-ZIAGYGMSSA-N 414.890 -0.242 50 20 HBGD O=C(CN1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830722573 DKJMQMNKOCWHGN-YJBOKZPZSA-N 403.907 -0.472 50 20 HBGD C=CC(=O)N[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833312457 NMDHDJPSVIQRLX-XJKSGUPXSA-N 414.934 -0.152 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)n1ccnn1)CCO2 1839711395 SWJMIGYENCIZLO-ZQIUZPCESA-N 415.878 -0.451 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)NC3)C2)C1 1840149693 XUKVHLGBROFKHQ-QWQRMKEZSA-N 417.890 -0.777 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2cccnc2C(N)=O)C1 1842157727 KQDLRXKIFSSGNN-UHFFFAOYSA-N 402.455 -0.630 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2cccn3c(O)nnc23)C1 1843316409 GDWKNYWTSAFOFE-UHFFFAOYSA-N 421.222 -0.755 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3cn(C)c(=O)nc3O)cc2)CC1 728214896 UPLZBUKWMDZDMZ-UHFFFAOYSA-N 422.467 -0.821 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCCN(C)C3CC3)nc2)CC1 732888749 DMHLAULTBQANBZ-UHFFFAOYSA-N 411.532 -0.262 50 20 HBGD COc1ccccc1CC(=O)NNC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 744363696 XQGDXCMZBVFSJO-VIZYAEIXSA-N 401.419 -0.064 50 20 HBGD CCS(=O)(=O)N1CCC(C(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)CC1 744591101 NUORDIQHVZOSLC-UHFFFAOYSA-N 422.463 -0.076 50 20 HBGD Cn1c(=O)nc(O)c2nc(CCC(=O)NNC(=O)Cn3cnc4ccccc43)[nH]c21 749161480 ZVLQUFIHONQLSI-UHFFFAOYSA-N 410.394 -0.508 50 20 HBGD COC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)NNC(=O)CO)cc2)C1 755557927 KRDFBMMHIVVTCY-NSHDSACASA-N 414.440 -0.595 50 20 HBGD CCS(=O)(=O)Nc1ccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1C 756514496 HSUSQPPZPREKIU-SNVBAGLBSA-N 421.501 -0.153 50 20 HBGD Cc1cc(C)n(CC(=O)NNC(=O)Nc2cccn(CCS(C)(=O)=O)c2=O)n1 757779927 CASJKERSHPXTAF-UHFFFAOYSA-N 410.456 -0.441 50 20 HBGD Cc1cc(O)cc(=O)n1CC(=O)OCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 759906620 YFTXITFEWGUPOD-UHFFFAOYSA-N 404.335 -0.225 50 20 HBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 764299100 CGZRFUUPMWWCEQ-UHFFFAOYSA-N 418.859 -0.143 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2c[nH]cc2-c2ccccc2)n(C)c1=O 766639408 PQEMEPTWSIUASN-UHFFFAOYSA-N 421.417 -0.110 50 20 HBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 771963847 FUKHPOFNEQHNQS-LLVKDONJSA-N 416.456 -0.851 50 20 HBGD COc1cccc(NNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)n1 780769307 FVAOVZITHDANDI-UHFFFAOYSA-N 405.436 -0.032 50 20 HBGD O=C(NNC(=O)C(=O)NC1CC1)C(=O)Nc1ccc(I)cc1 782964325 CLFTUQYWNKSXMB-UHFFFAOYSA-N 416.175 -0.344 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2ccc([S@@](C)=O)cc2)n(C)c1=O 1116291533 QPAZAUXMCZFLAB-MUUNZHRXSA-N 402.436 -0.679 50 20 HBGD Cc1oncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779031242 OWZRDCRRROYDAP-LJQANCHMSA-N 414.422 -0.261 50 20 HBGD CCC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@@H](N)C(N)=O)C[C@@H]21 1784618294 JZTJBPSTMQPJSY-AHDPXTMNSA-N 402.923 -0.034 50 20 HBGD CC[C@@H](NC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](Cl)COC)C[C@@H]21 1787409494 AXCZZNGTOCLSJV-QNSTZXKLSA-N 404.895 -0.333 50 20 HBGD CS(=O)(=O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2 1795360886 XCBAHIXFRKBXLC-JZSSXWJLSA-N 401.254 -0.689 50 20 HBGD O=C1CCc2ccc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@@H](O)CCl)C4)nc2N1 1796104480 CPPYJXZSDKENRU-LMWOUKEDSA-N 422.869 -0.231 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCCS1 1801564609 LANABAGKDBVLOL-NOXHYTERSA-N 419.507 -0.216 50 20 HBGD CN(C)C(=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1814620380 TVNKLAMIIGQZKZ-GFCCVEGCSA-N 416.268 -0.863 50 20 HBGD C[C@@H](CN)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cnccc1C(=O)NN)CC2 1814750603 IFYPMELZZMWEMV-VHSXEESVSA-N 417.495 -0.038 50 20 HBGD COc1ncccc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830725448 ONQRIQKOJUWIPO-KSSFIOAISA-N 413.858 -0.240 50 20 HBGD O=C(c1ccc2nonc2c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830728081 OPCJXFYYUYOKSQ-YJBOKZPZSA-N 424.841 -0.108 50 20 HBGD Cc1ncoc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1834370852 RJTXXLNXXAJUGT-LJQANCHMSA-N 423.470 -0.574 50 20 HBGD CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837715880 PMKUIOOBVIMMMS-KDOFPFPSSA-N 415.563 -0.181 50 20 HBGD COC(=O)c1ccc(Cl)c(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 728510270 VPBIKDOEVYCMIU-ZETCQYMHSA-N 413.861 -0.626 50 20 HBGD COc1cc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)ccc1OC(C)=O 730568897 GEOGFUHCECVZOF-UHFFFAOYSA-N 421.435 -0.345 50 20 HBGD COC(=O)c1sc(S(=O)(=O)NNC(=O)C(=O)NC(C)C)c(C(=O)OC)c1C 731059218 BZUNJYFZGLFRNY-UHFFFAOYSA-N 421.453 -0.536 50 20 HBGD Cn1c(NNC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)nc2ccccc2c1=O 733263614 MQINHPSVVCNMFW-UHFFFAOYSA-N 407.390 -0.364 50 20 HBGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 742478061 MOZCYXSDIDCSPS-OFQRWPDDSA-N 405.382 -0.097 50 20 HBGD NC(=O)CNS(=O)(=O)c1ccc(C(=O)NNC(=O)Cn2ccc3ccccc32)o1 746224991 RVCPAPIBCIIQNY-UHFFFAOYSA-N 419.419 -0.541 50 20 HBGD COc1ccc(C(=O)NNC(=O)CN2CCC[C@H](S(N)(=O)=O)C2)cc1OC 746452418 UPUIGTTYFKSJNV-LBPRGKRZSA-N 400.457 -0.782 50 20 HBGD C[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 748737857 XEAPOTWOLPMBEH-XHDPSFHLSA-N 417.374 -0.072 50 20 HBGD C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNc1ccccc1S(C)(=O)=O 755802374 VZVHPWLXFQXHMW-JTQLQIEISA-N 401.470 -0.366 50 20 HBGD COc1ccc(C(=O)NNC(=O)CN2CCC[C@H]2CS(N)(=O)=O)cc1OC 756594869 QJTSKQOTDOLGAI-LBPRGKRZSA-N 400.457 -0.782 50 20 HBGD CN1CCC(=NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O 761746324 SKULYHPYHMQBOR-UHFFFAOYSA-N 408.480 -0.026 50 20 HBGD CCC(=O)N1CC[C@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 762381837 FDGWIWBXEIXFDA-ZDUSSCGKSA-N 411.484 -0.108 50 20 HBGD C[C@H](CNC(=O)C(=O)NNC(=O)c1ccc(Br)s1)S(N)(=O)=O 763940464 HPEUBLNJTRYCEU-RXMQYKEDSA-N 413.275 -0.935 50 20 HBGD CCOC(=O)/C=C/c1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 764001692 CAPLKEZSAZVSTL-OQHXTRMZSA-N 423.447 -0.217 50 20 HBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc2c(c1)CCN2C(=O)c1cccnc1 764213397 WSAGHQCSYRWBCS-UHFFFAOYSA-N 410.434 -0.068 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(F)c(C(F)(F)F)c1 764230707 KBCYLISHPJTMHM-ZCFIWIBFSA-N 414.337 -0.132 50 20 HBGD Cn1cc(S(=O)(=O)NCC(=O)NNc2nc(O)c3cnn(C(C)(C)C)c3n2)cn1 770966759 XZKBOIPNVQASRQ-UHFFFAOYSA-N 423.459 -0.558 50 20 HBGD CC[C@H](N=c1nn[nH]n1-c1ccccc1)C(=O)NNc1nc(O)c2cnn(C)c2n1 770973278 ZHJHXNGHTSTHQZ-LBPRGKRZSA-N 409.414 -0.200 50 20 HBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O 772160522 QNCNAUPAZLWKOS-GXFFZTMASA-N 418.406 -0.594 50 20 HBGD CCN(C)C(=O)CNC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 776258005 JWAQRAVQDHCJCW-UHFFFAOYSA-N 411.484 -0.107 50 20 HBGD CCOC(=O)c1cc(F)cc(S(=O)(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 778557432 REULLKSCVOKOEN-VIFPVBQESA-N 408.429 -0.253 50 20 HBGD COC(=O)c1cc(F)cc(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1 782252023 OFSSMEJJHFGJCT-JTQLQIEISA-N 409.417 -0.708 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C[C@H](CC#N)c2ccccc2)n(C)c1=O 793676356 QXBLMTVSWIZOKT-AWEZNQCLSA-N 423.433 -0.331 50 20 HBGD CCOC(=O)c1cc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)[nH]c1C 799483224 LVTFWKHBHZZAIF-UHFFFAOYSA-N 415.410 -0.603 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 801110450 BHMPNNDEYMYTOV-INMIOYRUSA-N 414.418 -0.368 50 20 HBGD Cn1c(=O)c2ccc(C(=O)OCC(=O)NNC(=O)c3ccccc3)nc2n(C)c1=O 913373871 CTYQVJFRRBSTFM-UHFFFAOYSA-N 411.374 -0.750 50 20 HBGD CN(C)S(=O)(=O)c1cc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)ccc1F 916374359 WDZMIQQPOIVWHZ-SNVBAGLBSA-N 407.445 -0.728 50 20 HBGD Cc1ccccc1C(F)(F)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 1323192933 YYIKOFCXRNJIRT-UHFFFAOYSA-N 420.376 -0.318 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)n(C)n3)[C@H]2C1 1785594009 NDFJWCLHTARLOC-FMSGJZPZSA-N 400.863 -0.027 50 20 HBGD CCC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]2C1 1786884597 JUOXNLKFCHPEMW-YTFOTSKYSA-N 402.923 -0.034 50 20 HBGD Cc1ncsc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795732563 VVSRBRPZJHSZMJ-MIFYACCESA-N 415.280 -0.352 50 20 HBGD C[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2)N1C[C@H]2C[C@@H]2C1 1798317864 JNWXWRKBMXINBH-QQVSMIMBSA-N 411.311 -0.042 50 20 HBGD Cc1cncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)c1 1801009417 GXQQTJJARUIBPX-HGKCTWBKSA-N 403.483 -0.034 50 20 HBGD O=C(COCCO)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1820923013 HTASWQWRYUAPQZ-MRXNPFEDSA-N 416.243 -0.596 50 20 HBGD O=C(Cn1cc(Cl)cn1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830723511 OTAKRBQAAYWHJT-CJNGLKHVSA-N 421.281 -0.407 50 20 HBGD CS(=O)(=O)CCC(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833312928 MJKUCDFCBUTFOX-HNNXBMFYSA-N 423.963 -0.408 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccco1)CCO2 1833920322 IRLPYLVOILAZAN-HXUWFJFHSA-N 414.223 -0.657 50 20 HBGD COC[C@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)CNC(N)=O)CC2)CC1 1838785220 AAUUXWTXCYTAJT-AWEZNQCLSA-N 404.895 -0.093 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1839146471 ZNMQMUHIDJGXNB-LESCRADOSA-N 419.906 -0.889 50 20 HBGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)N(C)C)C2)C1 1840032294 UKOAYAZDPOXRKQ-IAQYHMDHSA-N 406.277 -0.686 50 20 HBGD O=C(c1c[nH]c(=O)cn1)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840188754 ADPPPERWGSUQSE-OAHLLOKOSA-N 405.238 -0.356 50 20 HBGD C[C@@H](CBr)C(=O)N1CC2(CCCN2C(=O)CN2CC(=O)NC2=O)C1 1841890374 CCIKUMQDPPRPCO-JTQLQIEISA-N 401.261 -0.227 50 20 HBGD O=C(CN1CCSCC1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843009877 RNSDZJVZIOVXEK-UHFFFAOYSA-N 403.313 -0.768 50 20 HBGD C[C@@H]1NC(C(=O)NNC(=O)CNC(=O)c2cccs2)=NN(c2ccccc2)C1=O 725741565 QFEVRAFXAZYAPH-NSHDSACASA-N 414.447 -0.036 50 20 HBGD COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)c2cnn[nH]2)c1 729456004 LSNMXUOESLOPFV-UHFFFAOYSA-N 402.820 -0.542 50 20 HBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)C2(C(=O)NC3CC3)CC2)CC1 735117949 JXZXGURRVFVPIA-UHFFFAOYSA-N 422.511 -0.480 50 20 HBGD C[C@@H](NC(=O)c1n[nH]c2ccccc12)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 746593743 HDAPMLBBTDEXAS-ZJUUUORDSA-N 408.440 -0.801 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc(F)c(F)cc2F)n(C)c1=O 746857769 SNQYIVNEAVGJPE-UHFFFAOYSA-N 410.312 -0.688 50 20 HBGD Cc1c(C(=O)NNC(=O)Cn2cnc3ccccc32)cnc2c1c(=O)n(C)c(=O)n2C 747719599 VHQGHWBBTDADHW-UHFFFAOYSA-N 421.417 -0.248 50 20 HBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)Nc1cccc(N2CCCS2(=O)=O)c1 755889992 OTKLFSBEYDNMMV-NSHDSACASA-N 416.481 -0.186 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cn(CC3(C)COC3)nn2)c1 759374135 HIVSKWLUXKLAKT-UHFFFAOYSA-N 422.467 -0.360 50 20 HBGD CNS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)Cn2nc(C)cc2C)c1C 763880513 GRLPJZYEOLTSLB-UHFFFAOYSA-N 422.467 -0.497 50 20 HBGD CC(C)OCc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1 764226068 FDVQOIYWEDUPLG-NSHDSACASA-N 400.457 -0.365 50 20 HBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(NS(=O)(=O)CC)c(OC)c1 764325016 AIUVUWDYYPUNBH-UHFFFAOYSA-N 402.429 -0.421 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@H]3CCOC3)CC2)cc1 765726581 DRURHXGGWLKUJJ-HNNXBMFYSA-N 410.496 -0.515 50 20 HBGD COC(=O)c1cc(F)c(C)c(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 769871996 MSPZNQJYJLMFKJ-QMMMGPOBSA-N 411.433 -0.832 50 20 HBGD CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 770494060 HKKADXADQIKDNO-GFCCVEGCSA-N 405.498 -0.185 50 20 HBGD CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)NNc2c(F)cccc2F)cn1 773707991 ODTKOMHWAPALNS-UHFFFAOYSA-N 409.397 -0.079 50 20 HBGD COCCO[C@@H]1C[C@@H](CO)CN(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)C1 773962404 IJEVUUQJGWULBU-CZUORRHYSA-N 410.427 -0.298 50 20 HBGD CS(=O)(=O)C1(C(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)CC1 792209274 NMSGTRHVRQEUIW-UHFFFAOYSA-N 403.482 -0.272 50 20 HBGD CC1CCC(OCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 793675310 MVYWSOOAEQCPQC-UHFFFAOYSA-N 406.443 -0.824 50 20 HBGD C=CCN1C(=O)C(=O)N(CC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1=O 794076717 ODGNWVUHWUVLOZ-UHFFFAOYSA-N 417.378 -0.963 50 20 HBGD COc1cc(C(=O)NNC(=O)CCN2CCCS2(=O)=O)cc(OC)c1OC 918198017 QWDDKSSSBHOXNS-UHFFFAOYSA-N 401.441 -0.101 50 20 HBGD CS(=O)(=O)CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 919684600 BCRLCHZWGBFZHU-UHFFFAOYSA-N 403.482 -0.333 50 20 HBGD N#Cc1cccc(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1 1780600169 NYQFAHKYCUIUDX-QFIPXVFZSA-N 419.246 -0.005 50 20 HBGD CC[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1783349239 KJZJXLAAEVJWRS-ZUZCIYMTSA-N 401.261 -0.134 50 20 HBGD COCCn1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)n1 1784091303 ZQBAQLORXDFUBC-SDADXPQNSA-N 414.890 -0.278 50 20 HBGD CN(C)C(=O)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]2C1 1789921197 YLSDEEZSZOPGMU-ZPFDUUQYSA-N 423.283 -0.072 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2)c1cccc(B(O)O)c1 1795737378 BOZLOIJZAQWQBE-HATOLVCRSA-N 418.258 -0.379 50 20 HBGD O=C1CCc2ccc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@H](O)CCl)C4)nc2N1 1796104478 CPPYJXZSDKENRU-FAXLKDOZSA-N 422.869 -0.231 50 20 HBGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)C2=NNC(=O)C2)[nH]n1 1822416127 QFASZSIZJJVZJJ-CYBMUJFWSA-N 418.458 -0.349 50 20 HBGD CC(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)CBr)CCO2 1830544218 QTDFZESQKMXMRK-LRDDRELGSA-N 420.304 -0.390 50 20 HBGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CC(=O)NC3=O)CCO2)C1 1832480506 OHTXZXOUHANOHD-SJCJKPOMSA-N 416.862 -0.988 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncn(C)n3)CCO2)C1 1833885176 FGLQUHZDUNRGKA-WBMJQRKESA-N 401.851 -0.861 50 20 HBGD CCOC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1837206748 PVNBPGZHTFHIHI-FIXISWKDSA-N 411.814 -0.958 50 20 HBGD COC(OC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Br)CCO2 1840030315 IHHKHPDVPPWNJS-NHYWBVRUSA-N 409.277 -0.155 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@]3(C)CCCN3)C2)C1 1840153924 FSWZXQSWZMMWGA-ZTFGCOKTSA-N 403.907 -0.161 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2cnn3ncccc23)C1 1843308305 IOWSTZSNNLDTSX-UHFFFAOYSA-N 405.223 -0.460 50 20 HBGD CC(C)(C)OC(=O)NCC(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1846088508 UPNZSQAYPRLQJS-UHFFFAOYSA-N 417.271 -0.292 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCNC(=O)c1ccc[nH]1 1848178295 FUWSRQSVLNZAKG-HOTGVXAUSA-N 418.498 -0.291 50 20 HBGD Cc1cccc(C(=O)NNC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)c1 745482180 NEGPDNSXMCMRIE-BQGCOEIASA-N 415.402 -0.538 50 20 HBGD COc1ccc(C)cc1NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 755388628 BBWWBBFZGGQYNG-UHFFFAOYSA-N 415.410 -0.396 50 20 HBGD Cc1cc(C)n2c(C=NNC(=O)CSc3nn(C)c(=O)n(C)c3=O)cnc2n1 755619307 IXUSEVLKOWOGIF-UHFFFAOYSA-N 402.440 -0.619 50 20 HBGD Cn1c(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cccc1=O 756845301 JOOJJYMKBHCDEI-UHFFFAOYSA-N 420.447 -0.519 50 20 HBGD CN(CC(=O)NNC(=O)CNC(=O)c1cccnc1)S(=O)(=O)c1ccccc1 763819823 HAFGRRPQMPOBLI-UHFFFAOYSA-N 405.436 -0.721 50 20 HBGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccccc1I 764426685 VXODODOFLLOQEM-JTQLQIEISA-N 419.175 -0.208 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc(O)nc3ccccc23)n(C)c1=O 766635475 IFXBPSVIALBIOH-UHFFFAOYSA-N 423.389 -0.851 50 20 HBGD Cc1[nH]ccc(=NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1Cl 771766209 SIXIBLCBKHMZLO-UHFFFAOYSA-N 420.817 -0.935 50 20 HBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 785657457 GNHAIPQWBKAPKD-GJZGRUSLSA-N 412.487 -0.708 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1Cc2cc(Br)ccc2O1 792643427 WDGUOXSBOPFEBG-WRWORJQWSA-N 406.258 -0.162 50 20 HBGD NS(=O)(=O)c1ccc(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)cn1 794066158 SNWVSEJHFUOKSP-UHFFFAOYSA-N 407.408 -0.584 50 20 HBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1sccc1S(=O)(=O)N1CCCC1 822664514 SMZWXXVASJBABA-SNVBAGLBSA-N 421.522 -0.272 50 20 HBGD CNC(=O)c1cc(S(=O)(=O)NNC(=O)C(=O)Nc2ccc(C)c(C)c2)cn1C 914688972 SDNMQTAWSKRTBO-UHFFFAOYSA-N 407.452 -0.050 50 20 HBGD C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919887137 ZPXMTPSFZFVBBC-VHSXEESVSA-N 422.460 -0.990 50 20 HBGD O=C(c1nc(O)n2c1CCCC2)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1779344114 NCSOSKOJRLSDFC-SCLBCKFNSA-N 412.874 -0.032 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)[C@@H]1C[C@@]1(F)Cl 1791366342 AVNZUIRNGKYOQS-RWBKLUSOSA-N 424.665 -0.116 50 20 HBGD COC[C@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)Br 1800759642 YZHOEBNPPCCYBV-QKGWFMCXSA-N 420.304 -0.490 50 20 HBGD Cc1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)cn1 1801009425 HLQXFDIYJLNGIH-ZSBFGKGUSA-N 404.471 -0.639 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(F)(F)Cl 1801150264 GKOBUTIOZDKTAU-PTEHBNRSSA-N 402.590 -0.599 50 20 HBGD O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731722 ORJBOSMHGWAPJH-PZMVWAHESA-N 413.858 -0.245 50 20 HBGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCO2 1839076510 JFXJTVQCRKBKPL-YRBFXIGRSA-N 403.907 -0.427 50 20 HBGD CCOC(=O)/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](Cl)COC)CCO2 1840150621 ONKVMMXZZBQADW-BYQXYHSISA-N 418.874 -0.184 50 20 HBGD C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1840161295 KMDKQZQKJHEVPU-KZULUSFZSA-N 423.495 -0.927 50 20 HBGD CN(C)N(C(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O)[C@@H]1CCS(=O)(=O)C1 728179666 SDBKBWCZOCYYQA-KDOFPFPSSA-N 408.480 -0.054 50 20 HBGD O=C(COC(=O)CCCNC(=O)C1CC1)NNC(=O)[C@@H]1COc2ccccc2O1 728324592 ATSJSXTZNZTYTH-HNNXBMFYSA-N 405.407 -0.177 50 20 HBGD CC[C@@H](C)NC(=O)CN1CCN(C(=O)NNC(=O)CNC(=O)c2ccco2)CC1 728952138 USNMKYSTXCVYNV-CYBMUJFWSA-N 408.459 -0.718 50 20 HBGD Cn1c(=O)nc(O)c2cc(S(=O)(=O)NNC(=O)CCc3ccccc3O)cnc21 729962969 PWKKKHXDAXYOFD-UHFFFAOYSA-N 419.419 -0.318 50 20 HBGD COC(=O)[C@@H](O)C1CCN(CC(=O)NNC(=O)c2ccc(OC)c(OC)c2)CC1 749535308 MJRYJVDNLHLYBN-KRWDZBQOSA-N 409.439 -0.289 50 20 HBGD CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 764084193 UMOSHGZKKNLFAF-AVGNSLFASA-N 408.459 -0.349 50 20 HBGD CCCNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)Cc2cc[nH]n2)c2ccccc2O1 764292595 FKQIXVBTWDPUBQ-OAHLLOKOSA-N 414.422 -0.580 50 20 HBGD CCN(C)C(=O)CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 776258348 SECCIVOFMPBORD-UHFFFAOYSA-N 413.504 -0.878 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNS(=O)(=O)N2CC[C@@H](C)C2)cc1 777913806 SSCMXEKOHHVYLL-CYBMUJFWSA-N 404.514 -0.177 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@@H](O)[C@H](O)c1nc2ccccc2s1 779510682 MBAZVVWZHNLRCL-KBPBESRZSA-N 404.404 -0.139 50 20 HBGD COC(=O)CNC(=O)NNS(=O)(=O)c1ccc(Br)c(C(=O)O)c1 779844033 FRWAOKNQXQHASE-UHFFFAOYSA-N 410.202 -0.187 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(C2(C)CCCC2)on1 789734515 CICUEPZIRSJIJC-VIFPVBQESA-N 401.445 -0.470 50 20 HBGD CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)NNC(=O)CNC(=O)c1cccs1 799911505 FRWDLHKHVTVKRE-GHMZBOCLSA-N 417.513 -0.474 50 20 HBGD CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)NNC(=O)[C@H]3CCCO3)cc2)CC1 815778436 QTFSOPQFHMMCBU-MRXNPFEDSA-N 417.466 -0.271 50 20 HBGD COC(=O)C(=O)NN=C1C(=O)N(CC(=O)N(C)C)c2ccc(Br)cc21 1319048074 ZVDJZDHJJSFFJX-UHFFFAOYSA-N 411.212 -0.123 50 20 HBGD C[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)N(C)C)CCO2)C1 1783529980 ZZBAHFAUOSVAMQ-IAQYHMDHSA-N 405.293 -0.129 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1nc[nH]c1[N+](=O)[O-])CCO2 1783934695 KMWPRNRNYHPMMH-KRWDZBQOSA-N 423.430 -0.866 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CCO2 1783936126 DLOCZGWOARTOQQ-IHSNIMORSA-N 408.499 -0.243 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc[nH]3)[C@H]2C1 1788805668 LZFJNJQTQYUSPX-NUTKFTJISA-N 412.450 -0.080 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@H]2CO[C@@H](CNC(=O)C(F)(F)Cl)[C@H]2C1 1791425734 FEDRAEYKPYABPK-UBHSHLNASA-N 416.617 -0.209 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccncc1F)C2)c1cccc(B(O)O)c1 1795739119 WPEPPSKACPLAPE-ZSBFGKGUSA-N 413.214 -0.583 50 20 HBGD C[C@@H](Nc1cnccn1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1798460334 HLNDZUZPLBIEPC-NKGKWGDASA-N 423.282 -0.091 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[C@H]1C[C@]1(F)Cl 1801091606 UQLSEKHFNUKYGR-WNLTYMPLSA-N 410.638 -0.506 50 20 HBGD NC(=O)[C@H](N)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](O)CCl)CC2 1815053884 SSCOGYVOIVATRF-MRTMQBJTSA-N 403.892 -0.752 50 20 HBGD O=C(COCCO)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815343881 UWEMAJSFDGFZEJ-ZDUSSCGKSA-N 419.268 -0.942 50 20 HBGD C[C@H](O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cnccc1C(=O)NN)CC2 1825621972 WGBRCDCLNBAUJY-DTWKUNHWSA-N 404.452 -0.252 50 20 HBGD CCc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)n(C)n1 1830733068 ZZPZESFXHBTHHS-YJBOKZPZSA-N 414.890 -0.348 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839143626 BYZYEERGILKCNQ-APWZRJJASA-N 424.690 -0.546 50 20 HBGD O=C1C[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)CN1 1839873483 XTOJYONFKYGSED-JVLSTEMRSA-N 422.251 -0.731 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(C)=O)CCO2)C1 1839886130 JYVUETMQIPSUQW-YOEHRIQHSA-N 405.879 -0.777 50 20 HBGD COCCOc1ccc(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1C 728509484 GEMCWOMKGMBJGH-NSHDSACASA-N 409.486 -0.733 50 20 HBGD NC(=O)c1ccc(NNC(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCCO3)c2)nn1 757406540 CLSLUHOFMQEPEO-LBPRGKRZSA-N 420.451 -0.210 50 20 HBGD CN1CCN(C(=O)NNC(=O)c2cc(-c3ccco3)nc3c(C(N)=O)ncn23)CC1 807381782 ILMHEIJFLSOYBA-UHFFFAOYSA-N 412.410 -0.310 50 20 HBGD CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNc1ncncc1F)CC2 815763801 BDFKCTOLUZWRDA-UHFFFAOYSA-N 408.415 -0.054 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccn3)C[C@@H]21 1791288580 HEZLEMMQEBMUHO-DZKIICNBSA-N 404.471 -0.557 50 20 HBGD COC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(Cl)Cl)[C@H]2C1 1791298470 ZRKMUOATFYCFTJ-RVMXOQNASA-N 410.298 -0.079 50 20 HBGD O=C(C[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1793767503 WOTDUUUGEJVMAU-YNVMFWSZSA-N 416.283 -0.471 50 20 HBGD CCS(=O)(=O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Br 1799344399 KZRFPDJTHGIEEH-RBLKWDMZSA-N 415.281 -0.299 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCn1ccnn1)C2)[C@@H](F)Br 1799352418 WEEMZAZEBHFSSS-LYIQGSDWSA-N 404.240 -0.052 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cccc([N+](=O)[O-])c1=O)[C@H](O)CCl 1801354571 SBNNGXUJWKKEIO-GFQSEFKGSA-N 412.830 -0.006 50 20 HBGD COC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(=O)n3[nH]nnc3n1)C2 1802277902 ZOGISENCLOZXCC-VLEAKVRGSA-N 409.834 -0.682 50 20 HBGD O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1812879034 OGUVGKXJHVZDGK-OXQOHEQNSA-N 421.218 -0.831 50 20 HBGD O=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)=NN1 1819339802 CXQKOGYPUVVOHV-HNNXBMFYSA-N 424.226 -0.729 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cnccn3)CCO2)C1 1830970147 VHWRNSVWKWCZCF-MAUKXSAKSA-N 412.874 -0.271 50 20 HBGD Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)on1 1832563123 CWEFWDHJQZCSJT-YOEHRIQHSA-N 401.847 -0.418 50 20 HBGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@@H](NC)C(=O)O)CCO2)C1 1835762316 JEMCCSOXRYFAIL-OGHNNQOOSA-N 405.879 -0.477 50 20 HBGD O=C(c1ccnc(Cl)n1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837919544 BNCVCIGQUOPEKF-LRDDRELGSA-N 419.265 -0.200 50 20 HBGD CC[S@](=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](Cl)COC)CCO2 1840153151 FYKLLSVWCACXIC-TWQKQJGESA-N 424.947 -0.145 50 20 HBGD COc1cc(OC)cc(C(=O)NNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)c1 18995253 ZRPCCBMFKRNFNO-UHFFFAOYSA-N 415.449 -0.026 50 20 HBGD CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NNC(=O)C(=O)NC(C)C 726613200 CZIGDMXXVUEXQC-CYBMUJFWSA-N 416.525 -0.241 50 20 HBGD O=C(NNC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2)[C@@H]1CCS(=O)(=O)C1 749477465 YYXLATMKSUGRSW-OLZOCXBDSA-N 423.447 -0.398 50 20 HBGD CNS(=O)(=O)C[C@@H]1CCCN1CC(=O)NNC(=O)c1ccc(OC)c(OC)c1 749851329 TUFXPGASRUZJHB-ZDUSSCGKSA-N 414.484 -0.522 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)COCC3CC3)CC2)cc1 766635708 DGFKLFSTLPUBBW-UHFFFAOYSA-N 424.523 -0.125 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3ccnn3C)CC2)cc1 766636484 OVRSVJSCDNHMGQ-UHFFFAOYSA-N 420.495 -0.504 50 20 HBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CCc1c(C)nc2c(C(N)=O)cnn2c1C 772021025 GOZYBTQVVGXIFV-NSHDSACASA-N 404.427 -0.133 50 20 HBGD CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 795528796 YKGPRGSXGCRKEV-VXGBXAGGSA-N 420.488 -0.470 50 20 HBGD Cn1cnnc1SCc1ccc(C(=O)NNC(=O)CCn2ncn(C)c2=O)cc1 814717442 JEOJPARODDPVQK-UHFFFAOYSA-N 416.467 -0.146 50 20 HBGD COC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F 815565802 ASXARBPMKQMCSR-SECBINFHSA-N 407.358 -0.101 50 20 HBGD Cc1ccc(NCC(=O)NNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 825600208 CTYAHRIFJYGNAM-UHFFFAOYSA-N 413.438 -0.608 50 20 HBGD COc1ccccc1OCC(=O)NNC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 920238510 HBVQEWFSSXDPQW-GFCCVEGCSA-N 400.457 -0.172 50 20 HBGD COCCCNC(=S)N(C)NC(=O)C1CCN(c2ccc3nnnn3n2)CC1 1317772056 RPSWOXVARJXLGZ-UHFFFAOYSA-N 407.504 -0.390 50 20 HBGD CC[S@@](=O)CCC(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1778825677 KNYBMLSEUGNOEV-KWMCUTETSA-N 416.544 -0.652 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1779093914 ARCOOPZWITWDDT-DUVNUKRYSA-N 420.304 -0.750 50 20 HBGD COCc1c[nH]c(C(=O)N2CC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1 1780079297 QTIQGCBQFAHCJV-HXUWFJFHSA-N 421.498 -0.022 50 20 HBGD C[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1 1783539538 KVDNQEFZZPCAFL-ZBEGNZNMSA-N 414.256 -0.475 50 20 HBGD Cc1noc(N)c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1786841003 YXWDPQBZBPVBET-IHRRRGAJSA-N 422.486 -0.468 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)n1)c1ccc(B(O)O)cc1 1796798848 QFYNTSZOHOBVHH-BTTYYORXSA-N 412.211 -0.867 50 20 HBGD CC[C@H](C)[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797748663 QQURPFVAUZZFLZ-PMUIAIRXSA-N 419.482 -0.705 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CCNC(=O)C1)C2 1798443475 AENOYZIVZHTVBM-YIYPIFLZSA-N 414.466 -0.537 50 20 HBGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)N1CCOCC1)C2 1800759448 QMAOCNLWSXDJTQ-AIUMHDJVSA-N 420.304 -0.990 50 20 HBGD O=C(CN1C(=O)CSC1=S)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1802104738 DVSWDQSKUHLUJA-BSTOTGJRSA-N 421.928 -0.964 50 20 HBGD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1)[C@@H](O)CCl 1803147633 XSSKIZPMSSDZDD-SUNYJGFJSA-N 420.853 -0.388 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCC2(CCCN(C(=O)c3nc[nH]n3)C2)CC1 1810379313 BNCLBEDGNNBMPH-UHFFFAOYSA-N 412.454 -0.038 50 20 HBGD C[C@H](CN)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1814741378 HOKHYHFRHCLZCM-ZWNOBZJWSA-N 402.285 -0.357 50 20 HBGD O=C(c1cnnc(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830726512 YZBMPDDYLOXPRZ-MLGOLLRUSA-N 419.265 -0.200 50 20 HBGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CNC(=O)O1)CCO2 1831563189 BHINAURHOOCTGF-DCGLDWPTSA-N 403.863 -0.041 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3cc[nH]n3)CC2)CC1 1833563253 PEPHHVLYIUIXJR-UHFFFAOYSA-N 419.530 -0.032 50 20 HBGD Cc1nc(N)sc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1835800536 FHJIATMBVKTKCU-ZBEGNZNMSA-N 418.903 -0.297 50 20 HBGD C[C@@H]1C[C@@]1(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1839093503 SSQWTUHCEKKUGD-YSGRDPCXSA-N 410.515 -0.138 50 20 HBGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)COCCO)CCO2)C1 1839195411 RCGBXBHGUBMOJF-DOMZBBRYSA-N 409.277 -0.765 50 20 HBGD O=C(c1cn2cccnc2n1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014096 XDAZVRGHKDHLIY-UHFFFAOYSA-N 405.223 -0.460 50 20 HBGD CN1CCCC[C@@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnccc1C(=O)NN 1847575574 XQESAFPVIQHLSI-YESZJQIVSA-N 400.483 -0.015 50 20 HBGD COc1ccc(S(=O)(=O)N(C)CCCC(=O)NNC(=O)C(=O)NC2CC2)cc1 11710967 OJRWBVRXBDRYII-UHFFFAOYSA-N 412.468 -0.478 50 20 HBGD CCOc1cc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)ccc1OCC(=O)OC 728461341 YBXMORKYAFPBME-LBPRGKRZSA-N 414.436 -0.167 50 20 HBGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)c2cc(S(N)(=O)=O)ccc2F)c1 744559695 RCBJVCHZJBJFGI-UHFFFAOYSA-N 420.378 -0.037 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(-c2nnc(N(C)C)o2)cc1 757719904 PDMVFIZVLZTLBK-VIFPVBQESA-N 411.444 -0.107 50 20 HBGD Cc1cccc(O[C@H](C)C(=O)NNC(=O)C(=O)Nc2cnn(CC(N)=O)c2)c1C 763854359 PMNKMFITGMNIGY-GFCCVEGCSA-N 402.411 -0.461 50 20 HBGD Cc1cccc([N+](=O)[O-])c1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 772386136 JONKHMNTZMJZEG-UHFFFAOYSA-N 415.366 -0.888 50 20 HBGD CN(C)C(=O)CNC(=O)C(=O)NNC(=O)COc1ccc(Br)cc1 782702412 QWXOTMJKZMMKLO-UHFFFAOYSA-N 401.217 -0.820 50 20 HBGD CC(C)CNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)cc1 783996147 FDSWBEYCYBPWFQ-UHFFFAOYSA-N 403.439 -0.219 50 20 HBGD COc1ccc(OC)c(C2=NO[C@@H](C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)C2)c1 792641005 GVYKXFITDHRBOD-YMTOWFKASA-N 414.440 -0.718 50 20 HBGD COC(=O)CNC(=O)NNS(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1OC 808106032 VZZIHWFWCNKNEE-UHFFFAOYSA-N 408.820 -0.028 50 20 HBGD Cn1nncc1NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 809908744 CZEPRUHIQWZCGB-UHFFFAOYSA-N 409.428 -0.698 50 20 HBGD NS(=O)(=O)c1ccc(C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)o1 917904427 QPPONGUMWFWYGZ-UHFFFAOYSA-N 421.479 -0.100 50 20 HBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2)c1cnc(O)nc1O 1778004453 HGIAAMLVPNGCOC-XWCIJXRUSA-N 414.846 -0.385 50 20 HBGD CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1781400346 KTWRSHIRCSJZNU-QRWLVFNGSA-N 417.271 -0.389 50 20 HBGD COC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788607757 FLKXVAFASBYILU-RCBQFDQVSA-N 419.482 -0.297 50 20 HBGD COc1nn(C)cc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1794923243 NAHIACPLBBUWEW-MUJYYYPQSA-N 412.255 -0.326 50 20 HBGD CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Cl 1796361296 MNGSZZRLOAAMHD-PPCPHDFISA-N 423.869 -0.004 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cc(F)c[nH]1 1800814015 HWIXEFXGCDGNBT-FVCICTRLSA-N 401.203 -0.649 50 20 HBGD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1)n1ccnc1 1830719570 GEVSYMWPIRHNFJ-KEYYUXOJSA-N 400.863 -0.500 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)CCNC(=O)c2ccc[nH]2)C1 1842016773 RRYRJKOUUCQTJY-UHFFFAOYSA-N 418.498 -0.289 50 20 HBGD Cc1nn(C)c(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)c1F 1842299110 IKYLUWYKJUTVNZ-UHFFFAOYSA-N 400.219 -0.322 50 20 HBGD C[C@H](C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1)n1ccccc1=O 1843011530 MLJRCUKQLFEFFD-OAHLLOKOSA-N 409.251 -0.394 50 20 HBGD COc1cc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc(OC)c1O 254480578 YALYDKIEFUBYKA-UHFFFAOYSA-N 416.394 -0.693 50 20 HBGD C#CCNC(=O)CN1CCN(CC(=O)NNC(=O)c2cc(Cl)ccc2OC)CC1 728572440 DNDSTPWYWONTHU-UHFFFAOYSA-N 421.885 -0.523 50 20 HBGD COc1ccc(Br)c(C(=O)NNC(=O)c2cn(C)c(=O)n(C)c2=O)c1 735044257 KUDHMBWTQOORFZ-UHFFFAOYSA-N 411.212 -0.070 50 20 HBGD COc1ccc(OCCS(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 742028155 ARTFRNOYLKQHGV-NSHDSACASA-N 407.470 -0.605 50 20 HBGD O=C(CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)Cn1cnc2ccccc21 742470914 CCDMUJQGCQXFHI-DTDBQYNISA-N 411.418 -0.264 50 20 HBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)Nc1ccccc1CN1C(=O)CCC1=O 756221920 SRNJLBXWXUOYGZ-GFCCVEGCSA-N 408.436 -0.077 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2cnn(-c3ccc(F)cc3)c2)n(C)c1=O 764816532 KBMQYAVIGAMBAY-UHFFFAOYSA-N 424.396 -0.091 50 20 HBGD Cc1nn2c(C=NNC(=O)CSc3nn(C)c(=O)n(C)c3=O)c(C)nc2s1 765565947 SKALWJUKTOSWBS-UHFFFAOYSA-N 408.469 -0.558 50 20 HBGD CCO[C@@H](C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1 766645710 VLGMHZDUNXXEBS-OAHLLOKOSA-N 414.422 -0.641 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CSCC(N)=O)cc2)CC1 767964072 ZWHXITQSFNSHEM-UHFFFAOYSA-N 401.514 -0.716 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@H]2CCc3nncn3C2)cc1 814210377 DMKCLTDINBLSLY-ZDUSSCGKSA-N 406.468 -0.383 50 20 HBGD COc1ccc(-c2cc(C(=O)NNC(=O)CCn3ncn(C)c3=O)n[nH]2)cc1OC 815886982 PAAYETHKTMCYPA-UHFFFAOYSA-N 415.410 -0.160 50 20 HBGD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NNC(=O)[C@H]1CCc2nncn2C1 816881647 LVERTFSESBGGAV-WDEREUQCSA-N 405.419 -0.171 50 20 HBGD CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2cccnc2)cc1 913109485 FYEYCLJYRABTGH-UHFFFAOYSA-N 406.420 -0.002 50 20 HBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c(F)cc1F 1318415472 VVXJFDKTICMAPZ-SSDOTTSWSA-N 412.392 -0.504 50 20 HBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c(F)cc1F 1318415474 VVXJFDKTICMAPZ-ZETCQYMHSA-N 412.392 -0.504 50 20 HBGD Cc1n[nH]c(C)c1C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1779391304 QWNXELYGICMGKV-HXUWFJFHSA-N 412.255 -0.536 50 20 HBGD CC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3cc(=O)n4[nH]nnc4n3)CCO2)C1 1781216861 CACUUIGEGWRTJE-MGPLVRAMSA-N 409.834 -0.727 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(CN(C(=O)CCSC(=N)N)CCO2)C1 1783934034 UEYUDHNJIUFSHK-QGZVFWFLSA-N 414.532 -0.794 50 20 HBGD CSCC[C@@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783938143 VSPUINYDKWLLTI-KDOFPFPSSA-N 416.544 -0.697 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cncs1 1786206886 CLOYGZPEWCVIGK-BPUTZDHNSA-N 415.280 -0.270 50 20 HBGD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]2C1)n1cnnn1 1789927035 OFXFNQMGLVAAJT-HTFCKZLJSA-N 419.255 -0.096 50 20 HBGD CCc1ncccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1794377140 LHAZQAAOLDWQAL-CWPLJXCYSA-N 423.278 -0.159 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCC3)C2)c1ccc(B(O)O)cc1 1795734094 BXGGTLRINHDCIL-CCWDJLKJSA-N 424.266 -0.974 50 20 HBGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)N1CCOCC1)C2 1800759450 QMAOCNLWSXDJTQ-VVSAWPALSA-N 420.304 -0.990 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cscn1)C2 1801013339 PUNHFHMMODGFPK-IVWMJMPLSA-N 409.512 -0.352 50 20 HBGD Cc1cc(C)n(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)n1 1830724612 ADHMDBBTHAVBBA-MAUKXSAKSA-N 414.890 -0.444 50 20 HBGD O=C1NC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)CCBr)C3)C2)O1 1831568328 AUEQUVMEYGPHDE-XHDPSFHLSA-N 420.260 -0.664 50 20 HBGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1831640941 TUBKKKDXEWKEIG-GDZNZVCISA-N 403.863 -0.041 50 20 HBGD CN1C(=O)CC[C@H]1C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833313291 DSWLMDNHQUEDRW-JKSUJKDBSA-N 414.934 -0.222 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)N(C)C(C)=O)C2)C1 1840152934 YZOHXOMICIJBHN-QIIPPGSGSA-N 419.906 -0.437 50 20 HBGD O=C(c1cc(=O)n2[nH]cnc2n1)N1CC2(CCCN2C(=O)[C@H](F)Br)C1 1845217161 ILQBCVKCFZFTLS-JTQLQIEISA-N 413.207 -0.075 50 20 HBGD CCOC(=O)O[C@H](C)C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1845788031 XSTVPIULVRMTHD-CYBMUJFWSA-N 404.228 -0.255 50 20 HBGD CCn1cc(S(=O)(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cn1 727350777 VHORHCUCVWJWIJ-UHFFFAOYSA-N 415.497 -0.158 50 20 HBGD C[C@H](NC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12)[C@H](C)N1CCOCC1 729622867 CLFNZOXMZUYKMX-STQMWFEESA-N 402.455 -0.013 50 20 HBGD C[C@H](C(=O)NNC(=O)COc1ccccc1O)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 746235331 TVLGUWAANNVKFM-CEMKBHKYSA-N 403.391 -0.531 50 20 HBGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(OCC(N)=O)cc2)cc1 763660512 APKOACLPLLIRDQ-UHFFFAOYSA-N 416.390 -0.276 50 20 HBGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc3nc4n(c(=O)c3c2)CCC4)n1 763884316 FJEMGYIRFMQPMQ-UHFFFAOYSA-N 423.433 -0.058 50 20 HBGD C[C@H](NC(=S)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1cccs1 764516895 XCJFWQVKDOFQBB-VIFPVBQESA-N 421.508 -0.248 50 20 HBGD COC(=O)[C@H](CS(=O)(=O)NNC(=O)CNC(=O)c1ccco1)c1ccccc1 795311951 NEWXKRCTLCRHSM-CYBMUJFWSA-N 409.420 -0.083 50 20 HBGD CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1cn(-c2ccccc2)nn1 814877689 VMMRYSUANHGQRF-UHFFFAOYSA-N 421.421 -0.445 50 20 HBGD C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NNC(=O)[C@@H]1CCc2nncn2C1 816871135 BLHDKAKIISVTSA-DGCLKSJQSA-N 417.451 -0.773 50 20 HBGD CS(=O)(=O)c1nc(C(=O)NNC(=O)[C@H]2CCc3nncn3C2)c2ccccn12 816880009 AORITOHIJBMNMV-JTQLQIEISA-N 403.424 -0.647 50 20 HBGD Cn1c(=O)c2cc(C(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)n(C)c2n(C)c1=O 919685727 SHYXLKKZVCIPHG-UHFFFAOYSA-N 400.351 -0.441 50 20 HBGD O=C(NNC(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1)N[C@@H]1CCS(=O)(=O)C1 919883759 CIMDBQAAWRHXCK-JKSUJKDBSA-N 422.507 -0.015 50 20 HBGD C[C@@H](CN1CCN(C)CC1)NC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 1318297131 GSBUXXFUCHOEMS-ZDUSSCGKSA-N 401.471 -0.487 50 20 HBGD CN(C)CCS(=O)(=O)c1ccccc1C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1319661165 UTJCURZVRRIULK-GFCCVEGCSA-N 417.509 -0.782 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC=CO3)C2)C1 1778984773 OKKBTYIAXMJPNY-FXAWDEMLSA-N 400.240 -0.497 50 20 HBGD C[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)N(C)C)CCO2)C1 1783529978 ZZBAHFAUOSVAMQ-ABAIWWIYSA-N 405.293 -0.129 50 20 HBGD Cc1nccnc1C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783935383 OPRDKKAMZYCYRI-IBGZPJMESA-N 404.471 -0.398 50 20 HBGD CCOC(=O)N[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)CCl)C2 1797583064 MOHIETDFDGRAHM-GFQSEFKGSA-N 405.879 -0.095 50 20 HBGD C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1831456391 JIHFTBWAJPPMPJ-XUJVJEKNSA-N 414.883 -0.342 50 20 HBGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CS(C)(=O)=O)C2)C1 1831647359 UBTNJALOEPHTQS-XJKSGUPXSA-N 410.920 -0.105 50 20 HBGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCO2)C1 1835736346 RGQVXSALRWTCJY-IYOUNJFTSA-N 418.922 -0.557 50 20 HBGD O=C(CN1C(=O)C=CC1=O)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1840264061 HAMMOKBPHFMMKM-MRXNPFEDSA-N 420.249 -0.829 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)OC)CCO2)C1 1840322383 ALEDXKPNZUZLFO-MLGOLLRUSA-N 407.851 -0.947 50 20 HBGD CN1CCC(C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)CC1 1841096918 YNKGDZOYZYRZOR-UHFFFAOYSA-N 400.483 -0.156 50 20 HBGD Cc1ccc(-c2nnc(S)n2CC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1 729275977 UMCRWNPOKQXPDC-JTQLQIEISA-N 412.497 -0.373 50 20 HBGD O=C(NCCN1CCN(C(=O)C2CCCCC2)CC1)NNC(=O)C(=O)NC1CC1 733650966 AYTQNTIZTDULNF-UHFFFAOYSA-N 408.503 -0.680 50 20 HBGD O=C(NNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)N1CCCC1 748246942 HXZKUEKVICDFES-UHFFFAOYSA-N 408.480 -0.143 50 20 HBGD COC(=O)c1nscc1S(=O)(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 755955839 IYAULWFLBAFIRJ-UHFFFAOYSA-N 409.409 -0.471 50 20 HBGD C[C@@H](C(=O)N1CCCC1)N1CCN(CC(=O)NNC(=O)c2ccc(C#N)cc2)CC1 756047274 MFBIBCMFYHYCJS-INIZCTEOSA-N 412.494 -0.052 50 20 HBGD CCOCCC1(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CCCC1 766637919 WDZFZJVUKXTQGU-UHFFFAOYSA-N 420.470 -0.432 50 20 HBGD CC(C)(C)OC(=O)N1CC(OCCC(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)C1 776974223 WDXRCWPIYWARJZ-NSHDSACASA-N 420.488 -0.470 50 20 HBGD COCCCNC(=O)NNC(=O)[C@](C)(NC(C)=O)c1ccc(S(C)(=O)=O)cc1 797714067 ZCZWYMJLHIXLDY-QGZVFWFLSA-N 414.484 -0.192 50 20 HBGD C[C@H]1CN(CCC(=O)NNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C[C@H](C)O1 912920205 YEGDFPAWDNLBPD-KBPBESRZSA-N 423.495 -0.517 50 20 HBGD COc1ccccc1OCC(=O)NNC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 921233689 KHYPIQJIGKDGAK-UHFFFAOYSA-N 406.420 -0.281 50 20 HBGD CS(=O)(=O)NCCc1ccc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)s1 1248462663 YZNUWDMBCDKBRJ-SECBINFHSA-N 409.511 -0.965 50 20 HBGD COCc1c[nH]c(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1 1783935824 XAXWTLIWXOAEHD-HXUWFJFHSA-N 421.498 -0.022 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCOC3=O)C[C@@H]21)[C@H](O)CCl 1784093055 PHYVHAKOJGFLSX-FQUUOJAGSA-N 403.863 -0.592 50 20 HBGD CN[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21)C(=O)O 1786897548 LYFZGAXITYISDS-JPYZYGQNSA-N 424.267 -0.281 50 20 HBGD CS(=O)(=O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]2C1 1789922271 HHGQQDFEOHMJGQ-GMOBBJLQSA-N 415.281 -0.299 50 20 HBGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)C=CC3=O)C[C@@H]21 1791258021 WHNNFWUQJVNNMF-FQUUOJAGSA-N 413.858 -0.855 50 20 HBGD O=C(CCBr)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)C=CC1=O)C2 1795117268 WWFYNXLFSOVGJK-CULMDFNYSA-N 414.256 -0.714 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cccnc1 1795877112 JEWFSWGJBOBZSQ-UPHUGPLXSA-N 417.510 -0.023 50 20 HBGD Cn1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnccc2C(=O)NN)C3)n1 1796250011 NTOCJNYSZASRNS-QDMKHBRRSA-N 411.466 -0.087 50 20 HBGD CN1CCN(C2(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@@H](F)Cl)CC2)CC1 1796367747 SRHJFJNVQROXFB-LXTVHRRPSA-N 402.898 -0.110 50 20 HBGD 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)CN)C2 1796440623 VIXPFGSTYPEPHG-QLHHLMATSA-N 404.471 -0.695 50 20 HBGD C[C@@H](Br)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN(CCO)CCO)C2 1801967117 YWIBISUUNQTVGU-YIYPIFLZSA-N 406.321 -0.305 50 20 HBGD O=C(CN(CCO)CCO)N1CCC2(CCCN(C(=O)[C@@H](O)CCl)C2)CC1 1805526370 RHVMUMYJNALSHP-HNNXBMFYSA-N 405.923 -0.896 50 20 HBGD O=C(Cn1ccncc1=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](O)CCl)CC2 1824529278 NSEAJVQQOUEMME-MWLCHTKSSA-N 411.871 -0.088 50 20 HBGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)C3CC(O)C3)CCO2)C1 1830588543 ZHWJMCCQFWAVRI-NEQJSVFRSA-N 405.289 -0.003 50 20 HBGD O=C(c1ncccc1F)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731426 JIMPNHUCNUIWLP-GUYCJALGSA-N 401.822 -0.110 50 20 HBGD O=C(NC1CCN(C2CCN(C(=O)CN3CCOC3=O)CC2)CC1)[C@H](O)CCl 1833305995 IOUSKVBDHNWKDO-OAHLLOKOSA-N 416.906 -0.390 50 20 HBGD CC(=O)Nc1cccc(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)n1 1842163555 XNTBSAODMFPEFF-UHFFFAOYSA-N 422.250 -0.149 50 20 HBGD O=C(c1ccc(Cl)nn1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011509 KRFSRHMVFBWPOZ-UHFFFAOYSA-N 400.631 -0.059 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)CSCC(=O)O)C1 1846391022 OVAMQUMPGOHNSP-UHFFFAOYSA-N 407.452 -0.680 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 725871871 HXQFOEGROLXICO-UHFFFAOYSA-N 417.382 -0.124 50 20 HBGD CCc1ccccc1OCC(=O)NNC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 743282350 LAQOPZCPFQVHTM-DTTOXWODSA-N 401.419 -0.062 50 20 HBGD CC(C)NC(=O)C(=O)NNC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O 744447103 XUAIJMBKIFGKGD-GFCCVEGCSA-N 402.407 -0.253 50 20 HBGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)c2sccc2S(N)(=O)=O)c1 744627408 NPUHQDOCMISIMW-UHFFFAOYSA-N 408.417 -0.115 50 20 HBGD C[C@H](C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1)c1cnn(C)c1 750241814 MIBRSYUJQICMSL-ZDUSSCGKSA-N 407.500 -0.002 50 20 HBGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)co1 755408995 DJCPWQXLKZUTRA-UHFFFAOYSA-N 415.453 -0.444 50 20 HBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cncc(I)c1 756870217 IAGOIPGDJOANNH-ZETCQYMHSA-N 409.205 -0.118 50 20 HBGD CN1C(=O)N(CC(=O)NNC(=O)C(=O)Nc2ccccn2)C(=O)C12CCCCC2 758830375 AJSRPCXXFADNIZ-UHFFFAOYSA-N 402.411 -0.236 50 20 HBGD C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)Cc1ccsc1 763050679 TVAIVZMYMIARAM-JTQLQIEISA-N 410.477 -0.096 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(Cc2ccncc2)cc1 764226874 KTYAMKDFCJMMKU-GFCCVEGCSA-N 419.463 -0.304 50 20 HBGD CCS(=O)(=O)c1ccc(Cl)cc1NC(=O)C(=O)NNC(=O)[C@H]1COCCO1 764427352 YYAKKKIDFUCBAW-LLVKDONJSA-N 419.843 -0.365 50 20 HBGD Cc1ccc(F)c(OCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 765724557 LZQWLKFYNCZRQD-UHFFFAOYSA-N 418.385 -0.892 50 20 HBGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C 770992017 UYNGCLYALMRXIK-JTQLQIEISA-N 409.509 -0.195 50 20 HBGD Cn1c(=O)c2cc(NC(=O)C(=O)NNc3ccc([N+](=O)[O-])cc3)cnc2n(C)c1=O 773643550 BKJFCACHCPETQC-UHFFFAOYSA-N 413.350 -0.378 50 20 HBGD COC(=O)Cc1cccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)c1 784005400 YXUHPEHNEPWYGP-UHFFFAOYSA-N 418.431 -0.021 50 20 HBGD O=C1CN(CC(=O)N2CCO[C@]3(CCN(C(=O)[C@H](F)Br)C3)C2)C(=O)N1 1781327164 XULDPRHLNWHUEM-SMDDNHRTSA-N 421.223 -0.941 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(CN(C(=O)CCCn3ccnc3)CCO2)C1 1783937724 NTQXWIKUTQMBTK-FQEVSTJZSA-N 420.514 -0.134 50 20 HBGD CC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNCP(=O)(O)O)C[C@@H]21 1789860930 FVZTUAGHMBPCLG-RVMXOQNASA-N 411.823 -0.292 50 20 HBGD CN[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2)C(=O)O 1795645323 JGPXLIHMLGGKBG-RWRJDSDZSA-N 410.240 -0.671 50 20 HBGD CC1=C(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)CCO1 1795946374 IUFHCLSTWARVCC-JLVBRIDZSA-N 400.240 -0.736 50 20 HBGD CN1N=C(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](F)Br)CCC1=O 1799344654 PREFYEYLWRUMTN-OTMMVIPVSA-N 419.251 -0.125 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)cco3)CCO2)C1 1834608691 WCDGFKZPBWFVJE-KBXCAEBGSA-N 414.842 -0.036 50 20 HBGD COCCOCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1835248765 XPVIGJYBGVQTJK-CZUORRHYSA-N 423.304 -0.111 50 20 HBGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1837367151 PXJBHPXIMQNKBQ-MEBBXXQBSA-N 417.260 -0.898 50 20 HBGD C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837461125 OTFMGBOHTNMRMA-IBGZPJMESA-N 403.439 -0.669 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccccc1)CCO2 1838850424 XCBWJQCTWMNLCI-JOCHJYFZSA-N 424.262 -0.250 50 20 HBGD CN1CCC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)C1 1839062393 AGPWSNDWLNIPLK-HDMKZQKVSA-N 403.907 -0.616 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)CCC(N)=O)C2)C1 1839143581 AXNYNCDTWZXDRJ-IIYDPXPESA-N 404.895 -0.947 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)C(=O)Nc1cccnc1)C2 1846385355 VHWREHDGVSVANY-UHFFFAOYSA-N 402.455 -0.404 50 20 HBGD CS(=O)(=O)N1CCN(CCNC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 727240722 VQJGARNEIIEMAC-UHFFFAOYSA-N 414.444 -0.884 50 20 HBGD Cn1cc(C(=O)NNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)cn1 735446427 WXDWKAUUAPIJPB-UHFFFAOYSA-N 411.415 -0.345 50 20 HBGD NC(=O)COc1cccc(CNC(=O)NNC(=O)CNC(=O)c2cccs2)c1 745900226 UMSALGBHRNKZLS-UHFFFAOYSA-N 405.436 -0.127 50 20 HBGD NC(=O)c1ccc(CC(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 753482902 PFMOAWOTTDEIMH-MRXNPFEDSA-N 413.386 -0.141 50 20 HBGD Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 763811751 LYKODNNXSSHXHG-UHFFFAOYSA-N 406.420 -0.193 50 20 HBGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1 764426166 UBRDHILIDUVHJR-IUODEOHRSA-N 411.386 -0.115 50 20 HBGD CN1CCC(N(C)c2ccc(NC(=O)C(=O)NNC(=O)[C@H]3COCCO3)cc2)CC1 764431961 HGLBZFQXHXJKJQ-QGZVFWFLSA-N 419.482 -0.282 50 20 HBGD CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc([S@](C)=O)cc1 764818877 XIOFXAMFELGIAY-LJAQVGFWSA-N 416.463 -0.289 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2ccc3c(c2)OCO3)n(C)c1=O 765313512 RYGYCDSTKGFKEU-UHFFFAOYSA-N 415.366 -0.985 50 20 HBGD COc1cccc(CCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 765729682 XXEKCEZNQFUBLS-UHFFFAOYSA-N 414.422 -0.778 50 20 HBGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 784000261 SYMFTRHLUHAHFQ-HNNXBMFYSA-N 404.423 -0.047 50 20 HBGD O=C(CO)NNC(=O)C(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 790952638 PGXQPKGBRCNOPX-UHFFFAOYSA-N 413.228 -0.237 50 20 HBGD CC(C)(C)OC(=O)N[C@H](C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)C(F)(F)F 813421158 QZCVWUKOVWBPBB-JGVFFNPUSA-N 418.394 -0.041 50 20 HBGD Cc1csc(CC(=O)NNC(=O)COC(=O)Cn2nc3n(c2=O)CCCCC3)n1 1318257834 INKWRHOQLNAOGU-UHFFFAOYSA-N 422.467 -0.531 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCCCO3)[C@H]2C1 1783614531 POSSKBZIARLELN-QAETUUGQSA-N 410.515 -0.092 50 20 HBGD COCC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)CC1 1784473056 ZVRILVUZPBXGRE-JYJNAYRXSA-N 410.515 -0.234 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)CCN3CCCC3)C2)C1 1785675603 ROFLGWLHEGBJQP-HXUWFJFHSA-N 409.531 -0.325 50 20 HBGD O=C(Cc1ccc2ncnn2c1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1789714804 UTXCREAVVMUXDZ-VGWMRTNUSA-N 421.885 -0.149 50 20 HBGD C[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)N1C[C@@H]2C[C@H]2C1 1796191482 QHZKKZOCDUCCEY-LTAPWVTPSA-N 411.311 -0.042 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]c2c1CS(=O)(=O)C2)[C@@H](O)CCl 1796385823 NTGXYIYGFVSECZ-WJZNIJOASA-N 416.887 -0.310 50 20 HBGD O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1812878009 CKPGCFCYYODJBI-UZLBHIALSA-N 421.218 -0.831 50 20 HBGD O=C(c1cc(Cl)ncn1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830730928 GLDMWLNSGPUMJY-LRDDRELGSA-N 419.265 -0.200 50 20 HBGD CCN1CCC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)CC1 1840926190 PTROGRNACVUYHF-VQIMIIECSA-N 417.934 -0.226 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2ccnc3c2OCO3)C1 1844660448 JFQJRKQJJHIQRK-UHFFFAOYSA-N 409.207 -0.379 50 20 HBGD C[C@@H](CBr)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@H]1NC(=O)NC1=O 1847494288 NTJSTQGPLQAAQK-VLEAKVRGSA-N 401.261 -0.183 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 728509798 OAYDFWIWZHBMEC-SSDOTTSWSA-N 405.376 -0.168 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CCn1c(S)nnc1-c1cccs1 729274917 HHVMAOZULGZYME-QMMMGPOBSA-N 418.526 -0.230 50 20 HBGD CC(C)N(C)S(=O)(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 742233202 XDQOZFFSKPDMKO-UHFFFAOYSA-N 420.513 -0.473 50 20 HBGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1 742535416 RSDTWYYWJUEITJ-GBOPCIDUSA-N 421.431 -0.987 50 20 HBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 746102370 AWEJIGQHQDOZAV-OLZOCXBDSA-N 400.501 -0.067 50 20 HBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1cc(Br)cnc1-n1cccn1 764203060 FMUPASWEZZALAF-UHFFFAOYSA-N 410.232 -0.323 50 20 HBGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(-c2nnc(N(C)C)o2)cc1 764401837 XZGKUSALYHKRRO-LLVKDONJSA-N 420.426 -0.060 50 20 HBGD COc1ccc(NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c([N+](=O)[O-])c1 768331532 BVYGGNUMWNTHJP-UHFFFAOYSA-N 403.355 -0.506 50 20 HBGD CCOC(=O)c1cc(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)ccc1C 795303427 OZIJLHRZIWWYJU-NSHDSACASA-N 419.481 -0.149 50 20 HBGD Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 810345395 GULAIVQQLFLIHP-RXMQYKEDSA-N 405.786 -0.051 50 20 HBGD CCn1nc(C(=O)NNC(=O)NCCS(=O)(=O)N(C)C)c2ccccc2c1=O 812691719 FYJOCQSFTJFGKM-UHFFFAOYSA-N 410.456 -0.748 50 20 HBGD CS(=O)(=O)CCNC(=S)NNC(=O)Cc1csc(N2CCOCC2)n1 1318275230 GDBMUJFBHHRIAV-UHFFFAOYSA-N 407.543 -0.938 50 20 HBGD O=C(CNC(=O)c1cccnc1)NNC(=O)Cn1nc(-c2ccccc2)ccc1=O 1322619245 LRPDVBGVZXGNQM-UHFFFAOYSA-N 406.402 -0.117 50 20 HBGD C[C@@H](CBr)C(=O)N1CCO[C@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1 1778933777 RJHLFQGNPNRGAY-BONVTDFDSA-N 401.261 -0.277 50 20 HBGD Cc1ncoc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779030836 IWTPWGSYYNOQSY-IBGZPJMESA-N 414.422 -0.261 50 20 HBGD C[C@@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779376015 UXNZHEMIZVPWFS-KPAZRMRSSA-N 405.455 -0.807 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1cscn1)CCO2 1783934007 RWHJEZHMCLCQAW-GOSISDBHSA-N 409.512 -0.112 50 20 HBGD O=C1CC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]3C2)=NN1 1789925328 DZYLLQFWKHVGFK-PRLGWJNPSA-N 405.224 -0.468 50 20 HBGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)N(C)C)C[C@@H]21 1791250506 HPMHSDMDAXZWLB-XUXIUFHCSA-N 404.895 -0.509 50 20 HBGD C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1792566309 NUDUDFUTQMZHIL-BZYLRBNYSA-N 411.267 -0.523 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C/N=C/c1ccco1 1797839161 QAEMAGUQLCHFDZ-LQICCSQBSA-N 419.482 -0.339 50 20 HBGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)c1ncon1 1811178837 KIGRHYAVOBNEGC-NVXWUHKLSA-N 421.222 -0.222 50 20 HBGD NC(=O)[C@H](N)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](O)CCl)[nH]n1 1817352415 IPISHALOAQJNBJ-USWWRNFRSA-N 400.867 -0.406 50 20 HBGD O=C([C@@H](O)c1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830722578 DQUQMRJFLANYIE-BXWFABGCSA-N 412.870 -0.224 50 20 HBGD COc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)nc1 1830727966 LNNRGXIKVNWFJP-CRAIPNDOSA-N 413.858 -0.240 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CNC(=O)O3)CCO2)C1 1831573239 ACDBKLBYBFMEBZ-XZJROXQQSA-N 424.281 -0.213 50 20 HBGD O=C(NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)c1cc(O)ncn1 1833553656 SJHSUSXAMHGPLR-HNNXBMFYSA-N 411.890 -0.033 50 20 HBGD O=C(CCN1CCOCC1)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1835449774 SHWWOPLKRSJVRP-QGZVFWFLSA-N 424.325 -0.031 50 20 HBGD O=C(c1n[nH]cc1[N+](=O)[O-])N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1837794626 VTFJDRKIXFHABM-RISCZKNCSA-N 405.770 -0.078 50 20 HBGD COC[C@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)CNC(=N)N)CC2)CC1 1837845123 OAWCXRBKYTWWSQ-AWEZNQCLSA-N 403.911 -0.278 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cn(C)c3ccccc23)n(C)c1=O 10736606 MDJISWJSYYLCFU-UHFFFAOYSA-N 409.406 -0.613 50 20 HBGD C#CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)CNC(=O)c2cccs2)cc1 725741971 WXKUGTFJHNNSOQ-UHFFFAOYSA-N 420.472 -0.149 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CCn1c(S)nnc1-c1cccs1 729274916 HHVMAOZULGZYME-MRVPVSSYSA-N 418.526 -0.230 50 20 HBGD CSc1ccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)nc1 758003415 PXISTEREIAJKGO-UHFFFAOYSA-N 418.439 -0.597 50 20 HBGD CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NNC(=O)COc1ccccc1F 763680647 UWNAQHLZINPBPM-UHFFFAOYSA-N 407.358 -0.099 50 20 HBGD Cc1cc(C)n(-c2cccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c2)n1 764228678 ZSJYFZGCBMYTBI-LBPRGKRZSA-N 422.467 -0.487 50 20 HBGD CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NNC(=O)Cn2ccc3ccccc32)n1 764242397 PWAVKCCARWDNEI-UHFFFAOYSA-N 411.422 -0.288 50 20 HBGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1cccc(-c2n[nH]c(C3CC3)n2)c1 764429827 NMURDVAAEWMCOX-ZDUSSCGKSA-N 400.395 -0.150 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2cccc3c2OCCCO3)n(C)c1=O 764812445 LJJUHBBPTPEBIW-UHFFFAOYSA-N 412.406 -0.255 50 20 HBGD CC(C)[C@@H](C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1)N1CCCS1(=O)=O 773182340 AZPYUMXIEVPSIN-INIZCTEOSA-N 422.463 -0.077 50 20 HBGD COC(=O)CNC(=O)NNS(=O)(=O)c1cc(C(=O)O)c(F)c(Cl)c1F 779845472 FDCUHWDEUPBLOJ-UHFFFAOYSA-N 401.731 -0.018 50 20 HBGD Cn1ncc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 785704718 FRLIRGAXUZZSAY-UHFFFAOYSA-N 422.467 -0.770 50 20 HBGD COC1(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)CCOCC1 786392086 OURXLXCQSWHZOH-UHFFFAOYSA-N 404.467 -0.213 50 20 HBGD CC(C)(C)OC(=O)N1CCN(CCC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)CC1 792026989 DUBZAIIYWGIAMF-CYBMUJFWSA-N 418.516 -0.489 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1Cc2cc(Br)ccc2O1 792643411 WDGUOXSBOPFEBG-CPCISQLKSA-N 406.258 -0.162 50 20 HBGD CC(=O)c1cccc(S(=O)(=O)NCC(=O)NNC(=O)CNC(=O)c2ccco2)c1 810307756 HWLXOOQBKWOVSL-UHFFFAOYSA-N 422.419 -0.662 50 20 HBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCC(=O)N1CCOCC1 1319850088 DGYNCUVQIMXSAC-UHFFFAOYSA-N 412.472 -0.909 50 20 HBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2)[C@@H]1CCCS1(=O)=O 1781650537 WJYWQGTXFNKHDG-SZOQZIPDSA-N 422.931 -0.323 50 20 HBGD O=C(Cn1ccncc1=O)N1CC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1782665350 CABQNOCNKDAPST-ZFWWWQNUSA-N 417.235 -0.236 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCCO3)C2)C1 1783484772 UYIGLYVXFUSSKP-DNVCBOLYSA-N 403.439 -0.692 50 20 HBGD CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Cl)C[C@@H]21 1784440827 UVWCHEINRIMSBV-PJSNJIKXSA-N 413.899 -0.172 50 20 HBGD C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)CCBr)CCO2)C1)n1cnnn1 1784596127 YKMZAQUYALHKLG-BXUZGUMPSA-N 401.265 -0.151 50 20 HBGD C[C@@H](Nc1cnccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1788622383 PSVALDPWCSZLIV-FQKPHLNHSA-N 411.890 -0.144 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CC[C@H]2CO[C@@H](CNC(=O)C(F)(F)Cl)[C@H]2C1 1791426753 YPSNIIRLUDWETL-UBHSHLNASA-N 416.617 -0.209 50 20 HBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](O)CCl)C2 1798472971 FBNNHWGAMPOKEO-KHMAMNHCSA-N 404.847 -0.281 50 20 HBGD Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c(O)c1 1801692052 GYOAVULJEYCAOS-CWPLJXCYSA-N 424.262 -0.103 50 20 HBGD O=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)=NN1 1819340405 UHZUDYUSVKPCRQ-OAHLLOKOSA-N 424.226 -0.729 50 20 HBGD COCCC(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1834563021 HOVAUJRJUWFGLQ-UHFFFAOYSA-N 411.547 -0.033 50 20 HBGD CCC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](N)CCC(N)=O)CCO2)C1 1835557212 AGNOUSQNHBWCGW-GLJUWKHASA-N 418.922 -0.557 50 20 HBGD Cn1cc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cn1 1835986402 QREJAUGIYBXGCZ-MAUKXSAKSA-N 414.890 -0.591 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)CSC(=N)N)C2 1843415867 WFXZMVNMHYIIMO-SRZZPIQSSA-N 405.484 -0.050 50 20 HBGD COc1ccc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)c(OC)c1OC 730568817 CUQLVLVZCQGFIP-UHFFFAOYSA-N 423.451 -0.253 50 20 HBGD CS(=O)(=O)N1CCC(CNC(=O)NNC(=O)COc2ccccc2O)CC1 730828405 XQQTXMBGLPOWKP-UHFFFAOYSA-N 400.457 -0.227 50 20 HBGD Cc1noc(C)c1[C@@H](C)CC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 754081098 YXRGNPOIVKEJSG-VIFPVBQESA-N 417.426 -0.620 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccccc1C(=O)N1CCOCC1 755625364 YZPDPIJQTFXASE-LLVKDONJSA-N 413.456 -0.751 50 20 HBGD CC(C)(C)OC(=O)N1CCC2(CC1)CC(C(=O)NNC(=O)C(=O)NC1CC1)=NO2 760073855 KXWVOIUYPDNBDI-UHFFFAOYSA-N 409.443 -0.042 50 20 HBGD CC(C)n1nnnc1-c1ccccc1NC(=O)C(=O)NNC(=O)[C@H]1COCCO1 764434668 RDUOIHKBIDPGEN-CYBMUJFWSA-N 403.399 -0.578 50 20 HBGD CCc1nc2ccccc2n1CC(=O)NNC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 765187272 YEIAWUOIBGCORJ-CYBMUJFWSA-N 407.496 -0.135 50 20 HBGD COC(=O)NC(C)(C)C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766645035 YMIMYQPMZDMZOJ-UHFFFAOYSA-N 405.455 -0.274 50 20 HBGD COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)C(C)(C)O 768247981 ROQQGZRCMCEPNX-UHFFFAOYSA-N 401.441 -0.752 50 20 HBGD Cc1ccn(CC(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c(=O)c1 772392347 ZHWZWJHBVJUFKI-UHFFFAOYSA-N 411.462 -0.238 50 20 HBGD CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)NNC(=O)C(=O)Nc2ccccn2)=NO1 798977230 PLAZBCRUGAYCGC-JTQLQIEISA-N 406.399 -0.163 50 20 HBGD O=C(NNS(=O)(=O)CCOCCN1C(=O)c2ccccc2C1=O)c1ccccn1 821116046 HTMRBSWXYSROAT-UHFFFAOYSA-N 418.431 -0.041 50 20 HBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCNC(=O)COC)c1 1321995030 WWJWLOAPGVQDHW-UHFFFAOYSA-N 414.484 -0.369 50 20 HBGD CC(=O)C[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1783828549 CLMAMWKAETVONQ-RBZFPXEDSA-N 417.466 -0.256 50 20 HBGD Cc1cc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)nn1C 1793297759 DJHHDTOYVHIAEK-GGPHIMKMSA-N 410.283 -0.097 50 20 HBGD C[C@H](CS(C)(=O)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1793596369 LIRMMXCCSYGGFY-VDNDLQMASA-N 422.312 -0.701 50 20 HBGD CCCC(=O)N[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796191810 BBKFBICXRVQKDL-RUGDWHBFSA-N 415.299 -0.077 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CCC(=O)NC1)C2 1798440194 QCDHNGOWZBBNAT-FQUUOJAGSA-N 414.466 -0.537 50 20 HBGD C[C@H](NC(=O)c1cnccn1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](O)CCl)C2 1798549495 JHZZIOKWOILHTG-AIUMHDJVSA-N 409.874 -0.167 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COCCO 1800147959 XLAQNPBXYGXYCM-UGYGMJENSA-N 405.455 -0.233 50 20 HBGD CCS(=O)(=O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)Br 1800757988 ZOXKVLHAOFLUQO-KQXIARHKSA-N 411.318 -0.206 50 20 HBGD O=C1CC(C(=O)N2CCC3(CCCN(C(=O)c4ccc(B(O)O)cc4)C3)CC2)=NN1 1809971009 IKPLIQPAUPCWQS-UHFFFAOYSA-N 412.255 -0.913 50 20 HBGD Cc1cnn(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1 1830722856 HPHIPYOTTRPGQT-PBHICJAKSA-N 400.863 -0.752 50 20 HBGD CC(C)(C)OC(=O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830726473 QKJXUESQLWUAFX-SCLBCKFNSA-N 420.890 -0.226 50 20 HBGD Cn1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)n1 1834818867 FCSNSCGRUMJKCD-OAHLLOKOSA-N 416.276 -0.330 50 20 HBGD CN(CC(=O)N1CCC(N2CCC(NC(=O)[C@H](F)Cl)CC2)CC1)C(=O)C(=O)O 1835081535 VHXROXBCQXICHW-AWEZNQCLSA-N 420.869 -0.365 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H]3NC(=O)NC3=O)C2)C1 1839142569 SBEJBXKVZCUJDN-XWCIJXRUSA-N 416.862 -0.942 50 20 HBGD C[C@H](Nc1cnccn1)C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844264431 RSCKRDIXWCXNDU-ZDUSSCGKSA-N 424.465 -0.207 50 20 HBGD C[C@@H](Nc1cnccn1)C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1844278410 VAQWVRLNJLPVKQ-CQSZACIVSA-N 409.255 -0.526 50 20 HBGD C[C@@H](C(=O)N1CC2(CCCN2C(=O)CCC(=O)NN(C)C)C1)N1CCN(C)CC1 1846385581 WKFUBOWNMZNNIQ-INIZCTEOSA-N 408.547 -0.801 50 20 HBGD COCCCNC(=O)NNS(=O)(=O)c1cc(C(=O)OC)sc1C(=O)OC 726520270 BBAXJSKZVNTFEB-UHFFFAOYSA-N 409.442 -0.150 50 20 HBGD Cn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1cccc3ncccc13)c(=O)n2C 730225099 MEIMZAOYNDHWBM-UHFFFAOYSA-N 407.390 -0.557 50 20 HBGD COc1ccc(S(=O)(=O)CCC(=O)NNC(=O)N2CCOCC2)cc1OC 740820025 NXPUANMWUFRGNF-UHFFFAOYSA-N 401.441 -0.059 50 20 HBGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1 744565991 SEOOWDZATSIKNF-UHFFFAOYSA-N 413.390 -0.273 50 20 HBGD CC(C)NC(=O)C(=O)NNS(=O)(=O)c1ccc(C(=O)O)cc1Br 747602282 PPUVDVXYWHDWSM-UHFFFAOYSA-N 408.230 -0.019 50 20 HBGD COC(=O)COc1ccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1Cl 757739065 ZQMQHYLUHNOARI-QMMMGPOBSA-N 422.847 -0.018 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)cc1 761734669 QQXSOZYOTMKVOR-UHFFFAOYSA-N 403.420 -0.421 50 20 HBGD CCC(=O)Nc1ccc(C)c(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 764231308 OHZICQHGWWFGAW-JTQLQIEISA-N 413.456 -0.633 50 20 HBGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(N2CCCN(C)CC2)cc1 764397024 DYCKQUQVKCZLCH-HNNXBMFYSA-N 421.498 -0.034 50 20 HBGD COC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)cc1Cl 764423570 BLJICQCSHSZUES-LBPRGKRZSA-N 415.786 -0.607 50 20 HBGD CNS(=O)(=O)c1cccc(CNC(=O)NNc2nc(O)c3cnn(C)c3n2)c1 770340039 HKMJMLLFDLXUQU-UHFFFAOYSA-N 406.428 -0.197 50 20 HBGD Cn1ncc2c(O)nc(NNC(=O)CCN3CCN(C(=O)[C@H]4CCCO4)CC3)nc21 770974287 KWTBHRHDPGAMLK-CYBMUJFWSA-N 418.458 -0.775 50 20 HBGD COC(=O)CNC(=O)NNS(=O)(=O)c1ccc(NC(=O)C2CC2)cc1OC 779845079 PAENHZFWTBJTMJ-UHFFFAOYSA-N 400.413 -0.291 50 20 HBGD COC(=O)CNC(=O)NNS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1 779846272 LLSLWXVHBACKTH-UHFFFAOYSA-N 412.346 -0.356 50 20 HBGD O=C1CN(CCNC(=O)NNC(=O)c2ccc(F)cc2Br)CCN1 781405476 GZAFLWNQSCCBDC-UHFFFAOYSA-N 402.224 -0.036 50 20 HBGD N#Cc1cc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)ccc1OC(F)(F)F 799834649 HFCPAKBREVMUGK-LLVKDONJSA-N 402.285 -0.042 50 20 HBGD NS(=O)(=O)CCN1CCN(C(=O)NNC(=O)Cn2ccc3ccccc32)CC1 799921446 RXMUYPFZYCBENA-UHFFFAOYSA-N 408.484 -0.712 50 20 HBGD CN(C)S(=O)(=O)n1ccnc1C=NNC(=O)Nc1ccc(S(N)(=O)=O)cc1 814968104 OMWSKKALAQNLCZ-UHFFFAOYSA-N 415.457 -0.659 50 20 HBGD O=C(NCc1ccc(Cl)cc1)C(=O)NNC(=O)c1ccc(-n2cnnn2)cn1 857478912 BLGZZSUWUKNQCM-UHFFFAOYSA-N 400.786 -0.212 50 20 HBGD CC(=O)NCC(=O)NCC(=O)NNC(=O)COc1ccc(Br)cc1 918690270 VNJMFOUPXXYOGS-UHFFFAOYSA-N 401.217 -0.772 50 20 HBGD CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C(Cl)Cl)C2)C1 1783941648 FQHJVUJABNBRGU-YGRLFVJLSA-N 416.327 -0.052 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21)[C@@H](O)CCl 1784090924 FJSHQSYDISBFFY-QSFUFRPTSA-N 401.807 -0.489 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC(F)(F)F 1795405650 GXTSUKPEWWYLGL-WDAIWFPHSA-N 415.372 -0.159 50 20 HBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC(F)(F)F)C2 1797750678 NGZQUQSVDJJPFK-WDAIWFPHSA-N 415.372 -0.159 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccc(F)nc1 1798039476 SOGHSKUTPGJYQV-JLVBRIDZSA-N 413.214 -0.583 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1ccc(O)nn1)c1cccc(B(O)O)c1 1801233922 SNDVFBWXTIUVIR-BCDXTJNWSA-N 424.266 -0.253 50 20 HBGD CN1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)C1 1817479464 NESKSHRKSWJMCK-QGZVFWFLSA-N 411.271 -0.043 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C(O)O)CC1 1828923252 AFOMRIOUOXBTGZ-OAHLLOKOSA-N 405.455 -0.771 50 20 HBGD CC1CCN(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)CC1 1831098769 PIRKKXYSFLCQAG-APWZRJJASA-N 417.934 -0.226 50 20 HBGD CN1CCN(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Cl)C3)C2)CC1 1835403840 WACLQEZKLHOIJZ-AEFFLSMTSA-N 420.913 -0.385 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncnn3C)C2)C1 1840150033 DYWIWOGTQONSSS-MLGOLLRUSA-N 401.851 -0.861 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCCC12CN(C(=O)CN1CCN(C(C)=O)CC1)C2 1846362820 XPRUZNBJLQMRAL-OAHLLOKOSA-N 400.907 -0.392 50 20 HBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)N2CCCC2)cc1 17516794 YEMZYWXVFMXKMD-ZDUSSCGKSA-N 415.493 -0.333 50 20 HBGD Cc1csc(CC(=O)NNC(=O)CN2CCN(c3ncccc3C(N)=O)CC2)n1 726597690 WBRCALBCLZSXIF-UHFFFAOYSA-N 417.495 -0.542 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 729276196 YUTMQQLBQIWLOJ-NSHDSACASA-N 413.456 -0.104 50 20 HBGD Cc1c(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)nnn1-c1cccc(Cl)c1 729277257 XGHCZGBKCXJVBY-QMMMGPOBSA-N 400.848 -0.072 50 20 HBGD Cn1c(=O)nc(O)c2cc(S(=O)(=O)NNC(=O)COc3ccccc3O)cnc21 730812500 QSARNFNSYVHNFM-UHFFFAOYSA-N 421.391 -0.872 50 20 HBGD CCS(=O)(=O)N[C@H](CCSC)C(=O)NNC(=O)CNC(=O)c1cccs1 751209331 OESBJDRDLRTQAB-SNVBAGLBSA-N 422.554 -0.314 50 20 HBGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)CNC(=O)c2cccs2)c(C)o1 751367586 PSVDGNOHHSLNHH-UHFFFAOYSA-N 400.438 -0.251 50 20 HBGD COc1ccc(C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)c(OC)c1 755337028 MGFGUUJQVPJLBZ-JTQLQIEISA-N 411.440 -0.435 50 20 HBGD C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NNC(=O)C3CC3)cc2)C[C@@H](C)O1 763561109 CQUWFKCQZGBKOH-TXEJJXNPSA-N 424.479 -0.020 50 20 HBGD C[C@@H](CNC(=O)C(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2)S(N)(=O)=O 763942888 PPMMARMZZSDDLC-BDAKNGLRSA-N 402.498 -0.573 50 20 HBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1c(OC)ccc(S(N)(=O)=O)c1OC 772241699 ANPPJLSAHMSHAE-QMMMGPOBSA-N 403.413 -0.546 50 20 HBGD COC(=O)Cn1cc(C(C)=NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)nn1 772833969 VOIZIBINIOHXDP-UHFFFAOYSA-N 408.440 -0.145 50 20 HBGD COC(=O)c1scc(C)c1NC(=O)C(=O)NNC(=O)CNC(=O)c1ccco1 784002179 LNIQOZMAVHJDIO-UHFFFAOYSA-N 408.392 -0.048 50 20 HBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cc(C(=O)OCC)cc(S(C)(=O)=O)c1 784916986 GEYUJUQALLQBFJ-UHFFFAOYSA-N 414.440 -0.102 50 20 HBGD NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)NNC(=O)NCc1ccccc1 787374542 COGDUCGPIVPIOQ-UHFFFAOYSA-N 419.419 -0.228 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 789840208 VFVJRXVTPFHAQE-LBPRGKRZSA-N 413.456 -0.750 50 20 HBGD O=C(CC1CC1)NNC(=O)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 806977618 RFWQODFWBDQMBU-KGLIPLIRSA-N 400.435 -0.031 50 20 HBGD O=C(CCCN1C(=O)c2ccccc2C1=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919887044 YQEKXJJSGAHTHL-LLVKDONJSA-N 408.436 -0.420 50 20 HBGD Cc1cc(S(C)(=O)=O)cc(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1C 1319522022 XPZYAUMZXKTTEO-NSHDSACASA-N 403.482 -0.162 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)C3=COCC3)C2)C1 1784763956 NARSGOHUYFKYAK-LJQANCHMSA-N 401.423 -0.567 50 20 HBGD C[C@@H](Nc1cnccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1788622390 PSVALDPWCSZLIV-QTVXIADOSA-N 411.890 -0.144 50 20 HBGD CCCC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1788740102 YFUKMSKOPASHFD-FQKPHLNHSA-N 403.907 -0.129 50 20 HBGD CCC[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 1793445623 OONVXKGYZXKMQK-GHMOJZLGSA-N 400.863 -0.418 50 20 HBGD CCOC(=O)N[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CO[Si](C)(C)C)C2 1797585629 DDURTYKIAHZUIJ-FAXLKDOZSA-N 417.535 -0.508 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cncc(O)c1 1800812096 XCYDNGHEXCHSSM-ZSBFGKGUSA-N 405.455 -0.637 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1801011429 KVCLMOGBLIVHRQ-LQICCSQBSA-N 419.482 -0.339 50 20 HBGD O=C(N[C@@H]1CCc2nc(NC(=O)c3ncon3)sc2C1)c1cccc(B(O)O)c1 1821021383 SWOWZKYMHBSOQA-LLVKDONJSA-N 413.224 -0.255 50 20 HBGD O=C(c1ccc([N+](=O)[O-])o1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1829480760 FNDFDNSKVVXMIL-BDJLRTHQSA-N 417.802 -0.143 50 20 HBGD O=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1)c1ccco1 1832656561 ZXERWGZDXRMCPC-SJCJKPOMSA-N 400.815 -0.482 50 20 HBGD O=C(c1ncc(Cl)cn1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1833783354 RTWCQMBBCAEUFG-WBMJQRKESA-N 419.265 -0.200 50 20 HBGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=N)N)C2)C1 1839963861 ZAMNPFUPAZCTKD-ABAIWWIYSA-N 420.308 -0.901 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)N(C)C(C)=O)C2)C1 1840152935 YZOHXOMICIJBHN-XUWXXGDYSA-N 419.906 -0.437 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2nc3ccc(F)cn3n2)C1 1845728713 QNRSKFAOOXENEP-UHFFFAOYSA-N 423.213 -0.321 50 20 HBGD CC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnccc1C(=O)NN 1847292741 CLWQPSFKYGANSB-PMPSAXMXSA-N 402.455 -0.585 50 20 HBGD Cc1cc(C)n(CC(=O)NNC(=O)CNS(=O)(=O)c2c(F)cccc2F)n1 8292079 RWQGOUGMIHDUMD-UHFFFAOYSA-N 401.395 -0.096 50 20 HBGD CCn1nc(C(=O)NNC(=O)C2CCN(S(C)(=O)=O)CC2)c2ccccc2c1=O 14221577 GHRZTWWGFVNKIH-UHFFFAOYSA-N 421.479 -0.151 50 20 HBGD Cn1cnc2c1c(=O)n(CC(=O)NNC(=O)NCCc1cccs1)c(=O)n2C 65203380 FXGZQRQRUPKLCT-UHFFFAOYSA-N 405.440 -0.932 50 20 HBGD Cn1c(=O)c2c(SCC(=O)NNC(=O)C3CC3)nc(C(C)(C)C)nc2n(C)c1=O 742448454 CNAVSNFNMOLHMP-UHFFFAOYSA-N 420.495 -0.026 50 20 HBGD Cc1c(C(=O)NNC(=O)COc2ccc(C#N)cc2)cnc2c1c(=O)n(C)c(=O)n2C 747719857 XFZZALGSQNFIQY-UHFFFAOYSA-N 422.401 -0.348 50 20 HBGD CC(C)(C)NC(=O)CN1CCC(CNC(=O)NN[C@]2(C)CCS(=O)(=O)C2)CC1 751111582 QHIUIGCJDVHIPJ-GOSISDBHSA-N 417.576 -0.006 50 20 HBGD CN(C)CCn1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)n1 763576548 CIGGFPKPOFXNEB-CQSZACIVSA-N 402.411 -0.629 50 20 HBGD COc1cccc(Cn2nccc2NC(=O)C(=O)NNC(=O)CN(C)C)c1OC 764210770 HKHYHRUZSVIMLB-UHFFFAOYSA-N 404.427 -0.404 50 20 HBGD Cc1nc(O)c(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1Br 778573983 LDESRAUVJWANHZ-ZETCQYMHSA-N 407.246 -0.011 50 20 HBGD COCc1noc(CN2CCN(CC(=O)NNC(=O)c3cccc(C#N)c3)CC2)n1 781958923 ZDOIAKFKVRKELF-UHFFFAOYSA-N 413.438 -0.334 50 20 HBGD CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)NNC(=O)c2cccc(C)n2)c1 793230873 IINLFCIILIXPRP-UHFFFAOYSA-N 420.451 -0.119 50 20 HBGD Cn1nnc2c(C(=O)OCC(=O)NNC(=O)[C@H]3COc4ccccc4O3)ccnc21 801497596 CIVUDLZSINTDOG-CYBMUJFWSA-N 412.362 -0.493 50 20 HBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CC[C@@H](B(O)O)C2)c1 864234226 OQRPTCPSDZXVKJ-CQSZACIVSA-N 411.289 -0.478 50 20 HBGD Cn1ncc2c(O)nc(NNC(=O)N[C@@H]3CCN(CCN4CCOCC4)C3)nc21 1319870046 PLYIYKRRJPOLAG-GFCCVEGCSA-N 405.463 -0.899 50 20 HBGD CC[C@H](Br)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](N)CN)C1 1778005551 JWHOSVVTCOCQNK-BCUIYNNISA-N 405.337 -0.040 50 20 HBGD CCC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@@H]21 1784616122 GMNCVGWYHDSBRE-XUXIUFHCSA-N 414.890 -0.075 50 20 HBGD CC(C)O[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1788697376 PIRBXNUQVZFANZ-XIVBQZFQSA-N 418.299 -0.227 50 20 HBGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCS(C)(=O)=O)C[C@@H]21 1791255974 AJFBTNUGRYDDEO-FQUUOJAGSA-N 410.920 -0.345 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)C=CC3=O)C[C@@H]21)C(Cl)Cl 1791298521 XOPDGTUGRMXUBG-DCAQKATOSA-N 404.250 -0.305 50 20 HBGD Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)cc1O 1799468820 BVPTUHRBSBDNLK-XEMDLRDOSA-N 424.262 -0.103 50 20 HBGD CC(C)N1CCC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1801574074 VHIADMQAWJPRAW-CLWJZODNSA-N 423.558 -0.178 50 20 HBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1C=CCN1)CC2 1826085513 XVLYZYGEEXSBJW-AAEUAGOBSA-N 406.512 -0.044 50 20 HBGD O=C(CCc1cn[nH]c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830727033 ZNCWIPDHCHVQJE-WMLDXEAASA-N 400.863 -0.602 50 20 HBGD N=C(N)NCC(=O)N1CCC(N2CCC(NC(=O)CCBr)CC2)CC1 1834421277 ZXIGJOWRMJOJIV-UHFFFAOYSA-N 417.352 -0.174 50 20 HBGD C[C@H](CC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837710094 HRFBTOQMPOZMGO-RDTXWAMCSA-N 415.563 -0.194 50 20 HBGD O=C(c1cc(Cl)ncn1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1838254896 YUSJOPCFFJODFQ-MLGOLLRUSA-N 419.265 -0.200 50 20 HBGD Cn1nc(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)c2c1CCC2 1843773891 NQJKWQKWNNNZPJ-UHFFFAOYSA-N 408.267 -0.281 50 20 HBGD O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)NNC(=O)C(=O)N1CCCC1 748459377 GKDPBWBECRATMG-UHFFFAOYSA-N 423.495 -0.076 50 20 HBGD CS(=O)(=O)N1CCN(CCNC(=O)NNC(=O)Cc2ccc(Cl)cc2)CC1 749352834 JPUXIEVLVNVYND-UHFFFAOYSA-N 417.919 -0.210 50 20 HBGD COC(=O)c1cn([C@@H]2CCN(CC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)C2)nn1 760872012 YIOWQCGUKKAAER-CYBMUJFWSA-N 417.382 -0.319 50 20 HBGD COc1ncnc(N(C)C)c1NC(=O)C(=O)NNC(=O)COc1ccc(F)cc1 763838971 CNYBWNHPDPGNKM-UHFFFAOYSA-N 406.374 -0.145 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 764226376 HXRAKERVANALNJ-ZETCQYMHSA-N 421.357 -0.399 50 20 HBGD COCC(=O)NNC(=O)C(=O)Nc1cccc(CS(=O)(=O)NC(C)(C)C)c1 764303910 SRGDVJIBWOOOSX-UHFFFAOYSA-N 400.457 -0.363 50 20 HBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1 772004619 NDOLSBPSZRYPFA-NSHDSACASA-N 401.441 -0.598 50 20 HBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1ccccc1CN1CCN(C(C)=O)CC1 784916975 FPYHBBQQABUGRZ-UHFFFAOYSA-N 404.471 -0.018 50 20 HBGD CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NNC(=O)Cc1cn2ccccc2n1 787881767 MYKSTCKMXWLEKK-NEPJUHHUSA-N 404.427 -0.337 50 20 HBGD O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)NNC(=O)CN1CCCC1=O 789856805 KLVHWMJEYVHZNI-UHFFFAOYSA-N 414.509 -0.155 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc3ccccc3c(=O)o2)n(C)c1=O 797742478 JKAVAOPMVZGQCM-UHFFFAOYSA-N 424.373 -0.999 50 20 HBGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccc(F)cc1OC1CCOCC1 806980191 KZTBUVYUYSSUHZ-OAHLLOKOSA-N 411.386 -0.115 50 20 HBGD C[C@H](C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 920744861 GDAGEVZIWMLJIN-DDHJBXDOSA-N 400.457 -0.932 50 20 HBGD C[C@@H](NC=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2 1780726672 AQGYOEYUBPWWCT-SPYBWZPUSA-N 411.503 -0.992 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CC[C@]2(CN(C(=O)CN3CC(=O)NC3=O)CCO2)C1 1781223955 GGYNFUZGDVPYEE-CVEARBPZSA-N 421.281 -0.396 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1783936932 XUJRAPOHZHVKQC-INIZCTEOSA-N 419.320 -0.026 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCS3)C2)C1 1784790683 NOZCTLBSJHQTBB-QFBILLFUSA-N 404.297 -0.295 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@]3(C)CCCN3)[C@H]2C1 1789827656 FVBCUDKWSLZHCI-ZKNHNOBHSA-N 409.531 -0.519 50 20 HBGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1)n1ccnn1 1791293992 WHGNAZWDFMQOPV-UGUYLWEFSA-N 421.502 -0.808 50 20 HBGD COc1ccc([C@@H](O)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)cc1 1792975751 WWDMNEGFUSLHBT-QMPXSYISSA-N 412.870 -0.082 50 20 HBGD COC(=O)CSCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCC(=O)NN(C)C)C2 1793590897 CYIGEFURTXIQRO-BTTYYORXSA-N 414.528 -0.096 50 20 HBGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCN(C)CC1 1797238336 OSHOMSSBABUQCU-AYDFFVQHSA-N 417.348 -0.393 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@]1(F)Cl 1801094819 QJOCYHQVPSUQFQ-OAVKVSGMSA-N 404.870 -0.127 50 20 HBGD C[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2)n1cncn1 1802964869 NSCRRKYHMFUYKO-YIYPIFLZSA-N 412.454 -0.210 50 20 HBGD CCCC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830730614 BWMQAEPBVVBJQH-LBTNJELSSA-N 419.906 -0.653 50 20 HBGD C[C@H](CC(N)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1831608302 CNYGZEHJQVZSTJ-IFUGULHKSA-N 424.267 -0.355 50 20 HBGD O=C(O)C#CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1831670383 USUASLSXUUXJLY-SFHVURJKSA-N 412.251 -0.312 50 20 HBGD Cc1nn[nH]c1C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1836300902 OJHWKIQBPIPNII-HNNXBMFYSA-N 416.276 -0.032 50 20 HBGD O=C1CC[C@@H](C(=O)N2CCC(OC3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)N1 1836716645 HHGCQDAGQRQVSQ-GJZGRUSLSA-N 401.891 -0.137 50 20 HBGD O=C(COc1cccnn1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1840409181 BCNASCWRMKUPCU-GDBMZVCRSA-N 402.810 -0.154 50 20 HBGD N[C@H](CC(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1)c1cccnc1 1843013319 GSUUSOKHNWLKOW-GOSISDBHSA-N 408.267 -0.332 50 20 HBGD Cn1nc(C(=O)NNC(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)c2ccccc2c1=O 14044440 NJJLSBQLQVAHMT-UHFFFAOYSA-N 420.385 -0.602 50 20 HBGD O=C(COC(=O)Cn1cc([N+](=O)[O-])cn1)NNC(=O)[C@H]1COc2ccccc2O1 728323965 UOVTXCIOHYUNMI-CYBMUJFWSA-N 405.323 -0.678 50 20 HBGD CN(c1ccc(CNC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)cc1)S(C)(=O)=O 732475857 RWWDAWWXWORAAJ-HNNXBMFYSA-N 404.514 -0.037 50 20 HBGD C[C@]1(C2CC2)NC(=O)N(CC(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)C1=O 744496586 DBZXCEKPJJNMGW-LJQANCHMSA-N 413.390 -0.417 50 20 HBGD C[C@H](C(=O)NNC(=O)COc1ccc(C#N)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 746094950 VXEOABXTGXYDHT-XPJRSKKXSA-N 412.402 -0.365 50 20 HBGD C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NNC(=O)C(=O)N1CCCC1)C2=O 748247150 UZJUWTAAEXBFFT-BUXKBTBVSA-N 407.471 -0.107 50 20 HBGD C[C@]1(NNC(=O)NCCCN2CCN(c3ccncc3)CC2)CCS(=O)(=O)C1 748463525 UVKSTQSOFUHSQA-SFHVURJKSA-N 410.544 -0.025 50 20 HBGD CCOC(=O)c1cccc(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1 749153742 FLHPVCBHPVQYEU-NSHDSACASA-N 405.454 -0.457 50 20 HBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)C[C@@H]2NC(=O)NC2=O)c1 763378929 MTWPXGFQGDKBHD-LBPRGKRZSA-N 411.440 -0.924 50 20 HBGD CNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)Cc2ccsc2)c2ccccc2O1 764025356 QOQNNIBYEYBXIQ-AWEZNQCLSA-N 402.432 -0.022 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)[C@]3(O)CCSC3)cc2)CC1 765873971 KPSBWAHUYDERMA-INIZCTEOSA-N 400.526 -0.066 50 20 HBGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)CCn1cc(S(N)(=O)=O)cn1 767313631 ZYVAYYFVLLGJOL-UHFFFAOYSA-N 423.451 -0.838 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@@H]3CCO[C@H]3C)CC2)cc1 770788886 ZJEBNFQTSFTZMI-DOTOQJQBSA-N 424.523 -0.126 50 20 HBGD CCn1nc(C(=O)NNC(=O)[C@@H](NC(=O)C2CC2)[C@H](C)O)c2ccccc2c1=O 779490896 GQVQYTMGBHGWNU-HZMBPMFUSA-N 401.423 -0.547 50 20 HBGD COC(=O)CNC(=O)NNS(=O)(=O)c1cc(C(=O)O)sc1Br 779844521 KVWDKMUSHCEQMW-UHFFFAOYSA-N 416.231 -0.126 50 20 HBGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)CN1C(=O)NC2(CCCC2)C1=O 794077114 QDEVHGKQJCUPOP-UHFFFAOYSA-N 417.422 -0.075 50 20 HBGD C[C@H]1CN(CCC(=O)NNC(=O)CNC(=O)c2ccc3c(c2)OCO3)C[C@@H](C)O1 912921353 NNCBRHNBMBPRLZ-BETUJISGSA-N 406.439 -0.208 50 20 HBGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 919690152 KTRUZINHAWVTGB-JTQLQIEISA-N 417.397 -0.057 50 20 HBGD CN1CCN(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)CC1 1784090251 VOTFUJOLMUXULX-NXOAAHMSSA-N 416.950 -0.797 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccn(C)n3)[C@H]2C1 1786086066 AFQSPYXGTOQNEB-DZKIICNBSA-N 406.487 -0.614 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nccn3C)[C@H]2C1 1786168339 VZWZVXHIZZTNEM-KKUMJFAQSA-N 406.487 -0.614 50 20 HBGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3nc(N)n[nH]3)C[C@@H]21 1791255411 QOUFMXCTSCLCFH-RVMXOQNASA-N 414.894 -0.447 50 20 HBGD CN[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)Br)C2)C(=O)O 1795647455 OOTLTAQNSWDZKV-ONYIWYLUSA-N 406.277 -0.578 50 20 HBGD COCCn1nccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](Cl)COC)C2 1796587593 DVZVMQAUVZRKKB-HLPPOEQASA-N 414.890 -0.014 50 20 HBGD CN(CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Br)C(=O)C(=O)O 1800161299 BXIKPEPVUJDYLB-DKIAZLNASA-N 408.224 -0.142 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)c[nH]1)C2 1801011858 MAUQQCJSKUYXPB-ZSBFGKGUSA-N 402.455 -0.537 50 20 HBGD NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1825179460 QCZVQDVXRPZVOU-LBPRGKRZSA-N 416.268 -0.686 50 20 HBGD CC(C)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1830359047 KEHDXRUQDRPXMX-SCLBCKFNSA-N 401.891 -0.014 50 20 HBGD CC(=O)N/C(C)=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830736009 PMGUROUSJNTPSV-PDXIQHMZSA-N 403.863 -0.918 50 20 HBGD CCS(=O)(=O)CC(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833306546 VCPAUIHOQSCTDY-OAHLLOKOSA-N 423.963 -0.408 50 20 HBGD CNC(=O)CC(=O)NC1CCN(C2CCN(C(=O)[C@@H](Cl)COC)CC2)CC1 1833440211 SUMWWSYQWLFWBU-HNNXBMFYSA-N 402.923 -0.052 50 20 HBGD Cn1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)n1 1833882813 BCLNFCQTGVPWNR-HZMBPMFUSA-N 420.239 -0.424 50 20 HBGD CC(=O)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834801012 HGHGZNWAKISYOP-UHFFFAOYSA-N 401.272 -0.859 50 20 HBGD CS(=O)(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1840549250 CLGGFDODMOJVLN-OCCSQVGLSA-N 400.856 -0.588 50 20 HBGD C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1840842549 NXSLZMKQCZKXIF-FQEVSTJZSA-N 415.450 -0.832 50 20 HBGD Cc1nnc(CC(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)s1 1844264017 UTDNTZGJUCBHSD-UHFFFAOYSA-N 415.479 -0.095 50 20 HBGD COc1ccc(S(=O)(=O)NCCC(=O)NNc2nnc(C)c(O)n2)cc1OC 23310685 FRGONOCHSXCPEL-UHFFFAOYSA-N 412.428 -0.285 50 20 HBGD CNC(=O)Cn1ccc2ccc(NC(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)cc21 756763197 VMMUUTUGLGMUEU-GFCCVEGCSA-N 407.452 -0.025 50 20 HBGD Cc1n[nH]cc1S(=O)(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765118109 JFCSPSZBFNIHJB-UHFFFAOYSA-N 406.468 -0.514 50 20 HBGD CNS(=O)(=O)c1ccc(CNC(=O)NNc2nc(O)c3cnn(C)c3n2)s1 770341406 MXUULIVTEHISMV-UHFFFAOYSA-N 412.457 -0.135 50 20 HBGD COCCN(C)S(=O)(=O)NN(C)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 788915213 IPMQFJNFFWKANM-UHFFFAOYSA-N 409.509 -0.082 50 20 HBGD CC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)NNC(=O)N2CCN(C)CC2)c1 808034224 SQVGXSIQFIAUBS-UHFFFAOYSA-N 412.472 -0.382 50 20 HBGD CC(C)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H]3NC(=O)NC3=O)C[C@@H]21 1783845683 BPOKWTAUPLZCAI-RVMXOQNASA-N 414.890 -0.171 50 20 HBGD NC(=O)c1nccnc1C(=O)N1CCO[C@]2(CCN(C(=O)C(Cl)Cl)C2)C1 1783947106 ZBIUGWPYAWDORR-HNNXBMFYSA-N 402.238 -0.177 50 20 HBGD C[C@@H](Cn1ccnc1)C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1784507472 VXMZIRGMOUQKEC-OXJNMPFZSA-N 420.514 -0.278 50 20 HBGD CCC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@H]3NC(=O)NC3=O)[C@H]2C1 1785149532 MXOZQHAWJRIFAJ-HPCHECBXSA-N 414.890 -0.028 50 20 HBGD Cn1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)cn1 1786033429 VGASZGPDMQZOOY-WBAXXEDZSA-N 412.255 -0.993 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)N3CCOCC3)C[C@@H]21)C(Cl)Cl 1791298364 SDEMRNMEUPQIOP-ASHKBJFXSA-N 410.298 -0.580 50 20 HBGD CCC[C@@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1792182955 JIOUOYJOXYPBQA-QMHWVQJVSA-N 403.907 -0.129 50 20 HBGD CC[C@@H](NC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCBr 1795112494 HEBJELFECCNNBN-LSCVPOLPSA-N 405.293 -0.192 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1cnc[nH]1)C2 1801012136 HNOMRTKQXSFPKH-OFVIKIJWSA-N 404.471 -0.615 50 20 HBGD C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)C1 1829673960 WOFDCFXDNBGNOI-HXUWFJFHSA-N 408.499 -0.218 50 20 HBGD O=C(c1ccc([N+](=O)[O-])o1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830719703 HYVOKUSWYWQXFR-ZBEGNZNMSA-N 417.802 -0.143 50 20 HBGD CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)CC1 1837456592 KZEUJAHLMGXTQT-FQEVSTJZSA-N 417.466 -0.445 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3c[nH]c(=O)cn3)CCO2)C1 1838643030 XVUBQHHDJBXGTR-YVEFUNNKSA-N 414.846 -0.906 50 20 HBGD COC(=O)c1ccc(F)cc1S(=O)(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 727357131 MBQCDUBPPYHRQS-VIFPVBQESA-N 409.417 -0.708 50 20 HBGD O=C(Cc1cc[nH]n1)NNC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 730102419 BUQHCAGNFMHNNE-CQSZACIVSA-N 407.452 -0.129 50 20 HBGD C[C@H]1C[C@H](NC(=O)NNC(=O)CNC(=O)c2cccs2)C(=O)N1c1cnn(C)c1 743578438 KWTGLEJDAAZMPX-JQWIXIFHSA-N 419.467 -0.264 50 20 HBGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)c2ccc(S(N)(=O)=O)cc2)c1 744554814 PKJZSGQWVJOWRG-UHFFFAOYSA-N 402.388 -0.176 50 20 HBGD COC(=O)c1sc(S(=O)(=O)NNC(=O)[C@@H]2COCCO2)c(C(=O)OC)c1C 745978610 NWYPHIRXFDZSPH-QMMMGPOBSA-N 422.437 -0.645 50 20 HBGD CCCCNC(=O)NNC(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1 746165087 KYYYMVRZPDPQQC-UHFFFAOYSA-N 405.502 -0.207 50 20 HBGD COc1ccc(C(=O)NNC(=O)CN2CCC[C@@H](S(N)(=O)=O)C2)cc1OC 746452414 UPUIGTTYFKSJNV-GFCCVEGCSA-N 400.457 -0.782 50 20 HBGD Cn1ccnc(NNC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)c1=O 747943198 QBPRFZXPAFWTBH-UHFFFAOYSA-N 409.424 -0.637 50 20 HBGD O=C(NCCNS(=O)(=O)Cc1ccon1)NNc1ccc(-n2cccn2)nn1 750662003 VYWIHIUKIPAVGX-UHFFFAOYSA-N 407.416 -0.604 50 20 HBGD COc1ccc(C(=O)NNC(=O)CN2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1OC 762525101 NRSKOGNHNVTHGP-INIZCTEOSA-N 420.466 -0.212 50 20 HBGD CNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)c2cccc(C#N)c2)c2ccccc2O1 764237559 JAJIYNTZYBKWOZ-INIZCTEOSA-N 407.386 -0.141 50 20 HBGD COC(=O)CCCNC(=S)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 764513093 FKYHBCQWRFCIMB-UHFFFAOYSA-N 421.523 -0.107 50 20 HBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F 772012362 KAHUEKNYIVQYIP-WHOFXGATSA-N 409.414 -0.181 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1 798108524 AROXVTQOYTVISW-TZMCWYRMSA-N 412.468 -0.127 50 20 HBGD CC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 802762870 OQYZFRFIYCVFOL-GOSISDBHSA-N 415.494 -0.007 50 20 HBGD COc1cc(C(=O)NNC(=O)CCN2C(=O)CCNC2=S)cc(OC)c1OC 816814554 VDILLGYNGOIEBF-UHFFFAOYSA-N 410.452 -0.030 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NNC(=O)CN2CCCC2=O)s1 920435943 QGQCVNQRCXXBMQ-GFCCVEGCSA-N 414.509 -0.021 50 20 HBGD CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NNC(=O)C1CCC1 1318434742 SMGORVZZEMVKSR-AWEZNQCLSA-N 417.509 -0.284 50 20 HBGD COCCCNC(=S)N(C)NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 1337038283 ATVAOEOPBQYFPU-LLVKDONJSA-N 419.529 -0.974 50 20 HBGD O=C([C@H](O)CCl)N1CCO[C@]2(CCN(C(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1781050607 JRBSBXFHUUOCPE-GPINWOSQSA-N 413.902 -0.183 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)c1ccccc1)CCO2 1783933721 FNSBLBIJFOTIJU-TZIWHRDSSA-N 418.494 -0.077 50 20 HBGD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)no1 1786979446 JYKYTLLQXIRSRN-ZVZYQTTQSA-N 413.239 -0.430 50 20 HBGD C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1793822424 WRPUIZTVRXTEIO-FVCICTRLSA-N 419.507 -0.193 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(F)c[nH]1)C2)c1cccc(B(O)O)c1 1795740625 DXZIVXVMQOYCBF-FVCICTRLSA-N 401.203 -0.649 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCCC2(CCN(C(=O)[C@@H](O)CCl)CC2)C1 1809967398 GBTXUMRLALVCLC-INIZCTEOSA-N 408.691 -0.189 50 20 HBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@H](O)CCl)[nH]n1)c1cccc(B(O)O)c1 1817473796 AFRDJBQXKZYZPO-LSDHHAIUSA-N 420.662 -0.005 50 20 HBGD Nc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cs1 1835789542 MNLGOQAVLYIZPN-IAQYHMDHSA-N 404.876 -0.605 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc[nH]1)CCO2 1837784337 FUWWJXROULUGQB-HXUWFJFHSA-N 413.239 -0.922 50 20 HBGD C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)C1 1840183116 RTYPJGOWNBLTIZ-FQEVSTJZSA-N 408.499 -0.218 50 20 HBGD COCCn1cnc2c1c(=O)n(CC(=O)NNC(C)=O)c(=O)n2Cc1ccccc1 36329672 HWURLQWWGDUWLA-UHFFFAOYSA-N 414.422 -0.778 50 20 HBGD O=C(COC(=O)C1(C(=O)NC2CC2)CC1)NNC(=O)[C@@H]1COc2ccccc2O1 729716647 VCPHJHMLRAMBTQ-AWEZNQCLSA-N 403.391 -0.424 50 20 HBGD COc1cc(OC)cc(C(=O)NNC(=O)NCCC(=O)N2CCN(C(C)=O)CC2)c1 730826727 QMASSMSRFDUDPO-UHFFFAOYSA-N 421.454 -0.271 50 20 HBGD CN1CC(=O)N(CCCC(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)C1=O 742289361 VPVBGTBWYPRFLC-UHFFFAOYSA-N 421.366 -0.427 50 20 HBGD CN(C)CCN1C[C@@H](C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CC1=O 746218948 OBCMDTORFQLYBW-HNNXBMFYSA-N 403.487 -0.750 50 20 HBGD Cn1cc(N2CCN(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)CC2)cn1 747490755 BYABYFHGPYTRDU-UHFFFAOYSA-N 420.499 -0.110 50 20 HBGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2ccccc2OCC(N)=O)n1 763998248 ZUCIYVJCBUDGKP-UHFFFAOYSA-N 406.420 -0.137 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)cc1S(N)(=O)=O 764170128 ZDLDPTOVYZSJKJ-AWEZNQCLSA-N 418.431 -0.268 50 20 HBGD Cc1nc(-c2cccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c2)oc1C 764228206 VWLFTUBFZAPZGX-SNVBAGLBSA-N 423.451 -0.018 50 20 HBGD COCCCOc1cccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 764234421 XYIDMUONWCBPGJ-LLVKDONJSA-N 416.456 -0.875 50 20 HBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CN1C(=O)N[C@@](C)(c2ccccc2OC)C1=O 772208853 XZRQXNUZHDFNFC-WYRIXSBYSA-N 420.422 -0.049 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1 784390717 BIKPKQCNPQNMLN-UONOGXRCSA-N 404.423 -0.402 50 20 HBGD CCCn1nc(C(=O)NNC(=O)C2=C(C)N(C)c3nnnn3C2)c2ccccc2c1=O 798272939 KUMYGSDDIJAKPP-UHFFFAOYSA-N 423.437 -0.022 50 20 HBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CNS(=O)(=O)c1cccc(F)c1 810944177 OBOJPYKVUHQXAH-UHFFFAOYSA-N 404.420 -0.224 50 20 HBGD CC[C@H](C)NC(=O)CN1CCN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1 913054312 GYCWJZBRHMAWBY-AWEZNQCLSA-N 420.470 -0.112 50 20 HBGD CC(=NNC(=O)CN1CCCC1=O)c1ccc(S(=O)(=O)N2CCNCC2)cc1 916357949 UGEGFDNUBZJFFV-UHFFFAOYSA-N 407.496 -0.257 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)C1CCC(O)CC1)CCO2 1783937676 NBKDKJXYCCXOQA-ALLBUHFWSA-N 410.515 -0.260 50 20 HBGD CCC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@@H]21 1784616381 SFTKVQJQSSLEKY-PEDHHIEDSA-N 414.890 -0.028 50 20 HBGD Cc1cc[nH]c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1785665878 VRTLRJGHQUFANH-SZMVWBNQSA-N 411.267 -0.090 50 20 HBGD Cc1cncc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)c1 1786103230 LUZFFKIBBNUEFC-VDGAXYAQSA-N 423.278 -0.023 50 20 HBGD COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792982873 ULWTXTUUEVHTSS-JXEZDRHFSA-N 414.886 -0.069 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC1CCOCC1)C2)c1cccc(B(O)O)c1 1795737597 ZTKUJCIGJOLMSK-XEMDLRDOSA-N 416.283 -0.614 50 20 HBGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cnnn1 1795854332 VFOPEQRDALKDIF-HNCHTBHHSA-N 401.265 -0.706 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797743253 YYFDKGYOMRBXAU-ADCDIQAYSA-N 422.530 -0.579 50 20 HBGD C=CC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Br 1799350055 QNTFRESFJXYEPQ-QTCIEIIFSA-N 406.252 -0.043 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC1(O)CCC1 1801583720 ILNOQVUHTPKKKR-FVCICTRLSA-N 417.466 -0.807 50 20 HBGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1ccncc1=O)C2 1802338673 YVEPJWBLJANUBC-QDMKHBRRSA-N 404.471 -0.746 50 20 HBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCn1cncn1 1802803116 OYAYPHAUOJYJOE-BTTYYORXSA-N 412.454 -0.381 50 20 HBGD C[C@H](NC=O)C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1808359622 DJQYIYAVNJVHTO-YJLNNSPDSA-N 424.266 -0.785 50 20 HBGD C[C@H](NC=O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1820875011 FCGMDBPEDWRAGQ-BLLLJJGKSA-N 413.243 -0.470 50 20 HBGD O=C(c1cc2cccnn2n1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830730721 CGYVRXFBFMXZNL-QAPCUYQASA-N 423.857 -0.601 50 20 HBGD O=C(c1cc2cn[nH]c2cn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731608 MVZNVSQCVKHSKA-MAUKXSAKSA-N 423.857 -0.372 50 20 HBGD CCc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)no1 1830732048 PTTOIMZHBIFLJM-WMLDXEAASA-N 401.847 -0.093 50 20 HBGD O=C(NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)c1ccnnc1O 1836060811 YXDFCBUYPFBFIR-HNNXBMFYSA-N 411.890 -0.033 50 20 HBGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cnnn3)CCO2)C1 1836142301 XIQVJJYDYXHBCS-XJKSGUPXSA-N 400.867 -0.463 50 20 HBGD C/C=C(/C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839823675 COIVEBOVEQXMFJ-IBPVBLNFSA-N 402.256 -0.597 50 20 HBGD O=C(CN1CCOC1=O)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840186855 QJKJPPZKKYRMOK-HNNXBMFYSA-N 410.254 -0.301 50 20 HBGD C[C@@H](Cn1cncn1)C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844264579 JOODKHPMPODONS-ZDUSSCGKSA-N 412.454 -0.570 50 20 HBGD CCOCC(=O)NNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 732915072 YUILIKFVALTNIC-AWEZNQCLSA-N 407.475 -0.351 50 20 HBGD CC(=O)N[C@@H](CC(=O)NNC(=O)COc1ccc(Br)cc1)C(N)=O 746094759 QRQLRKNTMCVIDN-NSHDSACASA-N 401.217 -0.645 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O 758041163 WSXHCYLTXWRQII-CABZTGNLSA-N 402.860 -0.222 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CCCNC(=O)c1ccc(F)cc1F 758045915 QLKSDKOROSBGKB-SECBINFHSA-N 406.411 -0.440 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)/C=C/c2ccc(Cl)nc2)n(C)c1=O 759607624 LAYIKCVAVQVKDU-GQCTYLIASA-N 417.813 -0.657 50 20 HBGD CCn1c(=O)c(=O)[nH]c2cc(C(=O)NNC(=O)CNC(=O)c3cccnc3)ccc21 763819241 VXFIWXIKXLFEBC-UHFFFAOYSA-N 410.390 -0.704 50 20 HBGD CNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)c2ccccc2O1 764153947 NJFMCJXYRLZRCF-IRXDYDNUSA-N 424.413 -0.322 50 20 HBGD CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764227667 PTZPJWFGBANMDS-SNVBAGLBSA-N 411.440 -0.631 50 20 HBGD O=C(CNC(=O)c1ccc2c(c1)OCO2)NNC(=O)c1ccc(-n2cnnn2)cc1 913155942 IFDHXQSOCKYWDM-UHFFFAOYSA-N 409.362 -0.418 50 20 HBGD NC(=O)CSCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 915261842 ZWENDIWCPLLGEM-UHFFFAOYSA-N 414.509 -0.159 50 20 HBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CNC1=O)C2)[C@H](F)Cl 1778022352 MKGPAQPYEREEQL-AKWBHNSASA-N 404.826 -0.414 50 20 HBGD CC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3cc(=O)n4[nH]cnc4n3)CCO2)C1 1781213585 RBMDDUAEBCHJDY-PIGZYNQJSA-N 408.846 -0.122 50 20 HBGD COCc1oncc1C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783935075 OPABEGJXNZCKRJ-IBGZPJMESA-N 423.470 -0.363 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(=O)cco1)CCO2 1783936968 YVXWLDOTIBYKOC-LJQANCHMSA-N 406.439 -0.544 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(n1)OCCO3)C2)[C@H](O)CCl 1792978221 LCJUPWPRCNCTEF-NDPMZMCLSA-N 411.842 -0.344 50 20 HBGD O=C1NCCCn2nc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)[C@H](O)CCl)C4)cc21 1797966196 COSOHJPXHXVRSR-NWJSVONSSA-N 409.874 -0.132 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2ncnn2c1)c1cccc(B(O)O)c1 1798233643 KZUMCWMQAFERSD-BCDXTJNWSA-N 419.250 -0.025 50 20 HBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nccnc1C(N)=O 1798357943 VDLYHMPEYRUQLQ-USZNOCQGSA-N 411.846 -0.968 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1cnccn1 1801452378 WPPLOFDAVTZKHV-FAKDNFGVSA-N 416.482 -0.548 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)C(=O)N(C)C)[C@H]1c1cccnc1 1806949385 WTCFUZVVEJIXSA-MAUKXSAKSA-N 418.498 -0.451 50 20 HBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN(CCO)CCO)[nH]n1)[C@@H](O)CCl 1814875004 LPMRJHUUJXKRKC-KGLIPLIRSA-N 417.894 -0.712 50 20 HBGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]n3)C2)C1 1830538266 AFEYZXYZKZXEFO-XHDPSFHLSA-N 416.276 -0.094 50 20 HBGD O=C([C@H](O)Cc1ccccc1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014895 NCKOAIODJWQOPZ-LJQANCHMSA-N 408.263 -0.213 50 20 HBGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2ccc(NCC(N)=O)cc2)n1 728728777 BWEJIBHNTFQURW-UHFFFAOYSA-N 405.436 -0.104 50 20 HBGD CCC(CC)NC(=O)C(=O)NNC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 740852579 DEOJHDRLFZAZOP-AWEZNQCLSA-N 406.418 -0.302 50 20 HBGD COCCS(=O)(=O)c1ccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1 756557009 ZHHXJGUXCDDXAE-SNVBAGLBSA-N 422.485 -0.803 50 20 HBGD COc1ccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1N1CCOC1=O 756820878 ZWKDJLOWKHSGMH-VIFPVBQESA-N 415.428 -0.258 50 20 HBGD O=C(CNC(=O)c1cccnc1)NNC(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1 763814316 NTULKCSAWNKBRG-INIZCTEOSA-N 410.434 -0.094 50 20 HBGD Cc1ccnn1-c1ccccc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764226223 GJUCLEGNEBCNLL-LLVKDONJSA-N 408.440 -0.796 50 20 HBGD C[C@@H](NC(=S)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1 764515976 QWAIRISKJVBYAJ-LLVKDONJSA-N 415.479 -0.310 50 20 HBGD Cc1cc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)ccc1[N+](=O)[O-] 765729699 YNAAYKOGPAEGFV-UHFFFAOYSA-N 415.366 -0.888 50 20 HBGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNC(=O)Cc2ccncc2)[C@@H](C)O)cc1 779530105 HMHUOGDGFUCZES-CXAGYDPISA-N 406.464 -0.192 50 20 HBGD CC(=O)c1cc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)ccc1C 789984492 RZUNHQUAKYKKRM-UHFFFAOYSA-N 412.406 -0.594 50 20 HBGD CC(=O)N1CCN(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](F)Cl)CCO3)CC1 1778355654 PEBVMKCBABZNPE-WBVHZDCISA-N 404.870 -0.485 50 20 HBGD COc1ccnc(C(=O)N2CC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1 1779539742 GDWIZWATRNNIMT-HXUWFJFHSA-N 419.482 -0.093 50 20 HBGD Cc1c(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cn2[nH]cnc(=O)c12 1780015849 DWGOYUDUVMOQFD-SCLBCKFNSA-N 423.857 -0.626 50 20 HBGD O=C(CCN1CCCC1)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1785671166 MQTLKYOPZHQTEG-NRFANRHFSA-N 415.299 -0.704 50 20 HBGD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)n(C)n1 1786029028 BIMATYKMHDZLOF-ZOBUZTSGSA-N 420.514 -0.305 50 20 HBGD CC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786981919 POJAIRRITCEJED-HJWJTTGWSA-N 408.691 -0.023 50 20 HBGD CCc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)n[nH]1 1791289229 OVPRBCHWZNNKNU-QRTARXTBSA-N 420.514 -0.062 50 20 HBGD Cc1nccnc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791291335 SNUXXYXJEWHQKP-JYJNAYRXSA-N 418.498 -0.249 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(C)C(=O)CC1 1794040546 FUWKQIUZQNNBCQ-BTTYYORXSA-N 406.487 -0.394 50 20 HBGD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)cnc1C 1795737327 SKLKSJJGQRJPFL-OPVJXMOQSA-N 423.278 -0.105 50 20 HBGD CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1799393159 BUHVDBYJNPILAV-NYCLONFESA-N 417.271 -0.630 50 20 HBGD C[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCC(=O)NN(C)C)C2)N1CCN(C)CC1 1799969526 DLTXUVCJLGCFAY-ZJPYXAASSA-N 422.574 -0.367 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCCS1(=O)=O)c1cccc(B(O)O)c1 1801515106 NORUKKBKDWFXHJ-YVSFHVDLSA-N 420.296 -0.805 50 20 HBGD C[C@@H](NC=O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1820874341 BFNWHIDHHMFJPQ-WBMJQRKESA-N 413.243 -0.470 50 20 HBGD O=C(CC1CCOCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830724225 WULCVKKHFDINBR-YJBOKZPZSA-N 404.891 -0.141 50 20 HBGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(N)=O)C2)C1 1839966491 HBJPFYVASFBMJY-MLGOLLRUSA-N 420.304 -0.118 50 20 HBGD O=C1C[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C(Cl)Cl)CCO3)C2)CCN1 1840190856 QLKBUZMBPHNLGL-BZNIZROVSA-N 408.282 -0.227 50 20 HBGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CN(C)C3)CCO2)C1 1840572302 RKBXTULHFPAWPE-WBMJQRKESA-N 404.305 -0.212 50 20 HBGD CC(C)(C)OC(=O)N[C@@H](CCl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CNC(=N)N 1848099688 SCWPMYIPNFMBFR-SRVKXCTJSA-N 416.910 -0.197 50 20 HBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cccc(S(=O)(=O)NC2CC2)c1 9930988 YVDUDUQLZSUIMK-LLVKDONJSA-N 401.466 -0.677 50 20 HBGD COC(=O)CCCNC(=S)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 18139291 APAAFQLFCZAVNK-UHFFFAOYSA-N 402.498 -0.001 50 20 HBGD Cc1ccc(S(=O)(=O)NCCNC(=O)NNC(=O)C(=O)Nc2ccccn2)cc1 758686739 OMGLZXMVGVFBBL-UHFFFAOYSA-N 420.451 -0.363 50 20 HBGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)n1 763885433 LVZILZMJNITSKS-UHFFFAOYSA-N 422.467 -0.464 50 20 HBGD CC(C)Oc1c(F)cc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1F 764230335 HGJMCLXSJHDOPQ-MRVPVSSYSA-N 422.410 -0.224 50 20 HBGD CCCNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)c2cnn(C)c2)c2ccccc2O1 764358934 KNDQYIBWSSSKFX-OAHLLOKOSA-N 414.422 -0.499 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)/C=C/Sc2ccccc2)n(C)c1=O 765731413 RJJXKTUQEFQGGK-CMDGGOBGSA-N 414.447 -0.113 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cnc(-c3ccccc3)[nH]2)n(C)c1=O 766642342 FHUSKTTWTSXIFS-UHFFFAOYSA-N 422.405 -0.715 50 20 HBGD Cc1oc2ccccc2c1CC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 767248876 OZQNQDSJEOBDSZ-UHFFFAOYSA-N 424.417 -0.122 50 20 HBGD Cc1oc(S(N)(=O)=O)cc1C(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772195698 FAGBAOAJHJMRGL-UHFFFAOYSA-N 414.827 -0.034 50 20 HBGD O=C(Cc1cc[nH]n1)NNC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 776061171 FPRXSRJDYUPUGZ-UHFFFAOYSA-N 409.428 -0.779 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1csc(-c2ccccc2)n1 806978135 OGRFJXPHZIMAIW-SECBINFHSA-N 411.465 -0.166 50 20 HBGD CCOCC(=O)NNC(=O)C(=O)Nc1nnn(CCOc2ccc(F)cc2)c1C 815569733 FRTFEPGQSOMFHO-UHFFFAOYSA-N 408.390 -0.073 50 20 HBGD NC(=O)[C@@H]1CC(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)=NN1c1ccccc1 913082664 ZBVVZSOWLOORRB-INIZCTEOSA-N 419.405 -0.457 50 20 HBGD COCCO[C@H]1COCC[C@H]1NC(=O)NNC(=O)C1CCN(c2ncccn2)CC1 1116663027 SVIREFOXVPESIO-CVEARBPZSA-N 422.486 -0.156 50 20 HBGD CN(C)N(C(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1)[C@H]1CCS(=O)(=O)C1 1322639217 UKYSLDVKGHGUOV-LBPRGKRZSA-N 421.497 -0.594 50 20 HBGD CC(C)(C)OCC(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779029297 VORVWXYYWIBAOZ-HXUWFJFHSA-N 419.482 -0.056 50 20 HBGD O=C(c1cnc2c(c1)CCNCC2)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1782725753 JEMSXGFHTFTDMK-FXAWDEMLSA-N 422.913 -0.187 50 20 HBGD Cc1cnn([C@H](C)C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1 1783937073 FOFQSSKIDUXRNY-OXQOHEQNSA-N 420.514 -0.045 50 20 HBGD C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)n1cccc1 1784329587 MEXVJOALVCEROR-HRAATJIYSA-N 411.267 -0.127 50 20 HBGD N#CC1(C(=O)N2CC[C@@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)CCC1 1785366973 TVKSQAXEZDPCOJ-HXUWFJFHSA-N 412.450 -0.178 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccnc(F)c1 1793551580 XTRZZGVQIMRWCV-JLVBRIDZSA-N 413.214 -0.583 50 20 HBGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1 1795387157 QJCGMMQDDPTGQK-YGEZULPYSA-N 402.289 -0.114 50 20 HBGD Cc1ncncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1798200095 MNWZSUGMJSPKDZ-ZSBFGKGUSA-N 404.471 -0.639 50 20 HBGD CN(C)CC(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807363017 LLKPEOSBXPWFRN-PXNSSMCTSA-N 410.283 -0.357 50 20 HBGD C[C@H](NC=O)C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1808359617 DJQYIYAVNJVHTO-POZUXBRTSA-N 424.266 -0.785 50 20 HBGD O=C(CN1C(=O)CNC1=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](O)CCl)[nH]n1 1815595815 ZQFTWIONKIKWAC-QWRGUYRKSA-N 412.834 -0.447 50 20 HBGD N=C(N)NCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827050765 FQGJNXDPHKNHIH-QGZVFWFLSA-N 415.303 -0.917 50 20 HBGD Cn1c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Cl)C3)C2)cccc1=O 1833872166 UDYROHAZKYEIAF-WMLDXEAASA-N 401.822 -0.010 50 20 HBGD O=C(NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1)c1c[nH]c(=O)cn1 1836138799 UBDIDQJWJVVHCN-OAHLLOKOSA-N 411.890 -0.445 50 20 HBGD CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](Cl)COC)CCO2)C1 1840149407 OFMZPBXABASTPZ-RKVPGOIHSA-N 419.906 -0.389 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCSC)C2)C1 1840155710 GXQJHGAWTUSSQK-JJRVBVJISA-N 424.947 -0.189 50 20 HBGD O=C(c1nccc2nc[nH]c12)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013804 PMWPQDDXKRLNSH-UHFFFAOYSA-N 405.223 -0.232 50 20 HBGD CC(=O)NCC(C)(C)C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844263511 LWACWGWVJBJHLZ-UHFFFAOYSA-N 416.482 -0.336 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)[C@@H](N)Cc1cccnc1)C2 1846384758 FGTPRDIVGJISKC-INIZCTEOSA-N 402.499 -0.472 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)NNC(=O)c1ccc2c(c1)OCCO2 725871264 IXFJNSLALPDMNR-UHFFFAOYSA-N 403.351 -0.544 50 20 HBGD Cc1nc(S(=O)(=O)NCC(=O)NNC(=O)NCCc2cccs2)cn1C 726770616 ZXFKNJVPFJYXQP-UHFFFAOYSA-N 400.486 -0.359 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CCC(=O)N1CCC(c2ccccc2)=N1 729275001 JGKFDGIUJLTRMU-LBPRGKRZSA-N 409.468 -0.512 50 20 HBGD CN1CCN([C@@H](C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c2ccccc2)CC1 732062981 ZBMALFLOSMPXJR-HZPDHXFCSA-N 409.512 -0.507 50 20 HBGD O=C(CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NNC(=O)c1cc(Br)c[nH]1 742489344 QWIDQENCWIPYPC-CNVPUSNMSA-N 411.212 -0.299 50 20 HBGD Cn1nc(SCC(=O)NN=C2CCOc3cc4c(cc32)OCO4)c(=O)n(C)c1=O 745591862 JWKYXBNXCNCQJK-UHFFFAOYSA-N 419.419 -0.397 50 20 HBGD C[C@@]1(c2ccc(C(=O)NNC(=O)CNC(=O)c3cccs3)cc2)NC(=O)NC1=O 748534442 GRSGVVOYNFJHGB-SFHVURJKSA-N 415.431 -0.006 50 20 HBGD COCCS(=O)(=O)c1ccc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 756554254 OMEPZNARUYXWGZ-NSHDSACASA-N 419.481 -0.306 50 20 HBGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cccc(OCC(N)=O)c1 763664200 SMXJIMRWPKGLMJ-UHFFFAOYSA-N 416.390 -0.276 50 20 HBGD CN(C)CCOc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)cc1Cl 764436063 ZGYSYNVVMBYFGY-CQSZACIVSA-N 414.846 -0.218 50 20 HBGD Cc1cc(C(=O)NNC(=O)C2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)n[nH]1 765582785 GHQOQSPRIZMNKY-UHFFFAOYSA-N 409.472 -0.378 50 20 HBGD O=C(CO)NNC(=O)c1ccc(NC(=O)C[C@@H]2SC(N3CCCC3)=NC2=O)cc1 777781876 PUHWDBRYWCRKAE-ZDUSSCGKSA-N 419.463 -0.138 50 20 HBGD CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)[C@H]1COc2ccccc2O1 786415088 WKAVPPWYYYYTHA-CYBMUJFWSA-N 417.378 -0.477 50 20 HBGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(Br)nc1OC 789585844 IQOCDTXKHHZRSE-MRVPVSSYSA-N 419.232 -0.010 50 20 HBGD CS(=O)(=O)NC1CC(NC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)C1 801068730 FHPFGQGGEBSUKE-UHFFFAOYSA-N 404.470 -0.886 50 20 HBGD CC(C)OCCS(=O)(=O)NCC(=O)NNC(=O)Nc1ccc2c(c1)OCO2 802099777 CEEAFXIBZKKAAK-UHFFFAOYSA-N 402.429 -0.088 50 20 HBGD C[Si](C)(C)OCC(=O)N1CC[C@]2(C1)CN(C(=O)CN1C(=O)C=CC1=O)CCO2 1779300933 APQGZONKSYZUPX-SFHVURJKSA-N 409.515 -0.407 50 20 HBGD CN(CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2)C(=O)C(=O)O 1782749384 DHXUATOCWQMORS-HZPDHXFCSA-N 424.281 -0.404 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)CS(C)(=O)=O)CCO2 1783871485 RXIHSALTGWXQBK-HEHGZKQESA-N 410.920 -0.249 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccncc3)C[C@@H]21 1791290602 ABXSWVJXNTUEKK-BZSNNMDCSA-N 417.510 -0.023 50 20 HBGD O=C(CN1C(=O)CNC1=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCBr 1795491073 LGAKCFLYRRPKSM-JGPRNRPPSA-N 401.261 -0.039 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1cc2n(n1)CCCO2 1796189121 YKOQGRJRFRGKDF-BJWYYQGGSA-N 424.266 -0.089 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CCOC1=O)C2 1798439526 FSAJUFFBKAVDAG-CLLJXQQHSA-N 416.438 -0.611 50 20 HBGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCCC1=O)C2 1800756050 DSXNCCHJZCSRIR-OHTBPHCPSA-N 402.289 -0.018 50 20 HBGD CC[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1803000171 IMJQKLWZWPTHEH-WDSOQIARSA-N 411.267 -0.148 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)COCCO)[C@@H]1c1cccnc1 1808627332 DMSIOKIMAXBLTB-UZLBHIALSA-N 421.498 -0.531 50 20 HBGD C[C@H](NC=O)C(=O)N1CC[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813074660 ZFWTXFYAOYWQKU-URLQWDBASA-N 418.498 -0.405 50 20 HBGD CNC(=O)CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1824437489 YHDJSKOABSMZTA-SFHVURJKSA-N 415.299 -0.264 50 20 HBGD Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)nn1C 1830725931 SQVRLVWPNWKSFY-RHSMWYFYSA-N 400.863 -0.602 50 20 HBGD O=C(CCN1C(=O)C=CC1=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1832020361 JPIZESJSPMXPNV-WBVHZDCISA-N 417.821 -0.708 50 20 HBGD C[C@@H]1C[C@@]1(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939582 UGWXQCHLLDPVAI-IPHXSNPTSA-N 416.283 -0.518 50 20 HBGD O=C1CC[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)[C@@H](F)Br)CCO3)C2)N1 1839199294 LWKDVFZZFTXQIZ-NVBFEUDRSA-N 422.251 -0.588 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840030803 WXHHCLWXHSNCEY-MJVIPROJSA-N 413.696 -0.174 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840816532 ZENQBBAXYHLOEV-FQEVSTJZSA-N 421.498 -0.490 50 20 HBGD COc1ccc([C@]2(C)NC(=O)N(CC(=O)NNC(=O)CN3CCCC3=O)C2=O)cc1 726716705 FHRKXVDUDCARSN-IBGZPJMESA-N 417.422 -0.768 50 20 HBGD C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)c3cnn[nH]3)cc2)C[C@@H](C)O1 729455641 PWFCITHIIMDQGM-GHMZBOCLSA-N 408.440 -0.323 50 20 HBGD N#Cc1ccc(OCC(=O)NNC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 742470792 KCDBCZDYKWFHSF-DTDBQYNISA-N 412.402 -0.363 50 20 HBGD C[C@H](NC(=O)NNC(=O)C(=O)N1CCCC1)c1ccc(S(=O)(=O)N(C)C)cc1 748458516 BEERJWDJYCBGEY-LBPRGKRZSA-N 411.484 -0.049 50 20 HBGD COc1cc(OC)cc(N2C[C@@H](C(=O)NNC(=O)C(=O)N3CCCC3)CC2=O)c1 752520522 UFKIUOVPWQOHMF-LBPRGKRZSA-N 404.423 -0.174 50 20 HBGD COC(=O)CCCc1nnc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)s1 756686002 QCDRLBPZDKTFQM-QMMMGPOBSA-N 405.458 -0.379 50 20 HBGD Cc1ccccc1-n1nccc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764227782 RQQRKTDAUJKBJI-LLVKDONJSA-N 408.440 -0.796 50 20 HBGD CN1CCN([C@H](C(=O)NNC(=O)CNC(=O)c2cccnc2)c2ccccc2)CC1 764343677 QGGNXYYTJAOKOA-IBGZPJMESA-N 410.478 -0.053 50 20 HBGD CC(C)(C)OC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)cn1 764423889 DHMGPGMXJXRJDD-NSHDSACASA-N 409.399 -0.070 50 20 HBGD COc1ccc(Br)c(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)c1 764424327 IHJYBNXCWNUKPY-NSHDSACASA-N 402.201 -0.041 50 20 HBGD CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)NNC(=O)CNC(=O)OC(C)(C)C)C1=O 778687319 BYZWQRPRPMDTEP-QGHHPUGFSA-N 412.447 -0.438 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 788300730 AYFCSEISYBDESR-ZETCQYMHSA-N 412.877 -0.166 50 20 HBGD CN(C)N(C(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)[C@H]1CCS(=O)(=O)C1 792855454 RYBCYTPMQJNSPP-BLLLJJGKSA-N 416.500 -0.906 50 20 HBGD CO[C@@H](C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)c1cnn(C)c1 798775027 SUFFAJHAYGHGPI-GOEBONIOSA-N 404.379 -0.362 50 20 HBGD O=C(N=c1cc[nH]cc1)NNC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 802024454 FMIJGAKKXFETNL-RBSFLKMASA-N 423.495 -0.234 50 20 HBGD C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 806458497 JZRBQYCNJWVHRI-GHMZBOCLSA-N 414.465 -0.040 50 20 HBGD COC(=O)C(=O)NNC(=O)NCCCC(=O)N1CCc2cc(OC)c(OC)cc2C1 1330490554 TVIJZFUKTZACEO-UHFFFAOYSA-N 422.438 -0.128 50 20 HBGD C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783934539 IRWYUCQQOLANQS-FOIQADDNSA-N 410.515 -0.238 50 20 HBGD N=C1NCCN1CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1786843795 QSYULAXCNZKEOB-MRBYEJRBSA-N 420.283 -0.503 50 20 HBGD Cn1nccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786979383 CESMNRKMQBGWAL-ZVZYQTTQSA-N 412.255 -0.993 50 20 HBGD CC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1789859934 FRJWUSMMLZGLFV-LLLHUVSDSA-N 408.691 -0.023 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnsn3)C[C@@H]21 1791288611 LQDVNNTZFNMQIQ-OBJOEFQTSA-N 410.500 -0.496 50 20 HBGD Cc1cccnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1793530045 DNIIOUDTGTVIII-ZSBFGKGUSA-N 424.461 -0.094 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc[nH]1)C2)c1cccc(B(O)O)c1 1795739037 RJFJBKLEMMMCNB-CWPLJXCYSA-N 411.267 -0.470 50 20 HBGD CN1N=C(C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)CCC1=O 1841864799 UCFVAERDQRHYEN-UHFFFAOYSA-N 413.438 -0.890 50 20 HBGD C[C@H](C(=O)N1CC2(CCCN2C(=O)CCC(=O)NN(C)C)C1)[C@@H]1SC(=N)NC1=O 1846384822 NMBPVDZVXSKOPS-FZMZJTMJSA-N 424.527 -0.635 50 20 HBGD C[C@@H](CBr)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1C(=O)CNC1=O 1847494304 OKBWHAYKRHYTGU-DCAQKATOSA-N 401.261 -0.229 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)NCCCn1nc2n(c1=O)CCCC2 725872128 VANSWPLGFXSBKB-UHFFFAOYSA-N 405.415 -0.875 50 20 HBGD COc1ccccc1NCC(=O)NNC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 743293735 JJGDNZVLKPNFPD-DTTOXWODSA-N 416.434 -0.193 50 20 HBGD NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)NNC(=O)CNC(=O)c2ccco2)c1 752298510 YQABZAYPJVOWLT-UHFFFAOYSA-N 418.790 -0.090 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NN=Cc3cn(C)nn3)CC2)cc1 755786655 BITVZMYYZYGHLS-UHFFFAOYSA-N 405.484 -0.420 50 20 HBGD Cc1sc2ncn(CC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c(=O)c2c1C 758041062 VMXKOOIEVYLPDJ-MRVPVSSYSA-N 401.470 -0.840 50 20 HBGD N#Cc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cccnc1N1CCOCC1 763806895 HRFMDQRJLDQBKS-UHFFFAOYSA-N 424.417 -0.045 50 20 HBGD CNC(=O)c1cc(Oc2ccccc2NC(=O)C(=O)NNC(=O)COC)ccn1 764303876 QMEPTSKPTRQMCF-UHFFFAOYSA-N 401.379 -0.034 50 20 HBGD O=C(NNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)Nc1ccc2c(c1)OCO2 802107303 PRBHLCRFEDTJDE-ZDUSSCGKSA-N 419.438 -0.251 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cc(Cl)cc2c1OCC(=O)N2 806755410 POKHYSWZUMCEEM-ZCFIWIBFSA-N 405.820 -0.239 50 20 HBGD Cc1ccc(CN2C[C@H](C(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2=O)cc1 919886902 XGSVUZCLMHXSOW-HUUCEWRRSA-N 408.480 -0.139 50 20 HBGD COc1cc(OCC(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-] 921030230 LWOVWXNENWNRSW-VIFPVBQESA-N 402.385 -0.500 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCOC1)CCO2 1779034156 OJRHLPXNIRGJQD-YJYMSZOUSA-N 403.439 -0.835 50 20 HBGD CC[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)Cn3cnnn3)CCO2)C1 1783342308 KNEOCNRAMLZJQY-FZMZJTMJSA-N 401.265 -0.324 50 20 HBGD CC(=O)NC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783933107 CIFSFOQULMRIKR-LJQANCHMSA-N 411.503 -0.896 50 20 HBGD COCCn1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)n1 1784091304 ZQBAQLORXDFUBC-UGQVUOCMSA-N 414.890 -0.278 50 20 HBGD C[C@@]1(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)CC1(F)F 1785392729 NJLBMYZYGAHTNI-ZWKOTPCHSA-N 408.210 -0.145 50 20 HBGD CC[C@H](C)[C@H](N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1786817516 RATBTUFLASRDCT-SKMQDVENSA-N 417.315 -0.667 50 20 HBGD Cc1nocc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984471 JRXWEDDEBQKFNJ-ZVZYQTTQSA-N 413.239 -0.430 50 20 HBGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)N(C)C 1792630627 MMQDFGDDTOVXSH-KQXIARHKSA-N 405.293 -0.369 50 20 HBGD Cc1ncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)[nH]1 1793537760 ALPQNTUPIYZGBO-DRXBFXEBSA-N 413.438 -0.766 50 20 HBGD O=C(Cc1ccc(O)cn1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796190543 KJXUSQMYPDZKLK-BCDXTJNWSA-N 409.251 -0.039 50 20 HBGD CCOCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796441271 RDHMIRAXAIRTJK-MADJGSHVSA-N 405.455 -0.254 50 20 HBGD COC(=O)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)cn1 1796561625 FACRMNSUZSRFLR-AYRXBEOTSA-N 411.842 -0.329 50 20 HBGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)N1CCN(C)CC1)C2 1800977877 ZXQDPVUWROXKHK-SIRPWMCASA-N 416.950 -0.534 50 20 HBGD CNC(=O)CC(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807363289 CVDYFQDADRVGAL-OXJNMPFZSA-N 424.266 -0.783 50 20 HBGD CC[C@@H](O)C(=O)N1CCC(OC2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1836665395 XMKRHHAPEMHWQK-LJQANCHMSA-N 418.299 -0.251 50 20 HBGD C[C@@H](O)C(=O)N1CCC(OC2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1838395390 LFCFXUCKBAODHU-CYBMUJFWSA-N 419.482 -0.322 50 20 HBGD O=C([C@H]1CCc2nc(O)nc(O)c2C1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847557236 YOYZMDXEAGBIAD-HBEIAFGSSA-N 410.858 -0.206 50 20 HBGD O=C(CCc1ccccc1O)NNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 730033814 VAWKABVDAJOGKV-KBPBESRZSA-N 409.464 -0.492 50 20 HBGD O=C(COc1ccccc1O)NNC(=O)NCCS(=O)(=O)NCC1CCC1 731686137 SWJISBBVXXOJLE-UHFFFAOYSA-N 400.457 -0.179 50 20 HBGD NC(=O)c1ccc(/C=C/C(=O)N2CCC[C@@H]2C(=O)NNC(=O)Cc2cc[nH]n2)cc1 755277195 POEYVKZWYPTYGU-CDVVCGDMSA-N 410.434 -0.097 50 20 HBGD CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)NNC(=O)N1CCOCC1 761284158 YPPADVGSDMIOMX-UHFFFAOYSA-N 422.485 -0.308 50 20 HBGD CCOc1cc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)ccc1OC 764227394 NSDLZBOYUDFCDS-VIFPVBQESA-N 402.429 -0.883 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(-c2nccn2C)c1 764230705 JZCNZAXQGIBJFC-SNVBAGLBSA-N 408.440 -0.889 50 20 HBGD CCc1nn(C)c(Cl)c1C=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 764812902 SQOCLWFXKPCXAA-UHFFFAOYSA-N 406.834 -0.467 50 20 HBGD CCOC(=O)CCCS(=O)(=O)N1CCN(S(=O)(=O)CBr)CC1 767849631 HSFNKVXAPPBXIX-UHFFFAOYSA-N 421.335 -0.041 50 20 HBGD CCOC(=O)c1cnc(NNC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)nc1C 778424862 DWQQYFGAAIQPGU-CQSZACIVSA-N 420.470 -0.414 50 20 HBGD COC(=O)[C@H](C)Cc1ccc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)cc1 783998584 CSKVBRKWWKGEGA-GFCCVEGCSA-N 404.423 -0.254 50 20 HBGD COCCOc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)cn1 784003195 BOTTUSAKDILFPG-UHFFFAOYSA-N 421.435 -0.316 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1 784390718 BIKPKQCNPQNMLN-ZIAGYGMSSA-N 404.423 -0.402 50 20 HBGD CS(=O)(=O)N1CCCC[C@H]1CNC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 804867663 HYJFVOKWZNSKJT-AWEZNQCLSA-N 422.471 -0.580 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCCC3(O)CCC3)nc2)CC1 807265026 YNMCCDYPAKOTRO-UHFFFAOYSA-N 412.516 -0.051 50 20 HBGD COCCN1C(=O)/C(=C/NNC(=O)c2cc(OC)cc(OC)c2)C(=O)NC1=S 920978530 HWOXGCWDSBKSSB-UKTHLTGXSA-N 408.436 -0.288 50 20 HBGD O=C(C[C@@H]1CCS(=O)(=O)C1)N1CCN(S(=O)(=O)CBr)CC1 1116487105 PDYHGYVSEXYCBX-JTQLQIEISA-N 403.320 -0.362 50 20 HBGD Cc1csc(CC(=O)NNC(=O)CN2CC[S@](=O)C[C@H]2c2cnn(C)c2)n1 1324532565 LFWWAZRBMZDSEE-CEXHIMGSSA-N 410.525 -0.319 50 20 HBGD Cc1c(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)cnc2c1c(=O)n(C)c(=O)n2C 1326100742 ZGIDSTIDJLRLGP-LLVKDONJSA-N 409.468 -0.953 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4ccncc34)C[C@@H]21)[C@H](O)CCl 1784091763 ARDSHYFIFAKRPK-YUDUHTQSSA-N 407.858 -0.078 50 20 HBGD COCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786982835 ISPDNRMEEVHICW-SZMVWBNQSA-N 404.272 -0.614 50 20 HBGD CC[C@@H](C)[C@@H](N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984609 VGWSNGDDTRSPQR-ZAMIHWKFSA-N 417.315 -0.667 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21)[C@@H]1C[C@H](O)CN1 1789762993 QVRIHPYUBKNFOJ-JIQZXMICSA-N 408.268 -0.621 50 20 HBGD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)on1 1791288549 CVCARHHPRJHPMY-DZKIICNBSA-N 407.471 -0.051 50 20 HBGD Nc1ncc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)s1 1796138059 PVKWUKCCUNLJEB-BTTYYORXSA-N 400.269 -0.029 50 20 HBGD C[C@]1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)CC1(F)F 1797754043 JTNACGKTSFMDGL-MSNRECKUSA-N 423.420 -0.066 50 20 HBGD COC(=O)NCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1802699600 FAZBFKPSAHHPAN-ZSBIGDGJSA-N 404.427 -0.707 50 20 HBGD O=C(CN1C(=O)CNC1=O)N1CCC2(CCCN(C(=O)[C@H](O)CCl)C2)CC1 1805517593 KENMNAICMKEYQI-GFCCVEGCSA-N 400.863 -0.631 50 20 HBGD C[C@H](NC=O)C(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1813074656 ZFWTXFYAOYWQKU-GMBSWORKSA-N 418.498 -0.405 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2CNC(=O)O2)n[nH]1 1815280205 SUMPANBWEYTXFZ-OLZOCXBDSA-N 421.458 -0.117 50 20 HBGD CCc1oncc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1834514425 ZTQXIKGXIZTDSS-SUMWQHHRSA-N 401.847 -0.093 50 20 HBGD CC(C)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CCC(=O)N3)CCO2)C1 1835301889 HGLMKSDYNLCAGS-FZKQIMNGSA-N 401.891 -0.014 50 20 HBGD O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839202332 AQCMWAFRHDZYIE-OCCSQVGLSA-N 407.192 -0.779 50 20 HBGD Cc1nccn1CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839711624 AUTFPSQDYDFRHD-RHSMWYFYSA-N 400.863 -0.752 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1ccc3ncnn3c1)C2 1844264397 NZQXESVRZROYEP-UHFFFAOYSA-N 420.433 -0.141 50 20 HBGD Cc1n[nH]cc1C(=O)NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1 732083331 RELNPCZYNOSRBY-GFCCVEGCSA-N 409.472 -0.080 50 20 HBGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 742478064 MOZCYXSDIDCSPS-QAFSRLRVSA-N 405.382 -0.097 50 20 HBGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)c2ccc(CS(N)(=O)=O)cc2)cc1 744885370 CBURCWZRKAHNAT-UHFFFAOYSA-N 416.415 -0.035 50 20 HBGD Cc1c(C(=O)NNC(=O)COCc2ccccc2)cnc2c1c(=O)n(C)c(=O)n2C 747902120 JJUOTUIPWNGZAW-UHFFFAOYSA-N 411.418 -0.082 50 20 HBGD O=C(NCC(=O)N1CCN(c2ccccc2)CC1)NNC(=O)C(=O)N1CCCC1 749215220 QDFJNPVYVWBSPN-UHFFFAOYSA-N 402.455 -0.712 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@]3(C)CCOC3)CC2)cc1 755518187 TWMULDKUZONRTO-LJQANCHMSA-N 424.523 -0.125 50 20 HBGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)C(=O)Nc1ccc(-n2cnnn2)cc1 763572660 UDGKXMVAJVZDRK-OAHLLOKOSA-N 409.362 -0.412 50 20 HBGD Cc1nc(CCCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cs1 765732769 SPWXODSCENAFJV-UHFFFAOYSA-N 419.467 -0.631 50 20 HBGD CCO[C@H](C)C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 766636739 TZDFXEMIMISVPT-OAHLLOKOSA-N 412.512 -0.126 50 20 HBGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)CCC[C@@]1(C)NC(=O)NC1=O 801435634 PAMFPKUHTOVPNO-LJQANCHMSA-N 404.423 -0.003 50 20 HBGD Cc1ccccc1CC(=O)NNC(=O)CN1CCN(S(=O)(=O)c2cc[nH]n2)CC1 809988674 OGWMPEZQKSVEQM-UHFFFAOYSA-N 420.495 -0.585 50 20 HBGD O=C(NCCCN1C(=O)CCC1=O)NNC(=O)C1CCN(c2ncccn2)CC1 1116003410 IASQHPOZOBZKCA-UHFFFAOYSA-N 403.443 -0.438 50 20 HBGD CCN1CCOC[C@H]1C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 1120699178 VTCZNDJOVPQDSF-KRWDZBQOSA-N 411.528 -0.214 50 20 HBGD Cn1cccc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779029378 WRTQULKZMMIBIX-HXUWFJFHSA-N 412.450 -0.219 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4c3OCCC4)C[C@@H]21)[C@@H](O)CCl 1784092628 RRHHJDMYYSGMIJ-MXAVVETBSA-N 412.874 -0.141 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(O)cn3)C2)C1 1784645063 ZBAZUQNVMRWZIU-FQEVSTJZSA-N 419.482 -0.467 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cncnc3)[C@H]2C1 1785394859 HDRMOFRLLBSOOF-ULQDDVLXSA-N 418.498 -0.628 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)c1cnc(OCF)cn1 1794406445 PGURALVGAPRUIR-QPPBUOOMSA-N 402.810 -0.415 50 20 HBGD Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)no1 1795740934 QRBAXULFXHTPJR-CCWDJLKJSA-N 413.239 -0.891 50 20 HBGD Cc1nc2ncccn2c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1797004263 XXMSECQQQLALIC-CRWXNKLISA-N 407.858 -0.159 50 20 HBGD CN(C)C(=O)C(=O)N1CCCC2(CCN(C(=O)c3cnccc3C(=O)NN)CC2)C1 1809579145 YUWWXQPUXXPXBN-UHFFFAOYSA-N 416.482 -0.382 50 20 HBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C1=NNC(=O)C1)CC2 1826087633 GXIYTPMCLCBMLK-VIFPVBQESA-N 421.483 -0.696 50 20 HBGD CC(=O)N[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833312270 OGXJMSHALQOUHC-BLLLJJGKSA-N 402.923 -0.318 50 20 HBGD COCCC(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798021 VZDKOPBNEONTPU-UHFFFAOYSA-N 417.315 -0.412 50 20 HBGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CSC(=N)N)CCO2)C1 1835516699 SYRKLWYRZHMBLP-QMTHXVAHSA-N 423.333 -0.147 50 20 HBGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=N)N)CCO2)C1 1835578341 RHHQHPGLVMYZTB-ABAIWWIYSA-N 420.308 -0.901 50 20 HBGD CN(C)C(=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839199908 ZGYDBZQIPSLUQV-QMTHXVAHSA-N 410.240 -0.779 50 20 HBGD CN(C)N(C(=O)CNS(=O)(=O)c1c(F)cccc1F)[C@@H]1CCS(=O)(=O)C1 728179686 NUGXQLNGLQFCSU-SNVBAGLBSA-N 411.452 -0.265 50 20 HBGD Cc1nc(S(=O)(=O)NCCC(=O)NNC(=O)COc2ccccc2O)cn1C 730782057 GJERRWHRBKHSPI-UHFFFAOYSA-N 411.440 -0.671 50 20 HBGD O=C(CCNC(=O)NNC(=O)[C@H]1Cc2ccccc2O1)N[C@H]1CCS(=O)(=O)C1 748330940 SYIRCVOLONGDIY-GXTWGEPZSA-N 410.452 -0.986 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(-c2nccs2)c1 764230721 KIIKGDLZQDUUMV-VIFPVBQESA-N 411.465 -0.166 50 20 HBGD CSCc1ccc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 765722077 STNXLCLIEGAZBY-UHFFFAOYSA-N 416.463 -0.242 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@H]2CSc3ccccc32)n(C)c1=O 765732762 SCYKZVHRTVJJMG-NSHDSACASA-N 414.447 -0.529 50 20 HBGD COc1ccc(-c2cc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)n[nH]2)cc1OC 768277013 OWRNDSNZZWYKRA-SECBINFHSA-N 411.440 -0.207 50 20 HBGD COC[C@H](CNS(=O)(=O)CBr)NS(=O)(=O)CBr 782480138 FRNNRDSOSNRDNF-LURJTMIESA-N 418.129 -0.455 50 20 HBGD COC(=O)[C@@H]1CN(C(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)c2ccccc2O1 783427259 QSUSGEFKPYHDPA-SUMWQHHRSA-N 411.436 -0.848 50 20 HBGD C[C@H](C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1)n1cnc(C#N)n1 798744161 QHJBLCPMSFEVJD-ZWNOBZJWSA-N 400.351 -0.759 50 20 HBGD Cn1nnc2c(C(=O)N3CCN(S(=O)(=O)CBr)CC3)ccnc21 801183486 NRYYBDHBNPQUNW-UHFFFAOYSA-N 403.262 -0.197 50 20 HBGD Cn1c(=O)c2cc(C(=O)NNC(=O)Nc3ccc4c(c3)OCO4)cnc2n(C)c1=O 802106428 GBVZURILBVOXFB-UHFFFAOYSA-N 412.362 -0.173 50 20 HBGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)cc1 816817907 MZAKFPNYUWZVRM-STQMWFEESA-N 414.484 -0.085 50 20 HBGD O=C(NNC(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1)N[C@H]1CCS(=O)(=O)C1 919883756 CIMDBQAAWRHXCK-CVEARBPZSA-N 422.507 -0.015 50 20 HBGD O=C(NNS(=O)(=O)c1c(Cl)nc2sccn12)N[C@H]1CCS(=O)(=O)C1 1338517488 HZMNRQNHGVEURU-LURJTMIESA-N 413.890 -0.271 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(CO)o3)C2)C1 1779555537 NCWRCCQZAGBSNB-LJQANCHMSA-N 408.455 -0.412 50 20 HBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)[C@@H]1CCOC1 1782691472 YTHBNFAYPGVWBI-HGHGUNKESA-N 416.283 -0.470 50 20 HBGD C[C@H](Br)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](N)CCC(N)=O)CCO2 1783532666 MHNIKLBBVFFXSG-ZIBATOQPSA-N 405.293 -0.808 50 20 HBGD CCC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CNC3=O)[C@H]2C1 1784950328 ATGTZXNWSZKXCI-XUXIUFHCSA-N 414.890 -0.075 50 20 HBGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CNC(=O)C1)C2 1792872036 JYPJVTLBXDMMGC-GCQYFTOKSA-N 402.289 -0.257 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCCO1)C2)c1ccc(B(O)O)cc1 1795732670 JVFVPRJMDNQOQN-CYGHRXIMSA-N 402.256 -0.861 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCS1)C2)c1ccc(B(O)O)cc1 1795736959 PXUJKMMJWAHMRA-FSDCSDTHSA-N 404.297 -0.535 50 20 HBGD COC[C@H](NC(C)=O)C(=O)N1CCC2(CCCN(C(=O)[C@H](O)CCl)C2)CC1 1805523353 ULOASTYIPJKKTL-LSDHHAIUSA-N 403.907 -0.032 50 20 HBGD O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807367781 MJDKRFALNWTTFQ-OXQOHEQNSA-N 421.218 -0.831 50 20 HBGD CN(C)CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1812870847 CJGIUSFJRNRABE-ZDUSSCGKSA-N 402.285 -0.390 50 20 HBGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)Cn3ccnn3)C2)C1 1834822291 FQLPOSXWLBKYDR-HNNXBMFYSA-N 416.276 -0.481 50 20 HBGD Cn1ccc(=O)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1838529239 SGMYLBWZUTWMBM-QAPCUYQASA-N 413.858 -0.945 50 20 HBGD CCOC(=O)N[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](Cl)CC)CCO2)C1 1839145282 CBTMWHXXGOAFOZ-AHIWAGSCSA-N 421.878 -0.475 50 20 HBGD CC(=O)NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839203052 YDVLCJQYVOYKDT-HIFRSBDPSA-N 424.267 -0.341 50 20 HBGD O=C1C[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)CN1 1839873485 XTOJYONFKYGSED-WBIUFABUSA-N 422.251 -0.731 50 20 HBGD O=C(CNC(=O)c1cccs1)NNC(=O)CSCC(=O)N1CCOCC1 725741084 LIOXXXXEVBJCBI-UHFFFAOYSA-N 400.482 -0.783 50 20 HBGD CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)NNC(=O)Cc2ccccn2)c1 729232308 INBOXVBMEVECBW-UHFFFAOYSA-N 420.451 -0.499 50 20 HBGD CC(=O)N[C@@H](CC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1ccc(Cl)cc1 729274987 ITUZSQDPDDEAOQ-ZANVPECISA-N 404.876 -0.008 50 20 HBGD CC(=O)N1CCCC[C@H]1C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 756239674 CJHRHHSCIAYYCS-XJKSGUPXSA-N 405.407 -0.082 50 20 HBGD COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 758052849 JVCKWXIRHUHPAI-SSDOTTSWSA-N 417.835 -0.977 50 20 HBGD C[C@H]1CN(CCC(=O)NNC(=O)c2ccc(=O)n(-c3cnn(C)c3)c2)C[C@H](C)O1 761040316 DTLBQNAMDNNQCP-KBPBESRZSA-N 402.455 -0.169 50 20 HBGD CCOc1ncccc1NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765312317 DEFCOYPKEDXQQI-UHFFFAOYSA-N 416.398 -0.920 50 20 HBGD CNS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(C)cc2)cn1 770461346 XRUJGWSTSDZAIA-UHFFFAOYSA-N 406.420 -0.084 50 20 HBGD Cn1cnc(S(=O)(=O)NCC(=O)NNc2nc(O)c3cnn(C(C)(C)C)c3n2)c1 770965209 ICCIWSLFNRZVPL-UHFFFAOYSA-N 423.459 -0.558 50 20 HBGD O=C(NNS(=O)(=O)c1ccc(OCC(F)(F)F)nc1)[C@H]1CCS(=O)(=O)C1 777915356 UTYHUSUNLRBWPW-QMMMGPOBSA-N 417.387 -0.233 50 20 HBGD CCn1nnnc1-c1cccc(NC(=O)C(=O)NN[C@@]2(C)CCS(=O)(=O)C2)c1 783424499 FDXPOIJHJZQHHE-INIZCTEOSA-N 407.456 -0.504 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)nc1Br 793024181 CKWNJOKOHBTLIQ-SSDOTTSWSA-N 422.261 -0.824 50 20 HBGD CC1CCN(C(=O)C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CC1 805567956 WMMDHFBFZFXETB-HNNXBMFYSA-N 405.407 -0.225 50 20 HBGD O=C(NNc1ccc(-n2ccnc2)nn1)Nc1cnn(CC(=O)N2CCOCC2)c1 806321623 GXNIRNCPOFUJKF-UHFFFAOYSA-N 412.414 -0.134 50 20 HBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CNS(=O)(=O)c1ccccc1F 810944336 QTEFBFYSDZHJLI-UHFFFAOYSA-N 404.420 -0.224 50 20 HBGD O=C(COC(=O)c1ccc(-n2cncn2)nc1)NNC(=O)[C@@H]1COc2ccccc2O1 928983965 PSRAKDFKIMPAML-HNNXBMFYSA-N 424.373 -0.194 50 20 HBGD CN1CCN(C)[C@@H](CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 1251790195 QALMXLXZROUWQR-AWEZNQCLSA-N 412.516 -0.873 50 20 HBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCCN1C(=O)CCC1=O 1318535153 DJXVEOIXBGDVTN-UHFFFAOYSA-N 410.456 -0.619 50 20 HBGD COCCCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779028512 FUWITVCIKWSDCO-IBGZPJMESA-N 405.455 -0.445 50 20 HBGD CN[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21)C(=O)O 1786896352 OACFOEFQDUXZPL-RVMXOQNASA-N 420.304 -0.186 50 20 HBGD Cc1nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)co1 1786979503 QSKKFWZWFYXQSC-ZVZYQTTQSA-N 413.239 -0.430 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](COC)NC(C)=O)[C@H]2C1 1788777099 URRWDNZSKCYJRH-RBZJEDDUSA-N 419.906 -0.629 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)C 1795183530 JQBNNFBYNIWFCN-MADJGSHVSA-N 404.471 -0.728 50 20 HBGD C[Si](C)(C)OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)CCC(N)=O 1795532189 AAFNYQBBYNBKBI-ZWUHOBOKSA-N 400.552 -0.980 50 20 HBGD C[Si](C)(C)OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)N1CCOCC1)C2 1797956982 UPJXEQPEXZERPA-YALNPMBYSA-N 415.563 -0.922 50 20 HBGD C[C@H](CN)C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807365162 RVMBQCISCCYBEP-LJHODMEESA-N 410.283 -0.324 50 20 HBGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)C1CC(O)C1)CC2)c1ccc(B(O)O)cc1 1815335991 WAHUTEPIRHYWMX-HRDQMINSSA-N 415.280 -0.180 50 20 HBGD O=C(CN1CCSCC1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1829705314 DYOQWJXSASDTLV-WMLDXEAASA-N 421.947 -0.909 50 20 HBGD O=C(c1nc2ccccn2n1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830723934 UWMDSRZWQSRUHN-UGSOOPFHSA-N 423.857 -0.601 50 20 HBGD Cc1cc(C)n(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)n1 1830724615 ADHMDBBTHAVBBA-QAPCUYQASA-N 414.890 -0.444 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)CNC(=N)N)CC2)CC1 1834678419 PSLWVAMLKRFOKM-CQSZACIVSA-N 402.927 -0.705 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc[nH]1)CCO2 1837784572 QMPXDUIMBVRUJL-HXUWFJFHSA-N 413.239 -0.922 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cncn3)C2)C1 1839152131 ORCOYOUGGNZBQP-JKSUJKDBSA-N 420.297 -0.029 50 20 HBGD CC[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NC=O)CCO2 1839166197 ICCWDWKWTUJYAG-HEHGZKQESA-N 420.304 -0.249 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](Cl)COC)CCO2 1840156292 PVXPHNNUTQJUAC-ZENOOKHLSA-N 413.298 -0.050 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2cnc(Cl)nc2)C1 1840974035 MCWQEQOMDHHRKC-UHFFFAOYSA-N 400.631 -0.059 50 20 HBGD CN(C)c1ncc(C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)o1 1842360367 OWRHTRUIVWRPPU-UHFFFAOYSA-N 413.438 -0.130 50 20 HBGD O=C(c1cc2ncccn2n1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011544 OFTMOACABXGJRW-UHFFFAOYSA-N 405.223 -0.460 50 20 HBGD CN(C)c1cncc(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)c1 1843013649 TVVRFWYAZPHWKD-UHFFFAOYSA-N 408.267 -0.042 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2nccc3nc[nH]c23)C1 1843291220 UXLSNUWQYYPLFO-UHFFFAOYSA-N 405.223 -0.232 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844300281 XBSOQCCEDHDEDB-FNLSEGDXSA-N 415.255 -0.288 50 20 HBGD COc1ccc(C(=O)NNC(=O)CN2CCC[C@@H](NS(C)(=O)=O)C2)cc1OC 108184041 SCTSEMVQVIPNDB-CYBMUJFWSA-N 414.484 -0.522 50 20 HBGD O=C(NNS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)N1CCOCC1 733121062 JIEVPRIUSYKHOG-UHFFFAOYSA-N 418.497 -0.294 50 20 HBGD COc1cc(OC)cc(C(=O)NNS(=O)(=O)c2ccccc2S(N)(=O)=O)c1 741648145 WTAOFHVNYJGYAU-UHFFFAOYSA-N 415.449 -0.026 50 20 HBGD N#Cc1cccc(C(=O)NNC(=O)COC(=O)[C@H](CO)NC(=O)c2ccccc2)c1 744827136 FRUAGDNSPQQTRF-INIZCTEOSA-N 410.386 -0.347 50 20 HBGD COc1ccc(OCC(=O)NNC(=O)NCCCN2CCC[C@H](C(N)=O)C2)cc1 745833589 YBMUGTUDDCUUPR-AWEZNQCLSA-N 407.471 -0.008 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NC[C@H](C)S(C)(=O)=O)cc1 754671952 NXICAMDNKXOJRE-LBPRGKRZSA-N 420.513 -0.621 50 20 HBGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(CC(N)=O)cc2)cc1 763660207 ZMYNDYJYYFHXLG-UHFFFAOYSA-N 400.391 -0.112 50 20 HBGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 764423584 BPBICDCMLYEFKR-ZDUSSCGKSA-N 410.339 -0.743 50 20 HBGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccccc1CN1CCSCC1 764433988 PHIBWWOCNZOBIY-HNNXBMFYSA-N 408.480 -0.263 50 20 HBGD Cc1ccc(Cn2cccc(NC(=O)C(=O)NNC(=O)[C@H]3COCCO3)c2=O)cc1 764434517 QIAUWNIJKQEAAE-MRXNPFEDSA-N 414.418 -0.294 50 20 HBGD CC(C)(O)C(=O)NNC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2 768244742 NBOQXXHBULJYMY-UHFFFAOYSA-N 415.468 -0.175 50 20 HBGD COc1ccc(-c2cc(C(=O)NNC(=O)c3cnc(O)n(C)c3=O)n[nH]2)cc1OC 768278685 JESWJOPLLVMMJA-UHFFFAOYSA-N 414.378 -0.032 50 20 HBGD Cn1ncc2c(O)nc(NNC(=O)NCCNS(=O)(=O)c3ccccc3)nc21 770340716 KBIKQHCROBBNBY-UHFFFAOYSA-N 406.428 -0.327 50 20 HBGD CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)NNC(=O)CNC(=O)c1cccs1 799911509 FRWDLHKHVTVKRE-WDEREUQCSA-N 417.513 -0.474 50 20 HBGD CC(=O)OCCCS(=O)(=O)N1CCN(S(=O)(=O)CBr)CC1 805060865 JQAUTZPCXSSWBJ-UHFFFAOYSA-N 407.308 -0.431 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)Cc3ccccn3)CCO2)C1 1779030074 GRSUBWIKBPGKFI-NRFANRHFSA-N 424.461 -0.234 50 20 HBGD O=C(c1nn[nH]c1C(F)(F)F)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1780359430 LRGMWOYMPLWEQU-ISVAXAHUSA-N 411.768 -0.133 50 20 HBGD O=C(c1nn[nH]c1C(F)(F)F)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1780359432 LRGMWOYMPLWEQU-SDBXPKJASA-N 411.768 -0.133 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 1783588900 JEZCYALSHWDNOH-IHSNIMORSA-N 408.499 -0.243 50 20 HBGD CC(=O)C[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1783826013 WFBLBKAUKRYGDV-JLTOFOAXSA-N 402.256 -0.575 50 20 HBGD CC[C@@H](C)[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786980106 JVESXVNHLUFWKR-CRWDZZMISA-N 418.299 -0.633 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)CN)C[C@@H]21 1787508625 DATWUCXMZPXUCR-RWWPBDOISA-N 418.498 -0.305 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCOCC3)C[C@@H]21 1791289398 XLAJPYJPHLMCAD-ULQDDVLXSA-N 410.515 -0.234 50 20 HBGD COc1cnc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)cn1 1796190819 OZHZLWZLPBJQFH-MUJYYYPQSA-N 410.239 -0.269 50 20 HBGD C[C@H](Cn1cncn1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796191971 WTDODWRJLHBMHV-NKGKWGDASA-N 411.271 -0.454 50 20 HBGD Cc1nc(C)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)o1 1798141756 MYAKLVYDSBIYRF-SCAQPMJSSA-N 413.239 -0.512 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)[C@@H]1CC(c2ccccc2)=NN1 1800153788 ULEOGRAYFDBZIG-CENPHQPOSA-N 420.897 -0.058 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CNC(=O)C1 1801669920 GKLUEZXBMQEOKB-GXWVAJNWSA-N 414.466 -0.105 50 20 HBGD CN1CC(C(=O)N2CC[C@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)C1 1807368211 QLHPEUQPQWLVEN-YLJYHZDGSA-N 422.294 -0.357 50 20 HBGD CC(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)CBr)CCO2 1830544220 QTDFZESQKMXMRK-WBMJQRKESA-N 420.304 -0.390 50 20 HBGD O=C(c1cccc(=O)n1O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1833472053 QQTZIOQOTHEJKZ-BBRMVZONSA-N 403.794 -0.310 50 20 HBGD O=C(NC1CCN(C2CCN(C(=O)[C@@H]3C[C@@H]3F)CC2)CC1)c1ccc(B(O)O)cc1 1834797520 SWHZMWVMZSAJIK-MOPGFXCFSA-N 417.290 -0.090 50 20 HBGD C[C@@H]1C[C@@]1(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835931087 FULQHURMCYVSSD-IPHXSNPTSA-N 416.283 -0.518 50 20 HBGD C[C@H](CN)C(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1837835269 VWUXTSXGQVBQDB-OAHLLOKOSA-N 411.547 -0.047 50 20 HBGD CN(C)C(=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199906 ZGYDBZQIPSLUQV-HZMBPMFUSA-N 410.240 -0.779 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCSC(=N)N)C2)C1 1840151734 MVLCQEDETXGTHG-WBMJQRKESA-N 422.935 -0.287 50 20 HBGD CCc1[nH]nc(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)c1F 1842309392 UGSPNVAAJVEPGA-UHFFFAOYSA-N 400.219 -0.078 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)[C@@H](N)Cc2cccnc2)C1 1843386805 QSVHCGMVYFNRAX-KRWDZBQOSA-N 423.477 -0.533 50 20 HBGD O=C(NCCCN1CCCS1(=O)=O)NNC(=O)c1nn(-c2ccccc2)cc1O 725877275 RXMJVAVGYAOTNJ-UHFFFAOYSA-N 422.467 -0.053 50 20 HBGD O=C(COc1ccc(Br)cc1)NNC(=O)Cn1ncn2nccc2c1=O 732727281 HZCPREXCEMTJFH-UHFFFAOYSA-N 421.211 -0.120 50 20 HBGD C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1 735586130 KZOBPORVTRNRJY-YJBOKZPZSA-N 410.544 -0.027 50 20 HBGD COc1cc(C)nc(NNC(=O)Cn2c(=O)oc3cc(S(N)(=O)=O)ccc32)n1 746634561 JHNNWSHNEVPHFM-UHFFFAOYSA-N 408.396 -0.508 50 20 HBGD CCCCS(=O)(=O)N1CCC(C(=O)NNC(=O)CNC(=O)c2ccco2)CC1 751204010 UPWWPVGQBPHDGN-UHFFFAOYSA-N 414.484 -0.001 50 20 HBGD NC(=O)c1ccc(NNC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)nn1 757406723 FWFYAZPDBRCWJL-INIZCTEOSA-N 409.406 -0.506 50 20 HBGD CC(C)NS(=O)(=O)NCCNC(=O)NNC(=O)[C@H](C)Oc1ccccc1F 759572619 KBHHXWDRBUREAF-NSHDSACASA-N 405.452 -0.244 50 20 HBGD NC(=O)[C@@H]1CC[C@@H](CNC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)O1 760204918 WAMFFTLQHKBTIC-IRXDYDNUSA-N 418.498 -0.438 50 20 HBGD CCOC(=O)[C@@H]1CCC(=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)[C@H](C)C1 761268216 XUJXBLDCGLUHBD-VXGBXAGGSA-N 418.454 -0.095 50 20 HBGD C[C@H]1C[C@H](NC(=O)NNc2nc(O)c3cnn(C)c3n2)C(=O)N1c1cnn(C)c1 770399225 LAQRGUHTWCKSGG-KWQFWETISA-N 400.403 -0.378 50 20 HBGD CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NNc1nc(O)c2cnn(C(C)(C)C)c2n1 770957619 CIOKDVRPZQPGJH-LBPRGKRZSA-N 418.458 -0.143 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)COC1CCN(C(=O)OC(C)(C)C)CC1 777139223 WDLFMQKMHLFTCU-LLVKDONJSA-N 422.504 -0.512 50 20 HBGD COCCOc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)cc1F 784003023 ZQJQNECFTMPVKU-UHFFFAOYSA-N 422.369 -0.040 50 20 HBGD Cn1nc(C(=O)NNC(=O)c2cc(N3CCNC(=O)C3)ccn2)c2ccccc2c1=O 786690176 SVDXECWCXHIMBQ-UHFFFAOYSA-N 421.417 -0.661 50 20 HBGD CN(CCCC(=O)NNC(=O)CN1CCCC1=O)S(=O)(=O)c1ccc(F)cc1 789856540 IJERLUYSFSJXIC-UHFFFAOYSA-N 414.459 -0.004 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cnc3[nH]c(O)nc3c2)c1 809542175 VXFNYIWMIUWBAB-UHFFFAOYSA-N 404.408 -0.011 50 20 HBGD O=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)NNC(=O)c1ccncc1 912768624 HICIQCSFZFEXAA-UHFFFAOYSA-N 406.420 -0.018 50 20 HBGD C[C@H](CN1CCN(C)CC1)NC(=O)NNC(=O)c1csc(N2CCOCC2)n1 1116002569 QJEHTIPMUZASOU-CYBMUJFWSA-N 411.532 -0.440 50 20 HBGD COCCn1cc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)cn1 1324265117 BNRSLGMQUDSSJU-UHFFFAOYSA-N 416.485 -0.554 50 20 HBGD O=C(NCCC(=O)N1CCOCC1)NNC(=O)C1CCN(c2ncccn2)CC1 1338562302 QUMYLLDNSYLCSF-UHFFFAOYSA-N 405.459 -0.728 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(CN(C(=O)CCc3cnccn3)CCO2)C1 1783937005 CLHXOJXNOPIMKS-HXUWFJFHSA-N 418.498 -0.388 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCC3)C2)c1cccc(B(O)O)c1 1795739149 PEVGYKRXGCMIES-CCWDJLKJSA-N 424.266 -0.974 50 20 HBGD O=C(CN1C(=O)CNC1=O)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@@H]1c1cccnc1 1804087561 HCSNIYQPINJNRK-WOSRLPQWSA-N 423.857 -0.761 50 20 HBGD Nc1n[nH]c(CCC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)[C@H](O)CCl)CC3)n1 1819550026 BSVODDRLARHORQ-IONNQARKSA-N 413.891 -0.012 50 20 HBGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1830543879 GWKAOXRTLACGMZ-WBMJQRKESA-N 417.256 -0.438 50 20 HBGD O=C(NC1CCN(C2CCN(C(=O)C(F)F)CC2)CC1)c1cccc(B(O)O)c1 1834800933 BGSUFWZETJOKGR-UHFFFAOYSA-N 409.242 -0.183 50 20 HBGD O=C(NC1CCN(C2CCN(C(=O)[C@@H](O)N3CCOCC3)CC2)CC1)[C@H](F)Cl 1835084330 YJFKKKCWRPGOTE-MAUKXSAKSA-N 420.913 -0.257 50 20 HBGD O=C([C@H](O)CCl)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)c1ccccc1)CCO2 1835285073 KXHVGVXUPULUMK-GJYPPUQNSA-N 412.870 -0.224 50 20 HBGD C[C@H](O)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837920802 HDWMFEMWVJBEIY-AWEZNQCLSA-N 404.272 -0.641 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CSCC(=O)O)C2)C1 1840155974 LHTAPUUIFYWEEK-LRDDRELGSA-N 424.903 -0.486 50 20 HBGD CN(C)c1ccc(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)nc1 1842276979 BOWLALMEADIJNX-UHFFFAOYSA-N 408.267 -0.042 50 20 HBGD O=C(CNC(=O)c1cccc(Br)c1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 9931130 XYBWZRNOFJNFNG-SNVBAGLBSA-N 418.269 -0.239 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)COc2ccccc2Cl)n(C)c1=O 15878158 VSYXYWGQYKAECB-UHFFFAOYSA-N 420.813 -0.687 50 20 HBGD O=C(NCCS(=O)(=O)N1CCOCC1)NNC(=O)c1ccc2c(c1)OCCO2 52302058 LZSYTVBLYAIHNJ-UHFFFAOYSA-N 414.440 -0.936 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 729275753 RJXGPDYFNDGVKI-IUCAKERBSA-N 404.395 -0.597 50 20 HBGD C[C@H](O)[C@H](NC(=O)C(C)(C)C)C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1 745703832 RKAMMSGTRTVKSK-NHYWBVRUSA-N 404.423 -0.226 50 20 HBGD N#Cc1ccccc1OCC(=O)NNC(=O)NCCNS(=O)(=O)c1cccnc1 746326740 UHSHERNZZNSQGD-UHFFFAOYSA-N 418.435 -0.359 50 20 HBGD NC(=O)[C@@H]1CCCN(CCCNC(=O)NNC(=O)Cc2cn3ccccc3n2)C1 746770814 USQAOCWXPIMYSE-CQSZACIVSA-N 401.471 -0.205 50 20 HBGD NS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)c1 764167441 KBQKJPPRRSLSFA-AWEZNQCLSA-N 404.404 -0.576 50 20 HBGD CNC(=O)c1cc(Oc2ccccc2NC(=O)C(=O)NNC(=O)CN(C)C)ccn1 764213322 VPPNEVLUSCJQJA-UHFFFAOYSA-N 414.422 -0.119 50 20 HBGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 764433959 PBUVBYRXEOBZJK-SNVBAGLBSA-N 404.282 -0.303 50 20 HBGD CC(=O)N1CCC[C@@H](C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)C1 766640851 GLIKRUHFZUWARP-GOSISDBHSA-N 415.494 -0.150 50 20 HBGD CC(C)(O)C(=O)NNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccc(Cl)cc1 768260510 CKVAJLLBQYXVQB-LBPRGKRZSA-N 419.887 -0.209 50 20 HBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CN1C(=O)N[C@](C)(c2ccccc2OC)C1=O 772208850 XZRQXNUZHDFNFC-NSPYISDASA-N 420.422 -0.049 50 20 HBGD CN(C)N(C(=O)CNS(=O)(=O)c1c[nH]c2ncccc12)[C@H]1CCS(=O)(=O)C1 792847870 BEJVGVPRJSRKQJ-NSHDSACASA-N 415.497 -0.667 50 20 HBGD CCn1nc(C)c(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)n1 814698982 XIDALTJXTNUASY-UHFFFAOYSA-N 422.467 -0.298 50 20 HBGD CN1CC(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCC(=O)NN(C)C)C2)C1 1782214529 UIKWAZSIVDDWET-OXQOHEQNSA-N 409.531 -0.565 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)[C@H]3[C@H]4SC=C[C@H]43)C2)C1 1782734838 DINVGCGXFLTRGX-CLWJZODNSA-N 414.292 -0.315 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1 1783871018 LOQWLCHMYWNZCJ-ACJLOTCBSA-N 413.858 -0.615 50 20 HBGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(=O)n3O)C[C@@H]21 1791252870 ULWHZMNOQJWCEC-XPCVCDNBSA-N 413.858 -0.067 50 20 HBGD CCc1ccnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c1 1796041233 FFIWMWYWZICMGS-XEMDLRDOSA-N 423.278 -0.159 50 20 HBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCCCC1=O 1800894033 JQAXCRMXKOMSTH-UMPJEAMMSA-N 401.891 -0.158 50 20 HBGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCS1(=O)=O)C2 1800979590 QCUMUGKNVWDGGP-XHJNMGKDSA-N 408.904 -0.593 50 20 HBGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C2 1802337144 HKNGTWKMLATJHT-ZSBIGDGJSA-N 407.431 -0.057 50 20 HBGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)COc1cccnn1)C2 1802339961 VBDIIPOYWCGRFC-QDMKHBRRSA-N 404.471 -0.133 50 20 HBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](O)CCl)C2 1802837864 NAUJOACLCDURAY-ZIRHEVKLSA-N 411.890 -0.305 50 20 HBGD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1)[C@@H](O)CCl 1803147628 XSSKIZPMSSDZDD-DEYYWGMASA-N 420.853 -0.388 50 20 HBGD CN(C)CC(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1806454388 HPBBMTBBSMDGJB-YLJYHZDGSA-N 410.283 -0.357 50 20 HBGD CC(=O)NCC(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807368063 XBYYEKVWGYQRNN-YLJYHZDGSA-N 424.266 -0.783 50 20 HBGD Cn1cnc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)n1 1816319872 QGKDWANACLYGBG-OAHLLOKOSA-N 423.242 -0.162 50 20 HBGD NC(=O)CC[C@H](N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](O)CCl)CC1 1826817661 INQDVENFSIWKDM-SOUVJXGZSA-N 402.923 -0.201 50 20 HBGD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1)C1(O)CCC1 1830719789 KOAPNHXHXLLHNM-CPUCHLNUSA-N 404.891 -0.406 50 20 HBGD CCOC(=O)/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](Cl)COC)C2)C1 1834777959 OVOWQYCQRSTIBF-BYQXYHSISA-N 418.874 -0.184 50 20 HBGD O=C(NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1)c1ccnnc1O 1836060812 YXDFCBUYPFBFIR-OAHLLOKOSA-N 411.890 -0.033 50 20 HBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NC=O)CCO2 1839166691 QIVBEEMGPDIDIC-SLEUVZQESA-N 406.277 -0.639 50 20 HBGD O=C([C@@H](O)CCl)N1CC2(CCCN2C(=O)Cc2cn3c(nc2=O)SCC3)C1 1845021330 GEJGESVRZOTDRH-LBPRGKRZSA-N 412.899 -0.305 50 20 HBGD Cc1csc(CC(=O)NNC(=O)COC(=O)CCN2CCCS2(=O)=O)n1 728728989 HEDLEADBZIEXBP-UHFFFAOYSA-N 404.470 -0.890 50 20 HBGD CN(C)CCNC(=O)C1CCN(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 728925132 DDVOKXRQPKOWGS-UHFFFAOYSA-N 420.470 -0.254 50 20 HBGD O=C(Cn1ccc2ccccc21)NNC(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 729507041 CTWDXJYEJXAFOV-AWEZNQCLSA-N 421.479 -0.335 50 20 HBGD COc1cc(C=NNC(=O)[C@H](C)CN2CCOCC2)cc(OC)c1OCC(N)=O 730552272 HIJLTQUSNJWMMW-CYBMUJFWSA-N 408.455 -0.014 50 20 HBGD O=C1NC(=O)c2cc(S(=O)(=O)NNC(=O)[C@@H]3COc4ccccc4O3)ccc21 731594635 JEPFQCMTVDSARP-AWEZNQCLSA-N 403.372 -0.280 50 20 HBGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)CSc1nnnn1C1CC1 734240083 JDRGVHWKUCJZTM-UHFFFAOYSA-N 400.465 -0.045 50 20 HBGD COCCN1C(=O)c2ccc(C(=O)NNC(=O)N3CCOCC3)cc2S1(=O)=O 745995955 FRCGTFSFCXKOFZ-UHFFFAOYSA-N 412.424 -0.836 50 20 HBGD CCS(=O)(=O)N1CCC[C@@H](C(=O)NNC(=O)CNC(=O)c2cccs2)C1 751206225 HQDAFICIVQRMDG-LLVKDONJSA-N 402.498 -0.313 50 20 HBGD CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)NNC(=O)COc2ccccc2O)C1=O 752022310 CIBDDKHCMJBUOZ-BBATYDOGSA-N 405.411 -0.178 50 20 HBGD Cc1c(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cnn1CCO[C@H]1CCCCO1 758047287 KOVAKMOWWZILMP-FZMZJTMJSA-N 417.488 -0.567 50 20 HBGD C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NNC(=O)C(=O)Nc1ccccn1)C2=O 758838100 BCJDIIPMJSAYKB-BBATYDOGSA-N 402.411 -0.332 50 20 HBGD C[C@@H](CNC(=O)C(=O)NNC(=O)CCSc1ccc(F)cc1)S(N)(=O)=O 763895733 QYFHIJZRAPWIOF-VIFPVBQESA-N 406.461 -0.752 50 20 HBGD COc1cc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)c([N+](=O)[O-])cc1O 767301817 PHTDGGQRBCUELV-UHFFFAOYSA-N 424.395 -0.656 50 20 HBGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NN(C)C(N)=O)CC2)o1 770534486 VBCGBSCVHPIBAZ-UHFFFAOYSA-N 402.429 -0.101 50 20 HBGD Cc1cc(C(=O)O[C@@H](C)C(=O)NNC(=O)CC(C)C)nc2c1c(=O)n(C)c(=O)n2C 772140756 QOGAPAZWQHWZRH-NSHDSACASA-N 419.438 -0.321 50 20 HBGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NCC(=O)N2CCOCC2)nc1 776637430 VBXHQNYEDQMIMB-UHFFFAOYSA-N 414.488 -0.403 50 20 HBGD CNS(=O)(=O)CCNC(=O)NNC(=O)c1ccc(OC)c(Br)c1 784079949 UBUSBNBJCZJSAP-UHFFFAOYSA-N 409.262 -0.049 50 20 HBGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)NCCN1CCCS1(=O)=O 792871231 IYDJGBPTGHZTAY-UHFFFAOYSA-N 413.456 -0.721 50 20 HBGD CNS(=O)(=O)N1CCC(C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)CC1 806346455 MWLMPAPPWCIZIX-UHFFFAOYSA-N 422.467 -0.485 50 20 HBGD O=C(CNS(=O)(=O)c1cccc(F)c1)NNC(=O)c1ccc(-n2cnnn2)cc1 913155955 KCOHWHVGWNXLIQ-UHFFFAOYSA-N 419.398 -0.459 50 20 HBGD O=C(CCNS(=O)(=O)c1ccc(F)cc1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 920212552 OZRJSTXZKXCCSS-NSHDSACASA-N 422.460 -0.988 50 20 HBGD CCOC(=O)C1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)CC1 1784094801 SFRPUBZISDRSBS-XUXIUFHCSA-N 402.875 -0.091 50 20 HBGD Cn1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)cn1 1786979545 WRBCSEFABOOIAO-WBAXXEDZSA-N 412.255 -0.993 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)c1cn2cccnc2n1 1788307133 BNJHZCCUNQQZGX-JURCDPSOSA-N 407.858 -0.078 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCS1)C2)c1cccc(B(O)O)c1 1795740642 FZXHEZPSZSLWGQ-FSDCSDTHSA-N 404.297 -0.535 50 20 HBGD COCCn1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](Cl)COC)n1 1800977785 FTVIKIUBZRBHRG-FQLMCAECSA-N 414.890 -0.014 50 20 HBGD Cc1cn(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](F)Cl)C3)c(=O)nc1O 1801970157 OQTVZKXPFOBRMX-LFSVMHDDSA-N 402.810 -0.619 50 20 HBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCNC(=O)C1 1802442648 LIVOXSRNMMOKAO-FQUUOJAGSA-N 414.466 -0.537 50 20 HBGD O=C1CN(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H](O)CCl)CC2)C(=O)N1 1824966996 DHQHDIKJZAPGHS-UONOGXRCSA-N 414.890 -0.242 50 20 HBGD C[C@](O)(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1)C(F)(F)F 1832149641 BCZXIEFCDHLRBU-LEWSCRJBSA-N 418.796 -0.644 50 20 HBGD O=C1CC[C@@H](C(=O)N2CCC(N3CCC(NC(=O)[C@@H](O)CCl)CC3)CC2)CN1 1833306029 JUAYITVCQFJEKR-CJNGLKHVSA-N 414.934 -0.316 50 20 HBGD O=C(c1cc(=O)cco1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1834601573 SPWMVADNHDTJPK-DYVFJYSZSA-N 400.815 -0.691 50 20 HBGD CC(=O)N/C(C)=C/C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839645611 OYBVLSBNCFMUJA-PDXIQHMZSA-N 403.863 -0.918 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn(C)n3)C2)C1 1840151235 YGOYTKQYNZNDQL-BLLLJJGKSA-N 401.851 -0.861 50 20 HBGD CS(=O)(=O)c1cncc(C(=O)N2CC3(CCCN3C(=O)[C@@H](O)CCl)C2)c1 1841350234 PXDNBVLQJAKMGQ-ZDUSSCGKSA-N 401.872 -0.098 50 20 HBGD C[C@H](C(=O)N1CCCC12CN(C(=O)CCC(=O)NN(C)C)C2)n1ccccc1=O 1844367656 PJLCOEGHAQGCCF-OAHLLOKOSA-N 403.483 -0.014 50 20 HBGD C[C@H](Br)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCS(=O)(=O)CC1 1848071614 FEOONJHGDFBAKE-AVGNSLFASA-N 422.345 -0.298 50 20 HBGD Cn1cc(C(=O)NNC(=O)NCCS(=O)(=O)N2CCOCC2)c2ccccc21 52140909 RJYQOZVQDIYHSM-UHFFFAOYSA-N 409.468 -0.216 50 20 HBGD O=C(NNc1ccc(-n2cccn2)nn1)N[C@H]1CCN(CCN2CCOCC2)C1 734686097 KNOPNDMWJGUACZ-HNNXBMFYSA-N 401.475 -0.305 50 20 HBGD COc1ccccc1OCC(=O)NNC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 742473031 ZRJCVLWTDMQXLK-UHFFFAOYSA-N 421.431 -0.206 50 20 HBGD C[C@H](C(=O)NNC(=O)COc1ccccc1O)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 746235334 TVLGUWAANNVKFM-YUHPLZMDSA-N 403.391 -0.531 50 20 HBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1 764204328 RBJAKZSNCXDGTE-CQSZACIVSA-N 406.443 -0.365 50 20 HBGD Cc1cc(C)nc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 765298862 IDRDMNFFPYQJTL-UHFFFAOYSA-N 400.399 -0.702 50 20 HBGD Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NNC(=O)Cc2cccnc2)[C@@H](C)O)cc1 779512199 OEIMLNVFMZHRRC-CXAGYDPISA-N 406.464 -0.192 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(F)c(N2CCCNC2=O)c1 806807001 SRJAQHAIRRYDLZ-SECBINFHSA-N 416.435 -0.164 50 20 HBGD O=C(CNS(=O)(=O)c1cccnc1)NNC(=O)c1nnc(O)c2ccccc12 809933134 SIIFSLVOIGSQHR-UHFFFAOYSA-N 402.392 -0.530 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@H]2CCc3cccc(O)c32)n(C)c1=O 815827266 ROWAXVNTOYIVGR-NSHDSACASA-N 412.406 -0.983 50 20 HBGD CC(C)[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1784184657 CALBZXDMZVLNEC-OSMBCOQSSA-N 419.482 -0.705 50 20 HBGD O=C(Cn1ccnn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1787122257 CXKHLDAENPVNHZ-MRBYEJRBSA-N 404.240 -0.052 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21)[C@@H]1C[C@H](O)CN1 1789761433 ZYLIRQRRKMIORY-PEDHHIEDSA-N 404.305 -0.526 50 20 HBGD CC[C@@H](NC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1792616940 VVEQYMITAPWMID-UMPJEAMMSA-N 416.482 -0.148 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@](C)(O)C(F)(F)F 1793693973 GPTRPBMTQNELCI-VAECKANCSA-N 424.420 -0.738 50 20 HBGD CC(C)c1nc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)no1 1793995996 DJYLAUBZFSGRFQ-OXIQGZBJSA-N 400.863 -0.075 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)c1ccco1)C2)c1cccc(B(O)O)c1 1795737264 MJJJBUGGGPHXSE-XOIINTDNSA-N 412.207 -0.955 50 20 HBGD N=C(N)SCC(=O)N1CCCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1 1809635299 SBJSKUVZHCVSLM-UHFFFAOYSA-N 418.328 -0.162 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1837714801 OSGLHAAWBHTZOH-RLFYNMQTSA-N 415.563 -0.983 50 20 HBGD COCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCC(=O)NN(C)C)CCO2 1840183006 YWQTVNJYCZRQHV-LJQANCHMSA-N 414.503 -0.758 50 20 HBGD CC[C@H](NC(N)=O)C(=O)N1CC2(CCCN2C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C1 1843416106 ZTOVTCSJLLETCZ-ZXCVBSDHSA-N 417.470 -0.229 50 20 HBGD CC(=O)NCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(B(O)O)cc1 1847878946 YUVALFVJIJMOPO-IRXDYDNUSA-N 401.272 -0.656 50 20 HBGD COc1ccc(NCC(=O)NNC(=O)CNS(=O)(=O)c2cn(C)c(C)n2)cc1 725881229 UVZAROVNYWPZMV-UHFFFAOYSA-N 410.456 -0.725 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 729275739 RCPZFBXPWGQUQC-IWERZKIRSA-N 414.528 -0.206 50 20 HBGD COc1cc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)cc(OC)c1O 730569333 VIEAGCWEAFHTLF-UHFFFAOYSA-N 409.424 -0.556 50 20 HBGD CN(C)CC(=O)NNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 733359364 NLFIGXCPGZEQAH-LBPRGKRZSA-N 413.456 -0.296 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CN2C(=O)NC(=O)C2(C)C)c1 735833787 BADNUQNGTXYPBJ-UHFFFAOYSA-N 411.440 -0.972 50 20 HBGD CCC(CC)NC(=O)C(=O)NNC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 740850962 IYACSAIIVKSLJV-HNNXBMFYSA-N 411.503 -0.848 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)c1 748524739 WYRGZKCLDQAXKG-GFCCVEGCSA-N 420.451 -0.526 50 20 HBGD O=C(NNS(=O)(=O)c1ccc(Br)o1)N[C@H]1CCS(=O)(=O)C1 758940133 LAPYATSEHPDNQS-LURJTMIESA-N 402.248 -0.278 50 20 HBGD COC(=O)c1ccccc1NC(=O)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 763921245 KJXHUFPELMSFFC-UHFFFAOYSA-N 409.362 -0.151 50 20 HBGD COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)C2CCCC2)cc1 764076233 CCVUKTOEFGFGLK-UHFFFAOYSA-N 412.468 -0.113 50 20 HBGD CC(C)COc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cn1 764230449 ILBGEFKJDASPNS-SNVBAGLBSA-N 401.445 -0.860 50 20 HBGD C[C@H](C(=O)NNC(=O)CNC(=O)c1cccnc1)S(=O)(=O)c1ccc(F)cc1 764343696 QSXLQWXHNGHWJZ-LLVKDONJSA-N 408.411 -0.040 50 20 HBGD CC(=O)Nc1cncc(C(=O)NNC(=O)c2cc(S(=O)(=O)N(C)C)cn2C)c1 778691908 ZUDSMYDPJZTNMS-UHFFFAOYSA-N 408.440 -0.296 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1cccc(N2CCCC2=O)c1 784003850 CNKXTCNKGJVQCB-UHFFFAOYSA-N 413.390 -0.078 50 20 HBGD Cn1ccnc(NNC(=O)CNS(=O)(=O)c2ccc(Br)cc2)c1=O 810470874 WBMVJJFBOOUKLQ-UHFFFAOYSA-N 416.257 -0.036 50 20 HBGD N#Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1 914878785 AJWAKYCHNYCKGW-KGLIPLIRSA-N 420.447 -0.880 50 20 HBGD NC(=O)c1ccc(N2CCN(CC(=O)NNC(=O)c3ccc(F)cc3)CC2)nc1 917103729 NNSDRVJWNUAQCP-UHFFFAOYSA-N 400.414 -0.097 50 20 HBGD CN1CCC[C@@H](C(=O)N2CC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)C1 1781005337 JNNWTHKJBJLYGD-UZLBHIALSA-N 409.531 -0.469 50 20 HBGD C[C@H](Nc1cnccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784092151 IAAXFXNYPNQSCZ-YTFOTSKYSA-N 411.890 -0.144 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)c1cnn2c1OCCC2 1790369061 JSWDYQBUXSOGIB-MXAVVETBSA-N 412.874 -0.141 50 20 HBGD O=C1CCc2ccc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@@H](O)CCl)nc2N1 1792976743 LXRBMMORPGKUDL-LMWOUKEDSA-N 422.869 -0.231 50 20 HBGD O=C(CN1CCOC1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2 1793163557 BKAIWEVHZJFAOX-GNXNZQSNSA-N 404.261 -0.187 50 20 HBGD C[C@@](O)(C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2)C(F)(F)F 1793931048 ZNEWAPHGOJDXAN-UMPJEAMMSA-N 414.189 -0.069 50 20 HBGD Cc1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)cnn1C 1794896840 ZFAFPCQACTZXHN-ZSBFGKGUSA-N 406.487 -0.695 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CNC(=O)C1)C2 1796893807 VRMPVLGMUAOQDO-GXWVAJNWSA-N 414.466 -0.105 50 20 HBGD CCNC(=O)N[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1798380731 CTGBSCPSZFTPIJ-VDNDLQMASA-N 416.287 -0.674 50 20 HBGD CN[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Br)C(=O)O 1799346475 RLKSKBKXBRMXRP-SRHMGVCXSA-N 410.240 -0.671 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1[C@H]2C=CS[C@H]21 1800257608 VAMIVIKHGBKNMD-PKSYTIITSA-N 408.524 -0.176 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839143629 BYZYEERGILKCNQ-VQIMIIECSA-N 424.690 -0.546 50 20 HBGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)COCCO)CCO2 1839193063 HCRCRJRIEAZXFP-OAHLLOKOSA-N 409.277 -0.763 50 20 HBGD CC(=O)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839203051 YDVLCJQYVOYKDT-DZGCQCFKSA-N 424.267 -0.341 50 20 HBGD Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)no1 1840366781 UGDJHFFVGFXMTJ-RHSMWYFYSA-N 401.847 -0.418 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCCC12CN(C(=O)CN1CCS(=O)(=O)CC1)C2 1844377420 ZJHSZMDVFOGSNB-UHFFFAOYSA-N 417.604 -0.228 50 20 HBGD CC(C)NC(=O)C(=O)NNC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 726615090 XQPBYGWHFFEYSU-UHFFFAOYSA-N 411.267 -0.056 50 20 HBGD Cc1ccc(C(=O)N2CCC[C@@H](C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)C2)cc1 729275108 LDUQRGMKFFNOFR-DZGCQCFKSA-N 410.496 -0.068 50 20 HBGD C[C@@H]1CN(CCC(=O)NNC(=O)CCCS(=O)(=O)N2CCCC2)C[C@@H](C)O1 732263119 JXUZGWBCFRBBIA-HUUCEWRRSA-N 404.533 -0.161 50 20 HBGD CN(CCCC(=O)NNC(=O)C(=O)NC1CC1)C1=NS(=O)(=O)c2ccccc21 742036829 QWIIEYCWIZDXSB-UHFFFAOYSA-N 407.452 -0.727 50 20 HBGD Cc1nc2ccccn2c1C(=O)NNC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 742489551 SKFCVASERHHCRN-MPTQWLOMSA-N 411.418 -0.044 50 20 HBGD C[C@@H]1C[C@H](NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C(=O)N1c1cnn(C)c1 743512412 VKTQLDCDWUVCOK-ABAIWWIYSA-N 424.425 -0.466 50 20 HBGD Cn1cc(N2CCN(CC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)CC2=O)cn1 750057241 QAAGEDAUSYRUHW-UHFFFAOYSA-N 401.383 -0.562 50 20 HBGD CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NNC(=O)CO)c([N+](=O)[O-])c1 753444937 SAOHDVWBQYVUIJ-UHFFFAOYSA-N 404.401 -0.856 50 20 HBGD Cc1cccc(C(=O)NNC(=O)COC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)c1 756752135 SFPRLEDABKCBTD-LBPRGKRZSA-N 423.451 -0.600 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H](CC(F)F)NC(=O)OC(C)(C)C 758040391 PCQGRTDSUVBMPD-SFYZADRCSA-N 402.420 -0.380 50 20 HBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc(Br)c1 764003130 YZPZXPOKTGKFAE-MRVPVSSYSA-N 404.242 -0.030 50 20 HBGD Cc1c(Br)cccc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 764226256 HGMWQDVIILFPQB-QMMMGPOBSA-N 421.273 -0.219 50 20 HBGD CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNc1nccc(OC)n1)CC2 773726177 KERNBXBMZGJKKF-UHFFFAOYSA-N 406.424 -0.574 50 20 HBGD CCONC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 776216202 PCHGHYFCCWZPRV-UHFFFAOYSA-N 400.457 -0.078 50 20 HBGD CCOC(=O)/C=C\c1ccc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)cc1 783998825 HQVVKSBAXBIGHJ-YFHOEESVSA-N 402.407 -0.029 50 20 HBGD Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 915686428 XPVUFLJOMBAHFC-JSGCOSHPSA-N 410.431 -0.513 50 20 HBGD C[C@H]1CN(c2ccc(C(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)cn2)C[C@@H](C)O1 1317958960 JTDFXXFVURBXPG-MBNYWOFBSA-N 411.484 -0.174 50 20 HBGD CN[C@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](Cl)COC)C1)C(=O)O 1782170354 IZWSBKHSYMXVHU-UHQDVWGKSA-N 419.906 -0.183 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3cc(=O)n4[nH]cnc4n3)CCO2)C1 1783875551 OFUBYZUUAXJPDD-PIGZYNQJSA-N 424.845 -0.885 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CC(O)C3)[C@H]2C1 1783998687 BWBFVJGOKLNHRZ-JIMPKYJGSA-N 417.466 -0.951 50 20 HBGD CNCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1795591590 ILWWQPYOUAKVHY-SNOXVSQISA-N 418.498 -0.290 50 20 HBGD CC(C)(C)OC(=O)N[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Cl)C2 1799681070 MYIYONWRZIVCIJ-UYNYGYNWSA-N 409.842 -0.047 50 20 HBGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccncc1=O)C2 1800762075 MVKHMCVWVCWRJW-MCYUEQNJSA-N 413.272 -0.384 50 20 HBGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCNC(=O)C1)C2 1800762994 MHTLTHFHEYHOEQ-GCQYFTOKSA-N 402.289 -0.114 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)c1cccn1C)C2 1801012104 CYCWWHUHZZJVHW-ZSBFGKGUSA-N 419.482 -0.830 50 20 HBGD O=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)=NN1 1817472521 UZDSKLWXXQFDOG-OAHLLOKOSA-N 424.226 -0.729 50 20 HBGD O=C([C@H](O)CCl)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)CC1 1824899355 RVWVKYDOYUPINN-ZIAGYGMSSA-N 414.890 -0.242 50 20 HBGD CN(C)C(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1830048751 GJPRTNFIIABXOT-OAHLLOKOSA-N 411.286 -0.482 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCOCC3)CCO2)C1 1835397597 UHHICTBMNCRIKF-MAUKXSAKSA-N 419.906 -0.971 50 20 HBGD O=C(c1cc2ncccn2n1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1836866243 BTECKPUUVPSFBH-KBXCAEBGSA-N 423.857 -0.601 50 20 HBGD O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837559765 GYMQTRXEGLUNAQ-GXCPCUBXSA-N 413.858 -0.245 50 20 HBGD CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1839880951 HILMTELGMQJVGA-HSMVNMDESA-N 420.304 -0.249 50 20 HBGD C[C@H](Br)C(=O)N1CC2(CCCN2C(=O)CN2CCS(=O)(=O)CC2)C1 1841895019 QZPPCOGQWXHNAG-LBPRGKRZSA-N 422.345 -0.296 50 20 HBGD CC(=O)O[C@H](C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2)C(C)C 1844162456 WJZFQNJNDCIAIP-KRWDZBQOSA-N 402.256 -0.229 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1cnc3ncccn13)C2 1844264437 SLHDWFAXLGALOE-UHFFFAOYSA-N 420.433 -0.141 50 20 HBGD COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NNC(=O)[C@H]3COCCO3)cc2)[nH]1 744644274 UFMZLOBCQJHUJF-CQSZACIVSA-N 404.379 -0.943 50 20 HBGD C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNC(=O)c1cc(Br)c[nH]1 755065573 SIWWXJPZZSOURQ-ZETCQYMHSA-N 419.261 -0.361 50 20 HBGD CN(CCCC(=O)NNC(=O)Cc1cc[nH]n1)C1=NS(=O)(=O)c2ccccc21 755284452 BFGMTQXVJLBIQV-UHFFFAOYSA-N 404.452 -0.039 50 20 HBGD CCOC(=O)/C=C\c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 764001694 CAPLKEZSAZVSTL-UJZCVKTISA-N 423.447 -0.217 50 20 HBGD CCC(CC)NC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)CN(C)C)c2ccccc2O1 764212755 QKLNTGLAZVTKGR-MRXNPFEDSA-N 419.482 -0.206 50 20 HBGD Cc1cc(C)n(-c2cccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c2)n1 764228676 ZSJYFZGCBMYTBI-GFCCVEGCSA-N 422.467 -0.487 50 20 HBGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1 764426138 TWSXPAHBMJENRN-LBPRGKRZSA-N 422.419 -0.617 50 20 HBGD CN(CC(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 765417962 LNDPWJBYCRPGNG-LBPRGKRZSA-N 406.505 -0.442 50 20 HBGD NC(=O)CSCC(=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 766663784 NSXWLPLQJKTXAZ-UHFFFAOYSA-N 413.931 -0.177 50 20 HBGD CN1CCC[C@H]1C(=O)N1CCN(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 767037955 KMZIQOLWNREYMJ-INIZCTEOSA-N 418.454 -0.406 50 20 HBGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)o1 915190584 KKEAAGPLNHWPQD-UHFFFAOYSA-N 405.392 -0.491 50 20 HBGD CC1CCC2(CC1)NC(=O)N(CC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)C2=O 919883647 FJUXVNDAXUYPSB-CSJGVYOVSA-N 415.472 -0.995 50 20 HBGD CCn1nc(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)ccc1=O 1160865600 TUEGEWYDDAILSA-UHFFFAOYSA-N 421.483 -0.649 50 20 HBGD N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1 1779032823 WUXHEEAAOBIPHP-HXUWFJFHSA-N 423.433 -0.358 50 20 HBGD CC[C@H](NC(N)=O)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781331132 LNICPGMJBYEILO-BHDSKKPTSA-N 409.256 -0.046 50 20 HBGD Cc1cnn([C@H](C)C(=O)N2CC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1 1784456321 UJUXSVBXOHYNGK-UZLBHIALSA-N 420.514 -0.045 50 20 HBGD O=C(CN1CC(=O)NC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(Cl)Cl)C[C@@H]21 1785032191 UOXQPVJSPKRJGT-GUBZILKMSA-N 407.254 -0.678 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CC3(F)F)[C@H]2C1 1788128811 SPLBIXMBLIFZEC-HPEDKQMDSA-N 423.420 -0.066 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cncs1 1794913357 YYCRWNCTFIFKRY-YWVIFJGQSA-N 401.253 -0.660 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cnnn1 1796295727 MLROJFWVPRCUGL-ZVMOGAGKSA-N 413.442 -0.555 50 20 HBGD CC[C@@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2 1796321731 ZDGXZSAMTNYWCO-RCZSTQMZSA-N 409.256 -0.287 50 20 HBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCN(C)CC1)C2 1800978213 OFTPLIGAASFCGQ-IVSAIRAKSA-N 402.923 -0.923 50 20 HBGD O=C(NC[C@@H]1CCN(C(=O)[C@H]2C[C@@H](O)C2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807365179 WVGXUTCTRAKBCA-RAUXBKROSA-N 423.278 -0.148 50 20 HBGD O=C(CN1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830722571 DKJMQMNKOCWHGN-MAUKXSAKSA-N 403.907 -0.472 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)CNC(N)=O)CC2)CC1 1838785280 AAUUXWTXCYTAJT-CQSZACIVSA-N 404.895 -0.093 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H](NC)C(=O)O)C2)C1 1839144339 VPKNYPDNXUXYST-OGHNNQOOSA-N 405.879 -0.477 50 20 HBGD CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841351330 RVZGFVCXBUURDC-NWDGAFQWSA-N 405.879 -0.325 50 20 HBGD CCn1c(=O)nc(O)c2c(C(=O)NNC(=O)C(=O)N3CCCC3)cc(C3CC3)nc21 748241141 QEODVPDIARNXOW-UHFFFAOYSA-N 414.422 -0.222 50 20 HBGD CCS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)CNC(=O)c2ccco2)cc1 751281458 DKXLSHXPZQFVRN-UHFFFAOYSA-N 415.449 -0.187 50 20 HBGD CC(C)NS(=O)(=O)c1ccc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 755517808 QJWALAOFZNEIMH-NSHDSACASA-N 418.497 -0.039 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 755641148 MBSGOXCKPQFELU-ZWNOBZJWSA-N 413.456 -0.106 50 20 HBGD C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)NNC(=O)CNC(=O)c1ccco1)C2=O 756964414 BBFDNMFSLOUOKL-RYUDHWBXSA-N 419.438 -0.097 50 20 HBGD Cn1c(=O)c2cc(NC(=O)C(=O)NNC(=O)CC3CCCC3)cnc2n(C)c1=O 764188542 PTIFZPGPIMBFKU-UHFFFAOYSA-N 402.411 -0.702 50 20 HBGD CC(C)(C)OC(=O)N1CC(OCC(=O)NNC(=O)CNC(=O)c2cccnc2)C1 764344557 ZJOBNVZVYFRAMH-UHFFFAOYSA-N 407.427 -0.405 50 20 HBGD CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(-n2cncn2)cc1 764815690 CVFZUNPOUZCKKX-UHFFFAOYSA-N 421.421 -0.445 50 20 HBGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)CNC(=O)Cc2ccc(O)cc2)c1 765368391 XPRXCJJUYOIPLG-UHFFFAOYSA-N 405.432 -0.084 50 20 HBGD Cc1noc(C2CCC(=NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)n1 797401130 BQWBAPFFFBJLKA-UHFFFAOYSA-N 414.426 -0.045 50 20 HBGD CC(C)NC(=O)C(=O)N1CCN(CC(=O)NNC(=O)c2cccc(Cl)c2)CC1 800724167 WDEGUDSDJFMBAU-UHFFFAOYSA-N 409.874 -0.230 50 20 HBGD COCN1C(=O)CCc2cc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)ccc21 801782397 ICWNQUHGZOCOCV-JTQLQIEISA-N 413.456 -0.340 50 20 HBGD CCOCCS(=O)(=O)NCC(=O)NNC(=O)c1cc(Br)ccc1O 810449312 MDLGLUGCVTUWAT-UHFFFAOYSA-N 424.273 -0.128 50 20 HBGD Cc1csc(CC(=O)NNC(=O)CN2CCCN(CC(=O)N3CCCC3)CC2)n1 912950466 YLBJNSBJCKZGGG-UHFFFAOYSA-N 422.555 -0.228 50 20 HBGD CN(C)N(C(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1)[C@@H]1CCS(=O)(=O)C1 913126062 GDVZLKFQFIDDDU-UKRRQHHQSA-N 411.459 -0.262 50 20 HBGD CC(C)(C)NC(=S)NNC(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21 914881360 CVHYDJYJFCKVDB-UHFFFAOYSA-N 401.470 -0.464 50 20 HBGD COC(=O)c1cn(CC(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c2ccccc12 919886042 SSFOOWOGHWTGEY-LLVKDONJSA-N 408.436 -0.055 50 20 HBGD CC(C)C(=O)NNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 1317716249 AAGWMDLSAKWUQE-CYBMUJFWSA-N 405.498 -0.428 50 20 HBGD COCCO[C@@H]1COCC[C@@H]1NC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 1320566267 IGFVKOVIXVFGMA-LSDHHAIUSA-N 419.438 -0.302 50 20 HBGD C[C@@H]1CC[C@H](C(=O)N2CC[C@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)O1 1778198314 HXHMFKHZFSOXSO-OWDMVUQNSA-N 417.466 -0.304 50 20 HBGD COC(=O)C1(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)CC1 1783937975 ZQVFBEQTNKYDJA-SFHVURJKSA-N 410.471 -0.858 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3C[C@@]3(F)Cl)C[C@@H]21)c1ccc(B(O)O)cc1 1786983909 VZIYPNKQOYXHED-AFFGTUGMSA-N 424.665 -0.116 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3C[C@]3(F)Cl)C[C@@H]21)c1cccc(B(O)O)c1 1786986632 SDURTZWOWWOVNS-XMFUBXPQSA-N 424.665 -0.116 50 20 HBGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCBr)n1cnnn1 1795117104 MZTZLJGOFQXGIL-HNCHTBHHSA-N 401.265 -0.391 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(F)(F)C(F)F)C2)c1cccc(B(O)O)c1 1795737655 GLUQYJIAXLKYAF-PTEHBNRSSA-N 418.152 -0.530 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cscn1 1795803542 VHCFGNZELNLQKL-IVWMJMPLSA-N 409.512 -0.352 50 20 HBGD C[C@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@H](N)C(N)=O)C2 1799274811 IGDMBLPXYGEFQM-JZHJWMIFSA-N 409.314 -0.595 50 20 HBGD O=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)=NN1 1834823288 MONNZPJCSKVGDB-OAHLLOKOSA-N 417.260 -0.896 50 20 HBGD CC(C)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)CS(C)(=O)=O)CCO2)C1 1835250291 MUKBHOSJUJMRBN-MRXNPFEDSA-N 410.920 -0.248 50 20 HBGD CC(C)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1835480309 NGDGCBBOPFGTCO-IBGZPJMESA-N 408.235 -0.816 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCC(=O)N3C)CCO2)C1 1839216297 MLNYONMQEKWQLU-GLJUWKHASA-N 417.890 -0.683 50 20 HBGD CN1CCN(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(Cl)Cl)CCO3)CC1 1840188449 KILMYJYIRXZTKW-KRWDZBQOSA-N 423.341 -0.506 50 20 HBGD CCCNC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013115 KOIWHWUGNHLCSD-UHFFFAOYSA-N 401.272 -0.510 50 20 HBGD C[C@H](NC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12)[C@@H](C)N1CCOCC1 729622866 CLFNZOXMZUYKMX-QWHCGFSZSA-N 402.455 -0.013 50 20 HBGD COc1ccc(C(=O)NNC(=O)NCCC(=O)N2CCN(C(C)=O)CC2)cc1OC 730821669 PGUXXSBLAZZOFI-UHFFFAOYSA-N 421.454 -0.271 50 20 HBGD O=C(NCCCN1C(=O)CNC1=O)NNC(=O)c1nn(-c2ccccc2)cc1O 731046205 BALVTKRKKQGGAM-UHFFFAOYSA-N 401.383 -0.536 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)C(=O)NC(C)C 744440112 SUOKMCGJCBABLH-UHFFFAOYSA-N 412.468 -0.698 50 20 HBGD O=C(CCOc1ccccc1)NNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 747181421 ZDTNBJAMLSGOCU-ZDUSSCGKSA-N 422.463 -0.232 50 20 HBGD CCOC(=O)N1CCN(S(=O)(=O)NNC(=O)c2cc(OC)cc(OC)c2)CC1 755959138 VRCMLLRLCWVWJR-UHFFFAOYSA-N 416.456 -0.043 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2cccc3c2ccn3C)n(C)c1=O 756317230 VCYMMJMHSXTYFH-UHFFFAOYSA-N 424.421 -0.222 50 20 HBGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cccc(OCC(N)=O)c2)cc1 763661925 QVAGJZMSUDKAEW-UHFFFAOYSA-N 416.390 -0.276 50 20 HBGD C[C@@H](C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)S(=O)(=O)C1CCOCC1 765551715 HMPAAHKJSAONMP-NSHDSACASA-N 422.504 -0.176 50 20 HBGD CCNC(=O)N(C)NC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 780712742 WVSYGDUWSPGUML-UHFFFAOYSA-N 411.484 -0.155 50 20 HBGD C[C@@H](CNC(=O)C(=O)NNc1ncc(C(F)(F)F)cc1Cl)S(N)(=O)=O 782853581 DZTQKOFXOLUBFK-YFKPBYRVSA-N 403.770 -0.010 50 20 HBGD Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)NNC(=O)[C@H]1COCCO1 799258990 MEJMDOMADNOHBG-HUUCEWRRSA-N 420.422 -0.894 50 20 HBGD COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)NNC(=O)[C@H]1COCCO1 806736298 JCEOSRYBZSTWEI-CQSZACIVSA-N 417.440 -0.317 50 20 HBGD CC(C)n1nc(C(=O)NNC(=O)Cn2cnc([N+](=O)[O-])n2)c2ccccc2c1=O 918548407 CSUJFPVXJFMEEX-UHFFFAOYSA-N 400.355 -0.062 50 20 HBGD Cc1nc2ccccn2c1C(=O)NNC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 919694287 UGWUETZJUKPOTL-UHFFFAOYSA-N 409.406 -0.393 50 20 HBGD C[C@H](C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(S(C)(=O)=O)cc1 1319164174 NZGJZHJTGSLXCW-CMPLNLGQSA-N 403.482 -0.289 50 20 HBGD CS(=O)(=O)CC[C@H](C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1 1321422039 YQRWKNWTOCZMDY-KGLIPLIRSA-N 417.509 -0.278 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCCOC3)C[C@@H]21)c1ccc(B(O)O)cc1 1786982166 PQXPBJHZWVAMSF-CAMMJAKZSA-N 416.283 -0.614 50 20 HBGD C[C@H](Nc1cnccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1788622393 PSVALDPWCSZLIV-YTFOTSKYSA-N 411.890 -0.144 50 20 HBGD CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Cl)C2 1792887957 NHHDGZNYEABLCV-NZEXEKPDSA-N 423.869 -0.004 50 20 HBGD O=C1NCc2cc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@H](O)CCl)ccc21 1792981866 YDMINTFRJAQFNF-OCVGTWLNSA-N 407.854 -0.267 50 20 HBGD O=C(CN1CCOC1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2 1793165171 IMGVBAZBHDNTOB-RBLKWDMZSA-N 408.224 -0.281 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cscn1 1794795694 IXLCBUMJCPTWGE-YWVIFJGQSA-N 401.253 -0.660 50 20 HBGD C[C@@H](Cn1cncn1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796188899 YXVPDDSLCIXFKA-RUGDWHBFSA-N 411.271 -0.454 50 20 HBGD CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1799395845 KRGOHOSGRRMMLQ-ZXFNITATSA-N 411.503 -0.250 50 20 HBGD C[C@H](NC=O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1 1820880191 BMSLLHZEPCEHSP-JSGCOSHPSA-N 407.475 -0.091 50 20 HBGD CN(C)C(=O)NCC(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833306654 VSFATXOTPPCTOV-OAHLLOKOSA-N 417.938 -0.571 50 20 HBGD CN(C)CC(=O)NC1CCN(C2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834462103 BCWOBPFNOKINJN-UHFFFAOYSA-N 416.331 -0.887 50 20 HBGD CCOC(=O)N[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1837206750 PVNBPGZHTFHIHI-RWSFTLGLSA-N 411.814 -0.958 50 20 HBGD CC[S@](=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837234621 JBWZPJMWARCGIS-IFGOVRLMSA-N 410.920 -0.799 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cnnn3)C2)C1 1839152157 PMSRBRVAEPYLEC-GJZGRUSLSA-N 421.285 -0.634 50 20 HBGD C[C@@H](CBr)C(=O)N1CCCC12CN(C(=O)[C@H](O)N1CCOCC1)C2 1841287951 PQLRFEHNFMPLOY-JSGCOSHPSA-N 404.305 -0.129 50 20 HBGD CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847507346 IDHHPNDDMJFMGW-WUHRBBMRSA-N 405.879 -0.327 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc(Cl)ccc2O)n(C)c1=O 10623626 HQNXDYZNJKEYRB-UHFFFAOYSA-N 406.786 -0.746 50 20 HBGD CC(C)NC(=O)C(=O)NNC(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl 726614861 VLFCDJDDKLPTTP-UHFFFAOYSA-N 411.267 -0.056 50 20 HBGD Cn1cc(N2CC[C@@H](NC(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)C2=O)cn1 735512708 PINVNEBRZFEVDJ-CQSZACIVSA-N 410.398 -0.855 50 20 HBGD C[C@H](C(=O)NNC(=O)c1ccc2c(c1)OCCO2)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 742242798 LOXPDSHHSUFXIG-FBVUGSABSA-N 415.402 -0.230 50 20 HBGD COCCO[C@H](C)C(=O)NNC(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1 748632374 PEXAOZHZQQYEBL-GFCCVEGCSA-N 402.473 -0.036 50 20 HBGD COc1cc(C(=O)NNC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)cc(OC)c1OC 753563491 JCZFKPGJLRJUCJ-LBPRGKRZSA-N 415.468 -0.408 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2cnc([C@@H]3CCCO3)s2)n(C)c1=O 755789890 LKNFRGKLSJKNAY-NSHDSACASA-N 417.451 -0.108 50 20 HBGD Cc1ccccc1CC(=O)NNC(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21 763689690 PWJIGSPZJBFXJB-UHFFFAOYSA-N 418.431 -0.060 50 20 HBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccccc1S(=O)(=O)N1CCCCC1 764317593 LWKYEJLQENVMAI-UHFFFAOYSA-N 412.468 -0.016 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@@H]3CCN(C)C3)CC2)cc1 766636689 RJJOBHMICMQGDF-MRXNPFEDSA-N 423.539 -0.600 50 20 HBGD C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)NNC(=O)C(=O)N1CCCC1 802526691 FPXHHTRUEGNUIN-ZDUSSCGKSA-N 411.484 -0.304 50 20 HBGD O=C(COc1ccc(F)cc1)NNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 914878897 ROLHDTUCJORNCF-AAEUAGOBSA-N 413.427 -0.613 50 20 HBGD COc1cccc(C[C@H](C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)n2nnnc2C)c1 915685538 BQSHSEPSHNAIRV-UKRRQHHQSA-N 422.467 -0.644 50 20 HBGD CCc1ccccc1OCC(=O)NNC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 919743269 MZJYMPQKOATALZ-UHFFFAOYSA-N 413.434 -0.022 50 20 HBGD C[C@@]1(NNC(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)CCS(=O)(=O)C1 1321725041 MFMXMOASVDOTQU-GOSISDBHSA-N 423.495 -0.860 50 20 HBGD COC[C@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1779315521 DEDCVZURYDAOIQ-XJKSGUPXSA-N 420.304 -0.248 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781333650 IMBUBNFACZBVBB-UKRRQHHQSA-N 423.283 -0.120 50 20 HBGD Cc1ncncc1C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783935342 MWYRIPIYVZQJJX-LJQANCHMSA-N 404.471 -0.398 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCCCN3C)[C@H]2C1 1784114468 QABYLNBSORRFHK-FJIDUMEYSA-N 423.558 -0.177 50 20 HBGD CCO/C=C/C(=O)N1CC[C@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1784229041 DKCYYRNHUFABMP-QFXLTXBMSA-N 403.439 -0.321 50 20 HBGD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)ccc1O 1795739908 ONBKTOAUAORWRB-XEMDLRDOSA-N 424.262 -0.103 50 20 HBGD CS(=O)(=O)CC(=O)N1CC[C@H](CNC(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1 1803138633 LWRHJFBZVSMIFI-IPYPFGDCSA-N 403.888 -0.268 50 20 HBGD O=C(NC[C@@H]1CCN(C(=O)CN(CCO)CCO)[C@H]1c1cccnc1)[C@H](F)Cl 1808322487 TZPWMEXUNNKRTQ-XIRDDKMYSA-N 416.881 -0.092 50 20 HBGD CC[S@](=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830732127 UXOLDVDRGPEASB-JDOLQQSESA-N 410.920 -0.799 50 20 HBGD NC(=O)[C@H](N)CCC(=O)NC1CCN(C2CCN(C(=O)C(Cl)Cl)CC2)CC1 1834736587 VOJPPOCJXDKQFY-CYBMUJFWSA-N 422.357 -0.046 50 20 HBGD N=C(N)SCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1835644061 QZDHRDJHMUAAEN-ABAIWWIYSA-N 408.908 -0.941 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCn3ccnn3)C2)C1 1840155838 DHIPVFCGYSUOJU-YOEHRIQHSA-N 415.878 -0.622 50 20 HBGD CC(C)N1CCC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840581486 CVZFBLALLSHDQN-BXWFABGCSA-N 417.934 -0.085 50 20 HBGD CCOc1ccc(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1OCC 728509701 LNYVROVLPQPWNQ-JTQLQIEISA-N 409.486 -0.269 50 20 HBGD NS(=O)(=O)c1ccccc1S(=O)(=O)NNC(=O)[C@@H]1COc2ccccc2O1 741650220 YSCOFQMZEDURPB-LBPRGKRZSA-N 413.433 -0.517 50 20 HBGD O=C(CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NNC(=O)COCc1ccccc1 742694755 NSZWYPUHTQNTLV-DTTOXWODSA-N 401.419 -0.097 50 20 HBGD Cc1cccc(C(=O)NNC(=O)COC(=O)CNS(=O)(=O)c2cnn(C)c2)c1 744735104 RDGRBKRQNBQAEE-UHFFFAOYSA-N 409.424 -0.989 50 20 HBGD CC(C)n1nccc1NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 755442002 LPSRATAXJPUVKN-UHFFFAOYSA-N 403.403 -0.936 50 20 HBGD C[C@@]1(c2ccc(C(=O)NNC(=O)CNC(=O)c3cccnc3)cc2)NC(=O)NC1=O 764343873 TUJHMVFUBWRZAW-IBGZPJMESA-N 410.390 -0.673 50 20 HBGD CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NNC(=O)CNC(=O)c1ccco1 810308511 CRBQSBLTSJJXSG-CYBMUJFWSA-N 404.427 -0.347 50 20 HBGD Cc1ccc(S(=O)(=O)NCC(=O)NNC(=O)CNC(=O)c2cccs2)cc1 810308992 NSEFONQSTUFRNK-UHFFFAOYSA-N 410.477 -0.088 50 20 HBGD CN(C)C(=O)CNC(=S)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 918715898 LCPSMUBURLXZNH-UHFFFAOYSA-N 413.525 -0.332 50 20 HBGD CC(C)=C[C@@H]1[C@H](C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1(C)C 920489225 JJRIQIGHIXGAPE-DGCLKSJQSA-N 402.455 -0.181 50 20 HBGD O=C(C1=COCCC1)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1784001821 HYNVLGUVERGOEM-FQEVSTJZSA-N 400.240 -0.496 50 20 HBGD C[C@H](Cn1ccnc1)C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1784507479 VXMZIRGMOUQKEC-UZLBHIALSA-N 420.514 -0.278 50 20 HBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CC(=O)C3)C[C@@H]21 1788611469 ZJDSSUDGZBDETN-GOPGUHFVSA-N 415.450 -0.743 50 20 HBGD CC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(CCO)CCO)[C@H]2C1 1790910845 JSWVTBPOKONSET-VGWMRTNUSA-N 405.923 -0.730 50 20 HBGD CN[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CBr)C(=O)O 1792867414 ABPWQGZOCGZFQH-VXUPGSCNSA-N 420.304 -0.330 50 20 HBGD Cc1cccnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1793528344 VKUOAAOBCVUIKK-HGKCTWBKSA-N 409.251 -0.413 50 20 HBGD C[C@H](CC(N)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1793662434 BZPOHXVWVCOKSD-FVCCEPFGSA-N 402.455 -0.552 50 20 HBGD Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)on1 1793888020 JTTOMBXTQUSNOP-CCWDJLKJSA-N 413.239 -0.891 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)c1ccccc1)C2)c1ccc(B(O)O)cc1 1795732524 QKXKOUAETWNRIV-IZZQQSIFSA-N 422.246 -0.548 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCCCC1)C2)c1cccc(B(O)O)c1 1795737470 KHETZANKRHIGGP-XEMDLRDOSA-N 415.299 -0.945 50 20 HBGD O=C([C@H](O)CCl)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)c1ccco1)CCO2 1829814497 SCHPZLUEOGKVAD-IFIJOSMWSA-N 402.831 -0.631 50 20 HBGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]n3)C2)C1 1830538264 AFEYZXYZKZXEFO-IAQYHMDHSA-N 416.276 -0.094 50 20 HBGD Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c(O)n1 1830730901 FRCLKWYFZOONKF-KSSFIOAISA-N 413.858 -0.235 50 20 HBGD O=C(c1cnn2cccnc12)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1836843573 QAJRQLSISFJHFL-KSSFIOAISA-N 423.857 -0.601 50 20 HBGD O=C(c1ccc2nn[nH]c2c1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839628319 ZGDFGRQXVIUFMU-QAPCUYQASA-N 423.857 -0.372 50 20 HBGD C[C@H](CBr)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CNCP(=O)(O)O 1847499532 ISXLWAZIXNQQLD-VWYCJHECSA-N 412.221 -0.056 50 20 HBGD CN1N=C(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CCC1=O 16231612 KRHANZUOJHOYPH-UHFFFAOYSA-N 407.452 -0.160 50 20 HBGD Cc1nc(S(=O)(=O)NCCC(=O)NNC(=O)Cn2cnc3ccccc32)cn1C 726767373 RUYINERFNUDGIJ-UHFFFAOYSA-N 419.467 -0.406 50 20 HBGD CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 728022201 MRMREGYSJWFKNR-WJQOWHFOSA-N 404.514 -0.238 50 20 HBGD O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NNC(=O)CNC(=O)c1cccs1 751211526 SNHFGHIVOOIQTO-UHFFFAOYSA-N 421.460 -0.636 50 20 HBGD COCCNS(=O)(=O)c1ccc(NC(=O)NNC(=O)[C@H]2COCCO2)cc1 756785008 RQFGOLRCDGYYIT-CYBMUJFWSA-N 402.429 -0.821 50 20 HBGD CC(=O)N1CCN(C(=O)CCNC(=O)NNC(=O)CSc2ccccc2O)CC1 763495362 DIGANLUAWJVPKY-UHFFFAOYSA-N 423.495 -0.105 50 20 HBGD CC(C)(C)OC(=O)NCC(=O)NNS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 777938999 IHPVADPPFNJUNH-UHFFFAOYSA-N 400.413 -0.148 50 20 HBGD CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 799857036 OYOMKEYKEHXFFM-TZMCWYRMSA-N 422.471 -0.676 50 20 HBGD CC(C)[C@H](C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)N1C(=O)c2ccccc2C1=O 920746033 QKGAABNHXYBQAG-SMDDNHRTSA-N 422.463 -0.175 50 20 HBGD N=C1NCCN1CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781330483 AYPRVEZTKVIFAR-FZMZJTMJSA-N 406.256 -0.653 50 20 HBGD Cc1nnc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)CCl)C[C@@H]32)s1 1787056637 PAOCABXGWKPAII-RVMXOQNASA-N 402.904 -0.032 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccoc1)C2)c1cccc(B(O)O)c1 1795737207 DIXJADAZDUCORR-IRCDVLGRSA-N 410.235 -0.124 50 20 HBGD CC[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796439717 YHPBJGFKTUFEDR-GPMNNEHHSA-N 405.455 -0.519 50 20 HBGD O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1797810237 MIFGLJIWWUWCEE-YWBYPPGRSA-N 403.863 -0.295 50 20 HBGD CC(=O)N(C)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798439560 IYLKUVFPMOQVPG-QDMKHBRRSA-N 416.482 -0.195 50 20 HBGD CN1C(=O)CC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2 1799375052 YRTLLJFGTNKZIZ-CWUQZGLOSA-N 406.252 -0.113 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCCn1ccnc1 1801307101 HTUWNCGCZXFPNE-CWPLJXCYSA-N 420.514 -0.374 50 20 HBGD Cc1ccn(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)n1 1830726179 OXIJJTWNSGPEBW-RHSMWYFYSA-N 400.863 -0.752 50 20 HBGD Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)on1 1832563121 CWEFWDHJQZCSJT-RHSMWYFYSA-N 401.847 -0.418 50 20 HBGD Cc1cc(C)n(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)n1 1833035870 UCLLEJDISFDRBB-QAPCUYQASA-N 414.890 -0.444 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)C3=NNC(=O)C3)CC2)CC1 1835703549 SVSVRFZCPNGATF-CQSZACIVSA-N 413.906 -0.312 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@H]3F)C2)C1 1837459294 BICNYXJSUODIBF-OHNRDTAOSA-N 421.429 -0.887 50 20 HBGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)n1cnnn1)CCO2 1840478744 ADJHHKKOAPLNEG-XEZPLFJOSA-N 400.867 -0.292 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)COC(=O)C(F)(F)F)C1 1844206273 VGYBQWXGRGQKSS-UHFFFAOYSA-N 414.145 -0.711 50 20 HBGD O=C(CNS(=O)(=O)c1ccccc1C(F)(F)F)NNC(=O)C(=O)NC1CC1 726617334 QKZODGJELCWCDZ-UHFFFAOYSA-N 408.358 -0.590 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1 729275956 TXTDYDFSFFGUSE-SNVBAGLBSA-N 418.497 -0.926 50 20 HBGD Cn1cc(C(=O)NNC(=O)[C@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)cn1 735446172 AWDODXCEPLTZQA-YXMGTMDOSA-N 410.434 -0.016 50 20 HBGD C[C@H](C(=O)NNC(=O)COCc1ccccc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 744369025 QJYRUNMQINCXPM-RYECPLHJSA-N 401.419 -0.099 50 20 HBGD CCN(CC)S(=O)(=O)N1CCN(CC(=O)NNC(=O)c2cccc(C)c2)CC1 744385785 OQTCKGFJUUAGHX-UHFFFAOYSA-N 411.528 -0.040 50 20 HBGD CCS(=O)(=O)N1CCC[C@H](C(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)C1 744843222 KGUPABOOSNWKLT-HNNXBMFYSA-N 422.463 -0.076 50 20 HBGD CC(=O)Nc1cncc(C(=O)NNC(=O)CCNS(=O)(=O)c2cccnc2)c1 746299784 KFXOCJVOMCNNGK-UHFFFAOYSA-N 406.424 -0.435 50 20 HBGD C[C@@H](CS(C)(=O)=O)C(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 746863105 SBTAQILNLJFEGA-LBPRGKRZSA-N 405.498 -0.169 50 20 HBGD C[C@H](C(=O)N1CCCC1)N1CCN(CC(=O)NNC(=O)c2cccc(C#N)c2)CC1 756047334 MPHIPYKCTGAOCF-MRXNPFEDSA-N 412.494 -0.052 50 20 HBGD Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 758048703 UMQGQGURFIWLHY-LBPRGKRZSA-N 410.500 -0.089 50 20 HBGD CCN(CC(=O)NNC(=O)c1ccc(F)cc1)CC(=O)N[C@@H]1CCS(=O)(=O)C1 762221632 GNZVGDCFOKPSHN-CQSZACIVSA-N 414.459 -0.788 50 20 HBGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cccc(C(N)=O)c1OC 763657525 OJQJTYGZQVFNAF-UHFFFAOYSA-N 416.390 -0.032 50 20 HBGD CC(C)(C)OC(=O)NCC(=O)NCC(=O)NNC(=O)CNC(=O)c1cccs1 766851468 SCJAMMWDWMZDAY-UHFFFAOYSA-N 413.456 -0.734 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@@H]2CCCCS2(=O)=O)cc1 771869165 VQYMDLSQAUQPDA-AWEZNQCLSA-N 417.509 -0.270 50 20 HBGD CS(=O)(=O)c1cccc(NNC(=O)NCCNS(=O)(=O)Cc2ccon2)c1 776627752 QOMZZWLTXIYSQG-UHFFFAOYSA-N 417.469 -0.176 50 20 HBGD COCCN(CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 779908162 YRMOIHJUPQQFQO-AWEZNQCLSA-N 414.440 -0.509 50 20 HBGD NC(=O)[C@H]1CCC[C@H](C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)C1 787125262 GUHNWDRPHDIJIP-IRXDYDNUSA-N 415.494 -0.117 50 20 HBGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)[C@H](CO)NC(=O)C(C)C)CC2)cc1 813487024 DHWSJBFUQHBJGN-SFHVURJKSA-N 419.526 -0.607 50 20 HBGD CSC[C@H](C)C(=O)N1CCC(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)CC1 1321356172 DCYGFDYUBTVXDL-WDEREUQCSA-N 408.546 -0.691 50 20 HBGD CCc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)n(C)n1 1783935455 UKYFXNQZMQXHDU-HXUWFJFHSA-N 420.514 -0.201 50 20 HBGD O=C(CCc1cnccn1)N1CC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1784558524 LXSUDTBAPRLUOJ-NRFANRHFSA-N 424.266 -0.767 50 20 HBGD Cc1cnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)cn1 1786984642 TYWVYZVLCKXCGS-IEZWGBDMSA-N 424.266 -0.628 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ccc(O)cc1 1789593733 FHHNYWLTZWRMSN-VDGAXYAQSA-N 424.262 -0.021 50 20 HBGD Cc1nnsc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795734140 FKQUMAQILBWJLJ-AGGWBTHJSA-N 416.268 -0.957 50 20 HBGD Cc1cccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)n1 1795737687 JVNOLUCUZMAZNW-UPHUGPLXSA-N 423.278 -0.484 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCS1)C2)c1cccc(B(O)O)c1 1795740644 FZXHEZPSZSLWGQ-YALNPMBYSA-N 404.297 -0.535 50 20 HBGD CSCC[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1801031425 XFOWCPOFQMCAFL-UMPJEAMMSA-N 416.544 -0.937 50 20 HBGD O=C(Cn1cncn1)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809966546 BOJJCQRBYWGSQA-UHFFFAOYSA-N 411.271 -0.497 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1813072756 FAZVMCJRCPWDFJ-YWZLYKJASA-N 415.450 -0.452 50 20 HBGD COC(OC)C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815335749 NYFHBXUHCADGJV-GFCCVEGCSA-N 419.268 -0.332 50 20 HBGD O=C(Cc1ccc(O)cn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830738833 VLZVHEQTFQYQTA-MAUKXSAKSA-N 413.858 -0.614 50 20 HBGD C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1831456389 JIHFTBWAJPPMPJ-LALPHHSUSA-N 414.883 -0.342 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc[n+]([O-])c3)CCO2)C1 1833279288 SGTCDJNNFGFELA-MAUKXSAKSA-N 413.858 -0.356 50 20 HBGD COCC(=O)NC1CCN(C2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1834476589 QPDQMOLZIVGGLH-UHFFFAOYSA-N 418.498 -0.483 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC[C@@H](N)C(N)=O)C2)C1 1839143863 JSXPRHLVCWVKQR-OGHNNQOOSA-N 404.895 -0.947 50 20 HBGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C=CCN3)C2)C1 1840032957 ORTMDHLLPZTVGS-WWGRRREGSA-N 402.289 -0.246 50 20 HBGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840044741 UQZJVQJZSWVYFM-LRDDRELGSA-N 417.256 -0.296 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3cncn3)C2)C1 1840156577 VZNGDYIWMLWEOP-KEYYUXOJSA-N 415.878 -0.451 50 20 HBGD O=C(Cc1ccccc1F)NNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 731330103 NVXTYJGPOHCYMR-LBPRGKRZSA-N 410.427 -0.319 50 20 HBGD C[C@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 736385948 CZXXOATYKNXFIU-QWHCGFSZSA-N 410.500 -0.059 50 20 HBGD COc1ccccc1NCC(=O)NNC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 743293730 JJGDNZVLKPNFPD-DTDBQYNISA-N 416.434 -0.193 50 20 HBGD O=C(NNC(=O)[C@H](c1ccccc1)N1CCC(O)CC1)N[C@H]1CCS(=O)(=O)C1 751461501 UBCHPMDHDNJPLU-HOCLYGCPSA-N 410.496 -0.298 50 20 HBGD C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)Cc1ccsc1 763050681 TVAIVZMYMIARAM-SNVBAGLBSA-N 410.477 -0.096 50 20 HBGD CNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)cc1 764169974 XSXRYHDACIHCBI-INIZCTEOSA-N 412.402 -0.099 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc(C(F)F)cc2)n(C)c1=O 765724509 KGUYQRIGWRJARW-UHFFFAOYSA-N 406.349 -0.168 50 20 HBGD CCN1CCN(c2cccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c2)CC1 771271700 FZHSALDSUMEGAM-ZDUSSCGKSA-N 412.516 -0.081 50 20 HBGD O=C(Cc1ccccn1)NNC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 776061375 IHJOLAXQMPOJHR-UHFFFAOYSA-N 420.451 -0.107 50 20 HBGD CN(C)S(=O)(=O)c1cc(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)n(C)c1 778525554 YCTOCRDXUNDHEI-HNNXBMFYSA-N 408.436 -0.124 50 20 HBGD Cn1cc(S(=O)(=O)NNC(=O)CNC(=O)OCc2ccccc2)cc1C(=O)O 794596506 GQFORRQYDPRMSM-UHFFFAOYSA-N 410.408 -0.041 50 20 HBGD Cc1cnn(C)c1S(=O)(=O)N1CCN(S(=O)(=O)CBr)CC1 795926782 TUTGWVGGFKDNHO-UHFFFAOYSA-N 401.308 -0.283 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)CCN3CCOC3=O)C2)C1 1778160054 CFGXXGGIHHFPGG-GUYCJALGSA-N 403.863 -0.088 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3csnn3)CCO2)C1 1779029695 XDJNURCCSIGQSK-KRWDZBQOSA-N 417.451 -0.706 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ccccn4n3)C[C@@H]21)[C@H](O)CCl 1784091311 ZWHCJQVLFRFFJC-FQUUOJAGSA-N 407.858 -0.078 50 20 HBGD Cc1[nH]nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)c1F 1785765323 MYUQWBGACFUYJB-IHRRRGAJSA-N 424.477 -0.176 50 20 HBGD CC1=C(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)CCO1 1787161238 PNEXJKNGZLQRBY-SNRMKQJTSA-N 414.267 -0.346 50 20 HBGD O=C(COC(=O)C(F)(F)F)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1788528249 ARORZWMYMXOETM-MMWGEVLESA-N 416.780 -0.329 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC3(O)CCC3)C[C@@H]21 1791293343 XQNCAFAPAKQMQU-JYJNAYRXSA-N 410.515 -0.356 50 20 HBGD O=C1NC(=O)[C@H](CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(Cl)Cl)[C@H]3C2)N1 1791294045 BXZJQWQLLGFZON-XKNYDFJKSA-N 407.254 -0.632 50 20 HBGD O=C(CC1(O)CCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1791821266 IRITYCZOUVXCJF-SZMVWBNQSA-N 416.283 -0.735 50 20 HBGD CSCC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1793405847 WOOWNEQCHZOICQ-SCAQPMJSSA-N 420.340 -0.041 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1ccc2ncnn2c1 1796188663 FQAOXYFOLRNCIW-BCDXTJNWSA-N 419.250 -0.025 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(F)cn1C 1796718233 UYJZHNXXHHZFCM-IVWMJMPLSA-N 409.462 -0.260 50 20 HBGD CCOC(=O)O[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1 1830736064 QXDNHRBRJIPCEZ-IGCXYCKISA-N 422.862 -0.396 50 20 HBGD Cc1noc(C)c1CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1832551412 NACAAWNBTXVKOL-CRAIPNDOSA-N 415.874 -0.110 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1=NNC(=O)C1)CCO2 1837363310 AUVWWYXJIZODHS-KRWDZBQOSA-N 412.519 -0.830 50 20 HBGD CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1839880195 JFWWYMQKAIJYDU-IFUGULHKSA-N 424.267 -0.342 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3ccnn3)C2)C1 1840155396 AQNYAPGNQVAGNE-JKIFEVAISA-N 415.878 -0.451 50 20 HBGD O=C(COC(=O)CNC(=O)c1ccccn1)NNC(=O)[C@H]1COc2ccccc2O1 740337001 GDBLWLVMDSVFIX-OAHLLOKOSA-N 414.374 -0.658 50 20 HBGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@H](NC(=O)C(C)(C)C)[C@@H](C)O)n1 745702826 LGSXZHIUQOCGBA-QMTHXVAHSA-N 414.484 -0.404 50 20 HBGD Cn1c(=O)c2cc(C(=O)NNC(=O)Cc3cn4ccccc4n3)cnc2n(C)c1=O 746555878 IQAMDTOFBVQCTL-UHFFFAOYSA-N 407.390 -0.716 50 20 HBGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)c2ccc3c(c2)OCCO3)cn1C 764004218 UUNSJIHUHHZNAF-UHFFFAOYSA-N 402.363 -0.017 50 20 HBGD COC(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 765372629 SOFIFKNVZNKARW-QWRGUYRKSA-N 414.440 -0.190 50 20 HBGD COc1ccc(-c2cc(C(=O)NNC(=O)CN3CC(=O)NC3=O)n[nH]2)cc1OC 768279328 NGEQDBDLUVQBIZ-UHFFFAOYSA-N 402.367 -0.593 50 20 HBGD COC(=O)CNC(=O)NNS(=O)(=O)c1cc2c(cc1Br)OCCO2 779844497 KMXHLUJLXZTARH-UHFFFAOYSA-N 424.229 -0.114 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@H](C)c2ncn(C)n2)cc1 780692269 XSHKGVHSMSGMFD-GFCCVEGCSA-N 409.472 -0.164 50 20 HBGD Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 783825845 BZLOKYJOFSTLKA-SSDOTTSWSA-N 414.849 -0.196 50 20 HBGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)C3(S(C)(=O)=O)CC3)CC2)cc1 792237476 JUCCPMCOGWBNBL-UHFFFAOYSA-N 408.524 -0.163 50 20 HBGD Cc1nnc(COCC(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)s1 803724066 HUSFVFJTYPAXTN-CYBMUJFWSA-N 422.419 -0.106 50 20 HBGD COc1ccccc1NCC(=O)NNC(=O)CNS(=O)(=O)c1c(C)noc1C 810007544 KJMHNWBXYNKIFR-UHFFFAOYSA-N 411.440 -0.162 50 20 HBGD CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)[C@@H](C)NC(=O)OC(C)(C)C 811645791 XJSNHPCGBARKNT-SNVBAGLBSA-N 421.458 -0.161 50 20 HBGD COc1ccnc(NNC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)n1 914861312 KGJYEJYZZMJYSG-UHFFFAOYSA-N 408.440 -0.391 50 20 HBGD O=C(Cn1cnc2c(oc3ccccc32)c1=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919885137 MVZLORLCDCUACU-SNVBAGLBSA-N 419.419 -0.340 50 20 HBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NC[C@@H]1CN(C)CCN1C 1116040543 RNXFYSZIAPNCRW-CYBMUJFWSA-N 411.532 -0.522 50 20 HBGD CN(CCCNC(=O)NNC(=O)C1CCN(c2ncccn2)CC1)S(C)(=O)=O 1327864455 MBPOYXYDMPUWOP-UHFFFAOYSA-N 413.504 -0.695 50 20 HBGD C[Si](C)(C)OCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1ccncc1=O)CCO2 1779298299 CRHDQYZNTTZZMT-GOSISDBHSA-N 408.531 -0.075 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccncc1 1785950107 IWZXPLZLYBOFMQ-WDSOQIARSA-N 409.251 -0.332 50 20 HBGD CCC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(CCO)CCO)[C@H]2C1 1790906582 DEJSYBVBWQQTAF-QAETUUGQSA-N 419.950 -0.340 50 20 HBGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21)n1cnnn1 1791688089 YRZKRBVSTGWZCS-DGORSVRFSA-N 419.255 -0.096 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)cco1 1795002455 FNZDNBSDFJEAIK-IVWMJMPLSA-N 406.439 -0.784 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@H]3C=CS[C@@H]31)C2)c1cccc(B(O)O)c1 1795741309 SXTHWRRURJUCQA-OPICCCTDSA-N 414.292 -0.555 50 20 HBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1800974842 FGOGYRHLVHSFSO-VLEAKVRGSA-N 401.807 -0.225 50 20 HBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(O)nc1O)C2 1800975175 KYEOABSJTQSWPY-QCMRWSPLSA-N 400.819 -0.655 50 20 HBGD C[C@@](O)(CC(=O)O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2 1801004421 DMFHAAZWTNHXIX-OJXGSEEGSA-N 421.288 -0.023 50 20 HBGD CN1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)C1 1840571820 RHORQYCDHCQKRY-DOMZBBRYSA-N 408.268 -0.305 50 20 HBGD NC[C@H](C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccccc1 1842970220 LMALNXWVTANFJO-IBGZPJMESA-N 407.279 -0.074 50 20 HBGD Cn1ccnc1[C@](O)(CC(=O)NNC(=O)CNC(=O)c1ccco1)C(F)(F)F 725740219 CWFUXZPDKHKDHW-CQSZACIVSA-N 403.317 -0.270 50 20 HBGD CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 729274960 ICKTWRVSFDQSQL-BMIGLBTASA-N 409.468 -0.700 50 20 HBGD C[C@H]1CN(Cc2ccc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc2)C[C@@H](C)O1 729275352 NWPVUNJFGSBLER-HZSPNIEDSA-N 412.512 -0.006 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@@H]3CCN(C4CC4)C3)nc2)CC1 734279498 QKBPMARQGDWSQO-CQSZACIVSA-N 423.543 -0.120 50 20 HBGD C[C@H](C(=O)NNC(=O)COc1ccc(F)cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 746095977 LCLJGLRAIDVWGV-CEMKBHKYSA-N 405.382 -0.097 50 20 HBGD NS(=O)(=O)c1cccc(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)c1 751279250 HHZUAPNJWDEIIN-UHFFFAOYSA-N 418.478 -0.865 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 758045416 OMKRVIHEVBNJEH-JQWIXIFHSA-N 416.887 -0.226 50 20 HBGD CCC(=O)N1CC[C@@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 762381836 FDGWIWBXEIXFDA-CYBMUJFWSA-N 411.484 -0.108 50 20 HBGD Cc1ccc(S(=O)(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)c1 765127721 XFXGLYVSPDEKEF-UHFFFAOYSA-N 420.451 -0.940 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2c(F)cc(C#N)cc2F)n(C)c1=O 766638159 YKVMQRQUHCWXKQ-UHFFFAOYSA-N 417.332 -0.955 50 20 HBGD O=C(Cc1nc2ncccn2n1)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766651108 LYQJLZLMZAVTBN-UHFFFAOYSA-N 422.449 -0.728 50 20 HBGD COCc1nc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)co1 775761035 RLSHNALNXHUOBL-UHFFFAOYSA-N 424.435 -0.083 50 20 HBGD Cc1nc(CN2CCN(CC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)CC2)n[nH]1 775989228 XEWSHCBKAHIIMP-UHFFFAOYSA-N 402.415 -0.400 50 20 HBGD O=C(NNC(=O)[C@H]1CCCN1C(=O)c1ccccc1O)N[C@H]1CCS(=O)(=O)C1 780908174 RETFXJXMXBRQRC-WCQYABFASA-N 410.452 -0.486 50 20 HBGD CNS(=O)(=O)[C@H]1CCN(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1 793216055 VIPVOTFLQQIIGK-ZDUSSCGKSA-N 413.456 -0.723 50 20 HBGD Cc1nccn1CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1782775735 WKHVCQIHVKKYQH-FQEVSTJZSA-N 412.255 -0.985 50 20 HBGD Cc1nn(C)cc1C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783933754 WVTXKFCFBQXKMH-LJQANCHMSA-N 406.487 -0.455 50 20 HBGD O=C(CNCP(=O)(O)O)N1CCO[C@]2(CCN(C(=O)C(Cl)Cl)C2)C1 1783947752 ZDDDHUVQVRECDC-GFCCVEGCSA-N 404.187 -0.655 50 20 HBGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1)n1ccnc1 1795732731 DTKLQPAZUXJKBL-NYCLONFESA-N 412.255 -0.973 50 20 HBGD CC[S@](=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796188894 YQHSMYDSUHBCQL-FSFWTGJDSA-N 406.313 -0.223 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](C)NC=O)C2 1796892722 JYSTVTBGITUEIQ-KGRXZJJLSA-N 402.455 -0.107 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccccn1)C2 1801013025 KTPUTORBNHMRKY-YVWYUNDQSA-N 403.483 -0.413 50 20 HBGD CC(=O)NCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1801659361 PRHHAEROPJYOQQ-NHDOHCAUSA-N 402.455 -0.105 50 20 HBGD CN(CC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](O)CCl)n[nH]1)C(=O)C(=O)O 1814875354 WLFGIKLKQFWVJL-WDEREUQCSA-N 415.834 -0.456 50 20 HBGD CNC(=O)CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1815142098 ZSWLOKDLFGRYQA-HNNXBMFYSA-N 413.243 -0.469 50 20 HBGD NC(=O)CC[C@H](N)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](O)CCl)[nH]n1 1817245256 JFAHSLBINPKMFO-MVWJERBFSA-N 400.867 -0.406 50 20 HBGD CC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](Cl)COC)C2)C1 1829866931 RQRSCMXDZMZKBK-VKJFTORMSA-N 419.906 -0.389 50 20 HBGD CNC(=O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Br)CCO2 1840030455 MUQCVJXQLCVXDB-NHYWBVRUSA-N 406.277 -0.638 50 20 HBGD O=C1CCCCN1CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840103810 SYRQSRRCZAPARB-KDOFPFPSSA-N 417.890 -0.945 50 20 HBGD CO/C=C(\C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840184538 SMPHMLUHULOCAD-LSSBLYJVSA-N 412.487 -0.634 50 20 HBGD COCCCNC(=O)NNC(=O)CN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O 65207275 KJXXLNOSUFXJPT-GOSISDBHSA-N 407.427 -0.171 50 20 HBGD COc1c(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c(C)nn1C 732853716 GKJMABOMCMQDPM-CYBMUJFWSA-N 404.379 -0.119 50 20 HBGD CN(CCCC(=O)NNc1ccc(C(N)=O)nn1)C1=NS(=O)(=O)c2ccccc21 757406759 ZZTAOAPJRZUEGH-UHFFFAOYSA-N 417.451 -0.120 50 20 HBGD Cn1cnc(S(=O)(=O)NCC(=O)NNC(=O)c2cc(-c3ccccc3)[nH]n2)c1 762930585 GAVLMSNLTZLCMP-UHFFFAOYSA-N 403.424 -0.450 50 20 HBGD C[C@H](NS(=O)(=O)c1cccs1)C(=O)NNC(=O)CNC(=O)c1cccnc1 771047677 ZFWKVISMWXSOKG-JTQLQIEISA-N 411.465 -0.613 50 20 HBGD COCCS(=O)(=O)CC(=O)NN(C)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 776202742 WQIXJYDNEVZQBQ-UHFFFAOYSA-N 422.504 -0.317 50 20 HBGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1cccnc1-n1cccn1 784003273 CQMRKWUDBNQMFI-UHFFFAOYSA-N 413.419 -0.155 50 20 HBGD Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)NNC(=O)N1CCN(C)CC1 788166257 KQQPTSIZZUUNCF-UHFFFAOYSA-N 402.459 -0.634 50 20 HBGD O=C(CCCNS(=O)(=O)c1ccc(F)cc1)NNC(=O)CN1CCCC1=O 789857448 GKHUZVBQFVYMOA-UHFFFAOYSA-N 400.432 -0.346 50 20 HBGD COCCN1C(=O)/C(=C/NNC(=O)[C@@H]2COc3ccccc3O2)C(=O)NC1=S 920977796 NGVAYDSYCWYIKY-FROQITRMSA-N 406.420 -0.779 50 20 HBGD Cc1ccc(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)cc1S(=O)(=O)NCC#N 1326112613 SDARHUGXNYOUPJ-CQSZACIVSA-N 414.509 -0.097 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)C3=NN(C)C(=O)CC3)CCO2)C1 1783870343 AZDOECSEQFWPTG-PXAZEXFGSA-N 400.863 -0.322 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1783874128 YMXBVEYLLOKVOO-XJKSGUPXSA-N 415.834 -0.125 50 20 HBGD Cc1nc(CC(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)no1 1783933034 BIJYPECQMYXEKX-SFHVURJKSA-N 408.459 -0.877 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(CN(C(=O)/C=C\C(=O)NC3CC3)CCO2)C1 1783934506 IFAUGLLOQRZJAI-MWGFUINXSA-N 421.498 -0.976 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(CN(C(=O)CCCn3ccnc3)CCO2)C1 1783937729 NTQXWIKUTQMBTK-HXUWFJFHSA-N 420.514 -0.134 50 20 HBGD CC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1786433482 MWYGWZXTZFHKGN-SZMVWBNQSA-N 402.256 -0.671 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCO3)C[C@@H]21)c1ccc(B(O)O)cc1 1786983689 QJNDZZAEPZLJJA-DKIMLUQUSA-N 402.256 -0.861 50 20 HBGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@H](N)C(N)=O)C2 1800640225 ZQXJGUOJOZRGOR-ZUDIRPEPSA-N 419.320 -0.658 50 20 HBGD O=C(CN1CCOC1=O)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1831022626 AJONKIOXGZPTNC-HNNXBMFYSA-N 410.254 -0.301 50 20 HBGD O=C(CCc1cnc[nH]1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1832805082 LYQDHQJROAEFHZ-YOEHRIQHSA-N 400.863 -0.602 50 20 HBGD C=CC(=O)N[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1835826546 MMTQDBKLRPLAEG-CZUORRHYSA-N 414.934 -0.152 50 20 HBGD CC[S@](=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](Cl)COC)CCO2 1840153149 FYKLLSVWCACXIC-OSCZSYKUSA-N 424.947 -0.145 50 20 HBGD CCOC(CC(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1)OCC 1843015067 DTSPOCBBYYMIFW-UHFFFAOYSA-N 404.272 -0.027 50 20 HBGD CCCn1nc(C(=O)NNC(=O)CN2CCC(=O)NC2=O)c2ccccc2c1=O 731891913 SSLQSVYJGBJFJU-UHFFFAOYSA-N 400.395 -0.491 50 20 HBGD COCCNS(=O)(=O)c1c[nH]c(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 741144204 KILWHYPXAMOZKK-OAHLLOKOSA-N 424.435 -0.460 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)NCCNS(=O)(=O)c1cccs1 746723157 RVRJZMPRZJMWQX-UHFFFAOYSA-N 415.453 -0.620 50 20 HBGD Cn1c(=O)c2cc(C(=O)OCC(=O)NNC(=O)c3cccs3)cnc2n(C)c1=O 746944216 YWJYFELQRJRHBG-UHFFFAOYSA-N 417.403 -0.688 50 20 HBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@@H]1CCCN1S(=O)(=O)c1cccs1 749117581 JZMHYOKZWZDETD-QWRGUYRKSA-N 421.522 -0.517 50 20 HBGD O=C(CNC(=O)c1cccs1)NNC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 751208721 IOEQGZXCGNLEAS-UHFFFAOYSA-N 409.449 -0.877 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cn(-c2ccc(C(F)(F)F)cn2)nn1 758045092 BKIZOWNWUWDAHK-SSDOTTSWSA-N 421.361 -0.620 50 20 HBGD Cn1c(=O)c2ccc(C(=O)NNc3nccc(N4CCOCC4)n3)nc2n(C)c1=O 762857766 WSWBTUXYJCXSGS-UHFFFAOYSA-N 412.410 -0.984 50 20 HBGD O=C(NNC(=O)[C@@H]1CN2CCCN1CC2)c1ccc(S(=O)(=O)N2CCCC2)cc1 763272389 ITFUOEUXFUMWCE-KRWDZBQOSA-N 421.523 -0.378 50 20 HBGD Cc1ccc(-n2cc(C)cn2)c(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 764230464 IVFJSYCVNBGCOI-LBPRGKRZSA-N 422.467 -0.487 50 20 HBGD CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NNC(=O)C(F)(F)Oc2ccccc2)n1 764369288 BTZNHNORVBZUGN-UHFFFAOYSA-N 424.364 -0.271 50 20 HBGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccccc1N1CCN(C)CC1 764401799 XMAMZCSIZVWEER-AWEZNQCLSA-N 407.471 -0.424 50 20 HBGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccccc1CN1CCSCC1 764433990 PHIBWWOCNZOBIY-OAHLLOKOSA-N 408.480 -0.263 50 20 HBGD Cn1ncc2c(=O)n(CC(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)cnc21 765313400 MAQRYEHVAKWNMS-UHFFFAOYSA-N 407.431 -0.418 50 20 HBGD Cc1c(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cnc2ccccc12 765728985 UGUOCCVMSBHCIA-UHFFFAOYSA-N 421.417 -0.248 50 20 HBGD CNS(=O)(=O)CC(=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 766661223 UDZZTLMPVSJZPM-UHFFFAOYSA-N 417.919 -0.846 50 20 HBGD COCCN(CCNC(=O)NNC(=O)C(=O)N1CCCC1)C(=O)OC(C)(C)C 768115018 PHBVALRTMWOOPV-UHFFFAOYSA-N 401.464 -0.177 50 20 HBGD NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)NNc1nc2ccccn2n1 791261019 YJEJJXIJXKHMFQ-UHFFFAOYSA-N 403.380 -0.572 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cccc(OC(F)(F)F)c1F 793392669 SHFSRWUCUPMOHR-LURJTMIESA-N 423.366 -0.029 50 20 HBGD O=C(COC(=O)CCn1cnccc1=O)NNC(=O)[C@H]1COc2ccccc2O1 796327976 LSHIDXAYOTYWFM-CQSZACIVSA-N 402.363 -0.836 50 20 HBGD O=C(CNS(=O)(=O)c1ccc(Br)cc1)NNC(=O)Cc1cc[nH]n1 810355638 CSLZBCORRFYEJG-UHFFFAOYSA-N 416.257 -0.159 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779396216 WZVRKLQIPUBTBY-QGZVFWFLSA-N 423.430 -0.866 50 20 HBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)c1cccnn1 1779651831 QPSGMHIZVUJYMY-WIYYLYMNSA-N 424.266 -0.402 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(O)cn1)CCO2 1783936868 WFLFMLKASZDCBG-IBGZPJMESA-N 405.455 -0.396 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4c3OCCC4)C[C@@H]21)[C@H](O)CCl 1784092626 RRHHJDMYYSGMIJ-MHEUCROKSA-N 412.874 -0.141 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(C)C)[C@H]2C1 1786477050 DFIJWQANEXAWJN-YFRLFMDHSA-N 418.498 -0.338 50 20 HBGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCS(C)(=O)=O)C[C@@H]21 1791255975 AJFBTNUGRYDDEO-XUXIUFHCSA-N 410.920 -0.345 50 20 HBGD CCC[C@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1792182954 JIOUOYJOXYPBQA-GVRJEKJASA-N 403.907 -0.129 50 20 HBGD O=C1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCBr)C3)CN1 1792579161 QHBYOXUYLDFRAG-OHTBPHCPSA-N 402.289 -0.113 50 20 HBGD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792982871 ULWTXTUUEVHTSS-AYCBFJCHSA-N 414.886 -0.069 50 20 HBGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@@H](N)C(N)=O 1795631660 MSPRBAIKSRJZRA-ROEYZRMQSA-N 419.320 -0.800 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1O)C2)c1ccc(B(O)O)cc1 1795732475 KKWAOVXEYIDCPH-CCWDJLKJSA-N 410.235 -0.411 50 20 HBGD C[C@H](NC=O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817472374 GGLXXKAEJHUCBG-BLLLJJGKSA-N 413.243 -0.470 50 20 HBGD O=C(c1ccc2ncnn2c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731476 LUAJDBWSCSGPES-KSSFIOAISA-N 423.857 -0.601 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ncccn3)CCO2)C1 1833170610 NGBLEJRNSQHGHN-KBXCAEBGSA-N 412.874 -0.271 50 20 HBGD COCc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1 1838511947 AQPXLVGWXGOYKG-CRAIPNDOSA-N 415.874 -0.169 50 20 HBGD C[C@H](Cn1ccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840428144 CHCRKDSTEBLICJ-RKVPGOIHSA-N 414.890 -0.425 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2ccc3c(n2)OCCO3)C1 1843312880 RGIIRFNREDIZMG-UHFFFAOYSA-N 423.234 -0.337 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CNC(=O)C2)C1 1845997950 SVRKGEYBJBJGQE-AEOXGOBCSA-N 400.439 -0.540 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)[C@H]2CCc3nc[nH]c3C2)C1 1846549653 XXAYQWGZSOBCRZ-HNNXBMFYSA-N 408.267 -0.288 50 20 HBGD COC(=O)[C@@H]1CC[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cccc(B(O)O)c2)C1 1847554623 COGODWXOKFSFOT-LMSBXDPUSA-N 414.267 -0.229 50 20 HBGD O=C(NNC(=O)c1cnn[nH]1)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 729457856 YKYDJPOLKTZEMP-SNVBAGLBSA-N 420.407 -0.797 50 20 HBGD Cn1cc(N2CC[C@H](NC(=O)NNC(=O)CNC(=O)c3cccs3)C2=O)cn1 735512826 OCXCOHTVYJUIIP-NSHDSACASA-N 405.440 -0.653 50 20 HBGD CS(=O)(=O)N1CCN(CCNC(=O)NNC(=O)c2cccc(Cl)c2)CC1 749351364 BGSMLGHQXBMFJQ-UHFFFAOYSA-N 403.892 -0.139 50 20 HBGD Cc1nc(S(=O)(=O)NCC(=O)NNC(=O)Cc2c[nH]c3ccccc23)cn1C 750664267 XZFUWLBNXCTAFN-UHFFFAOYSA-N 404.452 -0.122 50 20 HBGD COCc1nc2n(n1)C[C@H](NC(=O)NNC(=O)CNC(=O)c1cccs1)CC2 757796370 PZXNPIUZNHBVRI-SNVBAGLBSA-N 407.456 -0.439 50 20 HBGD C[C@@H](C(=O)NNC(=O)CNC(=O)c1cccnc1)S(=O)(=O)c1ccc(F)cc1 764343697 QSXLQWXHNGHWJZ-NSHDSACASA-N 408.411 -0.040 50 20 HBGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)CNS(=O)(=O)c1cn(C)cn1 772969458 YSROUVPCKFEBEL-JTQLQIEISA-N 415.859 -0.033 50 20 HBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 793556109 URQVMMYITAIRSG-KRWDZBQOSA-N 411.459 -0.946 50 20 HBGD NC(=O)Cc1occc1C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 802762425 GFGKRMDPFYUQBG-UHFFFAOYSA-N 413.434 -0.474 50 20 HBGD CCS(=O)(=O)N[C@@H](C)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 816810354 JEFAWYRWMSJMPF-JTQLQIEISA-N 406.486 -0.974 50 20 HBGD O=C(O)CSCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2 1782221787 WBFUOIJBHYIHJD-HWWQOWPSSA-N 408.904 -0.082 50 20 HBGD C[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1783533241 SSNUGBVKOAUDPR-NHYWBVRUSA-N 402.293 -0.560 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCSC3)C2)C1 1785472789 HKWHYYOZAZIUJL-OXQOHEQNSA-N 418.324 -0.047 50 20 HBGD CN[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@](C)(Cl)CCl)C2)C(=O)O 1795645384 KODFQPIRRCWMKK-JZHJWMIFSA-N 410.298 -0.125 50 20 HBGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cncn1 1795849535 MDKKBCCEOONCSP-FMSGJZPZSA-N 400.277 -0.101 50 20 HBGD CC(C)CNC(=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1796915356 XRGNJFGEWGANAV-BJWYYQGGSA-N 401.272 -0.610 50 20 HBGD NC(=O)CC[C@H](N)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](O)CCl)CC2 1814800240 HOIHSDMAOLMFFK-OYNCUSHFSA-N 403.892 -0.752 50 20 HBGD NC[C@H](N)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1 1828926525 MPXTZIGJNXOBHN-DLBZAZTESA-N 417.514 -0.796 50 20 HBGD O=C([C@H](O)CCl)N1CCC([C@H]2CCCCN2C(=O)[C@@H](O)N2CCOCC2)CC1 1828963547 DPTFYEHRCPCDFY-JFIYKMOQSA-N 417.934 -0.144 50 20 HBGD O=C(c1ccc2nn[nH]c2c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830736400 SIMWEJQYCMBMNP-CRAIPNDOSA-N 423.857 -0.372 50 20 HBGD CCc1[nH]nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1F 1833732735 DZGDKJNSSAFBTO-SJKOYZFVSA-N 418.853 -0.219 50 20 HBGD C[C@H](Br)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)CN)CC2)CC1 1835068195 PELJJXDIMCVSST-FZMZJTMJSA-N 404.353 -0.373 50 20 HBGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C=CCN1)CCO2 1836477665 CIVHVXHVXWUGDK-BBRMVZONSA-N 402.289 -0.244 50 20 HBGD C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839840221 AUFOHCSDJYUEPE-IERDGZPVSA-N 416.283 -0.351 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccn3)C2)C1 1840152152 ZBTUKRJECRUMKW-RHSMWYFYSA-N 400.863 -0.407 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cnn(C)c3)CCO2)C1 1840466794 XXFDSYJPZNHDJE-QAPCUYQASA-N 414.890 -0.327 50 20 HBGD O=C(c1cnc(OCF)cn1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010630 MNMJMCKSDQHIAW-UHFFFAOYSA-N 414.202 -0.407 50 20 HBGD Cn1c(C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)cccc1=O 1844263748 PMAGWQHYSNMYST-UHFFFAOYSA-N 410.434 -0.485 50 20 HBGD Cc1noc(CCNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)n1 726271823 ZRQWWAMUOUXAMW-UHFFFAOYSA-N 424.487 -0.422 50 20 HBGD CCC(=O)NNC(=O)[C@H](C)Sc1nnc(SCC(=O)N(CC)CC)n1N 731904714 PNIQPMBBASXDRD-VIFPVBQESA-N 403.534 -0.010 50 20 HBGD O=C(CCCNS(=O)(=O)c1ccc(F)cc1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 732308381 ZBPFMOWNUWNSBW-LLVKDONJSA-N 421.472 -0.534 50 20 HBGD COc1ccc(S(=O)(=O)C[C@H](C)C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 734994701 UIJQEKGYMDVSAU-RYUDHWBXSA-N 418.493 -0.313 50 20 HBGD NS(=O)(=O)c1cccc(N2C[C@H](C(=O)NNC(=O)Cc3cccnc3)CC2=O)c1 746219844 ZKXPNWYDOVXRAM-CYBMUJFWSA-N 417.447 -0.528 50 20 HBGD COc1cc(C)nc(NNC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)n1 746633313 RLJVSDXANIHDTR-UHFFFAOYSA-N 410.456 -0.090 50 20 HBGD CCC(=O)NCc1cc(S(=O)(=O)NNC(=O)N2CCOCC2)ccc1OC 751548420 OCOJRTXUDRXJHE-UHFFFAOYSA-N 400.457 -0.044 50 20 HBGD COc1ccccc1NCC(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 755678236 OHJLVBFFDOLUEF-LLVKDONJSA-N 410.456 -0.645 50 20 HBGD Cc1c(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)nnn1-c1cccc2ncccc12 758048470 SSUCHXGHTITMCD-SNVBAGLBSA-N 417.451 -0.177 50 20 HBGD Cn1c(=O)c2c(ncn2CCC(=O)NNc2nc(O)c3ccccc3n2)n(C)c1=O 758299915 YZUGLRPFMNALJL-UHFFFAOYSA-N 410.394 -0.384 50 20 HBGD CCS(=O)(=O)c1cc(F)ccc1NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 760016704 ZANMPELDZCHISY-QMMMGPOBSA-N 410.449 -0.290 50 20 HBGD Cc1nnnn1-c1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 763573217 QQHPGFKWEYQQIJ-INIZCTEOSA-N 423.389 -0.103 50 20 HBGD Cc1cn(-c2ccccc2)nc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764231062 MAHFVPSJDJSSLU-LLVKDONJSA-N 408.440 -0.796 50 20 HBGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O 764426455 UUGNYGUVIMHWMY-CQSZACIVSA-N 416.390 -0.806 50 20 HBGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1cc(N2CCCC2=O)ccc1Cl 764430641 YANZFIPJAKYAMX-CYBMUJFWSA-N 410.814 -0.032 50 20 HBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 771854149 MVKCTLXLRSDRLA-LBPRGKRZSA-N 410.452 -0.038 50 20 HBGD COc1cc(OC)c(OC)cc1NC(=O)C(=O)NNC(=O)CNC(=O)c1ccco1 784004212 KUCIPDLCACJFPK-UHFFFAOYSA-N 420.378 -0.179 50 20 HBGD CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 794245629 UKQDIZONRJENQZ-WYUUTHIRSA-N 402.473 -0.383 50 20 HBGD C[C@H]1Oc2ccccc2N(CCC(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)C1=O 919889309 KSLPSLSVYHJBKT-VXGBXAGGSA-N 410.452 -0.292 50 20 HBGD COCCCNC(=O)NNC(=O)CCNS(=O)(=O)c1cccc(C(C)=O)c1 920888989 GKMLVWSOJQKCNA-UHFFFAOYSA-N 400.457 -0.076 50 20 HBGD COCCn1nc(C(=O)N2CCN(S(=O)(=O)CBr)CC2)ccc1=O 1341891205 QKUVNZHQPSNLPO-UHFFFAOYSA-N 423.289 -0.670 50 20 HBGD C[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CN3CCN(C)CC3)CCO2)C1 1783533726 GFTFZWLTFUFEMD-PBHICJAKSA-N 417.348 -0.153 50 20 HBGD O=C(/C=C/c1cnc[nH]1)N1CC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1784304845 AKTIBTOJGFTRML-SGSXCFNPSA-N 410.239 -0.754 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[C@H]1CCCCO1 1792564929 KBHQWFXCJXLNCR-CYGHRXIMSA-N 402.256 -0.861 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)CCl)c1n[nH]c2c1CS(=O)(=O)C2 1793109962 IUVOLOFXHCNWOR-WJZNIJOASA-N 416.887 -0.310 50 20 HBGD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1)n1cccn1 1795741104 ZHGCUPGMVADFFP-SCNOPHJPSA-N 412.255 -0.973 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(=O)(=O)N1CCCC1)C2)[C@@H](F)Cl 1796362939 LAZFODCTBJPDJT-ZMJPVWNMSA-N 411.883 -0.464 50 20 HBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COC(=O)C(F)(F)F 1797655850 FTLODJJGXFIOBK-WYFGTUCQSA-N 416.780 -0.065 50 20 HBGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NNC(=O)C1 1797677373 CMNPPIIQIRZYLI-ORXSELOVSA-N 401.261 -0.517 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(CO)on1)C2 1798440012 SSPBLWUVYMNLPJ-ZSBIGDGJSA-N 414.422 -0.269 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCC3)C2 1801011529 MYEXQANJDMVWOA-HBCWATKFSA-N 418.498 -0.595 50 20 HBGD COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)nn1 1830730725 CHGRRNGFOBURHV-GUYCJALGSA-N 414.846 -0.845 50 20 HBGD C[C@@H](CC(N)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1831603653 VAIAYURCIKNPRC-LRDDRELGSA-N 420.304 -0.261 50 20 HBGD O=C(c1ccc(F)cn1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1834473134 OMDVBRGNBQDECO-YOEHRIQHSA-N 401.822 -0.110 50 20 HBGD Cn1ccc(=O)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1838531786 GRWQKPJPCYPYKC-RHSMWYFYSA-N 401.822 -0.010 50 20 HBGD O=C([C@@H]1C=CCN1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199264 LEKRVZKUFYVGLN-HUBLWGQQSA-N 406.252 -0.339 50 20 HBGD O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1840041446 MWVUCRPXUIARHS-OAHLLOKOSA-N 403.229 -0.684 50 20 HBGD N[C@@H](Cc1cccnc1)C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1843386159 QVQAMWCQONNEBI-SFHVURJKSA-N 408.267 -0.852 50 20 HBGD O=C(CN1CCCS1(=O)=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 744618831 DZNFLGCAKXODLB-UHFFFAOYSA-N 418.497 -0.814 50 20 HBGD COc1cc(OC)cc(C(=O)NNC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)c1 746387556 LVRNBFJQVAVZEA-HNNXBMFYSA-N 420.466 -0.355 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)[C@@H]3CCCN3C(N)=O)cc2)CC1 748623149 ITDZXKPLIZCUKH-HNNXBMFYSA-N 410.500 -0.391 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccnn1C1CCCCC1 764226850 KSJJYIWQOQWCGP-JTQLQIEISA-N 400.461 -0.588 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc2c(cc1Cl)OCO2 764228544 YBLNBQCTSLNSRG-LURJTMIESA-N 406.804 -0.908 50 20 HBGD CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 765071467 YVUPJIGNWALBFK-VXGBXAGGSA-N 420.488 -0.470 50 20 HBGD NC(=O)N1CCC[C@@H](C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)C1 765734634 BCEWGLYFKZJWIM-MRXNPFEDSA-N 416.482 -0.618 50 20 HBGD CN(NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C(N)=O 778415461 XJWFHAFPKVFUJQ-UHFFFAOYSA-N 415.447 -0.520 50 20 HBGD CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)NNC(=O)c1ccc2c(c1)OCCO2 787881864 NTMFOKRAYFJENU-WDEREUQCSA-N 408.411 -0.142 50 20 HBGD CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)NNC(=O)CNC(=O)c1ccco1 805043408 KFMGQYQINVGWPD-LLVKDONJSA-N 401.445 -0.846 50 20 HBGD CCOc1ccc(N2C[C@@H](C(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2=O)cc1 919884565 HYWGALJDSHMATL-QWHCGFSZSA-N 424.479 -0.044 50 20 HBGD COc1cc(CC(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc(OC)c1OC 1317963286 QCPXBIKMQRRENF-NSHDSACASA-N 401.441 -0.228 50 20 HBGD Cn1nccc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779030940 KNYLYAQMXGRRSQ-LJQANCHMSA-N 413.438 -0.824 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)C3=NN(C)C(=O)CC3)CCO2)C1 1783870345 AZDOECSEQFWPTG-SJCJKPOMSA-N 400.863 -0.322 50 20 HBGD CCOC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](Cl)COC)C2)C1 1783876876 BSFFVPKRNYBCQK-HWWQOWPSSA-N 407.851 -0.865 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)CSc3nc[nH]n3)C2)C1 1784395168 ZURVUXRALABHQW-IAQYHMDHSA-N 403.892 -0.020 50 20 HBGD O=C(/C=C/c1cnc[nH]1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1801239735 OASRKBRLIRAHEL-JXYHFPMYSA-N 410.239 -0.994 50 20 HBGD O=C(CCN1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830722463 CBEHZLRQDGVWKZ-LPHOPBHVSA-N 417.934 -0.082 50 20 HBGD O=C1CC[C@H](C(=O)N2CCC(N3CCC(NC(=O)[C@H](O)CCl)CC3)CC2)N1 1833309448 VJRMIYWYMHCXTO-HUUCEWRRSA-N 400.907 -0.564 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1839151623 YBWWTCLFOXWLHJ-ZLIFDBKOSA-N 422.309 -0.042 50 20 HBGD Cn1ncnc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839198344 YIMCCSSSUFIEQC-HZMBPMFUSA-N 420.239 -0.424 50 20 HBGD O=C(Cn1cncn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199752 SZPGQSRJROQTIX-GXTWGEPZSA-N 420.239 -0.575 50 20 HBGD CC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1839860562 BAQFZPJCHKCDJX-ABAIWWIYSA-N 406.277 -0.638 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)[nH]3)C2)C1 1840153085 CIZQOILOJSURST-BDJLRTHQSA-N 402.835 -0.561 50 20 HBGD Cc1nc(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)c(=O)[nH]c1C 1843013570 MXSLTOFIDCQAPT-UHFFFAOYSA-N 410.239 -0.803 50 20 HBGD O=C(CCNS(=O)(=O)c1cccs1)NNC(=O)CNC(=O)c1ccco1 725740249 SCPDOYSZWBRNFW-UHFFFAOYSA-N 400.438 -0.413 50 20 HBGD CN(C)S(=O)(=O)c1ccccc1CNC(=O)NNC(=O)CNC(=O)c1ccco1 725872177 LCFWYPIYDZRJBC-UHFFFAOYSA-N 423.451 -0.210 50 20 HBGD O=C(Cc1cc[nH]n1)NNC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 730102418 BUQHCAGNFMHNNE-AWEZNQCLSA-N 407.452 -0.129 50 20 HBGD O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CCN(CCN2CCOCC2)C1 734686825 WGGYOAFTOJXPOB-HNNXBMFYSA-N 406.443 -0.055 50 20 HBGD CC1(C)NC(=O)N(CCC(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)C1=O 744577132 PZZNQYORYBMACR-UHFFFAOYSA-N 401.379 -0.417 50 20 HBGD CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2ccccn2)s1 746091619 FZXKVOHDZSBWNV-UHFFFAOYSA-N 411.465 -0.481 50 20 HBGD CCN1C(=O)[C@@H]2CN(CC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)CCN2C1=O 752338109 KSOLDFMSZRXUDW-ZDUSSCGKSA-N 404.383 -0.676 50 20 HBGD C[C@H](C(=O)N1CCCC1)N1CCN(CC(=O)NNC(=O)c2ccc(C#N)cc2)CC1 756047290 MFBIBCMFYHYCJS-MRXNPFEDSA-N 412.494 -0.052 50 20 HBGD CCOc1ccccc1OCC(=O)NNC(=O)Nc1ncn(CC(=O)N(C)C)n1 756770073 JJLAYMHEIFUNRS-UHFFFAOYSA-N 405.415 -0.003 50 20 HBGD COC1CCC(CC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 759608715 PNNGGEXDYPJUQS-UHFFFAOYSA-N 406.443 -0.824 50 20 HBGD COc1ccccc1SCC(=O)NNC(=O)CN1CCN(S(C)(=O)=O)CC1 762409484 PVODKBSGIWHUBP-UHFFFAOYSA-N 416.525 -0.488 50 20 HBGD O=C(NNC(=O)C1CC1)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 764613210 LICSXUJWVOAMES-LBPRGKRZSA-N 416.481 -0.285 50 20 HBGD Cn1ccc(S(=O)(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)n1 765118108 JDIJXVMNPCOFHW-UHFFFAOYSA-N 406.468 -0.812 50 20 HBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1ccc2nncn2c1 766643430 LNHGLUYLBULJLS-UHFFFAOYSA-N 407.434 -0.052 50 20 HBGD C[C@@H]1CN(CCC(=O)NNC(=O)c2ccc(S(=O)(=O)N(C)C)nc2)C[C@@H](C)O1 771712868 HZLUNNWMAPXTOP-CHWSQXEVSA-N 413.500 -0.408 50 20 HBGD C[C@@H](Oc1ccc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)cc1)C(=O)O 794886907 QAMBYSKHNRYJRZ-SNVBAGLBSA-N 421.435 -0.427 50 20 HBGD O=C1COc2c(cccc2NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)N1 810385431 RXJLNIJHJRLUOC-AWEZNQCLSA-N 412.358 -0.057 50 20 HBGD CCS(=O)(=O)N[C@H](C)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 816810355 JEFAWYRWMSJMPF-SNVBAGLBSA-N 406.486 -0.974 50 20 HBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2)c1nc2ncccn2n1 1778584544 PHGUVIZANFNPQA-VEVIJQCQSA-N 422.873 -0.149 50 20 HBGD CCN(C)[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1782609761 DFMIVVGOSOBUCJ-FOIQADDNSA-N 403.288 -0.850 50 20 HBGD C[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1783540402 WAUBCZWDKMPIJD-BLLLJJGKSA-N 419.320 -0.027 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@@]3(F)Cl)C2)C1 1784066001 MJOHYIZZHYOPGV-WBAXXEDZSA-N 410.638 -0.266 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 1784850311 HDECQVHRBRTRNN-ROYATCLZSA-N 415.450 -0.979 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccon3)[C@H]2C1 1786219418 ZKPWUOXGLAEFOK-PJODQICGSA-N 414.422 -0.420 50 20 HBGD CCN(C)[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1790555968 HRMOXDFSPZOFSS-QAETUUGQSA-N 411.547 -0.321 50 20 HBGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)C(F)(F)F)C2 1800982164 YEWFEHQOISAWLT-DTHBNOIPSA-N 415.796 -0.492 50 20 HBGD CN1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)C1 1822999509 NYSNJSFMSVEWSP-QGZVFWFLSA-N 411.271 -0.043 50 20 HBGD O=C(c1cc(O)nc(O)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830722440 BVGRMXBZBIJSKC-YVEFUNNKSA-N 415.830 -0.838 50 20 HBGD CCc1oncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830724972 KQHLMHFULJVYDO-CXAGYDPISA-N 401.847 -0.093 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@@H]1F)CCO2 1832123625 XMVBRBCUAYRANY-FRIZHTMISA-N 421.429 -0.887 50 20 HBGD C[C@@H](CBr)C(=O)NC1CCN(C2CCN(C(=O)C(O)O)CC2)CC1 1833265508 ZGESRMABLJXPSS-NSHDSACASA-N 406.321 -0.100 50 20 HBGD C[C@@H](O)C(=O)N1CCC(N2CCC(NC(=O)c3cnccc3C(=O)NN)CC2)CC1 1835738360 ZDVBZJVLRTXSIO-CYBMUJFWSA-N 418.498 -0.749 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 1840155557 AMVIMCGGMLRYLR-FQRJBHLQSA-N 402.875 -0.411 50 20 HBGD CN1CCCC[C@@H]1C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1841364109 SFMWZQQACFVRCF-MRXNPFEDSA-N 400.483 -0.014 50 20 HBGD O=C([C@@H]1Cc2ccccc2CN1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013886 ZLGBAHWLOIFLLV-FQEVSTJZSA-N 419.290 -0.102 50 20 HBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCCN2C(=O)[C@@H](N)CN)C1 1843349671 GHGKDKSHJCELMP-AWEZNQCLSA-N 405.411 -0.377 50 20 HBGD O=C(c1cnc(Cl)nc1)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(B(O)O)c1 1847177585 IEPIVVMFHKMDDI-GJZGRUSLSA-N 400.631 -0.061 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](C)CC(N)=O 1847859361 IXVRVDGONJVZKT-JLZIYQQESA-N 402.455 -0.166 50 20 HBGD COCCCNC(=O)NNS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 145100395 PFFVZKOCQMUYTN-UHFFFAOYSA-N 406.486 -0.344 50 20 HBGD CCOC(=O)c1cc(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)ccc1F 728505439 GGDUXBDBNDQKAW-VIFPVBQESA-N 423.444 -0.318 50 20 HBGD O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)c1ccc2c(c1)OCO2 742472011 JGVJFPFWENGPMQ-MPTQWLOMSA-N 401.375 -0.271 50 20 HBGD O=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)NNc1ncnc2[nH]cnc12 743469215 DQSZEWVYFZQWHO-UHFFFAOYSA-N 419.423 -0.064 50 20 HBGD CC(C)(C(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1)S(C)(=O)=O 744619783 YMPDLHMAVCJUTD-UHFFFAOYSA-N 405.498 -0.026 50 20 HBGD COC(=O)c1cc2c(cc1NC(=O)C(=O)NNC(=O)Cn1nc(C)cc1C)OCO2 753841901 VKWKLUWIAWBFDD-UHFFFAOYSA-N 417.378 -0.199 50 20 HBGD CN1CCN(C(=O)c2ccccc2NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)CC1 755624191 QHGSZLJNPXDGIM-ZDUSSCGKSA-N 423.495 -0.338 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2ccc3ccn(C)c3c2)n(C)c1=O 756760271 NHMNJIRYJBZYPI-UHFFFAOYSA-N 424.421 -0.222 50 20 HBGD CSc1cccc(N2C[C@@H](C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)CC2=O)c1 758035947 OPPREARLCYUXBI-QWRGUYRKSA-N 414.509 -0.154 50 20 HBGD CC(C)NS(=O)(=O)NCCNC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1 759518754 ASWCESZZVAHCPC-NSHDSACASA-N 405.452 -0.244 50 20 HBGD COc1c(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cccc1C(N)=O 763572697 NUMNQWZPZPLJBO-AWEZNQCLSA-N 414.374 -0.280 50 20 HBGD CCCOc1cc(F)ccc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 764227732 QYHSDFGIYFFTRE-VIFPVBQESA-N 404.420 -0.362 50 20 HBGD CC[C@H](C)n1ncc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1C1CC1 764234848 ZYYWAADCDRCLMF-UWVGGRQHSA-N 414.488 -0.245 50 20 HBGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1cc(N2CCCC2=O)ccc1Cl 764430642 YANZFIPJAKYAMX-ZDUSSCGKSA-N 410.814 -0.032 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)n(C)c1=O 764515421 PHQIBBGAOKNKEA-DCAQKATOSA-N 405.484 -0.882 50 20 HBGD CSc1ccccc1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765726167 ZLOQWJGCYZGBAP-UHFFFAOYSA-N 402.436 -0.383 50 20 HBGD CC(C)Oc1ccc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cn1 765730872 PIRATCKSFBRDCR-UHFFFAOYSA-N 415.410 -0.923 50 20 HBGD CCOC(=O)c1[nH]c(C)c(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1C 768504071 DSBCYJDUEXAJSB-JTQLQIEISA-N 422.485 -0.512 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)c1cnn(CC(=O)NC2CCCC2)c1 772440676 MBDRFPLGKYHALS-UHFFFAOYSA-N 402.411 -0.274 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1nc2c(s1)CCCCCC2 789735780 UYHDZMZLPSCLBF-SECBINFHSA-N 417.513 -0.174 50 20 HBGD Cc1ccn(C[C@@](C)(O)C(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)c(=O)c1 790688872 ZSVWNBULRSNDSX-HXUWFJFHSA-N 412.402 -0.216 50 20 HBGD CCOC(C)(OCC)C(=O)NNC(=O)CCC(=O)N1CCN(c2ncccn2)CC1 807370481 KCLSHKZDEZCPNG-UHFFFAOYSA-N 422.486 -0.158 50 20 HBGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)CNS(=O)(=O)c1cccnc1 811479786 LURDRSUEPZHVAM-UHFFFAOYSA-N 421.435 -0.566 50 20 HBGD O=C1CNC(=O)c2ccc(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)cc2N1 814249550 RNSNYBXIQIJHBR-UHFFFAOYSA-N 406.362 -0.581 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)Cc3cc[nH]n3)CCO2)C1 1779037069 MGRNCVFWACBQAT-LJQANCHMSA-N 413.438 -0.906 50 20 HBGD CCNC(=O)N[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2 1779315387 MKZXWTWQNZFQAV-HNSFDTNUSA-N 418.922 -0.192 50 20 HBGD C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2)n1cnnn1 1782594755 BTXPNOBOKDGCIR-VPWBDBDCSA-N 400.867 -0.652 50 20 HBGD CC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783932838 HHPLBPSLYOXFEN-DNVCBOLYSA-N 411.503 -0.896 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCCCN1C)CCO2 1783932966 NGDQQOTZYZDPJZ-OXJNMPFZSA-N 409.531 -0.326 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCCOC3)C2)C1 1785499404 LFPSQQBBRMJIPW-VLIAUNLRSA-N 417.466 -0.445 50 20 HBGD N[C@@H](Cc1cscn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792978405 TYGMFIKXWYPJTJ-DKUYFVBVSA-N 402.904 -0.798 50 20 HBGD C[C@@H](NC(=O)c1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792984217 ZRSCDTQGXNBIHD-FMPTWSOUSA-N 423.897 -0.006 50 20 HBGD Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)nc1 1794861745 BWGOCRVMJHJVAD-HGKCTWBKSA-N 409.251 -0.413 50 20 HBGD CC[C@H](NC(N)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1796760970 NJPVGJDCEKXPJX-OXIQGZBJSA-N 417.470 -0.616 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnncc1C(=O)O)c1ccc(B(O)O)cc1 1798777951 IYDMDIQBJDIWNE-QDMKHBRRSA-N 424.222 -0.580 50 20 HBGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1nc3ncccn3n1)C2 1802335925 BIZIEHNYKBZORH-BTTYYORXSA-N 414.470 -0.251 50 20 HBGD O=C(NC[C@H]1CCN(C(=O)C2CC(O)C2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807363515 FDGGQAQKHVBOJO-OYGLOCFBSA-N 423.278 -0.148 50 20 HBGD O=C(C[C@H]1NC(=O)NC1=O)NC1CCN(C2CCN(C(=O)[C@H](F)Cl)CC2)CC1 1833761240 PXCRESYTLHPZMP-OCCSQVGLSA-N 417.869 -0.310 50 20 HBGD Cn1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)n1 1839197673 FCYVWQRXBZULGW-IINYFYTJSA-N 420.239 -0.424 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 1840155551 AMVIMCGGMLRYLR-CGSPGFDNSA-N 402.875 -0.411 50 20 HBGD N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)c3cnn[nH]3)CC2)cc1 729456564 SWTWTVBMMCDIGN-UHFFFAOYSA-N 403.424 -0.462 50 20 HBGD CS(=O)(=O)CCCNC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 732891363 FIHNTUIWSDUSKH-UHFFFAOYSA-N 411.528 -0.036 50 20 HBGD CCOC(=O)NCCC(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 735118745 YLHVHUGSYRWINV-UHFFFAOYSA-N 414.488 -0.403 50 20 HBGD CC(C)(C)OC(=O)N(CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)C[C@H]1CCCO1 741893710 DGLVDSUCKRSJCX-CHWSQXEVSA-N 419.500 -0.015 50 20 HBGD O=C(CSc1ccc(S(=O)(=O)N2CCOCC2)cn1)NNC(=O)C1CC1 742450226 ZYEZMLGRKKRRBY-UHFFFAOYSA-N 400.482 -0.248 50 20 HBGD C[C@H](C(=O)OCC(=O)NNC(=O)c1ccccc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 745442896 ZCRKVMSIDNIDMD-MQWZGVGHSA-N 415.402 -0.458 50 20 HBGD C[S@@](=O)CCNC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 745846436 XUTJCGLUPGQFAY-RUZDIDTESA-N 402.498 -0.206 50 20 HBGD CCOCC(=O)NNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 755408347 IWVWBCWZSVDWHM-UHFFFAOYSA-N 416.456 -0.095 50 20 HBGD COCCO[C@@H](C)C(=O)NNC(=O)NC1CCN(S(=O)(=O)C(C)(C)C)CC1 755897843 ZNKWVCCHXSVIDQ-LBPRGKRZSA-N 408.521 -0.039 50 20 HBGD CCS(=O)(=O)NCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 758043898 SUKPEVIBUAVXPQ-UHFFFAOYSA-N 418.497 -0.829 50 20 HBGD COc1ccccc1OCC(=O)NNC(=O)NCCNS(=O)(=O)NC(C)C 758856260 VURMGQSIVVPSIF-UHFFFAOYSA-N 403.461 -0.763 50 20 HBGD CNC(=O)Cn1cc(NC(=O)C(=O)NNC(=O)COc2ccc(C)c(C)c2)cn1 763666922 MPCHXZBEBVMWNH-UHFFFAOYSA-N 402.411 -0.589 50 20 HBGD CN1CCOc2ccc(NC(=O)C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)cc21 763917213 RIHUMHJAUMLOLY-UHFFFAOYSA-N 422.405 -0.109 50 20 HBGD CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NNC(=O)CC(F)(F)F 764117906 ZRAXXZUXJJFCJP-UHFFFAOYSA-N 422.385 -0.074 50 20 HBGD C[C@H](C(=O)Nc1cccc(NC(=O)C(=O)NNC(=O)CN(C)C)c1)n1cccn1 764204879 VENQJXPKHAZGPU-GFCCVEGCSA-N 401.427 -0.270 50 20 HBGD CCOCC(=O)NNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OCC 764317191 JGEXVRZITDGSTF-UHFFFAOYSA-N 416.456 -0.542 50 20 HBGD CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 770642946 ARRMKMVRAKINNN-NSHDSACASA-N 419.529 -0.295 50 20 HBGD COC(=O)c1c[nH]nc1S(=O)(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1 912520609 CZHDDQRKSMGEPP-UHFFFAOYSA-N 414.396 -0.155 50 20 HBGD CC(C)n1nc(C(=O)NNC(=O)CN2CCCS2(=O)=O)c2ccccc2c1=O 916092813 ILECWNVAPBCQRA-UHFFFAOYSA-N 407.452 -0.226 50 20 HBGD O=C(NCCS(=O)(=O)N1CCOCC1)NNC(=O)c1cncn1-c1ccccc1 1324978883 HIZYVKVPFGJWHN-UHFFFAOYSA-N 422.467 -0.522 50 20 HBGD C[Si](C)(C)OCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCO2 1779297169 UERXXEBNYYLIHC-SJLPKXTDSA-N 415.563 -0.682 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)C1 1781097356 BACBYEIRXXJSRK-GJYPPUQNSA-N 416.950 -0.294 50 20 HBGD Cc1ncncc1C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783935340 MWYRIPIYVZQJJX-IBGZPJMESA-N 404.471 -0.398 50 20 HBGD COc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)n(C)n1 1783937019 ZYFMVIYZRRTPGO-IBGZPJMESA-N 422.486 -0.755 50 20 HBGD CCNC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784092106 HHAPQUFCPQASNH-HTOAHKCRSA-N 404.895 -0.727 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cn(C)cn3)[C@H]2C1 1786201093 BITGHYUKOFTHLK-DZKIICNBSA-N 406.487 -0.614 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)c1cc2cccnn2n1 1789140805 PTXHGXXFOPNDPJ-MZGVZZPPSA-N 407.858 -0.078 50 20 HBGD CC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(CCO)CCO)C[C@@H]21 1789865642 YWUWLMAJXGZYHZ-JONQDZQNSA-N 405.923 -0.730 50 20 HBGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)N(C)C 1792623432 JMKAINQIEJOKAH-FMSGJZPZSA-N 419.320 -0.122 50 20 HBGD COC(=O)C12CC(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@H](O)CCl)(C1)C2 1792983741 MWXMHMKGWGYOIQ-BNDXCKPFSA-N 400.859 -0.481 50 20 HBGD O=C1NCCn2nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C(Cl)Cl)cc21 1801016029 NTQBWLHEMMHIHT-BZBKMWRSSA-N 416.265 -0.367 50 20 HBGD O=C(NC[C@@H]1CCN(C(=O)CN(CCO)CCO)[C@@H]1c1cccnc1)[C@H](F)Cl 1808322481 TZPWMEXUNNKRTQ-UAGQMJEPSA-N 416.881 -0.092 50 20 HBGD N=C(N)NCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1826826576 ABUFGKMPYMMUEK-QGZVFWFLSA-N 415.303 -0.917 50 20 HBGD O=C(c1ccc([N+](=O)[O-])o1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830719701 HYVOKUSWYWQXFR-BZNIZROVSA-N 417.802 -0.143 50 20 HBGD CCc1nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)co1 1830732928 YSOBLQVQHXXHHE-SUMWQHHRSA-N 401.847 -0.093 50 20 HBGD C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](Cl)COC)C2)C1 1831401433 BVMKECLXFUFYGO-IIDMSEBBSA-N 402.875 -0.265 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnnc3O)CCO2)C1 1838376282 BDNQXKQRJPILCS-CXAGYDPISA-N 414.846 -0.494 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CC(F)(F)F)C2)C1 1840183824 BZCJMZGYKCFIDE-INIZCTEOSA-N 424.420 -0.232 50 20 HBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)[C@H]1CCC(=O)N1 729838599 YWGMTGUQPWJGNK-OAHLLOKOSA-N 424.479 -0.934 50 20 HBGD CS(=O)(=O)N1CCCC[C@H]1C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1 744773063 LMWVXECPBXUXMZ-AWEZNQCLSA-N 408.436 -0.323 50 20 HBGD COC(=O)c1cn(CC(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)nn1 747413099 ITZGIEOUPCVGEB-UHFFFAOYSA-N 424.439 -0.771 50 20 HBGD CC(C)N1C[C@@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1=O 750644373 RBYCIRVUYWHJDK-ZDUSSCGKSA-N 411.484 -0.110 50 20 HBGD C[C@]1(CCC(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CCC(=O)N1 751520828 PWJKDYNPNUODPW-IFXJQAMLSA-N 405.407 -0.034 50 20 HBGD Cc1c(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)nnn1-c1ccc2ncccc2c1 758044912 ADRPNPIRAHLYAF-SNVBAGLBSA-N 417.451 -0.177 50 20 HBGD CCCS(=O)(=O)Nc1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)c1 764432605 ILZIZCZHXKPUTD-ZDUSSCGKSA-N 414.440 -0.660 50 20 HBGD CC(C)Oc1ccc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)nc1 768054538 KGKCDEMAQLYAKZ-UHFFFAOYSA-N 415.410 -0.923 50 20 HBGD O=C(NNC(=O)[C@@H]1CC(=O)N(c2c(F)cccc2F)C1)[C@@H]1CCS(=O)(=O)C1 770607118 SANUCXTTXNAPQH-NXEZZACHSA-N 401.391 -0.100 50 20 HBGD CSc1cccc(F)c1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 798980258 JELJDVWGVLWOGN-UHFFFAOYSA-N 420.426 -0.244 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NN=C2CC(C(=O)O)(c3ccccc3)C2)n(C)c1=O 814877702 WJQGRWKXGVKDFT-UHFFFAOYSA-N 424.417 -0.278 50 20 HBGD Cc1c(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)ccn1C(C)C 815827279 SAFOLLHKNRDZKQ-UHFFFAOYSA-N 401.427 -0.414 50 20 HBGD CN(NC(=O)CCn1ncn(C)c1=O)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 816087912 QILVBQYEKYJEHP-UHFFFAOYSA-N 411.463 -0.392 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NN=Cc2cn(C)c(=O)n(C)c2=O)cc1 839393702 OXFOSWUQVGEGDR-UHFFFAOYSA-N 407.452 -0.837 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Cc2ccc3ccccc3c2)n(C)c1=O 917196275 LEUOLXIQWOXOEC-UHFFFAOYSA-N 420.429 -0.023 50 20 HBGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)C1=CC=CN2CCS(=O)(=O)N=C12 921235298 OSTAXISYLVZKNK-CQSZACIVSA-N 404.404 -0.529 50 20 HBGD COc1coc(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)cc1=O 1160865513 OXZDQKUYXUGXHT-UHFFFAOYSA-N 423.451 -0.264 50 20 HBGD Cn1nc(SCC(=O)NN=Cc2c[nH]nc2-c2cccnc2)c(=O)n(C)c1=O 1317760986 ZMLWUZLAAQESBV-UHFFFAOYSA-N 400.424 -0.494 50 20 HBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNCP(=O)(O)O)C2)[C@H](F)Cl 1778023293 WRFHEDHGLZHYRM-SCDSUCTJSA-N 415.786 -0.241 50 20 HBGD Cc1cc(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)ccn1 1779516641 JXIOXKYUANTEJI-NRFANRHFSA-N 409.251 -0.173 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccn4c(O)nnc34)C[C@@H]21)[C@@H](O)CCl 1784090890 PZBCQESBMGLURK-PYJNHQTQSA-N 423.857 -0.372 50 20 HBGD C[C@](O)(CC(=O)O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1791279815 FNJPZMKQPQVKKP-QHRNJGFCSA-N 406.863 -0.818 50 20 HBGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Cl)[C@H]1SC(=N)NC1=O 1796363705 YWSOISFXALQKBP-IMHINIOTSA-N 406.867 -0.087 50 20 HBGD C[C@H](CN)C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807370360 BJPRQAHNFDWJSH-LSBZLQRGSA-N 410.283 -0.324 50 20 HBGD O=C(COCCO)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827052187 CJFQCDOPLLGHAK-LJQANCHMSA-N 418.299 -0.391 50 20 HBGD Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c(O)n1 1838667572 KUBRSMHCGHIESH-RDTXWAMCSA-N 413.858 -0.235 50 20 HBGD COc1ccc(C(=O)NNC(=O)NNC(=O)CNC(=O)c2ccco2)cc1OC 725871809 QWHZTYMUFHUCKE-UHFFFAOYSA-N 405.367 -0.298 50 20 HBGD O=C(CCN1C(=O)CCC1=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 726071709 NSGCBEXSLJFAGM-UHFFFAOYSA-N 422.463 -0.229 50 20 HBGD CS(=O)(=O)N1CCCC[C@@H]1C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1 744773165 MPMZEWRZZOBTHV-CQSZACIVSA-N 408.436 -0.323 50 20 HBGD NS(=O)(=O)c1ccc(Br)c(C(=O)NNC(=O)N2CCOCC2)c1 745995771 AUIDLKGPJLEKFQ-UHFFFAOYSA-N 407.246 -0.217 50 20 HBGD CS(=O)(=O)N1CCN(CCNC(=O)NNC(=O)c2cc3c(s2)CCC3)CC1 749352153 GOQQPUVEEKJVGB-UHFFFAOYSA-N 415.541 -0.242 50 20 HBGD Cc1nc(S(=O)(=O)NCC(=O)OCC(=O)NNC(=O)c2ccccc2)cn1C 750621559 RAJSKAAIPQXPHS-UHFFFAOYSA-N 409.424 -0.989 50 20 HBGD CC(=O)NC[C@@H]1CCn2ncc(C(=O)NNC(=O)CCN3C[C@H](C)O[C@@H](C)C3)c2C1 754173413 DRGSAPHRXZONTE-OFQRWUPVSA-N 420.514 -0.158 50 20 HBGD CC(C)NS(=O)(=O)NCCNC(=O)NNC(=O)c1ccc2c(c1)OCCO2 759518303 ZDEPZZKNXWWXPO-UHFFFAOYSA-N 401.445 -0.766 50 20 HBGD Cn1c(=O)c2cc(C(=O)NNC(=O)CCNC(=O)OC(C)(C)C)n(C)c2n(C)c1=O 760439340 JXRIVLXFEHAZRW-UHFFFAOYSA-N 422.442 -0.749 50 20 HBGD CS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2F)cn1 763682085 WUMRWDDSVHIYEN-UHFFFAOYSA-N 410.383 -0.211 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc(F)cc(Cl)c2)n(C)c1=O 765725501 SYYXURLTFMWIDV-UHFFFAOYSA-N 408.777 -0.313 50 20 HBGD C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)CNc1ccccc1 770952183 LGIZGSHDPWFTCI-LBPRGKRZSA-N 419.463 -0.288 50 20 HBGD COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CCN(C(=O)CN(C)C)CC1 771795615 QBBDTSLOYBVSSA-UHFFFAOYSA-N 411.890 -0.185 50 20 HBGD COc1cc2ncn(CCCC(=O)NNC(=O)C(=O)NC(C)C)c(=O)c2cc1OC 789870953 FMZTWTDUEOKFOO-UHFFFAOYSA-N 419.438 -0.134 50 20 HBGD CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)NNC(=O)CNC(=O)c1cccnc1 803204937 ZPCHRCWNEKYYTB-CQSZACIVSA-N 421.454 -0.015 50 20 HBGD O=C(CCNS(=O)(=O)c1ccccc1F)NNC(=O)N[C@H]1CCS(=O)(=O)C1 920212385 HYHMBRQNFKFYBQ-JTQLQIEISA-N 422.460 -0.988 50 20 HBGD CCS(=O)(=O)c1ccc(CCC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 1323024449 HSKURCQQKFCNRD-ZDUSSCGKSA-N 402.494 -0.005 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CC1(F)F)CCO2 1779031782 FTRVBXDEYPPHFR-CXAGYDPISA-N 409.393 -0.216 50 20 HBGD C[Si](C)(C)OCC(=O)N1CC[C@]2(C1)CN(C(=O)CN1CC(=O)NC1=O)CCO2 1779294800 ZUHRWVMLGQPEDY-KRWDZBQOSA-N 412.519 -0.780 50 20 HBGD CC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)CN3CCN(C(C)=O)CC3)CCO2)C1 1781219988 WTKHJMHRITVZQF-APWZRJJASA-N 414.934 -0.002 50 20 HBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)[C@H]1CCCO1 1781971434 WARHASFTOKMKJM-DBXWQHBBSA-N 416.283 -0.327 50 20 HBGD CN(CC(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2)C(=O)C(=O)O 1782744739 FEYFRTNAXVLDAZ-KRWDZBQOSA-N 403.863 -0.376 50 20 HBGD COC1(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)CCC1 1784864816 CISAEJBSYYCEDS-NRFANRHFSA-N 416.283 -0.231 50 20 HBGD COCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1786634901 ZMRWNYFACFPLLN-RCBQFDQVSA-N 405.455 -0.685 50 20 HBGD CC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNCP(=O)(O)O)[C@H]2C1 1786791310 SQQQVFNTPILKOM-CYDGBPFRSA-N 411.823 -0.292 50 20 HBGD CC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)N3CCOCC3)[C@H]2C1 1788655564 GZWYFGGNHRLKOS-QHLBIMPKSA-N 403.907 -0.366 50 20 HBGD COc1ncccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1794728683 ACDKMQSGCRQGFN-ZSBFGKGUSA-N 419.482 -0.334 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1cnn2cccnc12 1796191402 HTJBIRFFJSZMRH-BJWYYQGGSA-N 419.250 -0.025 50 20 HBGD CCN(C)[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1800163352 NXQUXELHZIJKIS-ZJOBFFGXSA-N 418.498 -0.772 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC3(F)F)C2)C1 1835937473 YQLKCHHAXITDNR-QAPCUYQASA-N 424.209 -0.908 50 20 HBGD CC(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839202942 UREUHXIMSUHQCJ-TZMCWYRMSA-N 410.240 -0.731 50 20 HBGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(N)=O)C2)C1 1839967147 CCTNKTJRNXXQSY-NHYWBVRUSA-N 421.292 -0.715 50 20 HBGD CN(C)C(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840187220 NHVUKCLJURJUDE-OAHLLOKOSA-N 411.286 -0.482 50 20 HBGD Cn1ncc2c(=O)n(CC(=O)NNC(=O)c3nn(-c4ccccc4)cc3O)cnc21 11677051 IXSRXFNOAOMAKW-UHFFFAOYSA-N 408.378 -0.518 50 20 HBGD COc1cc(C(=O)NNC(=O)Cn2nc(C)cc2C)cc(OC)c1OCC(N)=O 15758375 BNPXHXHLQVBNFM-UHFFFAOYSA-N 405.411 -0.158 50 20 HBGD O=C(O)c1cc2c(c(S(=O)(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)c1)CCC2 108361440 ISEJAEAFGOCNTL-JTQLQIEISA-N 402.450 -0.382 50 20 HBGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NCCN2C(=O)CCC2=O)nc1 733847742 GEJOGGGSLXEECV-UHFFFAOYSA-N 412.472 -0.113 50 20 HBGD NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)NNC(=O)CCc1ccco1 748265354 HPKVZOXTVFDULG-UHFFFAOYSA-N 408.392 -0.385 50 20 HBGD CS(=O)(=O)N1CC[C@H](CNC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)C1 753093358 MGIYSJWSMRFNSW-GFCCVEGCSA-N 422.467 -0.197 50 20 HBGD Cn1cnc(S(=O)(=O)NCC(=O)NNC(=O)c2cccc(Br)c2)c1 756097562 CDWWQHMYGYETDX-UHFFFAOYSA-N 416.257 -0.078 50 20 HBGD Cc1c(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)nnn1-c1ccccc1Cl 758045099 BLSSQIFPIWFEJG-QMMMGPOBSA-N 400.848 -0.072 50 20 HBGD Cc1c(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cnn1-c1ccccc1 764227258 MHBOXEAPCOYHJI-SNVBAGLBSA-N 408.440 -0.796 50 20 HBGD N#Cc1ccc(-n2ccc(NC(=O)C(=O)NNC(=O)[C@H]3COCCO3)n2)c(Cl)c1 764426438 USQKNPNELGUARM-CYBMUJFWSA-N 418.797 -0.101 50 20 HBGD CCN1CCC[C@@H]1CN1C[C@H](C(=O)NNc2nc(O)c3cnn(C)c3n2)CC1=O 770971553 KKLAWSWXGWDRNS-VXGBXAGGSA-N 402.459 -0.155 50 20 HBGD Cn1cnc2c1c(=O)n(CC(=O)NNc1ccnc(Br)c1)c(=O)n2C 771534482 GICCYCRCWGHKEO-UHFFFAOYSA-N 408.216 -0.266 50 20 HBGD Cc1cc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc(Cl)n1 777813055 LEQJMDMRHPLHIQ-UHFFFAOYSA-N 405.802 -0.748 50 20 HBGD O=C(CNC(=O)c1cccc(O)c1)NNC(=O)c1csc(N2CCOCC2)n1 778292424 RMRQDIKRLYYDHK-UHFFFAOYSA-N 405.436 -0.124 50 20 HBGD Cc1csc(CC(=O)NNC(=O)CN(C)Cc2ccccc2S(N)(=O)=O)n1 814654768 OOAJIBIHOZHBFP-UHFFFAOYSA-N 411.509 -0.079 50 20 HBGD O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)NNC(=O)c1csc(N2CCOCC2)n1 912852087 JTDUZCUGEDUNNZ-TXEJJXNPSA-N 421.479 -0.084 50 20 HBGD COCC(=O)NNC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 913161573 NQDSMFVYVWOCKF-ZDUSSCGKSA-N 415.468 -0.254 50 20 HBGD O=C(COc1ccccc1F)NNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 914829777 UFXGYWRNAJEPEY-NWDGAFQWSA-N 413.427 -0.613 50 20 HBGD Cn1c(=O)c2cc(C(=O)NNC(=O)c3ccc4c(c3)OCCO4)n(C)c2n(C)c1=O 919697472 VNUSRMAUSZUHJZ-UHFFFAOYSA-N 413.390 -0.578 50 20 HBGD COc1ccc(C(=O)NNC(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)cc1OC 1322948137 CUPMPAHPUPOCQD-NSHDSACASA-N 400.457 -0.071 50 20 HBGD O=C1Nc2c(cccc2C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)C1=O 1778706823 FELAKIYIKRYSEA-ORAYPTAESA-N 421.837 -0.135 50 20 HBGD CCNC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1788563028 UCNLSQCJEBOPBQ-QMVSFRDZSA-N 404.895 -0.727 50 20 HBGD O=C(Cn1ccccc1=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796191288 VOJFQMPCQJZIOE-BCDXTJNWSA-N 409.251 -0.520 50 20 HBGD CN1CCN(CC(=O)NC[C@@H]2CCN(C(=O)[C@H](O)CCl)[C@H]2c2cccnc2)CC1 1809599292 MZXFABMOWCGYBB-SCTDSRPQSA-N 423.945 -0.066 50 20 HBGD CC(=O)NCC(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809980622 YHFKNIPUYXKEOP-UHFFFAOYSA-N 401.272 -0.653 50 20 HBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC(=O)O)CC2 1826089818 POWCGUPNKWNZRM-JTQLQIEISA-N 407.452 -0.484 50 20 HBGD C[C@@H](NC=O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827056260 CLWZVRFSERVJGP-BEFAXECRSA-N 415.299 -0.266 50 20 HBGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)C1CC(O)C1)CCO2 1830581004 YBLFCACXUFMNLC-SEEARECTSA-N 405.289 -0.001 50 20 HBGD O=C(c1ccc2nncn2c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830730790 DUCGAHOKVSNBMV-RDTXWAMCSA-N 423.857 -0.601 50 20 HBGD O=C([C@H](F)Br)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830733724 RLWNWMDPZLUKEK-OUJBWJOFSA-N 417.659 -0.267 50 20 HBGD NC(=O)CC[C@H](N)C(=O)N1CCC(N2CCC(NC(=O)[C@H](F)Cl)CC2)CC1 1835080449 VQZWBGWXXAORHA-ZFWWWQNUSA-N 405.902 -0.315 50 20 HBGD C[C@@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2 1835316979 WOVNCTMTTNCWQR-HSMVNMDESA-N 418.288 -0.495 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2cnn3cccnc23)C1 1844027914 CFMYGFZUJKWXNU-UHFFFAOYSA-N 420.433 -0.141 50 20 HBGD COc1ccc(C(=O)NNC(=O)CN2CCC[C@H](NS(C)(=O)=O)C2)cc1OC 108184037 SCTSEMVQVIPNDB-ZDUSSCGKSA-N 414.484 -0.522 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=S)NCCS(C)(=O)=O)cc1 729157969 OBAQKQVWJHENOI-UHFFFAOYSA-N 422.554 -0.845 50 20 HBGD C[C@H]1CN(CCC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccccc2)C[C@@H](C)O1 732263175 LHEGDPAESORODU-GASCZTMLSA-N 412.512 -0.046 50 20 HBGD Cn1cc(C(=O)NNC(=O)[C@@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)cn1 735446171 AWDODXCEPLTZQA-HWYHOQROSA-N 410.434 -0.016 50 20 HBGD CN1CC(=O)N(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C1=O 747405382 CRUKTJWAQOZQCZ-UHFFFAOYSA-N 423.451 -0.874 50 20 HBGD CS(=O)(=O)N1CCN(c2ccc(NC(=O)NNC(=O)Cc3cc[nH]n3)cn2)CC1 756549013 MKCKAKWUGGVVBJ-UHFFFAOYSA-N 422.471 -0.718 50 20 HBGD CNC(=O)Cn1cc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cn1 757867100 QHGBYYCVKVTDQZ-UHFFFAOYSA-N 423.455 -0.654 50 20 HBGD Cc1cccc(O[C@@H](C)C(=O)NNC(=O)CN2CCN(S(C)(=O)=O)CC2)c1C 759623349 YLTFZXNSDCHKFX-HNNXBMFYSA-N 412.512 -0.205 50 20 HBGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 760440514 ZIEWLMQQIZSMOW-YIKOMLBNSA-N 424.454 -0.399 50 20 HBGD Cn1cc(C(=O)NNC(=O)[C@@H]2CCCC[C@H]2C(=O)NNC(=O)c2cnn(C)c2)cn1 761169406 ONPRDHFLYPJTEA-ZIAGYGMSSA-N 416.442 -0.818 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NNC(=O)C1CC1 763561328 FAVPEZBSIIRTCA-UHFFFAOYSA-N 410.452 -0.488 50 20 HBGD CC(C)OCc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1 764226067 FDVQOIYWEDUPLG-LLVKDONJSA-N 400.457 -0.365 50 20 HBGD COC(=O)c1cc(Cl)ccc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 764233373 WFAYMEUAVXIZLI-ZETCQYMHSA-N 420.831 -0.850 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2ccc([N+](=O)[O-])c(O)c2)n(C)c1=O 764818917 XRKFCRPHFZVPEL-UHFFFAOYSA-N 401.339 -0.802 50 20 HBGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)c1cc(S(N)(=O)=O)ccc1O 769783479 DLKVNDTYOQMQJD-UHFFFAOYSA-N 421.431 -0.105 50 20 HBGD Cc1noc(-c2ccccc2)c1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 773495616 DRWCNNPRKWEFNO-SNVBAGLBSA-N 409.424 -0.326 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(OC(F)F)c(F)c1 790342145 WKFPFLUPRXESRG-ZCFIWIBFSA-N 405.376 -0.326 50 20 HBGD Cc1ccc(S(=O)(=O)NNC(=O)N(C)C)cc1S(=O)(=O)N1CCOCC1 790391984 PTSNGRIAVYKNMY-UHFFFAOYSA-N 406.486 -0.520 50 20 HBGD Cn1cc([C@H]2[C@H](C(=O)NNC(=O)C(=O)N3CCCC3)CC(=O)N2C(C)(C)C)cn1 795059874 DMUSBZHENHETCM-HIFRSBDPSA-N 404.471 -0.122 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCC2([S@@](C)=O)CC2)cc1 799714486 VTBISCUIZWNZAM-AREMUKBSSA-N 416.525 -0.143 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCc3cncn3C)nc2)CC1 812488758 GQRDAZCAZQLBDB-UHFFFAOYSA-N 408.488 -0.423 50 20 HBGD Cc1cc(C)n(CC(=O)NNC(=O)NCCS(=O)(=O)NCc2ccccc2)n1 916645258 KTCJXKRHKRNRDK-UHFFFAOYSA-N 408.484 -0.050 50 20 HBGD Cc1nnsc1C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 921232408 BBEJSXFSOURSQR-UHFFFAOYSA-N 411.465 -0.058 50 20 HBGD CC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1c(C)nn(CCS(C)(=O)=O)c1C 1319360436 HCDDHHKEODDNMQ-CYBMUJFWSA-N 419.529 -0.245 50 20 HBGD COC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)CO[Si](C)(C)C)C2)C1 1779298992 SMFDJNNVHPALAT-YJBOKZPZSA-N 415.563 -0.181 50 20 HBGD COC[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786983512 RAUPKPZNAPBNCH-IKICRFKJSA-N 404.272 -0.758 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cccn3)[C@H]2C1 1787103795 KQBUBNZMULIYLV-JYJNAYRXSA-N 406.487 -0.764 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Cl)[C@H]2C1 1787446586 ROVRHKBUXJJEEP-HBEIAFGSSA-N 413.837 -0.187 50 20 HBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3C[C@H]3F)C[C@@H]21 1788610152 MZEMYJZRWGOZQU-QJXWRWMASA-N 405.430 -0.364 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[C@@H]1CCCCO1 1792565368 SRNDTYRNWODBAU-MVJTYMMSSA-N 402.256 -0.861 50 20 HBGD O=C1CC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCBr)C3)CN1 1792579154 QHBYOXUYLDFRAG-MCYUEQNJSA-N 402.289 -0.113 50 20 HBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1cnccn1 1793311292 VRWXUYRYDNZQDC-YOWGUQMCSA-N 409.450 -0.030 50 20 HBGD CC(C)(NCCC#N)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796187213 QYAORTDWTKEBNM-BCDXTJNWSA-N 412.299 -0.100 50 20 HBGD COCCn1nccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1796585341 WUQIXWKCVASEIE-AYRXBEOTSA-N 400.863 -0.668 50 20 HBGD COC[C@H](NC(C)=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](O)CCl)CC2 1820184160 NICSOEAWNAKYKR-DLOVCJGASA-N 418.903 -0.194 50 20 HBGD O=C(COCCO)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1820923004 HHNNMEUVEDBAGI-INIZCTEOSA-N 416.243 -0.596 50 20 HBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1C[C@H](O)CN1)CC2 1826088776 OKPXTXBOCHKNOV-MDZLAQPJSA-N 424.527 -0.849 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCC(=O)NC1)CCO2 1829959854 JXIJZENKYCUOCR-DEYYWGMASA-N 417.890 -0.777 50 20 HBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CNC(=O)O1)CCO2 1831576668 VFTCDHCHTFVGID-ZIBATOQPSA-N 420.260 -0.665 50 20 HBGD CCC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1831640943 TUBKKKDXEWKEIG-IGCXYCKISA-N 403.863 -0.041 50 20 HBGD Cn1ncnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1833842470 NMLWYRKMMBNQJH-QGZVFWFLSA-N 411.535 -0.263 50 20 HBGD O=C([C@@H](F)Br)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C=CCN3)C2)C1 1839199266 LEKRVZKUFYVGLN-YWPYICTPSA-N 406.252 -0.339 50 20 HBGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1)n1cccn1 1840438786 PCABSHAWIYNGED-KEYYUXOJSA-N 400.863 -0.500 50 20 HBGD CCOC(=O)C1(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)CC1 1843014919 PRWRRHVWUDETPQ-UHFFFAOYSA-N 400.240 -0.473 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cc(Br)ccc1F 728509774 MWXOHUHNSJGOBJ-LURJTMIESA-N 418.266 -0.165 50 20 HBGD O=C(NNC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)C(=O)NC1CC1 730519433 LUOBUBVCNIMFFF-CQSZACIVSA-N 408.480 -0.346 50 20 HBGD CC(C)(C(=O)NNC(=O)NCCN1CCN(S(C)(=O)=O)CC1)c1ccccc1 731220282 BDNKEOBVCQSLDU-UHFFFAOYSA-N 411.528 -0.128 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@H](C)CS(C)(=O)=O)cc1 746815785 FEWWNTUNJMFNRL-GFCCVEGCSA-N 405.498 -0.556 50 20 HBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)ccc1Cl 757471145 DKSPUPNVTLJUEN-MRVPVSSYSA-N 410.857 -0.129 50 20 HBGD N#Cc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F 763809542 WOSQNCLXHOGIJD-UHFFFAOYSA-N 424.352 -0.162 50 20 HBGD C[C@@H](c1ccccc1)n1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)n1 764227951 SSEQUWDQRGLHAB-NEPJUHHUSA-N 422.467 -0.484 50 20 HBGD CCc1ccc(-c2cc(C(=O)NNC(=O)Cn3cc(S(N)(=O)=O)cn3)n[nH]2)cc1 765571206 GIAGDXKJXJLYJZ-UHFFFAOYSA-N 417.451 -0.056 50 20 HBGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)NC1CCN([C@@H]2CCC[C@H]2O)CC1 767938093 QTKGFZGUCUNAMM-IAGOWNOFSA-N 414.470 -0.016 50 20 HBGD CC(=O)Nc1cncc(C(=O)NNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 773071376 ZSZBVEUHGLPQFR-UHFFFAOYSA-N 416.419 -0.460 50 20 HBGD CNC(=O)Cn1cc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2cccc(Cl)c2)cn1 774001470 GWQHEPTXNMBKSA-JTQLQIEISA-N 422.829 -0.164 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C2(S(C)(=O)=O)CCC2)c1 792807734 RLJHTGPUVCRABR-UHFFFAOYSA-N 403.482 -0.335 50 20 HBGD COc1cc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c(C)c(OC)c1 800623862 YZNKAFXLZRGRAF-VIFPVBQESA-N 402.429 -0.964 50 20 HBGD CCCNS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)C(=O)NC(C)C)cc1 808071219 RPGMHKWMCFKIAQ-UHFFFAOYSA-N 406.486 -0.791 50 20 HBGD COCCn1nnc2c1CCN(C(=O)NNC(=O)c1ccc(-n3cnnn3)cc1)C2 814358618 QLTQUBFCPOWENU-UHFFFAOYSA-N 412.414 -0.687 50 20 HBGD CCCNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)[C@H]2CCCO2)c2ccccc2O1 815778274 JYCZPHSROLYZLT-CABCVRRESA-N 404.423 -0.367 50 20 HBGD C=CCN1C(=O)C(=O)N(CC(=O)NNc2ccccc2S(=O)(=O)N(C)C)C1=O 817052768 ONYWBHCDPDVTDR-UHFFFAOYSA-N 409.424 -0.643 50 20 HBGD Cn1cc(C(=O)NNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c2ccccc21 914830659 NPAVEFFADGCGPU-OLZOCXBDSA-N 418.475 -0.025 50 20 HBGD O=C(COC(=O)[C@@]12CCC(=O)N1CCS2)NNC(=O)c1ccc([N+](=O)[O-])cc1 916532301 HZEYYVXKQMIRAJ-INIZCTEOSA-N 408.392 -0.036 50 20 HBGD O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)Cn1cnc([N+](=O)[O-])n1 918548935 DMDJHKFPSDLILR-UHFFFAOYSA-N 402.415 -0.454 50 20 HBGD Cc1cc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c2ccccc2n1 920429255 XGHSVBGWLWTKFX-UHFFFAOYSA-N 421.417 -0.248 50 20 HBGD CN(C)N(C(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1)[C@@H]1CCS(=O)(=O)C1 1324347822 CPNJEPMCZBYPDZ-CQSZACIVSA-N 419.525 -0.595 50 20 HBGD CN1C(=O)CC[C@H]1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2 1780787414 PEGFUKUQANVSBV-HNSFDTNUSA-N 401.891 -0.279 50 20 HBGD NC(=O)[C@H](N)CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781331039 JSVIEGOVJAJNQZ-OLUVUFQESA-N 409.256 -0.900 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(C(=O)O)ncn3)CCO2)C1 1783872535 AVTXZUZPLQPQLI-DIFFPNOSSA-N 412.830 -0.128 50 20 HBGD CCC[C@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784097302 XYOHSCFCDMSRTJ-GVRJEKJASA-N 403.907 -0.129 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCCN3C)[C@H]2C1 1784829155 DEPDCGONXCOBKS-QAETUUGQSA-N 409.531 -0.567 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ccncc1 1785950334 XUAVIUGHOVXANX-WDSOQIARSA-N 409.251 -0.332 50 20 HBGD CC[C@H](C)[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786980108 JVESXVNHLUFWKR-SKMQDVENSA-N 418.299 -0.633 50 20 HBGD COC(=O)C1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnccc2C(=O)NN)CC1 1798442980 LAXRHZMIEYSQER-CLLJXQQHSA-N 415.450 -0.110 50 20 HBGD COC(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)CBr)C2 1801200576 DZHOICUFSZNAGV-HNCHTBHHSA-N 406.277 -0.037 50 20 HBGD C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCC(=O)NN(C)C 1802334150 JAFCXDGKYYPJMF-APIJFGDWSA-N 416.544 -0.322 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822203512 AQRIFVGHWCRZRK-ZDUSSCGKSA-N 404.427 -0.137 50 20 HBGD O=C(Cc1cscn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830724841 ZBINOUIBEZYTQT-CZUORRHYSA-N 403.888 -0.258 50 20 HBGD CCOC(=O)O[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830736067 QXDNHRBRJIPCEZ-XNJGSVPQSA-N 422.862 -0.396 50 20 HBGD CCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](Cl)COC)C2)C1 1831192315 XNVGKQQLBFTAGK-HBUWYVDXSA-N 419.906 -0.389 50 20 HBGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)Cn3nccn3)C2)C1 1834823794 KYOJXAFWSBQAIB-OAHLLOKOSA-N 416.276 -0.481 50 20 HBGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@H](NC)C(=O)O)CCO2)C1 1835752923 WTDOHHVTFBPIKO-DEYYWGMASA-N 419.906 -0.087 50 20 HBGD C[Si](C)(C)OCC(=O)NC1CCN(C2CCN(C(=O)CNC(=N)N)CC2)CC1 1835833532 ORSNXZSBZNLLPM-UHFFFAOYSA-N 412.611 -0.107 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CSC(=N)N)C2)C1 1840151609 ILMGWUOKPMRSHT-ABAIWWIYSA-N 408.908 -0.677 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccon3)C2)C1 1840183637 QPYDULWMMMFXIS-SFHVURJKSA-N 409.443 -0.882 50 20 HBGD CS(=O)(=O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840188134 PWEIBZVRMVQOHU-ZDUSSCGKSA-N 403.284 -0.709 50 20 HBGD CC(=O)NCCC(=O)N1CC2(CCCN2C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C1 1843416848 HJLWUGFKGKYQTK-LPYMAVHISA-N 402.455 -0.150 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)C[C@@H](N)c1cccnc1)C2 1844263864 CSSAOGKIXIDWHT-QGZVFWFLSA-N 423.477 -0.013 50 20 HBGD Cc1ccc(C(=O)NNC(=O)CN2CCN(C(=O)CN3CCOCC3)CC2)cc1 10095142 YAFPGNNVPMSTJQ-UHFFFAOYSA-N 403.483 -0.768 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CNC(=O)c2ccc(O)cc2)c1 727482747 RRMBFQSSXNMYSU-UHFFFAOYSA-N 420.447 -0.167 50 20 HBGD Cc1c(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)nnn1-c1cccc(Cl)c1 729277256 XGHCZGBKCXJVBY-MRVPVSSYSA-N 400.848 -0.072 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CCC(=O)N1CCc2sccc2C1 729277301 YSYZCHWDQPLBLN-JTQLQIEISA-N 402.498 -0.502 50 20 HBGD CN(C)C(=O)CN1CCC(NC(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2O)CC1 745812412 PBEBDLGFFMBGAP-UHFFFAOYSA-N 408.415 -0.203 50 20 HBGD CS(=O)(=O)CCn1ccc(NC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)n1 756758192 GCNBTYZOGDUNFQ-ZDUSSCGKSA-N 409.424 -0.080 50 20 HBGD N#Cc1cccc(C(=O)NNC(=O)CN(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c1 760887635 GRUVDUZSGUCGQV-IAGOWNOFSA-N 420.491 -0.013 50 20 HBGD O=C(CNC(=O)c1cccnc1)NNC(=O)CNC(=O)c1ccc(Br)o1 763818946 RBPNFZZTSARTQA-UHFFFAOYSA-N 424.211 -0.256 50 20 HBGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)CCCN1C(=O)CN(C)C1=O 767273405 VNGOQCKANCVMPV-UHFFFAOYSA-N 404.423 -0.098 50 20 HBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)CN1C(=O)c2ccccc2S1(=O)=O 771900272 HSOBZYIJGKENIZ-LLVKDONJSA-N 411.436 -0.044 50 20 HBGD C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 792855099 OVDVMBCKUCVGGZ-GXTWGEPZSA-N 414.509 -0.283 50 20 HBGD COC(=O)C[C@H]1CCC(=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)[C@@H]1C 794525153 UDNJHRQDSOBUJP-GHMZBOCLSA-N 404.427 -0.485 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C1(c2cncc(Br)c2)CC1 799100718 NLKRDNHYCAWWFY-MRVPVSSYSA-N 405.274 -0.039 50 20 HBGD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)NCC(F)(F)F 918707219 HVRSZXSBHRXGHP-UHFFFAOYSA-N 413.378 -0.448 50 20 HBGD COc1ccccc1NCC(=O)NNC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 919744700 WGLYRRZMMSIGMW-UHFFFAOYSA-N 414.422 -0.543 50 20 HBGD NC(=O)c1ccc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cn1 1116304221 IHLDKAUFIRBBEA-UHFFFAOYSA-N 410.434 -0.601 50 20 HBGD O=C(NNC(=O)c1ccc(Cl)nc1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 1317908976 NEHOTVPLDXOLSD-SNVBAGLBSA-N 413.843 -0.339 50 20 HBGD CS(=O)(=O)N1CCN(CC(=O)NNC(=O)c2cncn2-c2ccccc2)CC1 1319622188 CURGZXDODNFWEG-UHFFFAOYSA-N 406.468 -0.790 50 20 HBGD Cc1n[nH]cc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779032323 JEYYMHWEQLFXNU-IBGZPJMESA-N 413.438 -0.526 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)CC3(O)CCC3)CCO2)C1 1779034225 PNCASPHUSVMQKL-HXUWFJFHSA-N 417.466 -0.566 50 20 HBGD C[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1783533239 SSNUGBVKOAUDPR-IAQYHMDHSA-N 402.293 -0.560 50 20 HBGD Cc1cc(C)n(CC(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)n1 1783933713 WBALXGLDNUPTCK-FQEVSTJZSA-N 420.514 -0.297 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)[C@H]3CC[C@H](O)CC3)C2)C1 1784133160 UOVSKOHOQIIDSD-XERREHJYSA-N 416.283 -0.639 50 20 HBGD O=C(O)c1cnncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1788885795 FWOSAIQKKPCGLL-HBEIAFGSSA-N 412.830 -0.632 50 20 HBGD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1)n1cccn1 1791293210 OEZABQDIBPGUNK-QAETUUGQSA-N 420.514 -0.203 50 20 HBGD CC[C@@H](NC(N)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1796760969 NJPVGJDCEKXPJX-NWJSVONSSA-N 417.470 -0.616 50 20 HBGD CN(CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(O)O)C2)NC(=O)NCc1ccccc1 1799865626 FHFWNCFNMHHVHL-MUJYYYPQSA-N 419.482 -0.719 50 20 HBGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)c1nc[nH]n1)CC2)c1ccc(B(O)O)cc1 1815341232 TVFUPJQBRSTJFT-LLVKDONJSA-N 412.240 -0.519 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)C2=NNC(=O)C2)CC1 1828863920 DQDRPIHRWPUEQF-MRXNPFEDSA-N 420.514 -0.145 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ncccn3)CCO2)C1 1833170611 NGBLEJRNSQHGHN-KDOFPFPSSA-N 412.874 -0.271 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccnn3)C2)C1 1837711840 SNHJKSAIPMAFBN-QGZVFWFLSA-N 411.535 -0.414 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)CNC(=N)N)CC2)CC1 1837845124 OAWCXRBKYTWWSQ-CQSZACIVSA-N 403.911 -0.278 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1839151620 YBWWTCLFOXWLHJ-AFAVFJNCSA-N 422.309 -0.042 50 20 HBGD CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1839880952 HILMTELGMQJVGA-HWWQOWPSSA-N 420.304 -0.249 50 20 HBGD Cc1nc(S(=O)(=O)NCC(=O)NNC(=O)COc2ccc(C#N)cc2)cn1C 726765361 KFLUZLUYPBGBNY-UHFFFAOYSA-N 406.424 -0.895 50 20 HBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O 730518999 SYERGRXRMSFJMJ-WCQYABFASA-N 423.447 -0.607 50 20 HBGD COCCCN(CC(=O)NNC(=O)Cc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 731845219 VTKIWFLRGFZHLL-CYBMUJFWSA-N 418.541 -0.333 50 20 HBGD Cn1cc(C(=O)NNC(=O)c2ccc(C(=O)NNC(=O)c3cnn(C)c3)cc2)cn1 735446356 RJLROFMRSQPCJU-UHFFFAOYSA-N 410.394 -0.697 50 20 HBGD CC(=O)N1CCCc2ccc(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc21 736062267 APEFHRADVAMDKK-SNVBAGLBSA-N 418.497 -0.767 50 20 HBGD COC(=O)Cn1cc(S(=O)(=O)NNC(=O)c2cnn(-c3ccccc3)c2)cn1 743258669 IYVRSHQVRAVSNY-UHFFFAOYSA-N 404.408 -0.135 50 20 HBGD C[C@@H]1CN(CCC(=O)NNC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)C[C@@H](C)O1 743290432 GIMLBUIJHMEYEJ-HXRSQMEESA-N 422.482 -0.814 50 20 HBGD Cc1cc(C)n(CC(=O)NNC(=O)NCCNS(=O)(=O)c2cccs2)n1 747437328 IDGOOCCGQJYHIE-UHFFFAOYSA-N 400.486 -0.130 50 20 HBGD Cn1ccnc(NNC(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCCO3)c2)c1=O 747942205 ZLNNEMTZCVJVSO-ZDUSSCGKSA-N 407.452 -0.006 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2cc(C)nn2C)cc1 763737069 NYSOHKOYASXNLB-UHFFFAOYSA-N 422.467 -0.556 50 20 HBGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)n1 770108502 AHUKDEPYGKKWGE-CYBMUJFWSA-N 420.513 -0.351 50 20 HBGD COCc1cc(C(=O)OC)cc(S(=O)(=O)NNC(=O)[C@@H]2CCc3nncn3C2)c1 793445602 AAUTWFUXONNHFF-GFCCVEGCSA-N 423.451 -0.217 50 20 HBGD O=C(O)c1cc(F)c(F)c(S(=O)(=O)NNC(=O)[C@H]2CCc3nncn3C2)c1 793447931 OHAXFXRCJGRNJS-ZETCQYMHSA-N 401.351 -0.173 50 20 HBGD O=C(NNS(=O)(=O)c1ccoc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 795275445 CHGKMPAKLINYOT-UHFFFAOYSA-N 415.449 -0.076 50 20 HBGD CCOC(=O)C1CCN(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)CC1 808087146 NMELPECRFLIDEB-UHFFFAOYSA-N 418.497 -0.381 50 20 HBGD CCOC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)CO[Si](C)(C)C)C2)C1 1779296797 FVEOSSJYIWFCIV-RHSMWYFYSA-N 417.535 -0.268 50 20 HBGD C=CC(=O)N[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2 1779527887 GWYHYAOZMVSUAQ-KYZVSKTDSA-N 401.891 -0.209 50 20 HBGD CCC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)COC1 1786983786 SFYLLHIMBFTMSK-SZMVWBNQSA-N 416.283 -0.614 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)c1cn2cccnc2n1 1788307134 BNJHZCCUNQQZGX-VIRABCJISA-N 407.858 -0.078 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)c1c(O)cc(O)cc1O 1790155560 ZAUFWIUMBXSNMR-YIVQXAGMSA-N 414.842 -0.004 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSc1ncccn1)C2)[C@H](O)CCl 1792977631 YEVJBKHHXUYTQU-GFQSEFKGSA-N 400.888 -0.242 50 20 HBGD CC(=O)NC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1793603777 VEQBVXHSCGLYAC-BTTYYORXSA-N 416.482 -0.148 50 20 HBGD CCCC(=O)N[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1798596240 FRCXCUBSVHJLFK-NKGKWGDASA-N 415.299 -0.077 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Br)[C@@H](O)N1CCOCC1 1800158533 PCIOOCHQWUHLAW-NKSTYXRASA-N 408.268 -0.034 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cccnc1)C2 1801013008 KAGVOXVFGXVYOF-CWPLJXCYSA-N 403.483 -0.413 50 20 HBGD C[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCC(=O)NN(C)C)N1CCN(C)CC1 1802337944 INNXJKYTQYEHHF-ZJPYXAASSA-N 422.574 -0.367 50 20 HBGD O=C(CNCP(=O)(O)O)N1CCCC2(CCN(C(=O)[C@H](O)CCl)CC2)C1 1809656579 HKNIEHATUAKGGX-GFCCVEGCSA-N 411.823 -0.458 50 20 HBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@H](O)N2CCOCC2)[nH]n1)[C@H](O)CCl 1814873257 OFDSNNJIAHJDAV-ZENOOKHLSA-N 415.878 -0.348 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCC([C@H]2CCCCN2C(=O)COCCO)CC1 1830369437 NNTVKKUKUVSHTC-LJQANCHMSA-N 418.299 -0.391 50 20 HBGD COc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cn1 1834524869 AVIXWUHKZOLAFV-CXAGYDPISA-N 414.846 -0.845 50 20 HBGD C[C@H](NC=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1839165082 XZVGXBVEBBNSGQ-WMLDXEAASA-N 401.536 -0.571 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CN(C)C3)C2)C1 1840036085 DQTFVZBMSZIOLB-BLLLJJGKSA-N 404.305 -0.212 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn(C)c3)C2)C1 1840151186 XJZWKRSTEUIPCA-RHSMWYFYSA-N 400.863 -0.256 50 20 HBGD O=C(NCC(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1)c1cccnc1 1843010549 AFJSGOFGKDTUMW-UHFFFAOYSA-N 422.250 -0.992 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CCCC12CN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2 1845170145 BIFWIPRVDCQQKW-AWEZNQCLSA-N 414.253 -0.134 50 20 HBGD C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)C(=O)NC3CC3)c2)C[C@@H](C)O1 9889679 DFKCOXYFKZMMHW-VXGBXAGGSA-N 424.479 -0.476 50 20 HBGD C=CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 10214400 PUSNPTDREUGDEZ-GFCCVEGCSA-N 401.466 -0.653 50 20 HBGD C[C@@H]([C@@H](C)NC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12)N1CCOCC1 729622865 CLFNZOXMZUYKMX-OLZOCXBDSA-N 402.455 -0.013 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@@H](C)CS(C)(=O)=O)cc1 746815788 FEWWNTUNJMFNRL-LBPRGKRZSA-N 405.498 -0.556 50 20 HBGD CC(C)CNS(=O)(=O)c1ccc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1 758034516 GPAAPECLINQGCY-LLVKDONJSA-N 420.513 -0.680 50 20 HBGD Cc1c(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cccc1-n1cnnn1 763572987 OZUKFFJUTVITSM-MRXNPFEDSA-N 423.389 -0.103 50 20 HBGD CCCCOc1cccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 764225949 CZQSMZIQNMHXNE-NSHDSACASA-N 400.457 -0.111 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)N1CC2(CCC2)c2c(F)cccc21 764227721 QTPSHQSSAWPYDV-SNVBAGLBSA-N 412.443 -0.321 50 20 HBGD CCOC(=O)c1c(F)cccc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764229785 CASFZQBHQWKKKN-MRVPVSSYSA-N 418.403 -0.974 50 20 HBGD C[C@H]1CN(c2ccc(NC(=O)C(=O)NNC(=O)[C@@H]3COCCO3)cc2F)C[C@@H](C)O1 764432501 ICWSDXMLOWLXCX-OZVIIMIRSA-N 424.429 -0.059 50 20 HBGD COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NNC(=O)N2CCOCC2)C1=O 771249190 DKNYUMOVPSHQPL-SFHVURJKSA-N 405.411 -0.465 50 20 HBGD CCS(=O)(=O)N1CCN(C(=O)NNC(=O)CNC(=O)c2ccco2)[C@H](C)C1 805043017 DGRYSNSKXDAZPK-LLVKDONJSA-N 401.445 -0.894 50 20 HBGD CN(C)C(=O)NNC(=O)[C@@H]1CC[C@H](C(=O)NNC(=O)N(C)C)N1Cc1ccccc1 813427375 GHJGESPHKCCIQB-GASCZTMLSA-N 419.486 -0.376 50 20 HBGD COCCOc1cccc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)c1 917544440 GGYUWZJNLRIXEA-UHFFFAOYSA-N 407.452 -0.253 50 20 HBGD Cc1c(/C=C(/C#N)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)cc(C#N)n1C 921164940 BBPWSPBZZWLRKY-YBEGLDIGSA-N 404.496 -0.194 50 20 HBGD O=C(NNC(=O)N1CCC(N2CCNC2=O)CC1)c1csc(N2CCOCC2)n1 1317929415 LATOCHCBMMAATE-UHFFFAOYSA-N 423.499 -0.176 50 20 HBGD Cn1cc(C(=O)NNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)c(=O)n(C)c1=O 1318568152 BJVYXRKNMKSNNE-UHFFFAOYSA-N 409.443 -0.508 50 20 HBGD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)on1 1786979459 LHCHNTIKAXBNQT-ZVZYQTTQSA-N 413.239 -0.430 50 20 HBGD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)c[nH]1 1786979741 DCAKXRCVXNGTKU-SNRMKQJTSA-N 411.267 -0.090 50 20 HBGD CC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)N3CCOCC3)C[C@@H]21 1789863519 TWTFKPWAAKGMGS-BWJWTDLKSA-N 403.907 -0.366 50 20 HBGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCOCC1 1795438606 JYKJYPDSJTUAHD-HGTKMLMNSA-N 418.332 -0.061 50 20 HBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@](C)(O)CC(=O)O)C2 1800980495 BEMDJIZFYSXZAB-OAVKVSGMSA-N 406.863 -0.554 50 20 HBGD CNC(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CBr)C2)C1 1831265923 KTYLMXIHMFVSQQ-WBMJQRKESA-N 420.304 -0.390 50 20 HBGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)[nH]3)C2)C1 1834823100 JEQZBIFCAQUBDB-OAHLLOKOSA-N 417.260 -0.030 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)COCCO)C2)C1 1837715137 YSEXKIFHTAGFGW-KRWDZBQOSA-N 404.536 -0.697 50 20 HBGD O=C(NNC(=O)N1CCN(c2cnccn2)CC1)c1csc(N2CCOCC2)n1 26147592 XNOOKJKDQSMNIU-UHFFFAOYSA-N 418.483 -0.054 50 20 HBGD CN(C)N(C(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1)[C@@H]1CCS(=O)(=O)C1 731963609 OZDRREVBSNOYFK-HZPDHXFCSA-N 416.544 -0.808 50 20 HBGD COc1ccc(C(=O)NNC(=O)Cn2ccc(=O)n(C)c2=O)cc1Br 732033447 HIXAQDUGMDJXMH-UHFFFAOYSA-N 411.212 -0.221 50 20 HBGD O=C(NNS(=O)(=O)c1cnn(-c2ccccc2F)c1)N[C@H]1CCS(=O)(=O)C1 742028494 OUQMIBXNJILDTO-JTQLQIEISA-N 417.444 -0.309 50 20 HBGD O=C(NNC(=O)N1CCOCC1)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 746184552 KLQVJGFTZQBQKY-HNNXBMFYSA-N 416.438 -0.391 50 20 HBGD CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)Cc2cc[nH]n2)cc1 758080868 ZMWAQZDQBKQJND-UHFFFAOYSA-N 408.440 -0.573 50 20 HBGD COC(=O)c1ccc(Cl)c(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 764227662 PPHKYAWMNMVNTA-SSDOTTSWSA-N 420.831 -0.850 50 20 HBGD CCOC(=O)NNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C 765408706 WWQNGHONMGGQEO-UHFFFAOYSA-N 401.445 -0.281 50 20 HBGD C[C@@H]1CN(CCC(=O)NNC(=O)[C@@H](C)S(=O)(=O)C2CCOCC2)C[C@@H](C)O1 767823424 UGOIDYKQKVKYQN-MGPQQGTHSA-N 405.517 -0.385 50 20 HBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CN(C)CC(=O)NC(C)C 771806885 ITDKHMYACPUXPD-UHFFFAOYSA-N 412.516 -0.494 50 20 HBGD CCCCS(=O)(=O)NCC(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772889028 NWIZRWCXZPJDID-UHFFFAOYSA-N 404.876 -0.177 50 20 HBGD C#CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)cc1 778438084 KNIXJVIYNBYSPH-UHFFFAOYSA-N 410.452 -0.116 50 20 HBGD O=C(CCCCN1C(=O)c2ccccc2C1=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 792591371 FGJRNASCPNXUKA-GFCCVEGCSA-N 422.463 -0.030 50 20 HBGD Cc1c(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)ccnc1Cl 810286038 LTGZHPHRNDSQBF-UHFFFAOYSA-N 420.817 -0.357 50 20 HBGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)nn1C1CCCCC1 810386804 SDFZWTJXVRYKQJ-NSHDSACASA-N 414.488 -0.280 50 20 HBGD CCOC(=O)c1cc(COC)cc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)c1 815570781 MEAYOPQBUMKKQI-AWEZNQCLSA-N 409.395 -0.489 50 20 HBGD Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 818072617 BHGLQYMBNLBUTQ-ZBQKXELDSA-N 408.415 -0.299 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3cscn3)CCO2)C1 1779031688 VQADTNPREDSDGN-SFHVURJKSA-N 416.463 -0.101 50 20 HBGD O=C([C@H](F)Br)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCO2 1781331149 DSERMEPQRCNUDZ-NJZAAPMLSA-N 424.267 -0.843 50 20 HBGD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)nc2nccn12 1799985657 JZRTZKQDCKRYQO-AYRXBEOTSA-N 407.858 -0.159 50 20 HBGD O=C(c1ccc(F)cn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830725584 QCZKSGCVLNDFMO-WMLDXEAASA-N 401.822 -0.110 50 20 HBGD O=C(O)C#CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1831670344 SRCRHADQVPCELE-SFHVURJKSA-N 412.251 -0.312 50 20 HBGD CS(=O)(=O)CC(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1836716906 XCPOMVARRMWZRY-AWEZNQCLSA-N 410.920 -0.371 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(O)[nH]3)CCO2)C1 1838071502 QNAQNQOAYTUZQX-ZBEGNZNMSA-N 402.835 -0.561 50 20 HBGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=N)N)C2)C1 1839963864 ZAMNPFUPAZCTKD-XHDPSFHLSA-N 420.308 -0.901 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCn3ccnn3)CCO2)C1 1840449247 IUXYIOCMFRSQMY-PBHICJAKSA-N 415.878 -0.622 50 20 HBGD CS(=O)(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1840551331 VXZKZEYTLYGVIW-AWEZNQCLSA-N 417.311 -0.319 50 20 HBGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)CN1C(=O)CN(C)C1=O 19112990 PEZXTLNXAIAFHT-UHFFFAOYSA-N 412.786 -0.453 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)CN1C(=O)Cn2c(cc3ccccc32)C1=O 725740043 BNBYGGGLEOESCP-UHFFFAOYSA-N 423.385 -0.206 50 20 HBGD O=C(NC[C@@H]1CN2CCC[C@H]2CO1)NNC(=O)C1CCN(c2ncccn2)CC1 729500116 GEESVJZHRVBVNS-JKSUJKDBSA-N 403.487 -0.113 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cnn(-c2ccccc2F)c1 742029610 OLOVZLUSAIDEMG-VIFPVBQESA-N 405.433 -0.741 50 20 HBGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N1CCCC1 748246030 DEOOYKKGPRSDAB-UHFFFAOYSA-N 410.452 -0.909 50 20 HBGD COCCO[C@H](C)C(=O)NNC(=O)NCc1ccccc1S(=O)(=O)N(C)C 748612942 GQKUQJIVVRAMAG-GFCCVEGCSA-N 402.473 -0.181 50 20 HBGD Cc1cc(C(=O)O)cc(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1Cl 753777037 BEVHAOLDSXGDCL-SSDOTTSWSA-N 413.861 -0.406 50 20 HBGD Cc1ccnc2nc(C(=O)OCC(=O)NNC(=O)[C@@H]3COc4ccccc4O3)nn12 756280445 XVLPLJVTXQNSED-ZDUSSCGKSA-N 412.362 -0.423 50 20 HBGD Cc1cc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc(S(=O)(=O)N(C)C)c1C 758044640 MGVIKTLDVZOTOS-NSHDSACASA-N 420.513 -0.748 50 20 HBGD COc1cc(OC)c2cc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)[nH]c2c1OC 758045594 DDQNEOYLFUJUSF-QMMMGPOBSA-N 414.440 -0.108 50 20 HBGD CCc1ccccc1OCC(=O)NNC(=O)NCCNS(=O)(=O)NC(C)C 759515419 MRNMRWRZDMSLBY-UHFFFAOYSA-N 401.489 -0.209 50 20 HBGD CCc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 763711704 AKQMUHWITKNHEJ-UHFFFAOYSA-N 416.438 -0.301 50 20 HBGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)C(=O)Nc1cccc2c1OCCO2 763917533 WDUUGLKAWFMLDL-UHFFFAOYSA-N 409.362 -0.167 50 20 HBGD C[C@@H](C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1)N1CCSCC1 774991033 ZBLKZKZKKGBRSQ-SWLSCSKDSA-N 409.464 -0.046 50 20 HBGD CC(C)CC(=O)NNC(=O)[C@H](C)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 779622177 HTUFODYKWYSBNP-GJZGRUSLSA-N 404.533 -0.305 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cc1 801107953 APDXLPRWBQCLGI-RRCSTGOVSA-N 414.418 -0.367 50 20 HBGD CCn1c(=O)nc(O)c2c(C(=O)NNC(=O)N3CCN(C)CC3)cc(C3CC3)nc21 807380678 ZXSOVBDSIQTMRI-UHFFFAOYSA-N 415.454 -0.004 50 20 HBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1nc(N)nc(N(C)C)n1 816828815 QAIVPZOPBFTAHO-UHFFFAOYSA-N 407.460 -0.804 50 20 HBGD O=C(CN1CCN(C(=O)CN2CCOCC2)CC1)NNC(=O)c1cccc(Cl)c1 822098272 FLPXCQMXGJTLMR-UHFFFAOYSA-N 423.901 -0.423 50 20 HBGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](N)CN)CCO2 1782866382 SEFUECWVGDECEU-AJELSMBFSA-N 419.432 -0.012 50 20 HBGD COC1(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)CCC1 1784864818 CISAEJBSYYCEDS-OAQYLSRUSA-N 416.283 -0.231 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)c1cnc(OCF)cn1 1785686961 RQCMNIQYLDCQQB-VTPLQMEGSA-N 416.837 -0.025 50 20 HBGD C[C@H](NC(=O)c1cnccn1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)CCl 1793111764 WEFOXGNSBMRRLX-DKBOKBLXSA-N 409.874 -0.167 50 20 HBGD CNC(=O)CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1815141761 RBNXMWONFZTXMN-OAHLLOKOSA-N 413.243 -0.469 50 20 HBGD COc1nn(C)cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830725457 OOQFBBOYYFDIQC-DYVFJYSZSA-N 416.862 -0.902 50 20 HBGD O=C(c1ccc(F)nc1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837840649 UEKDVJQOABLGFN-DYVFJYSZSA-N 401.822 -0.110 50 20 HBGD O=C(c1cc2cccnn2n1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1838421829 HIAOKQYECATFSK-MAUKXSAKSA-N 423.857 -0.601 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)c2c[nH]c(=O)cn2)C1 1844762527 HPZMBTRCXPMACT-FSJBWODESA-N 411.422 -0.279 50 20 HBGD CC[C@@H](Br)C(=O)N1CCCC12CN(C(=O)C[C@H]1NC(=O)NC1=O)C2 1846069306 TVOHNOWQBVFONJ-NXEZZACHSA-N 401.261 -0.039 50 20 HBGD COc1ccc(Br)c(C(=O)NNC(=O)NCCNS(C)(=O)=O)c1 728742531 HKOOMHUBVKBUQQ-UHFFFAOYSA-N 409.262 -0.049 50 20 HBGD COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)NNC(=O)C(=O)NC(C)C)c1 731059332 OARHJDBGGZROAX-UHFFFAOYSA-N 401.397 -0.906 50 20 HBGD C#CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)cc1 732259973 MLHQKOOINXQWEO-GASCZTMLSA-N 422.507 -0.142 50 20 HBGD NC(=O)CS(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)c2ccccc2)cc1 745584511 FHYFGEZGERGSOK-UHFFFAOYSA-N 419.415 -0.436 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(CCN2CCOCC2)cc1 756162718 AUGNPWVQMXTKQJ-ZDUSSCGKSA-N 413.500 -0.348 50 20 HBGD O=C(CCn1c(=O)nc(O)c2ccccc21)NNC(=O)CNC(=O)c1cccnc1 763818399 LJSGUMXOJMLCNE-UHFFFAOYSA-N 410.390 -0.535 50 20 HBGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1cc(F)c(F)cc1C(=O)OC 764398350 FZDFGMCCMPYWFC-MRVPVSSYSA-N 403.338 -0.111 50 20 HBGD CCCNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)cc1Cl 764426961 WXGJBUDCKQEJFN-ZDUSSCGKSA-N 412.830 -0.019 50 20 HBGD COC[C@H](CNC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1)OC 781395336 XRWYTIYOGYVXQP-ZDUSSCGKSA-N 402.473 -0.393 50 20 HBGD O=C(NNC(=O)[C@H]1CCc2nncn2C1)Nc1ccc(CN2C(=O)CNC2=O)cc1 813820561 HMUMDIOIPIPTJQ-LBPRGKRZSA-N 412.410 -0.255 50 20 HBGD CCN1C(=O)c2ccc(C(=O)N([C@@H]3CCS(=O)(=O)C3)N(C)C)cc2S1(=O)=O 1337564240 OSGXXUVGHLGXBL-GFCCVEGCSA-N 415.493 -0.043 50 20 HBGD C[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CN3C(=O)CNC3=O)CCO2)C1 1783530174 UJOWEMRVPUJQBC-MEBBXXQBSA-N 417.260 -0.849 50 20 HBGD C[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CN(C)C(=O)C(=O)O)CCO2)C1 1783535286 BGVFPGHCJRLYOH-BMIGLBTASA-N 420.260 -0.857 50 20 HBGD Cc1[nH]nc(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1F 1783936136 GXSREUNQUILPJX-SFHVURJKSA-N 410.450 -0.326 50 20 HBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Cl)[C@H]2C1 1787446570 REDGULBOUWXMDU-BTFPBAQTSA-N 422.837 -0.005 50 20 HBGD CN1CCC[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)C1 1791290662 IHESQBNYEMYCLU-OWSLCNJRSA-N 423.558 -0.319 50 20 HBGD CCC(=O)N[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796188064 ZIOCUPRBUCDDOR-SJWGOKEGSA-N 401.272 -0.467 50 20 HBGD CN(C)C(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1835435866 VTZQQLJRGBAEBX-IINYFYTJSA-N 410.240 -0.779 50 20 HBGD O=C(CCc1cncnc1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1836049346 QYDVMHPYQFJXAM-QAPCUYQASA-N 412.874 -0.535 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1 1839147922 HEVVLHLLBJXYNS-SJKOYZFVSA-N 419.862 -0.997 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1839155472 UXJRQYCNWDUAHY-DQYPLSBCSA-N 422.309 -0.185 50 20 HBGD Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)no1 1840366783 UGDJHFFVGFXMTJ-WMLDXEAASA-N 401.847 -0.418 50 20 HBGD O=C(CCc1cnccn1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840455158 CRMPKQAGDLWOPO-QAPCUYQASA-N 412.874 -0.535 50 20 HBGD CNc1nsnc1C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843009827 NATWQAPLWCTSFL-UHFFFAOYSA-N 401.257 -0.610 50 20 HBGD CC(=O)O[C@@H](C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2)C(C)C 1844162457 WJZFQNJNDCIAIP-QGZVFWFLSA-N 402.256 -0.229 50 20 HBGD CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847507345 IDHHPNDDMJFMGW-RVMXOQNASA-N 405.879 -0.327 50 20 HBGD Cn1nc(C(=O)NNC(=O)c2ccc(CS(N)(=O)=O)cc2)c2ccccc2c1=O 746346787 HUFPUJVDWFFHOW-UHFFFAOYSA-N 415.431 -0.203 50 20 HBGD CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1Cl 748642872 OERNORTVCLXHFZ-SSDOTTSWSA-N 412.877 -0.454 50 20 HBGD O=C(CCc1ccncn1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 755317930 HYSPUMFVPYZMDJ-UHFFFAOYSA-N 419.463 -0.109 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2ccc(-n3cccn3)cc2)n(C)c1=O 764813274 XYDUQZAFANWWBU-UHFFFAOYSA-N 406.406 -0.230 50 20 HBGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)Cn3ccc(O)nc3=O)CC2)cc1 765749698 QPVNQNWFKCRGQU-UHFFFAOYSA-N 414.466 -0.777 50 20 HBGD CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNC(=O)C(C)(C)O)cc2)CC1 768244807 NVVJJMLQCKEXKI-UHFFFAOYSA-N 412.468 -0.929 50 20 HBGD Cc1cccc(C(=O)NNC(=O)CN2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1 772747915 XMMGHCKOQYQDRI-UHFFFAOYSA-N 415.450 -0.951 50 20 HBGD COC(=O)c1cnc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cn1 780109451 KPXXVMRJBFDWHR-CQSZACIVSA-N 416.346 -0.593 50 20 HBGD O=C(CN1CCCC1=O)NNC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 789857682 JHOYVMHTRDHGCC-CQSZACIVSA-N 424.479 -0.473 50 20 HBGD O=C(CNS(=O)(=O)c1cccnc1)NNC(=O)C1CCN(c2ncccn2)CC1 810348781 UCPXCVOPCZSKPM-UHFFFAOYSA-N 419.467 -0.786 50 20 HBGD NC(=O)N1CCC(=NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 812375694 DTTYDNLXUWMOTK-UHFFFAOYSA-N 409.468 -0.032 50 20 HBGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1ccc(CC(=O)O)cc1 915958439 DZHYWOBLLAQZER-UHFFFAOYSA-N 405.436 -0.261 50 20 HBGD COc1cc(C)c(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1OC 919961089 RLUHTTHFPCTKOJ-SNVBAGLBSA-N 407.470 -0.308 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(Cl)ncn3)C2)C1 1779819651 LFSPXSBLHFQKFM-SFHVURJKSA-N 424.889 -0.054 50 20 HBGD CC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(=O)n4[nH]cnc4n3)CCO2)C1 1781213584 RBMDDUAEBCHJDY-GTNSWQLSSA-N 408.846 -0.122 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3cnncc3C(=O)O)CCO2)C1 1783878077 UZUPWPINRBCVSL-CXAGYDPISA-N 412.830 -0.128 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)C[C@](C)(O)CC(=O)O)CCO2)C1 1783879931 ZVYOSEWQFLWEMB-AFAVFJNCSA-N 406.863 -0.314 50 20 HBGD CC(C)(C)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1786832533 NXAPDDWSORYLOG-SZMVWBNQSA-N 417.315 -0.652 50 20 HBGD Cc1nccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)n1 1786979982 WLDFAQUBJAFOCR-IEZWGBDMSA-N 424.266 -0.628 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1Cc3ccccc3CN1)C2)[C@@H](O)CCl 1792978360 SCXRVXCMRHNGQT-MDMSPXHWSA-N 407.898 -0.110 50 20 HBGD Cn1c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)cccc1=O 1794928345 VFUUWBBHKINJGW-BJWYYQGGSA-N 409.251 -0.369 50 20 HBGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H](NC)C(=O)O 1795647504 PLEBMJCKGSLCSN-CYRBOEJBSA-N 420.304 -0.188 50 20 HBGD N=C(N)SCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796187094 MLDJKVOTQCUZQV-QDMKHBRRSA-N 404.301 -0.365 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1nc2ccccn2n1 1796189233 NNGPMPMLSGJELU-BJWYYQGGSA-N 419.250 -0.025 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nc2ccccn2n1)c1ccc(B(O)O)cc1 1796562158 CNAIZHOOQXJFRT-BJWYYQGGSA-N 419.250 -0.025 50 20 HBGD CN(C)C(=O)C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809968352 VKPVOSNELMLLJG-UHFFFAOYSA-N 401.272 -0.701 50 20 HBGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1831656283 CKSZZPCSDKEMHM-QWQRMKEZSA-N 401.891 -0.014 50 20 HBGD CC/C=C(\C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939897 NBWDGCMTGOBLPA-FFWACIGYSA-N 416.283 -0.207 50 20 HBGD CCOC(=O)O[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839681270 JFHCMVQAXBPUIK-PBFPGSCMSA-N 422.862 -0.396 50 20 HBGD CN1C(=O)CC[C@H]1C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1845238394 SNVOCZZJRLESHS-AWEZNQCLSA-N 400.439 -0.877 50 20 HBGD CN(C)CC(=O)NNC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 727761661 YQUUYOFHFKHCPN-UHFFFAOYSA-N 410.500 -0.535 50 20 HBGD Cc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1C 729276583 HOLRTOJRJNIWID-GFCCVEGCSA-N 420.513 -0.943 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3c[nH]nc3C)CC2)cc1 731879006 BNUJUHCGYYRIGD-UHFFFAOYSA-N 420.495 -0.206 50 20 HBGD CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1 740903740 UDVCFXADKFBSKT-GXTWGEPZSA-N 407.456 -0.038 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@H]2CN3CCCN2CC3)cc1 763463596 QKAJBTUJVTZXOB-MRXNPFEDSA-N 409.512 -0.847 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)N1C[C@@H]2CCCN2c2ccccc21 764226134 GDOKQJBJKDIGBK-RYUDHWBXSA-N 409.468 -0.913 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccnc1-c1ccccc1 764228033 TZOCPGXSSMXCCX-NSHDSACASA-N 405.436 -0.228 50 20 HBGD N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)NNC(=O)c2ccccc2)c1 769729300 UBTJLUOAEGZAIF-UHFFFAOYSA-N 416.415 -0.159 50 20 HBGD COC(=O)[C@H]1CCN(CC(=O)NNC(=O)c2cccc(C#N)c2)[C@@H](C(=O)OC)C1 780351825 SVIXRIHHBOUBNW-LSDHHAIUSA-N 402.407 -0.254 50 20 HBGD O=C(COc1ccc(N2CCCC2=O)cc1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919889554 OCXOTHXXLGSNJL-LBPRGKRZSA-N 410.452 -0.290 50 20 HBGD CS(=O)(=O)N1CCC[C@H](NC(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])C1 920240175 KVVRQTLIQSNVNF-NSHDSACASA-N 415.428 -0.272 50 20 HBGD O=C(NN=Cc1c(N2CCOCC2)nc2ccccn2c1=O)[C@H]1CCS(=O)(=O)C1 1321515347 AREAFVFYDZALQY-ZDUSSCGKSA-N 419.463 -0.584 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)C[C@](C)(O)CC(=O)O)C2)C1 1783932305 XEKRIUIODVTMIH-ZLIFDBKOSA-N 406.863 -0.314 50 20 HBGD CC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CNC3=O)[C@H]2C1 1784952309 JHJZUHSCNXWAMB-CYDGBPFRSA-N 400.863 -0.465 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccccn3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979568 ZMVLCQHHXYEITF-IEZWGBDMSA-N 409.251 -0.332 50 20 HBGD CN[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]2C1)C(=O)O 1789923033 WLUPVBLMBQWPKF-XPORZQOISA-N 424.267 -0.281 50 20 HBGD CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795732773 HWPCQOWMSUOBQI-YALNPMBYSA-N 406.313 -0.476 50 20 HBGD Cn1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnccc2C(=O)NN)c1=O 1798439678 WEUHLYAKVLGCJB-BTTYYORXSA-N 424.461 -0.051 50 20 HBGD O=C(Cn1ccncc1=O)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@H]1c1cccnc1 1812340222 YAACDMYIKCJVNJ-DAYGRLMNSA-N 419.869 -0.056 50 20 HBGD COC[C@H](Cl)C(=O)N[C@@H]1CCc2nc(NC(=O)CC[C@@H](N)C(N)=O)sc2C1 1815068037 LLGBPODLCZUMKC-KXUCPTDWSA-N 417.919 -0.098 50 20 HBGD CCn1nc(C)cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830724244 WWUQIWGFQNDABA-QAPCUYQASA-N 414.890 -0.119 50 20 HBGD O=C(c1[nH]nc2ncccc12)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830728906 YWBFSQUGHFFHAI-SCLBCKFNSA-N 423.857 -0.372 50 20 HBGD O=C(c1[nH]nc2ncccc12)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1836451351 UMSIXUBHOSXOSF-ACJLOTCBSA-N 423.857 -0.372 50 20 HBGD CC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](F)Br)CCO2)C1 1839202538 JDNLGGOCPVQYFU-GMXABZIVSA-N 424.267 -0.342 50 20 HBGD CC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1839860442 VUWMBKWYGLCOGV-HZPDHXFCSA-N 410.298 -0.185 50 20 HBGD O=C1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)CCBr)C3)C2)CN1 1839868516 RABJYBUPIQRKIT-MLGOLLRUSA-N 418.288 -0.636 50 20 HBGD COC[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840182328 HGUYPTDHFWBBDS-BEFAXECRSA-N 414.503 -0.902 50 20 HBGD Cn1cccc1C(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840481168 GOJNVEFOXLAGJZ-KBXCAEBGSA-N 413.858 -0.736 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CCO2 1840609711 QXGLITSLMQSDEB-FQRJBHLQSA-N 402.875 -0.411 50 20 HBGD COC(=O)C12CC(C(=O)N3CCCC34CN(C(=O)CCC(=O)NN(C)C)C4)(C1)C2 1846115335 OUUWAOLUNNGTPS-UHFFFAOYSA-N 406.483 -0.094 50 20 HBGD NS(=O)(=O)c1ccccc1S(=O)(=O)NNC(=O)c1ccc2c(c1)OCCO2 740704552 AIEITHVEGGBBQL-UHFFFAOYSA-N 413.433 -0.272 50 20 HBGD CC(C)c1cc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)no1 756791816 XITAZVCDQZFQCW-UHFFFAOYSA-N 404.387 -0.602 50 20 HBGD O=C(COC(=O)C[C@H]1C=CS(=O)(=O)C1)NNC(=O)[C@H]1COc2ccccc2O1 756832560 VRNFPOHMJNQJNU-BXUZGUMPSA-N 410.404 -0.535 50 20 HBGD CC(=O)N[C@@H](CC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1c(F)cccc1F 758031340 WAVGRUFRDSWKKI-PELKAZGASA-N 406.411 -0.383 50 20 HBGD O=C(CNC(=O)c1cccnc1)NNC(=O)CNC(=O)c1c[nH]c2ccccc2c1=O 764344252 WFABBPIIXHMISU-UHFFFAOYSA-N 422.401 -0.770 50 20 HBGD NC(=O)c1cc(C(=O)NNC(=O)CNC(=O)c2cccnc2)nn1-c1ccccc1 764345708 UNLCPSAWIDPLHN-UHFFFAOYSA-N 407.390 -0.443 50 20 HBGD CCN(CC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1 766638306 ZRBMTQPMROXGSR-UHFFFAOYSA-N 413.438 -0.892 50 20 HBGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NC[C@H]2CCCS2(=O)=O)nc1 767172919 LTBALUWQVZPZPH-LLVKDONJSA-N 405.502 -0.028 50 20 HBGD O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)NNC(=O)C(=O)NCC(F)F 768070879 IRTFNUJBRXHKOG-UHFFFAOYSA-N 417.844 -0.014 50 20 HBGD CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 795528749 YKGPRGSXGCRKEV-NEPJUHHUSA-N 420.488 -0.470 50 20 HBGD O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)Nc1ccc2c(c1)OCO2 802098039 GTXSDRNJODPCPH-FIXIBIHLSA-N 402.363 -0.270 50 20 HBGD COCCN1C[C@@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1=O 914459022 XFQCODYKGGSUFK-ZDUSSCGKSA-N 412.468 -0.807 50 20 HBGD CCN=c1nc(NCC)n2c(SCC(=O)NNC(=O)CC(F)(F)F)n[nH]c2n1 918367020 JBXODPZSKGWRCO-UHFFFAOYSA-N 421.409 -0.003 50 20 HBGD CCOc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)CN2CCCC2=O)cc1 920827791 YAUZLGMRLXYJGK-UHFFFAOYSA-N 412.468 -0.477 50 20 HBGD CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NN=c1cc[nH]cc1 1254375465 RSWXNOYPRRFRFW-HNNXBMFYSA-N 412.493 -0.272 50 20 HBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](F)Cl)C2)[C@@H](O)N1CCOCC1 1779413583 QRGQIFXSUKCJAT-DLTLXFJOSA-N 407.870 -0.315 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2C[C@H](O)CN2)C1 1780602926 HGFPUPKNFUGHJZ-YUYGLALOSA-N 403.907 -0.523 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CC[C@@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1 1781234286 STECYUIYMXENNB-DLBZAZTESA-N 418.277 -0.022 50 20 HBGD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)on1 1786984678 XSSIJHXJTGXLNG-ZVZYQTTQSA-N 413.239 -0.430 50 20 HBGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)CCC(N)=O)C2 1792867570 GEGFBGRQTQWIPI-HNRZYHPDSA-N 419.320 -0.800 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCC=CO1)C2)c1ccc(B(O)O)cc1 1795734347 MTZNBLIPRPPQBF-CYGHRXIMSA-N 400.240 -0.738 50 20 HBGD O=C(CCc1cccnc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1795873923 ODFWNXLGHFOJQH-RMFSNUHRSA-N 423.278 -0.403 50 20 HBGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)N1CCOCC1 1797808065 FNGCAWHDMAWNFB-VBTGVMJWSA-N 420.304 -0.990 50 20 HBGD CCNC(=S)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CO[Si](C)(C)C)C2 1800185532 HGFMLJUAJMRJIH-YWVIFJGQSA-N 416.620 -0.089 50 20 HBGD O=C(NC[C@H]1CCN(C(=O)c2nc[nH]n2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362847 KDCHCRGUORETSA-WBVHZDCISA-N 420.238 -0.487 50 20 HBGD CCn1nccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830724092 CVKJFNIGCUOQNE-RHSMWYFYSA-N 400.863 -0.427 50 20 HBGD CCS(=O)(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1831345111 FXTKETOEASDHNR-AWEZNQCLSA-N 417.311 -0.319 50 20 HBGD O=C(c1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835931647 VTBLVWAZVOEURI-JOCHJYFZSA-N 424.262 -0.250 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(C)=O)CCO2)C1 1839886127 JYVUETMQIPSUQW-PBHICJAKSA-N 405.879 -0.777 50 20 HBGD C[C@H]1C[C@@H](NC(=O)NNC(=O)CNC(=O)c2ccco2)C(=O)N1c1cnn(C)c1 743578603 XPCAETUDCBTMHM-CMPLNLGQSA-N 403.399 -0.733 50 20 HBGD Cc1noc(C)c1S(=O)(=O)NCC(=O)OCC(=O)NNC(=O)c1cccs1 750013749 CLIVQVHUMCINSO-UHFFFAOYSA-N 416.437 -0.364 50 20 HBGD COc1ccc(C(=O)NNC(=O)CN(C)C[C@@H](O)CN2CCOCC2)cc1OC 751484905 IOCNIPPAXLYXDP-OAHLLOKOSA-N 410.471 -0.910 50 20 HBGD CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)NNC(=O)CNC(=O)c2cccs2)C1=O 752011055 XOVPXDSRBIWYKL-BMLIUANNSA-N 422.467 -0.471 50 20 HBGD Cc1c(/C=C(/C#N)C(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)cc(C#N)n1C 753677313 KPGMMUMQAXYCOY-AUWJEWJLSA-N 414.451 -0.237 50 20 HBGD O=C1CN(c2ccc(NC(=O)C(=O)NNC(=O)[C@@H]3Cc4ccccc4O3)cn2)CCN1 764151956 AZNWKJGXMSVHCK-HNNXBMFYSA-N 424.417 -0.893 50 20 HBGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)C1CCN(S(C)(=O)=O)CC1 767267104 YRXKPMOWIDDVHD-UHFFFAOYSA-N 411.480 -0.100 50 20 HBGD COC[C@@H](C)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 770324564 MUZUQYRZXAQZHX-GFCCVEGCSA-N 400.457 -0.314 50 20 HBGD CC(=O)NNC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccccc1C(F)(F)F 785956695 VETPYUIXPXVXMO-JTQLQIEISA-N 410.374 -0.215 50 20 HBGD CNS(=O)(=O)c1ccccc1S(=O)(=O)NNC(=O)CNC(=O)OC(C)(C)C 799538537 HIXXKJVIDVTUAN-UHFFFAOYSA-N 422.485 -0.571 50 20 HBGD CCOc1ccccc1OCC(=O)NNC(=O)NC1CC(NS(C)(=O)=O)C1 802420572 BAQDODBONNSRKO-UHFFFAOYSA-N 400.457 -0.125 50 20 HBGD Cc1ccc(S(=O)(=O)NCC(=O)NNC(=O)CNC(=O)OC(C)(C)C)cc1 810942827 ZPBHLPRSPSNDRD-UHFFFAOYSA-N 400.457 -0.055 50 20 HBGD C#CCOc1ccc(F)cc1NC(=O)C(=O)NNC(=O)[C@H]1CCc2nncn2C1 815691854 CWIKTCKYKNDGTE-NSHDSACASA-N 400.370 -0.222 50 20 HBGD NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)NNC(=O)NC1CCCCC1 914602352 BPYXDJUWCYQEBX-UHFFFAOYSA-N 411.440 -0.095 50 20 HBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CCCN1C(=O)CNC1=O 920260070 XGNAHGDVKCNGPE-UHFFFAOYSA-N 410.456 -0.619 50 20 HBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NC[C@H]1CN(C)CCN1C 1116040544 RNXFYSZIAPNCRW-ZDUSSCGKSA-N 411.532 -0.522 50 20 HBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CN(C(=O)CN)CCO2)C1 1780096901 LNTAWJFRTUNMJA-GOSISDBHSA-N 406.395 -0.078 50 20 HBGD CCC(=O)C(=O)N1CC[C@@]2(C1)CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)CCO2 1783088794 PUZNXXVUIFRSLT-DBRLUCFCSA-N 403.439 -0.071 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3ccnc3)[C@H]2C1 1786161490 IPKXRLMILJPAEF-JYJNAYRXSA-N 406.487 -0.764 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCOC3)C[C@@H]21)c1cccc(B(O)O)c1 1786986715 AXVDCUDJNBPQJX-NBMJBFSESA-N 416.283 -0.614 50 20 HBGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CS(C)(=O)=O)C[C@@H]21 1791057328 BBOCEKFEAYPJKI-BJDJZHNGSA-N 411.318 -0.206 50 20 HBGD Cc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)n1 1794682667 VZLNFIJYKRLMMV-ZSBFGKGUSA-N 424.461 -0.094 50 20 HBGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)NC1)C2 1800754184 HZALQEWSWSDMQU-XJGUIPMBSA-N 402.289 -0.114 50 20 HBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Cl)C2 1801285892 VTGRCNZTAQMFGU-BJBXXJATSA-N 415.853 -0.419 50 20 HBGD CN(C)C(=O)NCC(=O)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@H]1c1cccnc1 1802676884 YTYMNOWRJUHBQZ-LZWOXQAQSA-N 411.890 -0.042 50 20 HBGD O=C(CN(CCO)CCO)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](O)CCl)[nH]n1 1822022424 FAYPDFGZWVWMRH-KGLIPLIRSA-N 417.894 -0.712 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc[nH]1)CCO2 1837784336 FUWWJXROULUGQB-FQEVSTJZSA-N 413.239 -0.922 50 20 HBGD C[C@@H]1C[C@]1(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840184854 CQZSDIAUQAETDB-UIAACRFSSA-N 410.515 -0.138 50 20 HBGD O=C([C@@H](F)Br)N1CC2(CCCN2C(=O)c2cc(=O)n3[nH]cnc3n2)C1 1843009414 SKLHZRRQRLVLHQ-SNVBAGLBSA-N 413.207 -0.075 50 20 HBGD CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCCC12CN(C(=O)[C@H](O)CCl)C2 1843324745 XZJZSITZPHVOPJ-NWDGAFQWSA-N 405.879 -0.325 50 20 HBGD COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)NNC(=O)C2CC2)c1OC 29509497 JUQMEPJXEBTSGG-UHFFFAOYSA-N 413.452 -0.104 50 20 HBGD CN(C1CCN(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CC1)S(C)(=O)=O 725860702 VZXRDMGKIKODMG-UHFFFAOYSA-N 422.471 -0.628 50 20 HBGD C[C@H](CN1CCOCC1)C(=O)NNC(=S)NCc1ccc(S(N)(=O)=O)cc1 726439880 AGYNGLZBXNQSIV-GFCCVEGCSA-N 415.541 -0.702 50 20 HBGD O=C(COCc1ccccc1)NNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 737636221 DVRNFTZWXMENNH-AWEZNQCLSA-N 422.463 -0.484 50 20 HBGD NS(=O)(=O)c1cccc(N2C[C@H](C(=O)NNC(=O)c3ccncc3)CC2=O)c1 746090704 MUOYIAPOAPRVRS-GFCCVEGCSA-N 403.420 -0.457 50 20 HBGD NC(=O)[C@H]1CCCN(CCCNC(=O)NNC(=O)Cc2cn3ccccc3n2)C1 746770809 USQAOCWXPIMYSE-AWEZNQCLSA-N 401.471 -0.205 50 20 HBGD C[C@@]1(c2ccc(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)cc2)NC(=O)NC1=O 748517297 SKYCFHFDFBNXOG-IBGZPJMESA-N 420.389 -0.208 50 20 HBGD COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNc3ccc(C(N)=O)nn3)C2=O)cc1 757408675 XDXQEDIJRKZYTO-GOSISDBHSA-N 413.394 -0.506 50 20 HBGD COc1ncnc(N(C)C)c1NC(=O)C(=O)NNC(=O)CCc1ccccc1O 764277328 BTWPASHPJUOTOD-UHFFFAOYSA-N 402.411 -0.025 50 20 HBGD CN(CC1CC1)S(=O)(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765119493 XLWIRNGFTDIGFB-UHFFFAOYSA-N 409.512 -0.348 50 20 HBGD CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1C 766641494 YWJBHWIJLQCARR-UHFFFAOYSA-N 415.410 -0.958 50 20 HBGD O=C(CCCNC(=O)C1CC1)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766642454 IJQNPGAJTQKRTD-UHFFFAOYSA-N 415.494 -0.102 50 20 HBGD CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 767685437 VKZRTIAIYCFLMC-QWRGUYRKSA-N 408.477 -0.566 50 20 HBGD Cc1cccc(=O)n1C[C@@](C)(O)C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1 795769193 UNZVRGGYARZSQX-HXUWFJFHSA-N 412.402 -0.216 50 20 HBGD Cn1nc(SCC(=O)NN=C2CC(NC(=O)OC(C)(C)C)C2)c(=O)n(C)c1=O 814785554 WPDULWBIGNANOJ-UHFFFAOYSA-N 412.472 -0.270 50 20 HBGD CC(=O)NNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c1ccccc1 1347769966 SJKVQGKQVDQXSR-KOTGUFOOSA-N 403.482 -0.453 50 20 HBGD CC(=O)NCC(=O)N1CC[C@]2(C1)CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)CCO2 1783142210 HPKUUPIVPKIPAU-MEGCXXLRSA-N 418.454 -0.914 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(N)=O)C2)C1 1783151396 KTPCYCIVZHUHEI-PPRFWAEMSA-N 418.454 -0.784 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(O)cn1)CCO2 1783936870 WFLFMLKASZDCBG-LJQANCHMSA-N 405.455 -0.396 50 20 HBGD CCOC(=O)N[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](Cl)COC)[C@H]2C1 1791255061 CMMKAMBKISLSPL-CXOVXGEYSA-N 421.878 -0.716 50 20 HBGD CCn1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)n1 1795732446 GSOYVNRUABBNHZ-JLVBRIDZSA-N 412.255 -0.900 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCCCC1)C2 1801012898 BVBFBTGLHQBNIO-CWPLJXCYSA-N 409.531 -0.565 50 20 HBGD C[C@H](NC=O)C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1808388338 JETQLZFKXMJZQB-GMBSWORKSA-N 418.498 -0.405 50 20 HBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](O)N2CCOCC2)[nH]n1)[C@H](O)CCl 1814873253 OFDSNNJIAHJDAV-WOSRLPQWSA-N 415.878 -0.348 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccn(C)n3)CCO2)C1 1834250077 VHZARKCVALXEKB-DYVFJYSZSA-N 400.863 -0.256 50 20 HBGD Cc1nc(C)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)o1 1837999727 QDZGLNMZLGZYBE-CXAGYDPISA-N 401.847 -0.039 50 20 HBGD Cc1nc(C)c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)o1 1837999728 QDZGLNMZLGZYBE-DYVFJYSZSA-N 401.847 -0.039 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839143627 BYZYEERGILKCNQ-LPHOPBHVSA-N 424.690 -0.546 50 20 HBGD CC[C@H](Br)C(=O)N1CCCC12CN(C(=O)CN(C)C(=O)C(=O)O)C2 1846072136 JMFWEOATBWTLME-JTQLQIEISA-N 404.261 -0.094 50 20 HBGD O=C(CNC1=NS(=O)(=O)c2ccccc21)NNC(=O)[C@H]1COc2ccccc2O1 26973069 KDJGROITHSMILS-CQSZACIVSA-N 416.415 -0.288 50 20 HBGD Cc1c(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cnc2c1c(=O)n(C)c(=O)n2C 747683356 QSJCVMNIAWQULX-UHFFFAOYSA-N 412.362 -0.076 50 20 HBGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)c(C)o1 751298379 ZAXRYWDXCMUOCB-UHFFFAOYSA-N 419.419 -0.182 50 20 HBGD C[C@@H](NC(=S)NNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)C1CC1 751621343 TXEPHJJIFSOFSS-KOLCDFICSA-N 401.514 -0.554 50 20 HBGD COCCN(C)S(=O)(=O)[C@H]1CCCN(CC(=O)NNC(=O)c2ccccc2)C1 753784124 FATMOJVQBIKCQV-INIZCTEOSA-N 412.512 -0.180 50 20 HBGD C[C@H]1CN(C(=O)Cn2cc(NC(=O)NNC(=O)c3cnn(C)c3)cn2)C[C@@H](C)O1 756839036 PQQWGJHRQKNQPD-TXEJJXNPSA-N 404.431 -0.281 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 758036750 UZBAEHXFEAUCPW-SMDDNHRTSA-N 408.480 -0.387 50 20 HBGD CCN(CC(=O)NNC(=O)c1cccc(C)c1)CC(=O)N[C@@H]1CCS(=O)(=O)C1 764156290 BIZGLLARJUELBM-OAHLLOKOSA-N 410.496 -0.619 50 20 HBGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 764400297 PBSAPQXOCIBASU-MELADBBJSA-N 423.470 -0.167 50 20 HBGD CSCCNC(=S)NNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 770246293 JMDXEAJRPYDYKQ-SECBINFHSA-N 419.554 -0.689 50 20 HBGD COCCO[C@H](C)C(=O)NNC(=O)NCCNS(=O)(=O)c1ccc(C)s1 772629736 GUVPHVLGOIHOCT-LLVKDONJSA-N 408.502 -0.283 50 20 HBGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1ccc2nc(O)oc2c1 794886771 NYUSEWDTGXKGCG-UHFFFAOYSA-N 404.408 -0.042 50 20 HBGD COC(=O)c1ccc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)nn1 799233137 CARWBNXKEPBDPB-UHFFFAOYSA-N 422.423 -0.020 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cncn3C)CC2)cc1 809724638 SLIUTMJKFLEBES-UHFFFAOYSA-N 420.495 -0.504 50 20 HBGD CC(=O)c1cc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cs1 815827149 NXMMZCTYHIZBTO-UHFFFAOYSA-N 404.408 -0.841 50 20 HBGD CCCOc1ccc(C(=O)NNC(=O)CN(C)S(=O)(=O)N(C)C)cc1OC 816827703 BQBAIVDMZQJFAU-UHFFFAOYSA-N 402.473 -0.017 50 20 HBGD N#Cc1c[nH]c(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)c1 1780335505 WQCGBWLKMOLHKJ-FQEVSTJZSA-N 423.433 -0.358 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(O)cn3)C2)C1 1784645065 ZBAZUQNVMRWZIU-HXUWFJFHSA-N 419.482 -0.467 50 20 HBGD Cc1cn(CC(=O)N2CC[C@]3(C2)CN(C(=O)C(Cl)Cl)CCO3)c(=O)nc1O 1785354863 UURBPOLZPKJZKL-INIZCTEOSA-N 419.265 -0.109 50 20 HBGD CCNC(=S)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](Cl)COC)[C@H]2C1 1791256492 ABNNWBVTUHCJGT-FQUUOJAGSA-N 420.963 -0.296 50 20 HBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)CCl 1793117721 BCHLIDDXHIJZQL-DPZJBDQQSA-N 411.890 -0.305 50 20 HBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCS1(=O)=O)C2 1800979589 QCUMUGKNVWDGGP-VJTDZRGJSA-N 408.904 -0.593 50 20 HBGD CN(CC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](O)CCl)[nH]n1)C(=O)C(=O)O 1821712753 GRXQMSNDJKREOU-GHMZBOCLSA-N 415.834 -0.456 50 20 HBGD CN(C)C(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)CCl)CCO2 1830354280 VXWGYDHZDKCKNR-SFHVURJKSA-N 418.922 -0.021 50 20 HBGD Cc1cccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)n1 1830720416 ZKSRLAHJJZPOAD-VQIMIIECSA-N 411.886 -0.011 50 20 HBGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(O)[nH]3)CCO2)C1 1838071723 VDKGEUBRFCNMRK-BMIGLBTASA-N 417.260 -0.031 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2cnc(N)s2)C1 1842980646 VZGUGUXFIJICDL-UHFFFAOYSA-N 401.452 -0.145 50 20 HBGD O=C(CN1C(=O)NC2(CCCC2)C1=O)NNC(=O)C1CCN(c2ncccn2)CC1 728848548 UZLODVMJJBGNAT-UHFFFAOYSA-N 415.454 -0.295 50 20 HBGD CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2c[nH]nc2C)cc1 731851873 VNARXGHLFIUBPY-UHFFFAOYSA-N 408.440 -0.242 50 20 HBGD NC(=O)CS(=O)(=O)c1ccc(C(=O)NNC(=O)C2=S=C3CCCC3=C2)cc1 742473893 JDFRAHLQRBNURV-UHFFFAOYSA-N 407.473 -0.092 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CO[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 758048235 QZGPHRSOPGBGHI-NWDGAFQWSA-N 422.504 -0.512 50 20 HBGD CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)NNc1ccc(C(N)=O)nn1 758323821 IJRAJZGLUQVWJA-LLVKDONJSA-N 407.431 -0.466 50 20 HBGD NS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccc3nnc(O)n3c2)ccc1Cl 762939556 TWWCXESGTLWLIC-UHFFFAOYSA-N 410.799 -0.190 50 20 HBGD O=C(CNC(=O)c1cccnc1)NNC(=O)Cn1cc(Br)ccc1=O 763818310 GTGMXIFYAPDICK-UHFFFAOYSA-N 408.212 -0.417 50 20 HBGD CCOC(=O)c1c(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)sc2c1CCC2 764433995 PIMLMAJGHWHHEZ-SNVBAGLBSA-N 411.436 -0.085 50 20 HBGD Cc1cn2c(C=NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)c(C)nc2s1 764815278 CLDBRDIYZXPYKS-UHFFFAOYSA-N 414.451 -0.090 50 20 HBGD Cc1ccc(C(=O)NNC(=O)CN2CCC(N3CCS(=O)(=O)CC3)CC2)cc1 766865313 DLVVNFWMFMWHEX-UHFFFAOYSA-N 408.524 -0.049 50 20 HBGD N#Cc1ccc(C(=O)NNC(=O)CN2CCC(O)(CN3CCOCC3)CC2)cc1 779603492 DGDMKFVWVXHYIH-UHFFFAOYSA-N 401.467 -0.522 50 20 HBGD CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)NNC(=O)NCC(=O)OC 779844358 HEVAJFBARFLMFG-UHFFFAOYSA-N 424.457 -0.878 50 20 HBGD CC[C@@H]1CCc2nc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)sc2C1 789735490 QFNKKUFDUNZABF-DTWKUNHWSA-N 417.513 -0.318 50 20 HBGD C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NNC(=O)COCc1ccccc1 793539354 MZSSTBOLDAMPHI-LJQANCHMSA-N 418.450 -0.034 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CNS(=O)(=O)c2cn(C)c(C)n2)cc1 801106958 JNKNBVVDOJBWOR-UHFFFAOYSA-N 408.440 -0.899 50 20 HBGD CSCCNC(=S)NNC(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 802985909 QDRNRKQOGGUCRD-UHFFFAOYSA-N 402.527 -0.301 50 20 HBGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)Nc1ccccc1CN1C(=O)CNC1=O 813820869 LFLIDLLGWNPXRJ-GFCCVEGCSA-N 412.410 -0.255 50 20 HBGD COCCn1cc(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)ccc1=O 1115989513 ZPGWZADPEPFCBR-UHFFFAOYSA-N 400.439 -0.038 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3ccncc3=O)C2)C1 1782664981 VRNLJKLFOIDIFU-BLLLJJGKSA-N 413.272 -0.143 50 20 HBGD CN1CCC[C@H](C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)C1 1783934441 HXCMKJJYDGWZEO-JXFKEZNVSA-N 409.531 -0.469 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(OCF)cn3)C[C@@H]21)[C@@H](O)CCl 1784086551 MXMKSSCENAWUHG-IMIFBBOLSA-N 416.837 -0.025 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)n3cnnn3)C2)C1 1784604380 WRASWEGVAUDANR-MJVIPROJSA-N 401.265 -0.153 50 20 HBGD C/C(=C/C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2)C(=O)O 1785413812 OGKGZCNPWWKJFC-KEEQEYLASA-N 417.422 -0.841 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C34CC(F)(C3)C4)C[C@@H]21)c1ccc(B(O)O)cc1 1786980092 ILKCMCAQJWMKAK-ZZMFMQDLSA-N 416.258 -0.148 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C[C@@H]21)[C@H](F)Cl 1787445369 CXRBLYYVESFLCX-PZEZNAACSA-N 412.809 -0.455 50 20 HBGD CC[C@H](NC(N)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796191022 PEPMCVNPLOJGPE-FZKCQIBNSA-N 402.260 -0.935 50 20 HBGD Cc1ncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)s1 1796732686 NNFAPCHZKIJLJQ-XOIINTDNSA-N 415.280 -0.352 50 20 HBGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)Nc1cccnc1)C2 1800977351 YBNQDQXOVGRIRB-AYRXBEOTSA-N 410.858 -0.137 50 20 HBGD Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)no1 1801278921 YVJHCKOOMHHTIQ-CCWDJLKJSA-N 413.239 -0.891 50 20 HBGD O=C1CN(CC(=O)N2CCCC3(CCN(C(=O)[C@H](O)CCl)CC3)C2)C(=O)N1 1806688438 XRUOICRUBMDZNP-GFCCVEGCSA-N 400.863 -0.631 50 20 HBGD C[C@H](CN)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnccc1C(=O)NN)CC2 1814750604 IFYPMELZZMWEMV-ZJUUUORDSA-N 417.495 -0.038 50 20 HBGD CC(=O)NCC(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834824760 LRWWAHDXGLAELD-HNNXBMFYSA-N 406.277 -0.636 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(N)=O)C2)C1 1839155143 KKIRSDRPPCNKTQ-HZPDHXFCSA-N 410.298 -0.055 50 20 HBGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)COCCO)CCO2)C1 1839195414 RCGBXBHGUBMOJF-WFASDCNBSA-N 409.277 -0.765 50 20 HBGD C[C@](O)(C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2)C(F)(F)F 1841801350 POAJOTBEQGCBFT-HNNXBMFYSA-N 400.162 -0.503 50 20 HBGD Cc1nc(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)c(=O)[nH]c1C 1843010575 GEPFFJVACXARDZ-UHFFFAOYSA-N 410.239 -0.803 50 20 HBGD NC(=O)c1ccccc1C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012023 VYYZTFUYLFJCLB-UHFFFAOYSA-N 407.235 -0.404 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CN(C)C(=O)C3CC3)cc2)CC1 733362673 VYKAWQJNVWRGNY-UHFFFAOYSA-N 409.512 -0.066 50 20 HBGD COCCOc1ccc(-n2nc(C)c(C(=O)NNC(=O)C(=O)NC3CC3)n2)cc1 735030763 JSRZTPUBQLMCQQ-UHFFFAOYSA-N 402.411 -0.359 50 20 HBGD O=C(CNC(=O)c1ccco1)NNS(=O)(=O)c1ccc(N2CCOC2=O)cc1 740811520 LUENOYZLZXBRAQ-UHFFFAOYSA-N 408.392 -0.024 50 20 HBGD C[C@H](C(=O)NNC(=O)CNC(=O)c1cccs1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 744360630 DYRVDBIYHNIGJS-CAWZCGCOSA-N 420.447 -0.824 50 20 HBGD CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N2CCOCC2)cc1 745996415 WUTRAOVBDNBFBR-UHFFFAOYSA-N 413.456 -0.662 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CCC(=O)c1ccc2c(c1)OCCCO2 758028265 CUYVBVMXRMFHSC-NSHDSACASA-N 413.452 -0.104 50 20 HBGD Cc1c(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cnn1CCO[C@@H]1CCCCO1 758047286 KOVAKMOWWZILMP-BXUZGUMPSA-N 417.488 -0.567 50 20 HBGD O=C(COC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)NNC(=O)c1ccccc1 762384829 SYYXLCMVDQZQMF-UHFFFAOYSA-N 404.404 -0.512 50 20 HBGD CNS(=O)(=O)c1cc(C(=O)NNc2nccc(N3CCOCC3)n2)ccc1OC 762867217 UTYGJLYUGMKJBY-UHFFFAOYSA-N 422.467 -0.013 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc2c(cc1Cl)OCCO2 764227647 OXGQDQNJCPLKHZ-ZETCQYMHSA-N 420.831 -0.865 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccnn1CCc1ccccc1 764229603 BGCPKXXOPHLAIQ-LBPRGKRZSA-N 422.467 -0.851 50 20 HBGD C[C@@H]1CN(Cc2cccc(NC(=O)C(=O)NNC(=O)[C@@H]3COCCO3)c2)C[C@@H](C)O1 764425268 OHNWGBLCBPFYHY-CPUCHLNUSA-N 420.466 -0.203 50 20 HBGD CC(C)(C)OC(=O)NCC(=O)NCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 766319760 DIUBYUCKKCFQNW-CYBMUJFWSA-N 408.411 -0.385 50 20 HBGD Cc1ccc(S(=O)(=O)NCCNC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)s1 772630280 IKHRLAQKYGLXCN-ZDUSSCGKSA-N 410.543 -0.284 50 20 HBGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1 773497701 YXDNQVVLACKMCW-MRXNPFEDSA-N 416.434 -0.123 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1nc(CC(C)(C)C)cs1 789736012 YPQWEAYOOKMVBB-QMMMGPOBSA-N 405.502 -0.245 50 20 HBGD CS(=O)(=O)c1ccc(NC(=O)NNC(=O)CCN2CCCS2(=O)=O)cc1 802064049 HGLGIDWEJZORLM-UHFFFAOYSA-N 404.470 -0.332 50 20 HBGD CCCn1nc(C(=O)NNC(=O)CN2CCCS2(=O)=O)c2ccccc2c1=O 916035277 ILKXSYNBJCTYDD-UHFFFAOYSA-N 407.452 -0.397 50 20 HBGD O=C(CSCc1cc(=O)n2ccsc2n1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1317894766 RIKNCJAWLQWBQD-SECBINFHSA-N 416.506 -0.429 50 20 HBGD C[C@@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccc1C(=O)NN)C2 1781989505 KQKYSZSAKXIMBP-KPAZRMRSSA-N 405.455 -0.807 50 20 HBGD CC1=C(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)CCO1 1787161289 VXCKRQIGZAJZTF-SNRMKQJTSA-N 414.267 -0.346 50 20 HBGD CN[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](Cl)COC)[C@H]2C1)C(=O)O 1791251635 OHLFRRUDQXDWJG-YHQUGGNUSA-N 405.879 -0.717 50 20 HBGD C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1793820250 SLMFEYWVFPJGNB-JLVBRIDZSA-N 404.297 -0.511 50 20 HBGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NNC(=O)C1 1797677374 CMNPPIIQIRZYLI-XHSYRHOGSA-N 401.261 -0.517 50 20 HBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798012346 UPBUTLZRPNKGSK-DTHBNOIPSA-N 401.807 -0.225 50 20 HBGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CNC(=O)C1)C2 1800643998 BZURGUGHOHCXDX-HNRZYHPDSA-N 402.289 -0.114 50 20 HBGD O=C(/C=C/c1cnc[nH]1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1801239744 OKLALNZYSQCMID-RKLKBWSTSA-N 410.239 -0.994 50 20 HBGD C[C@H](C(=O)N1CC[C@H](CNC(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1)n1cnnn1 1803146083 KELARJCHGROGPA-RZFFKMDDSA-N 407.862 -0.065 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCC2(CCCN(C(=O)[C@H](O)CCl)C2)CC1 1805519347 OEVRIALEVHZYGX-MRXNPFEDSA-N 408.691 -0.189 50 20 HBGD CC[C@H](O)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834800579 OZCVOZYLPNRWDN-IBGZPJMESA-N 417.315 -0.678 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CCC(=O)N3)CCO2)C1 1835307771 HOBYJTJXCXRBHS-OAUYIBNBSA-N 422.309 -0.042 50 20 HBGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1)N1CCN(C)CC1 1839102977 ZZSGGXDNPZHIOJ-IIDMSEBBSA-N 420.913 -0.387 50 20 HBGD COC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840182331 HGUYPTDHFWBBDS-KXBFYZLASA-N 414.503 -0.902 50 20 HBGD O=C(COc1ccccc1O)NNC(=O)NCCS(=O)(=O)N1CCSCC1 730828992 ZGQXQSQRZQURDE-UHFFFAOYSA-N 418.497 -0.520 50 20 HBGD COCCCNC(=O)NNC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 731616842 CZVNHZBPLYAPLF-BFHYXJOUSA-N 418.516 -0.537 50 20 HBGD O=C(NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)C(=O)N1CCCC1 748240442 GFWQYKOGDLUPDF-CQSZACIVSA-N 408.480 -0.143 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 758028317 DPBOZXGHWPSZOX-SECBINFHSA-N 410.412 -0.306 50 20 HBGD Cc1ccc(CN2CCN(CC(=O)NNS(=O)(=O)c3cnn(C)c3)CC2)cc1 765126704 MMXUJCHNZGULBQ-UHFFFAOYSA-N 406.512 -0.144 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C2(c3cccc(F)c3)CC2)n(C)c1=O 766638093 XLEVOHNMHUZGOR-UHFFFAOYSA-N 414.397 -0.548 50 20 HBGD CSCCNC(=S)NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 769769342 SVWQGPOJARLHLR-UHFFFAOYSA-N 421.570 -0.482 50 20 HBGD CNS(=O)(=O)CCNC(=O)NNC(=O)COc1ccc(Br)cc1 784126900 CIKQFFKGCYMXEW-UHFFFAOYSA-N 409.262 -0.293 50 20 HBGD COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)cc1 792854272 IOTGTKQXLGXAPU-STQMWFEESA-N 419.525 -0.146 50 20 HBGD COC(=O)[C@@H](CS(=O)(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccccc1 795291567 XTJIPJWLBUEJHS-STQMWFEESA-N 404.466 -0.672 50 20 HBGD CNC(=O)NCCC(=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 815827736 MAOZBEXMVJAZJZ-UHFFFAOYSA-N 410.906 -0.076 50 20 HBGD CC(C)CNC(=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2 1778111824 FULNAQGDHWNARC-PMUMKWKESA-N 403.907 -0.128 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)C1CC(=O)C1)CCO2 1779035629 KFJWBLOYTYOXPT-LJQANCHMSA-N 401.423 -0.892 50 20 HBGD C[C@@H](Cn1cncn1)C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1779223344 HHQQVZLILJPFTO-KXBFYZLASA-N 421.502 -0.883 50 20 HBGD Cc1ocnc1C(=O)N1CC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1779770866 WZRCJCPSOQBWDO-LJQANCHMSA-N 414.422 -0.261 50 20 HBGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCNC1=N)C2 1782170539 PSPMLIUQZQFEDA-HBUWYVDXSA-N 415.922 -0.406 50 20 HBGD CCC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2 1793446399 AWOFBVXVCLKFPX-FBKDDSFISA-N 423.861 -0.577 50 20 HBGD Cc1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)CCl)C3)cn2[nH]cnc(=O)c12 1798459437 KNDYUUBMLNKEBP-XCCSTKFXSA-N 423.857 -0.866 50 20 HBGD CC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)CC)C2 1799263654 RRFAFTGESVSJJE-RKQHYHRCSA-N 409.936 -0.079 50 20 HBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)C=CC1=O)C2 1800970550 FQDSECNHCXMWNH-LKQDWFRTSA-N 413.858 -0.855 50 20 HBGD O=C(Cn1ccnn1)N1CCCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1 1810208068 NHYCCFWAHDHUGH-UHFFFAOYSA-N 411.271 -0.497 50 20 HBGD CCC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830738729 STZZRYLRCBPQFD-MPGHIAIKSA-N 419.906 -0.653 50 20 HBGD CC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835935839 UTOQKMZMYPPEIY-SFHVURJKSA-N 412.198 -0.908 50 20 HBGD O=C(Cc1ccc(F)cn1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1836027695 NXFOKHVAQYGBHH-YJBOKZPZSA-N 415.849 -0.181 50 20 HBGD C[C@@H]1C[C@]1(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839086713 FMLPDZRQTDODCE-GQWLDOHISA-N 416.283 -0.518 50 20 HBGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)[nH]3)C2)C1 1840033793 QEQRVDHGEPMDFA-MEBBXXQBSA-N 417.260 -0.031 50 20 HBGD C[C@@H](CBr)C(=O)N1CCCC12CN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2 1841286445 GHWAEQIZQZURHN-VIFPVBQESA-N 424.259 -0.339 50 20 HBGD C#CCNC(=O)CN1CCN(CC(=O)NNC(=O)c2cc(C)c(CC)s2)CC1 736310717 XCNXGUSDXZTPPW-UHFFFAOYSA-N 405.524 -0.253 50 20 HBGD COc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)nn1 737466499 NDJKBKRGGQJIGN-UHFFFAOYSA-N 421.435 -0.419 50 20 HBGD CCN1CCC[C@H]1CN1C[C@H](C(=O)NNC(=O)C(=O)Nc2ccccn2)CC1=O 758830289 JENMYXNTOVPXDM-KGLIPLIRSA-N 402.455 -0.500 50 20 HBGD CC(C)(C)C(=O)NNC(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 761063744 LRZUERVRJHYTDP-HNNXBMFYSA-N 418.450 -0.167 50 20 HBGD COc1ccc(C(=O)NNC(=O)CN2CCN(C(=O)[C@H]3CCCO3)CC2)cc1OC 762525102 NRSKOGNHNVTHGP-MRXNPFEDSA-N 420.466 -0.212 50 20 HBGD CC(=O)Nc1cncc(C(=O)NNC(=O)CNC(=O)CNC(=O)OC(C)(C)C)c1 767147617 AKPMYEDKMJYXRF-UHFFFAOYSA-N 408.415 -0.558 50 20 HBGD CCCCCn1nc(C(=O)NNC(=O)CNS(=O)(=O)NC)c2ccccc2c1=O 774327291 MQQVBDBPUHDCQY-UHFFFAOYSA-N 424.483 -0.599 50 20 HBGD CN(NC(=O)c1cn(CC(N)=O)nn1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 776205056 INCAUPLIZMVKOY-UHFFFAOYSA-N 410.435 -0.987 50 20 HBGD COCCn1nc(C)c(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)c1C 784003896 RCVDCMGDBVAZPZ-UHFFFAOYSA-N 422.467 -0.276 50 20 HBGD CN(C)N(C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 792853713 GRENJSGOLSQYLI-NSHDSACASA-N 420.469 -0.635 50 20 HBGD O=C(CCn1cnccc1=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 794196855 WELDYVOLYZKMOA-UHFFFAOYSA-N 419.463 -0.121 50 20 HBGD COC[C@H](C)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 915888094 MUZUQYRZXAQZHX-LBPRGKRZSA-N 400.457 -0.314 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)CCc3cnccn3)C2)C1 1784561752 ZAUWLZDQAXXXAB-HXUWFJFHSA-N 418.498 -0.388 50 20 HBGD CC(C)N(C)CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1784773010 KUDSPRMNYLEPOS-FQEVSTJZSA-N 418.498 -0.531 50 20 HBGD CNc1nsnc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1792556678 HTTCPMCYIQTPCN-BTTYYORXSA-N 415.284 -0.175 50 20 HBGD O=C1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](F)Br)C3)CN1 1792584676 XQWGJUWBPBCTFM-DQYMBCKPSA-N 406.252 -0.207 50 20 HBGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cncn1)C2 1792868436 YGUHNVJDAIPDSH-FMSGJZPZSA-N 400.277 -0.101 50 20 HBGD Cc1nscc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1794517944 VGDIDCSIPJYKSP-XOIINTDNSA-N 415.280 -0.352 50 20 HBGD COC[C@@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCBr 1795115993 ZSEZDCMZRRQRBR-QVHKTLOISA-N 420.304 -0.488 50 20 HBGD CN[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)Br)C2)C(=O)O 1795647448 OOTLTAQNSWDZKV-BZNQNGANSA-N 406.277 -0.578 50 20 HBGD CC(=O)C[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797754357 SIDRXMWSADUYMU-DPYKFYPSSA-N 417.466 -0.497 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)n1)C2)[C@H](F)Br 1799347954 YKIPFGLMWLPHLJ-SSDHTEECSA-N 419.207 -0.219 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Br 1799352273 NPPZBCPGXOMQFZ-DJBIQUGXSA-N 423.283 -0.361 50 20 HBGD O=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2)c1ccccc1 1830725973 SXSSYTYXLOXQMX-HNAYVOBHSA-N 410.854 -0.075 50 20 HBGD CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1835675108 JOIYTBWUJABEIF-KDOFPFPSSA-N 416.906 -0.676 50 20 HBGD NC[C@@H](C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1)c1ccccc1 1843010975 BAEOJMVTTSCRBH-LJQANCHMSA-N 407.279 -0.074 50 20 HBGD Cn1nc2c(c1C(=O)N1CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C1)CCC2 1843012156 JWMDGFPQDSRHSU-UHFFFAOYSA-N 408.267 -0.281 50 20 HBGD O=C(CCOc1ccccc1)NNC(=O)NCCS(=O)(=O)N1CCOCC1 52145131 UZYBCKXZIVXUJS-UHFFFAOYSA-N 400.457 -0.552 50 20 HBGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)[C@H]1CCCCN1S(C)(=O)=O 734239867 YARZXYRIMFCJRA-LLVKDONJSA-N 407.493 -0.344 50 20 HBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc(OC)c(S(=O)(=O)NC)c1 740851373 BSRQAZCCTUCXGU-UHFFFAOYSA-N 400.457 -0.331 50 20 HBGD CC(C)CNC(=O)N1CCC[C@@H](C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 741213511 PIGJKQOFGUHFLK-CHWSQXEVSA-N 403.505 -0.419 50 20 HBGD COc1cccc(C(=O)NNC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1O 743316980 MPJCHAPULUDRFQ-FKGLVLAHSA-N 403.391 -0.286 50 20 HBGD CC(C)(NS(C)(=O)=O)C(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 744620071 BHUXCSPEXGVYCH-UHFFFAOYSA-N 420.513 -0.522 50 20 HBGD CN(CCN1C(=O)c2ccccc2C1=O)C(=O)NNC(=O)CNC(=O)c1ccco1 754100861 FGUIGLKNIRVIBU-UHFFFAOYSA-N 413.390 -0.022 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 758036749 UZBAEHXFEAUCPW-RISCZKNCSA-N 408.480 -0.387 50 20 HBGD Cc1cccc(OCC(=O)NNC(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)c1 763629701 GTJOOWGLCBZOBE-UHFFFAOYSA-N 406.420 -0.193 50 20 HBGD CC(C)c1nc2cc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)ccc2o1 764227874 SJQAOLBBPMAZAJ-VIFPVBQESA-N 411.440 -0.025 50 20 HBGD CCCOc1cc(C)ccc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 764230665 IZGGQWZSSBYZJB-NSHDSACASA-N 400.457 -0.193 50 20 HBGD O=C(CO)NNC(=O)C(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 764420589 CPHZRWYMKHGLGV-UHFFFAOYSA-N 405.455 -0.031 50 20 HBGD Cc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 766635957 KFKTUGDHQOGWNX-UHFFFAOYSA-N 415.366 -0.888 50 20 HBGD C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NNC(=O)CNC(=O)c1cccnc1 771047681 ZFWKVISMWXSOKG-SNVBAGLBSA-N 411.465 -0.613 50 20 HBGD Cc1ccc(-n2cc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cn2)c(C)c1 786417135 MBLUTWOYCWDKGA-GFCCVEGCSA-N 422.467 -0.487 50 20 HBGD O=C(Cn1c(S)nc2ccccc2c1=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 799578318 UDWNCENKVVBBRG-SECBINFHSA-N 411.465 -0.797 50 20 HBGD CN1CCN(C(=O)NNC(=O)[C@H](CCC(N)=O)NC(=O)OCc2ccccc2)CC1 807381389 QJHCGIUHEPGWSG-HNNXBMFYSA-N 420.470 -0.465 50 20 HBGD Cn1cnn(CCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1=O 814698712 PFROLYQGHRHVGZ-UHFFFAOYSA-N 422.467 -0.782 50 20 HBGD COCCS(=O)(=O)CC(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12 915636377 RQJHTCAZXQMZJC-UHFFFAOYSA-N 410.452 -0.200 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)[C@@H]3[C@H]4C=CS[C@@H]43)C2)C1 1782734842 DINVGCGXFLTRGX-WWNBULGVSA-N 414.292 -0.315 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccn3)[C@H]2C1 1785930616 WYVSMBOMJBBWFU-DZKIICNBSA-N 404.471 -0.557 50 20 HBGD Cc1cnoc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984908 XKMSTERFYMVCBS-XIRDDKMYSA-N 413.239 -0.430 50 20 HBGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)CCC(N)=O)C[C@@H]21 1791057470 DKDQPBPFJSNYJT-MOLYVOAJSA-N 419.320 -0.658 50 20 HBGD Cc1oncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797749640 IBBACLVYGTUBPY-DRXBFXEBSA-N 414.422 -0.501 50 20 HBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC=CO1)C2 1797751834 UAKHIRAXQLUMCW-RMHZUWNSSA-N 415.450 -0.419 50 20 HBGD CN1CCC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)C1 1801012634 SOEYTISYMXVBSS-OAFZBRQQSA-N 409.531 -0.709 50 20 HBGD CS(=O)(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1803263929 BFWREFRXZPLRPQ-CLLJXQQHSA-N 423.495 -0.628 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)CNC(N)=O)[C@H]1c1cccnc1 1813075099 YGGVILRGFZAFIQ-KSSFIOAISA-N 419.486 -0.871 50 20 HBGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC(=O)NC1)CCO2 1829955745 AXLFQHOGRVEGLL-SUNYJGFJSA-N 401.891 -0.014 50 20 HBGD N=C(N)SCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830722687 GSYVFWAGCMHDNU-XHDPSFHLSA-N 408.908 -0.941 50 20 HBGD O=C(NC1CCN(C2CCN(C(=O)c3cc(O)ncn3)CC2)CC1)[C@H](O)CCl 1833306463 SBSPQCGMXKZZIN-OAHLLOKOSA-N 411.890 -0.033 50 20 HBGD O=C1CN(CC(=O)NC2CCN(C3CCN(C(=O)[C@@H](F)Cl)CC3)CC2)C(=O)N1 1833711156 CMFCSCWSENHLLZ-OAHLLOKOSA-N 417.869 -0.356 50 20 HBGD NC(=O)CC[C@H](N)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](F)Cl)CC2)CC1 1834673445 UXXVKKVZDDBTAL-DZGCQCFKSA-N 405.902 -0.315 50 20 HBGD Cn1nncc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834819689 YKOJWWKAOQYZBT-OAHLLOKOSA-N 416.276 -0.330 50 20 HBGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939418 PXYCYTAHJLWUHJ-LPHOPBHVSA-N 424.690 -0.546 50 20 HBGD O=C(Cn1cncn1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1836138151 ZDISUJKCDMNKFG-TZMCWYRMSA-N 420.239 -0.575 50 20 HBGD CC(C)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCO2)C1 1839076209 HCNFFNNVIHUGDH-SUNYJGFJSA-N 403.907 -0.569 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCSC)C2)C1 1840155709 GXQJHGAWTUSSQK-GRDNDAEWSA-N 424.947 -0.189 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C(/C)C(=O)O)CCO2)C1 1840839104 JDQYFJQQFPISOK-MWZXSIIFSA-N 404.847 -0.273 50 20 HBGD CCCC(=O)N[C@H](C)C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1844359830 SRZUFCNMYSQVTE-CQSZACIVSA-N 401.272 -0.512 50 20 HBGD O=C(Cc1c[nH]c2ccccc12)NNC(=O)NCCS(=O)(=O)N1CCOCC1 52303075 RCULFKWRLJJFAJ-UHFFFAOYSA-N 409.468 -0.297 50 20 HBGD COc1ccc(C(=O)NNC(=O)CN2CCC[C@H](N3CCNC3=O)C2)cc1OC 744201281 ZEGWHHCTDISIAK-AWEZNQCLSA-N 405.455 -0.046 50 20 HBGD CCN1CCO[C@H](C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C1 746093285 NSCFSHVXIDMDEP-INIZCTEOSA-N 410.496 -0.047 50 20 HBGD CN(CCCC(=O)NNC(=O)C(=O)N1CCCC1)S(=O)(=O)c1ccc(F)cc1 748246689 FWQMRTPIMCKPJB-UHFFFAOYSA-N 414.459 -0.004 50 20 HBGD CS(=O)(=O)c1nc(C(=O)NNC(=O)CNC(=O)c2cccs2)c2ccccn12 751206570 OMDIYVGZFLVURX-UHFFFAOYSA-N 421.460 -0.010 50 20 HBGD O=C(NNC(=O)C1CCC1)C(=O)Nc1ccccc1OCC(=O)N1CCOCC1 764344088 YZESIDSEEYOSAY-UHFFFAOYSA-N 404.423 -0.190 50 20 HBGD C[C@H]1CN(Cc2ccccc2NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)C[C@@H](C)O1 764434644 QZFZMIFOCZQXNQ-JKIFEVAISA-N 420.466 -0.203 50 20 HBGD Cc1cc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)ccc1-n1cncn1 764818210 QBDWXSJRHAAMCY-UHFFFAOYSA-N 421.421 -0.527 50 20 HBGD Cc1csc(CC(=O)NNC(=O)CN2CCC(O)(CN3CCOCC3)CC2)n1 779603975 OYKZXVAOBABUEJ-UHFFFAOYSA-N 411.528 -0.699 50 20 HBGD N#CC1(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 797580792 LADJIGSGQLPJDN-UHFFFAOYSA-N 407.452 -0.045 50 20 HBGD NS(=O)(=O)c1cccc(N2C[C@H](C(=O)NNC(=O)NCC(F)(F)F)CC2=O)c1 798313148 BFEHRNVTYJALKY-MRVPVSSYSA-N 423.373 -0.420 50 20 HBGD CC(C)(C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1)N1CCOCC1 801171460 FIJULXZKNHTWAL-UHFFFAOYSA-N 417.510 -0.297 50 20 HBGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NCCn2cnc(C#N)n2)nc1 807511362 WHACZJLCCBKKND-UHFFFAOYSA-N 407.460 -0.098 50 20 HBGD CCCNS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)NCC(=O)OC)cc1 808105517 ICBVLBOTLKEKGF-UHFFFAOYSA-N 408.458 -0.960 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@@H](O)C(C)C)CC2)cc1 813488548 YMWPEEOTXKTWEZ-KRWDZBQOSA-N 412.512 -0.534 50 20 HBGD O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NNC(=O)C1CCN(c2ncccn2)CC1 815408879 XYJMJDDJWJTNJG-GASCZTMLSA-N 412.450 -0.208 50 20 HBGD N#Cc1cccc(S(=O)(=O)NCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 913416631 MFJXHONBBUPESV-INIZCTEOSA-N 416.415 -0.176 50 20 HBGD NC(=O)c1cc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c[nH]1 916736238 BODAGACHNLNYOL-UHFFFAOYSA-N 405.436 -0.027 50 20 HBGD Cn1nc(C(=O)NNC(=O)CNS(=O)(=O)c2ccccc2)c2ccccc2c1=O 1115812593 WLHHQGOJVBMLSZ-UHFFFAOYSA-N 415.431 -0.327 50 20 HBGD Cn1c(=O)ccn(CC(=O)NNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)c1=O 1321909031 FQPCPCJVBHTVCB-UHFFFAOYSA-N 409.443 -0.659 50 20 HBGD Cc1csc(CC(=O)NNC(=O)CN2CCC(C(=O)N3CCOCC3)CC2)n1 1322753580 GQGFCLMTGDDGQE-UHFFFAOYSA-N 409.512 -0.288 50 20 HBGD CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NNc2cnnn2C)c1 1324569069 VFSABCYCOJUVHO-UHFFFAOYSA-N 409.472 -0.341 50 20 HBGD CN1CCN(CC(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](F)Br)C3)C2)CC1 1781330343 WPXVPFYCVJSEDY-HOCLYGCPSA-N 421.311 -0.246 50 20 HBGD Cc1cc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cccc(B(O)O)c2)CCO3)no1 1784361204 LIMAWSLMSOSXHC-FQEVSTJZSA-N 413.239 -0.651 50 20 HBGD COC[C@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCBr 1795115994 ZSEZDCMZRRQRBR-XFMPKHEZSA-N 420.304 -0.488 50 20 HBGD Cc1ccnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c1 1796531099 CKNPMYNFWLWNJM-HGKCTWBKSA-N 409.251 -0.413 50 20 HBGD C[C@@H]1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)O1 1797750610 MFGVPEKUAUWCPC-XIUQWWLSSA-N 417.466 -0.544 50 20 HBGD O=C1CN(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H](F)Br)C(=O)N1 1800157799 YFXDOPRYPUCXRX-NHRVJRKFSA-N 405.224 -0.133 50 20 HBGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@H](N)C(N)=O)C2 1800640223 ZQXJGUOJOZRGOR-GHMOJZLGSA-N 419.320 -0.658 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC1CCOCC1)C2 1801013334 PSUKTMRFYIDMAW-CWPLJXCYSA-N 410.515 -0.234 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H]3CCC(=O)N3)sc2C1 1814062150 WTMYSDIIUJUUIL-PWSUYJOCSA-N 422.511 -0.293 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(F)F)CCO2 1834915013 NIYVRZJCIYGWSD-QGZVFWFLSA-N 413.381 -0.980 50 20 HBGD O=C1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)N1 1835307813 KSFJQHWEVLPKTD-IXPVHAAZSA-N 422.251 -0.588 50 20 HBGD CC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1839879103 OZZVWVBXTZOJRR-KSSFIOAISA-N 415.563 -0.181 50 20 HBGD CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCCC12CN(C(=O)[C@H](O)CCl)C2 1841297641 BINZIVZVIRVTFQ-NEPJUHHUSA-N 405.879 -0.325 50 20 HBGD Cn1c(=O)c2c(ncn2CCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)n(C)c1=O 17330318 UDXZAJDJPIYGRW-UHFFFAOYSA-N 415.366 -0.807 50 20 HBGD COCCNC(=O)C1CCN(C(=O)NNC(=O)CNC(=O)c2cccs2)CC1 725872962 UBQCQTLUROJMAU-UHFFFAOYSA-N 411.484 -0.307 50 20 HBGD O=C(NCCS(=O)(=O)N1CCOCC1)NNC(=O)c1cccc(OC(F)F)c1 728596015 DCFFXBGRHPAPKF-UHFFFAOYSA-N 422.410 -0.106 50 20 HBGD COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 734994699 UIJQEKGYMDVSAU-NEPJUHHUSA-N 418.493 -0.313 50 20 HBGD CCN=c1nc(NCC)n2c(SCC(=O)NNC(=O)c3cnn(C)c3)n[nH]c2n1 735471131 QHHODNYGTINVSY-UHFFFAOYSA-N 419.475 -0.908 50 20 HBGD CS(=O)(=O)N1CCN(CCNC(=O)NNC(=O)COCc2ccccc2)CC1 738474246 GDOJQQGPGKXCMH-UHFFFAOYSA-N 413.500 -0.889 50 20 HBGD COc1ccc(C(=O)NNC(=O)C[C@H](NC(C)=O)C(N)=O)cc1Br 746248334 CYFABOZHPUFPCM-JTQLQIEISA-N 401.217 -0.401 50 20 HBGD CN1C(=O)c2ccc(S(=O)(=O)NNC(=O)CNC(=O)c3cccs3)cc2C1=O 751279490 LAFKEHJOSBFUGT-UHFFFAOYSA-N 422.444 -0.287 50 20 HBGD CN(NC(=O)Cn1ccc(=O)n(C)c1=O)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 758788334 YUXAGLFRQVZQEM-UHFFFAOYSA-N 424.458 -0.817 50 20 HBGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c2cccnc2c1C 764227630 OSNHVVKFTHZDOS-NSHDSACASA-N 407.452 -0.125 50 20 HBGD CCOC(=O)c1cnn2c(C(=O)NNC(=O)CNC(=O)c3cccnc3)ccnc12 764685591 ANEIZHDITHYBKA-UHFFFAOYSA-N 411.378 -0.508 50 20 HBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)N[C@H](C)[C@H]1CN(C)CCO1 769953985 MOJOPZOEVJLKRS-DGCLKSJQSA-N 412.516 -0.049 50 20 HBGD CN(C)CCN1C[C@@H](C(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)CC1=O 772897763 LSHRKBOEMMEHNL-ZDUSSCGKSA-N 409.874 -0.486 50 20 HBGD COc1ccc(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cc1-n1cnnn1 781930741 TZESDGXKQXKEMP-UHFFFAOYSA-N 420.389 -0.007 50 20 HBGD O=C(COC(=O)c1cnn2c1OCCC2)NNC(=O)[C@@H]1COc2ccccc2O1 795728377 TWIGVPLIFBMWCY-AWEZNQCLSA-N 402.363 -0.190 50 20 HBGD O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)NNC(=O)c1nnc(O)c2ccccc12 934900392 BEYYHTKVLYSJSU-CHPZLBCBSA-N 407.386 -0.097 50 20 HBGD CC(C)(C)OCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779029295 VORVWXYYWIBAOZ-FQEVSTJZSA-N 419.482 -0.056 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCCOC1)CCO2 1779035158 AAUHTFCBKWIVOG-VLIAUNLRSA-N 417.466 -0.445 50 20 HBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2)c1cc(CO)on1 1780217146 FNKJHMYROSDNON-JJRVBVJISA-N 401.847 -0.106 50 20 HBGD CCC1(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)COC1 1782948303 SVWCZSCDXZLDAS-FQEVSTJZSA-N 402.256 -0.764 50 20 HBGD CC(C)(CCl)C(=O)N1CCO[C@@]2(CCN(C(=O)CN(CCO)CCO)C2)C1 1783256816 SUGMEMLUBMDWBO-GOSISDBHSA-N 405.923 -0.632 50 20 HBGD Cc1nccn1[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783937714 NLKOVFSFJIVNOF-MGPUTAFESA-N 420.514 -0.045 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(CO)o3)C[C@@H]21 1791290988 GOPJKEDSOMLVEP-QRTARXTBSA-N 422.482 -0.262 50 20 HBGD CC(=O)N1CCN(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H](O)CCl)CC1 1793111629 TVQKZRKWFVRAGH-QKPAOTATSA-N 400.907 -0.612 50 20 HBGD CCOC(=O)N[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCBr 1795115575 ALDUPRSOCFVKPI-LYIQGSDWSA-N 422.276 -0.575 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccsc1)C2)c1ccc(B(O)O)cc1 1795732455 HEDNJMKEWHZCDY-SCAQPMJSSA-N 400.265 -0.055 50 20 HBGD CN1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CO[Si](C)(C)C)CC1 1797956949 QXYVQOFIQYYVJZ-HGKCTWBKSA-N 412.607 -0.325 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCCC1=O)C2)[C@@H](F)Br 1799346257 MPXAHGSUYWBDPS-RDBQEKCUSA-N 406.252 -0.111 50 20 HBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ncccn3n1)C2 1800977896 HBYFRGHIEUJZLO-RNJOBUHISA-N 408.846 -0.419 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)c1cccn1C 1801443640 OIMXQNYITXFHNF-ZSBFGKGUSA-N 419.482 -0.830 50 20 HBGD COC1(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)CCC1 1801617061 NOVKZTFJXPMLJT-CCWDJLKJSA-N 410.515 -0.092 50 20 HBGD C[C@@H](Br)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)CNC1=O)C2 1801958749 LFEBOJJDRQTHFV-CHWFTXMASA-N 401.261 -0.040 50 20 HBGD CNC(=O)CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817470483 SCNMLXYSRONIHV-OAHLLOKOSA-N 413.243 -0.469 50 20 HBGD O=C(c1ccc(=O)oc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830725441 OMOXFINBTSTDDN-SUMWQHHRSA-N 400.815 -0.691 50 20 HBGD CC(C)/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835934547 XRLNVKQPUQDHOC-RPZUPEABSA-N 416.283 -0.351 50 20 HBGD CN1C(=O)CC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)C(Cl)Cl)CCO2)C1 1840189433 QHYXULYGUIJZRN-MEDUHNTESA-N 408.282 -0.133 50 20 HBGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C(Cl)Cl)CCO2)C1)n1cnnn1 1840190582 CHWLCOWNOBRNFF-QMTHXVAHSA-N 407.258 -0.506 50 20 HBGD O=C(c1[nH]nc2ccncc12)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011134 VFDMMAMJWYZTNB-UHFFFAOYSA-N 405.223 -0.232 50 20 HBGD COc1cccc(C(=O)NCCNC(=O)NNC(=O)CNC(=O)c2ccco2)c1 725871554 NFFXUJZPVSUWCZ-UHFFFAOYSA-N 403.395 -0.222 50 20 HBGD C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)C2=O 728374699 PMJZYEGQGRCXHV-GLKRBJQHSA-N 400.457 -0.931 50 20 HBGD CC(C)(C(=O)NNC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)c1ccccc1 746240230 XWXKEVHGPCGORY-UHFFFAOYSA-N 407.452 -0.483 50 20 HBGD COc1ccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1-n1nnnc1C 756321437 SVAPRQQZRSZBFL-QMMMGPOBSA-N 412.432 -0.930 50 20 HBGD CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)NCCOC)cc1 764082775 GCGNJLXYVUDOCM-NSHDSACASA-N 400.457 -0.257 50 20 HBGD Cc1nc(S(=O)(=O)NCC(=O)NNC(=O)c2cc(-c3cccs3)[nH]n2)cn1C 768262553 KSJQDVDWAUTSGA-UHFFFAOYSA-N 423.480 -0.080 50 20 HBGD O=C(CO)NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl 777780993 BVQNQBMARPCUTK-UHFFFAOYSA-N 412.251 -0.232 50 20 HBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCc1nnnn1C1CC1 1318844293 AIILAXZUOMVPNG-UHFFFAOYSA-N 407.460 -0.246 50 20 HBGD O=C(NNC(=O)c1nc(N2CCCC2)ncc1Cl)N[C@@H]1CCS(=O)(=O)C1 1319917913 MFCICRMXYWDJRP-SECBINFHSA-N 402.864 -0.139 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCN(C(C)=O)CC3)C2)C1 1778353928 DJPDOXDILQNXOD-VQIMIIECSA-N 414.934 -0.002 50 20 HBGD CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783935443 TWZXUGGVFYPXNG-DNVCBOLYSA-N 411.503 -0.010 50 20 HBGD CN[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)Br)[C@H]2C1)C(=O)O 1791058248 UPFXJTNBKDDQOA-VLJOUNFMSA-N 420.304 -0.188 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCNC(=O)C3)[C@H]2C1 1791349880 QKRFWXGKSDAFCB-QTVXIADOSA-N 401.891 -0.254 50 20 HBGD CCCNC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1793462817 KQVJJSHYQZUWCD-BCDXTJNWSA-N 415.299 -0.075 50 20 HBGD Cc1ncccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1794674729 CCFOAVPEHYQZST-HGKCTWBKSA-N 409.251 -0.413 50 20 HBGD CNC(=S)NCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](Cl)COC 1800976654 AOZWXNRJJNSGQV-OPDFLTKYSA-N 406.936 -0.686 50 20 HBGD C[C@H](NC=O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827052465 JUSXBKWGQYUEKX-KXBFYZLASA-N 415.299 -0.266 50 20 HBGD COCc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1 1830730861 FJOUEVBLDYOBLD-MAUKXSAKSA-N 415.874 -0.169 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnnn3C)CCO2)C1 1833237006 ZMBWKPUDGRVQBS-WBMJQRKESA-N 401.851 -0.861 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1839155473 UXJRQYCNWDUAHY-OAUYIBNBSA-N 422.309 -0.185 50 20 HBGD CC(=O)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1839883987 LMXOQOJIAQDYTP-MRXNPFEDSA-N 420.304 -0.246 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cncnc3)C2)C1 1840151213 XTMOEBLOSUSKSL-QAPCUYQASA-N 412.874 -0.271 50 20 HBGD C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C)C2=O 728178424 ARZCYRRBRSINGP-IIYDPXPESA-N 400.501 -0.021 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(I)cc1 729274719 BBMANTJAYBOOMN-ZETCQYMHSA-N 411.221 -0.010 50 20 HBGD CCS(=O)(=O)N(C)C1CCN(CC(=O)NNC(=O)Cc2nc(C)cs2)CC1 731355139 ORUNVYGHJRKQJA-UHFFFAOYSA-N 417.557 -0.113 50 20 HBGD Cn1nc(Br)c2c(=O)n(CC(=O)NNc3ncnc4[nH]cnc34)cnc21 743473798 SJVADGMALMHGHF-UHFFFAOYSA-N 419.203 -0.298 50 20 HBGD COC(=O)c1cc2c(cc1NC(=O)C(=O)NNC(=O)Cc1cccnc1)OCO2 753840314 IRPVHVFYVOCUCL-UHFFFAOYSA-N 400.347 -0.075 50 20 HBGD O=C(Cn1cnnn1)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 754801905 DORFXBZEMHLETK-UHFFFAOYSA-N 404.394 -0.164 50 20 HBGD Cc1cc(F)ccc1NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 755431878 PWALEYMNBPDUIJ-UHFFFAOYSA-N 403.374 -0.266 50 20 HBGD CN1C(=O)N(CC(=O)NNC(=O)CNC(=O)c2cccnc2)C(=O)C12CCCCC2 763825554 ZPNIJSCWOBGXPF-UHFFFAOYSA-N 416.438 -0.444 50 20 HBGD COc1c(F)ccc(F)c1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 766639127 NLIZDYBTWDCXBQ-UHFFFAOYSA-N 422.348 -0.818 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNc2ccnc(Br)c2)n(C)c1=O 771553703 XZJDMIKRWCVVDK-UHFFFAOYSA-N 408.216 -0.266 50 20 HBGD CC(C)n1nnnc1-c1ccccc1NC(=O)C(=O)NNC(=O)C(=O)N1CCCC1 783999185 BDRQSJGUDGWACU-UHFFFAOYSA-N 414.426 -0.371 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cnc(O)c3ccccc23)n(C)c1=O 787125864 KRMDMVQCIQQRAN-UHFFFAOYSA-N 423.389 -0.851 50 20 HBGD CC(C)OCCS(=O)(=O)NCC(=O)NNc1ccccc1S(=O)(=O)N(C)C 795168385 OMWBUZNYOZVBOU-UHFFFAOYSA-N 422.529 -0.276 50 20 HBGD COc1ccc(OCC(=O)NNC(=O)NC2CCC3(CC2)NC(=O)NC3=O)cc1 807544827 DYGMUVWAGHOXGW-UHFFFAOYSA-N 405.411 -0.075 50 20 HBGD Cn1cncc1C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 809537542 MYLXGTOFSDFHGY-UHFFFAOYSA-N 421.479 -0.165 50 20 HBGD O=C(CNS(=O)(=O)c1ccc(Br)cc1)NNC(=O)c1cnn[nH]1 810353598 NKBNACVLMNUXAT-UHFFFAOYSA-N 403.218 -0.693 50 20 HBGD CC(=NNC(=O)[C@@H](C)CN1CCOCC1)c1ccc(S(=O)(=O)CC(N)=O)cc1 814763013 QGUUEBXBFVNOEG-ZDUSSCGKSA-N 410.496 -0.246 50 20 HBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(F)c(S(=O)(=O)NC2CC2)c1 914470503 IUHRVTFSGIHQSA-SNVBAGLBSA-N 419.456 -0.538 50 20 HBGD O=C(NNC(=O)C1CCN(C(=O)N2CCCC2)CC1)N[C@@H]1CCS(=O)(=O)C1 1321949045 YTZSIORTZSTCSQ-CYBMUJFWSA-N 401.489 -0.568 50 20 HBGD CC1(Cn2cc(C(=O)NNC(=O)C3CCN(c4ncccn4)CC3)nn2)COC1 1323860575 ZFBFMYGUHZKFBP-UHFFFAOYSA-N 400.443 -0.218 50 20 HBGD CNC(=O)CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782210173 ITXMKTXVKASKOY-AUUYWEPGSA-N 411.503 -0.991 50 20 HBGD C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)n1cccn1 1784526723 SVIWNMKXWAGCSD-DNVCBOLYSA-N 406.487 -0.353 50 20 HBGD COc1ccnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)c1 1801011881 OVVGFDIPZBLQLY-HBCWATKFSA-N 419.482 -0.334 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3c1CCC3)C2 1801013080 URCQNVVHMDKAKD-HBCWATKFSA-N 418.498 -0.595 50 20 HBGD CN[C@H](CC(=O)N1CC[C@H](CNC(=O)[C@H](O)CCl)[C@@H]1c1cccnc1)C(=O)O 1803138639 MCJYIUMBSORXSW-KQTLUZQSSA-N 412.874 -0.250 50 20 HBGD COc1nccnc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830726145 WSBUTJVMGDCMRZ-YVEFUNNKSA-N 414.846 -0.845 50 20 HBGD CC(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1834732860 DCELQFONGADDDX-LJQANCHMSA-N 405.455 -0.589 50 20 HBGD CN[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)CCl)C2)C1)C(=O)O 1835751796 IKYVCPYQAQZVLI-ACJLOTCBSA-N 419.906 -0.230 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccn(C)n3)C2)C1 1840152112 XQAFTXUGEUXVOL-MAUKXSAKSA-N 414.890 -0.327 50 20 HBGD Cc1nn(C)cc1C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 733211537 AHNUUDXFYMNKOC-UHFFFAOYSA-N 407.452 -0.176 50 20 HBGD O=C(NNS(=O)(=O)c1cnn(-c2ccccc2F)c1)N[C@@H]1CCS(=O)(=O)C1 742028495 OUQMIBXNJILDTO-SNVBAGLBSA-N 417.444 -0.309 50 20 HBGD Cn1cc(NS(=O)(=O)c2ccsc2C(=O)NNC(=O)[C@H]2COCCO2)cn1 744643744 FAXAGNOFMYERJE-SNVBAGLBSA-N 415.453 -0.541 50 20 HBGD CON(C)S(=O)(=O)c1cc(C(=O)NNC(=O)C(=O)N2CCCC2)ccc1Cl 748247022 JGXIFSACAFLLAI-UHFFFAOYSA-N 418.859 -0.095 50 20 HBGD Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NNC(=O)CNC(=O)c1ccco1 751281144 BMMKNSVUJGMRES-UHFFFAOYSA-N 415.449 -0.269 50 20 HBGD O=C(NNc1ccc(C(F)(F)F)nn1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 755194555 RJNJXDIITYJLED-BDAKNGLRSA-N 407.374 -0.026 50 20 HBGD CCCOc1ccc(C(=O)NNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)cc1OC 763911930 SJPDFUZXOSTNKR-SNVBAGLBSA-N 416.456 -0.962 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C[C@H]2CCc3ccccc32)n(C)c1=O 765725939 WSWVXACKFLTQCN-CYBMUJFWSA-N 410.434 -0.299 50 20 HBGD C[C@H](CNC(=O)C(=O)NNc1nc(-c2ccc(Cl)cc2)no1)S(N)(=O)=O 784794718 GHESHIKELKPTRR-SSDOTTSWSA-N 402.820 -0.374 50 20 HBGD COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NNC(=O)N2CCN(C)CC2)C1=O 807382796 PVGSTPSBTCCDGJ-IBGZPJMESA-N 418.454 -0.550 50 20 HBGD O=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)NNC(=O)[C@H]1CCS(=O)(=O)C1 1323101902 RCWSONZAAITCOF-JTQLQIEISA-N 410.420 -0.193 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN)C2 1778091427 QJAURKMSEWQDCI-FVAZJHKTSA-N 404.471 -0.407 50 20 HBGD C/C(=C/C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1)C(=O)O 1779035304 DMWYBFCVUQAAJK-ICEKFOEVSA-N 417.422 -0.841 50 20 HBGD CC(C)(C)OC(=O)NCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1783395451 PVEMTGXJMXZBSL-PXAZEXFGSA-N 405.879 -0.059 50 20 HBGD Cc1nccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)n1 1791291168 NJZMELIOVDJZBV-ZOBUZTSGSA-N 418.498 -0.249 50 20 HBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ncccn1 1794479210 FLEGPWHSWRBKRO-BTTYYORXSA-N 409.450 -0.030 50 20 HBGD Cc1noc(N)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1795576262 PBCXWRCLYAHGNV-DRXBFXEBSA-N 408.459 -0.859 50 20 HBGD CCNC(=O)N[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCC(=O)NN(C)C)C2 1798387077 VIYNAIMHZZKXSR-APIJFGDWSA-N 410.519 -0.295 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccnn3)C2)C1 1837711839 SNHJKSAIPMAFBN-KRWDZBQOSA-N 411.535 -0.414 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C(/C)C(=O)O)C2)C1 1840156461 PPMKLGXRXGFAGX-CRASNYAKSA-N 404.847 -0.273 50 20 HBGD CC1CCC(NS(=O)(=O)CC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CC1 111105103 UEWWREURYNTVTF-UHFFFAOYSA-N 421.483 -0.079 50 20 HBGD NS(=O)(=O)c1ccc(CNC(=O)NNC(=O)CNC(=O)c2cccs2)s1 725873912 SIYNJIDLXTZEHV-UHFFFAOYSA-N 417.494 -0.283 50 20 HBGD CN(C)N(C(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)[C@@H]1CCS(=O)(=O)C1 728180765 XNZUWVCIWRVMDK-KUHUBIRLSA-N 420.491 -0.128 50 20 HBGD Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)NNC(=O)Cc2cccnc2)CC1 728957092 IZVZLAJHBXRENG-UHFFFAOYSA-N 422.467 -0.024 50 20 HBGD CS(=O)(=O)CCNC(=S)NNC(=O)CCN1CCN(c2ccccc2)CC1 729158333 VRRATXUOXSVSQT-UHFFFAOYSA-N 413.569 -0.261 50 20 HBGD CCS(=O)(=O)Nc1ccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1 756565102 VJPCHVVRGVXVBU-VIFPVBQESA-N 407.474 -0.461 50 20 HBGD O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NNc1nccc(N2CCOCC2)n1 762849351 ZMNLPRRWAMPTHZ-UHFFFAOYSA-N 417.451 -0.505 50 20 HBGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 763916664 IUFQHLRJSPWZJU-UHFFFAOYSA-N 409.362 -0.151 50 20 HBGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)NC1CCN([C@H]2CCC[C@H]2O)CC1 767938092 QTKGFZGUCUNAMM-DLBZAZTESA-N 414.470 -0.016 50 20 HBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O 772160524 QNCNAUPAZLWKOS-ZWNOBZJWSA-N 418.406 -0.594 50 20 HBGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2nnn(-c3ccn(C)n3)c2C)n1 814576873 DQZDJAHTBUDBBQ-UHFFFAOYSA-N 418.439 -0.379 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 916830670 OHYFSJCPYIIGEV-UHFFFAOYSA-N 415.431 -0.069 50 20 HBGD CCS(=O)(=O)CCOc1ccc(S(=O)(=O)NNC(=O)c2cnn(C)c2)cc1 1318667211 AGKPNRZYHODGCJ-UHFFFAOYSA-N 416.481 -0.143 50 20 HBGD Cn1nc(C(=O)NNC(=O)NCC2(CS(C)(=O)=O)CC2)c2ccccc2c1=O 1319159060 AHQQEPKPQNNYIT-UHFFFAOYSA-N 407.452 -0.298 50 20 HBGD COC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779029276 QDHAUXYJHLXHNU-LJQANCHMSA-N 405.455 -0.446 50 20 HBGD NC(=O)c1nccnc1C(=O)N1CC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1779879358 CJULDWJJCGVQQJ-OAHLLOKOSA-N 402.238 -0.177 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)c3ccc(O)cc3)C2)C1 1780741468 PKOYXUCTKNVGFF-NRFANRHFSA-N 410.235 -0.171 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1783879886 ZBKNGCRFNJFDLH-GUYCJALGSA-N 404.895 -0.557 50 20 HBGD COc1ncccc1C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783936249 JYZJDZDDOKNMGG-HXUWFJFHSA-N 419.482 -0.093 50 20 HBGD C[C@@H](Cn1cccn1)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783936466 OJVOTCSYGPUPRJ-JXFKEZNVSA-N 420.514 -0.278 50 20 HBGD O=C(C1=COCCC1)N1CC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1784002097 MQVQDGDHASELGY-FQEVSTJZSA-N 400.240 -0.496 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCOC3)C2)C1 1785497348 PGMVYZZDZCZLGV-OXQOHEQNSA-N 402.256 -0.764 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncccn3)C[C@@H]21)c1cccc(B(O)O)c1 1786984488 MILKIRVTKCAEBF-XIRDDKMYSA-N 410.239 -0.937 50 20 HBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncc[nH]3)C[C@@H]21 1788611531 JXUUDTJMCDCLNX-CQDKDKBSSA-N 413.438 -0.685 50 20 HBGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)CS(C)(=O)=O)C[C@@H]21 1791249699 OSLCKHPATHLBJW-LXFSFDBISA-N 424.947 -0.099 50 20 HBGD Cc1ncc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)cn1 1791288562 FLZQXOBQQJJQQQ-XIRDDKMYSA-N 418.498 -0.249 50 20 HBGD O=C1CC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](F)Br)C3)CN1 1792584677 XQWGJUWBPBCTFM-QTCIEIIFSA-N 406.252 -0.207 50 20 HBGD Cc1cc(C)n(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)n1 1794123194 NIJNSGQWHONTOU-CWPLJXCYSA-N 420.514 -0.537 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@@H](N)C(N)=O)C2 1799274808 IGDMBLPXYGEFQM-GACTXADBSA-N 409.314 -0.595 50 20 HBGD C[C@]1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)CC1(F)F 1802000933 ZUZAMGVEZGMOOU-ZFHGCVPZSA-N 408.210 -0.385 50 20 HBGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2C[C@H](O)CN2)[nH]n1 1822415448 HFRVZXRYSGZOSX-AEGPPILISA-N 421.502 -0.502 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCOC3=O)CCO2)C1 1831023403 KSYDCRFXTASZTL-DYVFJYSZSA-N 419.862 -0.851 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CCC(=O)N3)CCO2)C1 1835315971 HOBYJTJXCXRBHS-JLZZUVOBSA-N 422.309 -0.042 50 20 HBGD COC(OC)C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837708417 GDPDGDQGFGCPJH-KRWDZBQOSA-N 404.536 -0.087 50 20 HBGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185798 XSMLYGWJAAHPPN-KBXCAEBGSA-N 418.922 -0.167 50 20 HBGD Cc1cc(CC(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)nn1C 1841457760 JZLOWMNSEGUFJA-UHFFFAOYSA-N 411.466 -0.213 50 20 HBGD C[C@H](Cn1cncn1)C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844264578 JOODKHPMPODONS-CYBMUJFWSA-N 412.454 -0.570 50 20 HBGD COc1ccnc(NNC(=O)Cn2cnc3c(c(Br)nn3C)c2=O)n1 727102547 QYHXCWIROYZVHI-UHFFFAOYSA-N 409.204 -0.166 50 20 HBGD Cc1ccc(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c(C)c1OCC(=O)O 728510843 WMEIFUJLZWMKMF-SNVBAGLBSA-N 423.469 -0.986 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cn(-c2ccc(C(F)(F)F)cn2)nn1 758045095 BKIZOWNWUWDAHK-ZETCQYMHSA-N 421.361 -0.620 50 20 HBGD NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1F 763573077 XBTCGXNPGMQZAJ-AWEZNQCLSA-N 402.338 -0.150 50 20 HBGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c2cccnc2c1C 764227628 OSNHVVKFTHZDOS-LLVKDONJSA-N 407.452 -0.125 50 20 HBGD CC[C@@H](C)Oc1cccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 764228051 UGSAYFGBOGGQGC-MNOVXSKESA-N 400.457 -0.113 50 20 HBGD CCNS(=O)(=O)[C@@H]1CCN(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1 770753188 FCBXILVNVGAEKA-CYBMUJFWSA-N 408.444 -0.970 50 20 HBGD CNC(=O)c1ccc(Cl)c(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)c1 784002617 SXNMZYNGOLCQKK-UHFFFAOYSA-N 421.797 -0.192 50 20 HBGD COC(=O)Cc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)cc1 784005108 OUNQLDPDTCNTBC-UHFFFAOYSA-N 418.431 -0.021 50 20 HBGD Cc1ccn(C[C@@](C)(O)C(=O)NNC(=O)c2csc(N3CCOCC3)n2)c(=O)c1 790482948 FVJFAORAQLCPJR-GOSISDBHSA-N 421.479 -0.338 50 20 HBGD COC(=O)c1ccc(NNC(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)nc1 793735356 LHEOWTBBANADEI-KRWDZBQOSA-N 405.411 -0.073 50 20 HBGD COc1ccc(C(=O)N2CCC[C@H]2C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 798929034 KERMQOYCHZSNQC-HIFRSBDPSA-N 424.479 -0.183 50 20 HBGD CNS(=O)(=O)c1cccc(C(C)=NNC(=O)CSc2nnc(O)nc2O)c1 915956970 ACXPPBUYWPMFFL-UHFFFAOYSA-N 412.453 -0.177 50 20 HBGD O=C(CN1CCC(C(=O)N2CCOCC2)CC1)NNC(=O)c1ccc([N+](=O)[O-])cc1 916150374 JXAUTKAPWQNKQB-UHFFFAOYSA-N 419.438 -0.073 50 20 HBGD C[S@](=O)CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1319242896 HGWGUNRYBJJKRO-SANMLTNESA-N 418.497 -0.970 50 20 HBGD Cc1ncncc1C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1779666757 XNPTVDYETOZLRC-FQEVSTJZSA-N 410.239 -0.778 50 20 HBGD N=C(N)NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](F)Br)C1 1780771579 MEWUHXQMTVQFLU-GLXFQSAKSA-N 408.272 -0.326 50 20 HBGD CCOCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1795210749 SAFOWWXWHWYSSV-MADJGSHVSA-N 405.455 -0.254 50 20 HBGD Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c(C)n1 1795735031 KJRPJWPVIUDPKW-XEMDLRDOSA-N 423.278 -0.105 50 20 HBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)Cn1cncn1)CC2 1826085235 KUMCKBPAYOEEPQ-LLVKDONJSA-N 420.499 -0.280 50 20 HBGD O=C(c1nccc2nc[nH]c12)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830728999 ZVZMZXZPHGDRGZ-ACJLOTCBSA-N 423.857 -0.372 50 20 HBGD C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1)N1CCN(C)CC1 1839105665 ZZSGGXDNPZHIOJ-HDMKZQKVSA-N 420.913 -0.387 50 20 HBGD COc1ccc(C(=O)NNS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c(OC)c1 729963052 ACQZYHDPHMVSFM-UHFFFAOYSA-N 420.403 -0.143 50 20 HBGD N=C1NC(=O)[C@@H](CC(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)S1 744619726 WDTIXPJJLUVZLJ-LLVKDONJSA-N 413.481 -0.293 50 20 HBGD CN1C[C@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CC1=O 750652296 GWFQZEFOCFQBJZ-CYBMUJFWSA-N 409.468 -0.354 50 20 HBGD CC(C)n1cc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cn1 756831008 SDHVBHLPHZIJJO-UHFFFAOYSA-N 403.403 -0.936 50 20 HBGD C[C@@H](CC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(F)cc1 765730560 LSEGJQCQGKFSQF-NSHDSACASA-N 416.413 -0.086 50 20 HBGD Cc1ccccc1CC(=O)NNC(=O)CN1CCN(C(=O)C(=O)N2CCCC2)CC1 766854202 SMQNEXVAURELHZ-UHFFFAOYSA-N 415.494 -0.548 50 20 HBGD CCS(=O)(=O)CCOc1ccc(S(=O)(=O)NNC(=O)NCC(=O)OC)cc1 779845066 OEWILAYIRIIEBZ-UHFFFAOYSA-N 423.469 -0.834 50 20 HBGD CN(C)CCc1ccccc1NC(=O)C(=O)NNC(=O)CNC(=O)c1ccco1 784003044 ZXRCSGPRMLQGTN-UHFFFAOYSA-N 401.423 -0.100 50 20 HBGD CSc1cccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)n1 806782590 QBBQLYFOEQVJSK-UHFFFAOYSA-N 418.439 -0.597 50 20 HBGD COc1cccc(S(C)(=O)=O)c1NNC(=O)CNS(=O)(=O)c1cccnc1 811102936 FJJDCQQMFCYADF-UHFFFAOYSA-N 414.465 -0.085 50 20 HBGD COc1ccccc1CC(=O)NNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 919822255 JHBKJIBSHBNGLZ-KBPBESRZSA-N 409.464 -0.579 50 20 HBGD CN1CCN(C(=O)CCNC(=O)NNC(=O)c2nnc(O)c3ccccc23)CC1 1317890838 GMMOCCXQTAYESL-UHFFFAOYSA-N 401.427 -0.557 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CC[C@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1781227996 TUGINHACWTVPKY-CVEARBPZSA-N 406.314 -0.107 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4ncccn4n3)C[C@@H]21)[C@H](O)CCl 1784093498 XTBDDUYQQBNTDG-VIRABCJISA-N 407.858 -0.078 50 20 HBGD CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1786857524 PQUIAKTUCYAZEI-XQLPTFJDSA-N 400.907 -0.152 50 20 HBGD Cc1ccnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)c1 1786983549 XAZSLPHHSITDCJ-QRFRQXIXSA-N 423.278 -0.023 50 20 HBGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCC(=O)N1)C2 1792867705 JVAAAKOIORCHDW-ROEYZRMQSA-N 402.289 -0.114 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccccc1)C2)c1cccc(B(O)O)c1 1795737593 YWGLDUGOYAVIFC-RMFSNUHRSA-N 408.263 -0.188 50 20 HBGD CC[C@H](C)[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797748662 QQURPFVAUZZFLZ-LVSLPLRBSA-N 419.482 -0.705 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@](C)(O)CC(=O)O 1802327896 UPTLSOVIMCSEGQ-LJPSSGMGSA-N 412.487 -0.387 50 20 HBGD CN[C@@H](CC(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1)C(=O)O 1834740781 VBAKOCOJVFHYIB-LSDHHAIUSA-N 418.922 -0.780 50 20 HBGD CCC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CS(C)(=O)=O)CCO2)C1 1835249808 DLNDWRMGVAMREG-CZUORRHYSA-N 410.920 -0.105 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc[nH]1)CCO2 1837789938 QDTGNNWQQOTHIX-LJQANCHMSA-N 407.471 -0.542 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1 1839147921 HEVVLHLLBJXYNS-SJCJKPOMSA-N 419.862 -0.997 50 20 HBGD C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCC(=O)NN(C)C)CCO2 1840186010 WERJEDKSHBUCNL-FQEVSTJZSA-N 408.499 -0.381 50 20 HBGD Cc1ccc(OCC(=O)NNC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)cc1C 17203683 OBMLBECQSGLZOT-UHFFFAOYSA-N 414.422 -0.723 50 20 HBGD COc1cc(OC)cc(C(=O)NNC(=O)CNS(=O)(=O)c2cn(C)c(C)n2)c1 725878834 WFQZZVUVWDBEDV-UHFFFAOYSA-N 411.440 -0.515 50 20 HBGD COc1cc(C(=O)NCC(=O)NNC(=O)CN2CCCC2=O)cc(OC)c1OC 726717535 ZBGJWDVVXZZQHW-UHFFFAOYSA-N 408.411 -0.788 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCC[S@](C)=O)nc2)CC1 745849194 OLKSSUVSUQOGMB-VWLOTQADSA-N 404.518 -0.978 50 20 HBGD O=C(NNC(=O)N1CCOCC1)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 745996424 XARUPMVAPWMWIO-UHFFFAOYSA-N 403.486 -0.561 50 20 HBGD Cn1nnc2cc(C(=O)NNC(=O)c3ccc(Cl)c(S(N)(=O)=O)c3)cnc21 754845230 ILSJKMSJCWPQRC-UHFFFAOYSA-N 409.815 -0.261 50 20 HBGD NC(=O)c1ccc(/C=C/C(=O)N2CCC[C@H]2C(=O)NNC(=O)Cc2cc[nH]n2)cc1 755277214 POEYVKZWYPTYGU-WHWKNOJMSA-N 410.434 -0.097 50 20 HBGD COc1ccc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)cc1-n1cnnn1 776101561 JVOHQOSXYMBSQM-BETUJISGSA-N 403.443 -0.069 50 20 HBGD COCc1noc(CN2CCN(CC(=O)NNC(=O)c3ccc(C#N)cc3)CC2)n1 781957947 RBOUMUUSKWCGLM-UHFFFAOYSA-N 413.438 -0.334 50 20 HBGD CCOC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)c1 784000277 UKRSXUUTIXFUFN-UHFFFAOYSA-N 406.395 -0.663 50 20 HBGD CC(C)CN1C[C@H]2CN(C(=O)NNC(=O)CNC(=O)c3ccco3)CCN2C1=O 787859988 VPFCEFOIYPNGKI-CYBMUJFWSA-N 406.443 -0.172 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)[C@@H]3CCc4nncn4C3)cc2)CC1 815854684 LYUGREUZUPYUFO-CQSZACIVSA-N 419.511 -0.080 50 20 HBGD O=C(CCC(=O)N1CC[C@@H](B(O)O)C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 864232913 DENCOZUCVACRKL-OAHLLOKOSA-N 423.300 -0.625 50 20 HBGD CCCn1nc(C(=O)NNC(=O)CCCN2C(=O)CNC2=O)c2ccccc2c1=O 920240304 PPOONTPZFNZONK-UHFFFAOYSA-N 414.422 -0.101 50 20 HBGD CN(C)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779031238 OWNRMQSYGATRGR-IBGZPJMESA-N 404.471 -0.920 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3ccc(F)nc3)C2)C1 1779438598 YINATXJILJWDJW-HXUWFJFHSA-N 413.214 -0.342 50 20 HBGD C[C@H](CBr)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1781042384 WYJHMXLGCMFWGG-LMOYCYGVSA-N 404.305 -0.430 50 20 HBGD C[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1 1783539534 KVDNQEFZZPCAFL-BZNIZROVSA-N 414.256 -0.475 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCCOC3)C2)C1 1785499403 LFPSQQBBRMJIPW-VBKZILBWSA-N 417.466 -0.445 50 20 HBGD CCS(=O)(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1793538959 HLOMBYWXHDMKJL-MUJYYYPQSA-N 408.285 -0.947 50 20 HBGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCOCC1 1795443009 SWYFTHNCPHDZBV-GUIRCDHDSA-N 404.305 -0.308 50 20 HBGD CNC(=O)CC(=O)N1CCCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1 1805921376 DARFOGBDFUGQOO-UHFFFAOYSA-N 401.272 -0.653 50 20 HBGD Cc1noc(N)c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830722623 GLPXJWULPZRSET-BZNIZROVSA-N 402.835 -0.765 50 20 HBGD NC(=O)CC[C@H](N)C(=O)NC1CCN(C2CCN(C(=O)C(Cl)Cl)CC2)CC1 1834676272 XCIFVCGLKUXLDK-ZDUSSCGKSA-N 422.357 -0.046 50 20 HBGD O=C(c1cc2cn[nH]c2cn1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837192252 JQXDITOGJBESPR-CRAIPNDOSA-N 423.857 -0.372 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)n[nH]3)C2)C1 1840151878 PTJSEISZEFXYFU-ZBEGNZNMSA-N 402.835 -0.561 50 20 HBGD CNC(=O)c1ccc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cn1 728678277 POATXANXWOTWGG-OAHLLOKOSA-N 414.374 -0.415 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O 729275365 OCMZANVZDWYTCH-UWVGGRQHSA-N 418.497 -0.904 50 20 HBGD CC(=O)N[C@@H](C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1)C(C)C 735117105 NYHQNEXKIWKWCR-OAHLLOKOSA-N 412.516 -0.379 50 20 HBGD CCC(=O)N1CC[C@H](C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)C1 746293295 GSQLLBFMCHVWDT-AWEZNQCLSA-N 424.527 -0.281 50 20 HBGD NC(=O)c1cc(S(=O)(=O)NCC(=O)NNC(=O)c2ccc(Cl)cc2F)c[nH]1 747431442 LZCLSINJUDPSOO-UHFFFAOYSA-N 417.806 -0.354 50 20 HBGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2cccc(OCC(=O)N(C)C)c2)n1 763886914 ZYTGJENXUSQWIX-UHFFFAOYSA-N 416.438 -0.247 50 20 HBGD Cc1ccc(CN2CCN(CC(=O)NNC(=S)NCC(=O)N(C)C)CC2)cc1 764518451 DDWQKHGNTFTZQC-UHFFFAOYSA-N 406.556 -0.304 50 20 HBGD COC(=O)C[C@@H]1C(=O)NCCN1CC(=O)NNC(=O)c1cc(Cl)ccc1OC 779033708 NRDUZIVZWPVQSQ-GFCCVEGCSA-N 412.830 -0.527 50 20 HBGD COC(=O)[C@@H]1C[C@H](C(=O)OC)CCN1CC(=O)NNC(=O)Cc1nc(C)cs1 780350115 DTBQACJQBYDJLH-NEPJUHHUSA-N 412.468 -0.432 50 20 HBGD COCCOc1ccccc1NC(=O)C(=O)NNC(=O)CNC(=O)c1ccco1 784005016 WNULJJGOJPFCPP-UHFFFAOYSA-N 404.379 -0.179 50 20 HBGD CCOC(=O)Cc1cccc(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 795314931 QIQNZUIGWYKSSE-JTQLQIEISA-N 407.470 -0.961 50 20 HBGD CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)NNC(=O)COc1ccc(C#N)cc1 800747096 FCELPYUYRNBLHG-UKRRQHHQSA-N 409.468 -0.015 50 20 HBGD CS(=O)(=O)N1CCN(CCNC(=O)NNc2ccc3c(=O)[nH]ccc3c2)CC1 806652700 SYUVJGXTQXZICQ-UHFFFAOYSA-N 408.484 -0.269 50 20 HBGD CC(=O)c1cccc(S(=O)(=O)NCC(=O)NNc2nc(O)c3cnn(C)c3n2)c1 810401631 XDAKUTGAPRCKPA-UHFFFAOYSA-N 419.423 -0.307 50 20 HBGD COc1ccccc1NCC(=O)NNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 914832355 WGWQRTNQDPJDLL-QWHCGFSZSA-N 424.479 -0.710 50 20 HBGD CCOc1ccc(N2C[C@H](C(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)CC2=O)cc1 919884564 HYWGALJDSHMATL-OLZOCXBDSA-N 424.479 -0.044 50 20 HBGD Cn1c(=O)nc(O)c2nc(CCC(=O)NNC(=O)[C@H]3COc4ccccc4O3)[nH]c21 920255393 WIZPAHMEQJTJDA-LLVKDONJSA-N 414.378 -0.718 50 20 HBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)[C@H]1CCOC1 1782691475 YTHBNFAYPGVWBI-YRISNDGFSA-N 416.283 -0.470 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3csnn3)C[C@@H]21)c1ccc(B(O)O)cc1 1786980060 FDFUHUIMKXUYCT-NOLJZWGESA-N 416.268 -0.875 50 20 HBGD O=C(COC(=O)C(F)(F)F)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1788528250 ARORZWMYMXOETM-NAKRPEOUSA-N 416.780 -0.329 50 20 HBGD O=C(Cc1ccncc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1789734914 AIHPAJYQHKJKEV-IHPCNDPISA-N 423.278 -0.403 50 20 HBGD O=C1CN(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CCBr)C3)C(=O)N1 1794084451 COTVTCJTDSLNMD-JGPRNRPPSA-N 401.261 -0.039 50 20 HBGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCS1(=O)=O)C2 1800761940 KDVHVDKOGDPZDW-UJPOAAIJSA-N 423.329 -0.063 50 20 HBGD Cc1nccnc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801011928 VHMHCRPEJCRTCE-ZSBFGKGUSA-N 404.471 -0.639 50 20 HBGD Cn1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cn1 1830737734 IRRRGKNBOOPVKY-PBHICJAKSA-N 400.863 -0.981 50 20 HBGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)N1CCOCC1)CCO2 1837520530 BJVRRHGQPOWLBI-QILLFSRXSA-N 419.906 -0.889 50 20 HBGD O=C(c1cc(O)n[nH]1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839199834 WDXICNUYTVYACH-BXUZGUMPSA-N 421.223 -0.124 50 20 HBGD C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1840170446 GULQJQLMIDOHES-HXUWFJFHSA-N 408.499 -0.381 50 20 HBGD C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1840179424 MIXSFRIJTJBXBZ-NUEKZKHPSA-N 410.826 -0.407 50 20 HBGD COCCn1nccc1C(=O)N1CC2(CCCN2C(=O)CCC(=O)NN(C)C)C1 1846384747 CXCGDGFQFSCCJN-UHFFFAOYSA-N 406.487 -0.281 50 20 HBGD Cc1nc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cccc(B(O)O)c2)c(=O)[nH]c1C 1848321904 SARFXORPIBFYHB-HOTGVXAUSA-N 410.239 -0.804 50 20 HBGD Cn1c(=O)[nH]c(=O)c2[nH]c(CCC(=O)NNC(=O)c3cc(-c4ccccc4)n[nH]3)nc21 109412575 TWWNHUSVXIPHED-UHFFFAOYSA-N 422.405 -0.266 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)Cn3cc([N+](=O)[O-])cn3)cc2)CC1 728213664 FOEONTONBJMJQP-UHFFFAOYSA-N 423.455 -0.129 50 20 HBGD C[C@H]1CN(CCC(=O)NNC(=O)CCn2nnc3ccccc3c2=O)C[C@H](C)O1 732261033 AFAMNAOQXZUMLM-KBPBESRZSA-N 402.455 -0.172 50 20 HBGD COc1ccc(C(=O)NNC(=O)CN2CCN([C@H]3CCC[C@H]3O)CC2)cc1OC 734486474 NLYUCPAOFRNICR-JKSUJKDBSA-N 406.483 -0.004 50 20 HBGD C[C@@H](NC(=S)NNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C1CC1 751621344 TXEPHJJIFSOFSS-MWLCHTKSSA-N 401.514 -0.554 50 20 HBGD C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OCC(=O)NNC(=O)c1cccs1 756747545 IBIRTHQNUWAFTC-SECBINFHSA-N 415.453 -0.847 50 20 HBGD C[C@H]1CN(C(=O)Cn2cc(NC(=O)NNC(=O)Cc3cc[nH]n3)cn2)C[C@H](C)O1 756839231 QGQRLESWHFKDGB-RYUDHWBXSA-N 404.431 -0.363 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 758041078 WAXNKAZGKMQQKS-NSHDSACASA-N 416.481 -0.537 50 20 HBGD Cc1nc(S(=O)(=O)NCC(=O)NNC(=O)CSc2ccccc2O)cn1C 764051465 XOWHZBSOQPFTNC-UHFFFAOYSA-N 413.481 -0.348 50 20 HBGD CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 764086232 UPVWYQSGBVVGEK-AWEZNQCLSA-N 419.482 -0.119 50 20 HBGD CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNC(=O)c1ccoc1)CC2 764159813 HPLVOJYWWITJDU-UHFFFAOYSA-N 406.420 -0.072 50 20 HBGD CN(C)c1ncncc1NC(=O)C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C 764204656 RFIAWXKDFRYKSC-UHFFFAOYSA-N 409.447 -0.067 50 20 HBGD CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNc1nccnc1OC)CC2 766260859 LNQLYNHXPMJKGO-UHFFFAOYSA-N 406.424 -0.574 50 20 HBGD Cc1cc(OCC(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)no1 766643594 QXQJNDWITUPIHJ-UHFFFAOYSA-N 401.423 -0.033 50 20 HBGD Cn1ncc2c(O)nc(NNC(=O)[C@H]3CC=CC[C@@H]3C(=O)N3CCOCC3)nc21 784411120 RQYNRQTWKNUUDI-RYUDHWBXSA-N 401.427 -0.047 50 20 HBGD Cc1cc(S(N)(=O)=O)cc(NC(=O)NNC(=O)[C@H]2CCc3nncn3C2)c1C 814641479 HBAMNAPWLCXLHU-NSHDSACASA-N 407.456 -0.042 50 20 HBGD C#CCOc1ccc(F)cc1NC(=O)C(=O)NNC(=O)[C@@H]1CCc2nncn2C1 815691853 CWIKTCKYKNDGTE-LLVKDONJSA-N 400.370 -0.222 50 20 HBGD COC(=O)Cn1cc(S(=O)(=O)NNC(=O)c2cncn2-c2ccccc2)cn1 1252237384 KPZUPAPXUDUKFS-UHFFFAOYSA-N 404.408 -0.135 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C(C)(C)Oc2ccccc2)n(C)c1=O 1319401793 UZWJGJMVSGPRER-UHFFFAOYSA-N 414.422 -0.561 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnn3c1CCC3)CCO2 1783937515 SWOSRWQBQLUUKJ-FQEVSTJZSA-N 418.498 -0.354 50 20 HBGD CC[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788607864 PTBUAGTZHLGOIJ-DDWPSWQVSA-N 405.455 -0.951 50 20 HBGD CNC(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2 1793500153 AOQCLYKAFKFDLM-ONMDDFKGSA-N 402.455 -0.105 50 20 HBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCC(=O)N1 1795701059 HANAXVAYAPPVJJ-OXIQGZBJSA-N 400.439 -0.785 50 20 HBGD Cc1ccc(O)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c1 1795739918 QNIOAYIRNLPPTF-CWPLJXCYSA-N 424.262 -0.103 50 20 HBGD CC(C)(C)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797750905 XDZHYJSZQHGJBJ-FVCICTRLSA-N 418.498 -0.724 50 20 HBGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H](O)CN1 1799137012 AHUONCPDKQNZFH-NKTODWNOSA-N 404.305 -0.670 50 20 HBGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1800762904 JZHXFRQVMWAJLW-OHTBPHCPSA-N 419.320 -0.268 50 20 HBGD CS(=O)(=O)CC(=O)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@@H]1c1cccnc1 1806763371 COBVPGGESPUCOZ-GZBFAFLISA-N 403.888 -0.268 50 20 HBGD O=C(CCc1cncnc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830724757 YVDOFBMXNSANJI-YJBOKZPZSA-N 412.874 -0.535 50 20 HBGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H](NC)C(=O)O)C2)C1 1831647772 YMVAGBOQZBBTKD-DEYYWGMASA-N 419.906 -0.087 50 20 HBGD O=C([C@@H](O)c1ccccc1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1835285072 KXHVGVXUPULUMK-BXWFABGCSA-N 412.870 -0.224 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CC(N)=O)C2)C1 1840030227 FZHHEYRFCPEDAA-MQIPJXDCSA-N 420.304 -0.262 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)CCc2ccc(O)nn2)C1 1845756021 RHYDHYOWEKFHCF-UHFFFAOYSA-N 404.471 -0.309 50 20 HBGD COC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2ccc(B(O)O)cc2)C1 1847555272 MGCWCLVJVNBCEW-MVJTYMMSSA-N 414.267 -0.229 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CCC(=O)N1CCc2sccc2C1 729277302 YSYZCHWDQPLBLN-SNVBAGLBSA-N 402.498 -0.502 50 20 HBGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)N[C@H]1CCN(CCN2CCOCC2)C1 734684917 BPTLGFGICOKINK-MAUKXSAKSA-N 419.482 -0.437 50 20 HBGD O=C(COc1ccccc1O)NNC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 734686434 NLQYQBHQXLJTOJ-OAHLLOKOSA-N 407.471 -0.492 50 20 HBGD O=C(NN=Cc1c(N2CCOCC2)nc2ccccn12)N[C@H]1CCS(=O)(=O)C1 741809727 IMPHHBCNKMICCE-ZDUSSCGKSA-N 406.468 -0.009 50 20 HBGD CC(C)NC(=O)C(=O)NNC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1 744446689 JPFGGUMOEKVVHB-UHFFFAOYSA-N 414.459 -0.102 50 20 HBGD Cc1noc(C)c1S(=O)(=O)NC1(C(=O)NNC(=O)N2CCOCC2)CCCC1 746179217 SVLHPSKEEKZEBD-UHFFFAOYSA-N 415.472 -0.044 50 20 HBGD CNS(=O)(=O)c1csc(C(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)c1 748839089 ZUOOHJVTMZJWJU-GHMZBOCLSA-N 404.514 -0.084 50 20 HBGD CN(C)c1cccc(C(=O)NNC(=O)NCCNS(=O)(=O)Cc2ccon2)c1 750288778 KTFBZAWVEFRUKZ-UHFFFAOYSA-N 410.456 -0.196 50 20 HBGD CCCCS(=O)(=O)N1CCC[C@H]1C(=O)NNC(=O)CNC(=O)c1ccco1 751202500 FHYPEXCXGSXHDD-LBPRGKRZSA-N 400.457 -0.249 50 20 HBGD CC(C)(C)OC(=O)NCCC(=O)NNC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 760431438 DNFDVDNCHBXMQI-DMTCVQMQSA-N 410.427 -0.789 50 20 HBGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2cnn(CC(N)=O)c2)cc1 763864756 HAUNNFSHEVVPBG-NSHDSACASA-N 418.410 -0.680 50 20 HBGD CS(=O)(=O)c1cccc(Oc2ccc(NC(=O)C(=O)NNC(=O)CO)cc2)c1 764421001 IMEMFKFXJWONID-UHFFFAOYSA-N 407.404 -0.039 50 20 HBGD COc1cc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)ccc1[N+](=O)[O-] 770597600 YGSMEJAHOBSSRV-UHFFFAOYSA-N 408.396 -0.362 50 20 HBGD CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NNC(=O)CO)c1 776188731 KJBXMXGRHRPFGP-UHFFFAOYSA-N 414.484 -0.693 50 20 HBGD CN1C(=O)c2ccc(NC(=O)C(=O)NNC(=O)Cc3cn4ccccc4n3)cc2C1=O 785068067 SOJDDLHLJZUXLS-UHFFFAOYSA-N 420.385 -0.111 50 20 HBGD COC(=O)c1cc(Cl)cc(S(=O)(=O)NNC(=O)C(=O)NC(C)C)c1OC 790046348 ZPJUXZFDRAGQTP-UHFFFAOYSA-N 407.832 -0.031 50 20 HBGD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNc1nc2ccccn2n1 791239087 AZULPSONAXEFRH-UHFFFAOYSA-N 405.440 -0.154 50 20 HBGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)Cn1nnc2ccccc2c1=O 794070067 OKUHEYHWOBZEDO-UHFFFAOYSA-N 410.390 -0.135 50 20 HBGD Cn1c(=O)c2c(ncn2CCC(=O)NNC(=O)Nc2cc(F)cc(F)c2)n(C)c1=O 801999645 FNJOEHWDGVFYRA-UHFFFAOYSA-N 421.364 -0.045 50 20 HBGD Cc1c(C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)nnn1-c1ccn(C)n1 814411242 KJCJZZYCBZAVPJ-UHFFFAOYSA-N 407.435 -0.222 50 20 HBGD Cn1nc(C(=O)NNC(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c2ccccc2c1=O 933556191 UGQYDESCOGXZDO-UHFFFAOYSA-N 406.358 -0.462 50 20 HBGD NS(=O)(=O)CCN1CCN(CC(=O)NNC(=O)c2ccccc2Cl)CC1 1116346152 ODZBTABJJWQEKQ-UHFFFAOYSA-N 403.892 -0.993 50 20 HBGD COC(=O)C(=O)NNC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 1330775448 XILDOQAJNUZKDY-UHFFFAOYSA-N 402.454 -0.802 50 20 HBGD COCCS(=O)(=O)c1ccc(CNC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)cc1 1339041951 YXLYWRBRBAVCRQ-INIZCTEOSA-N 419.525 -0.012 50 20 HBGD CCc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)nn1C 1783934909 LDKWAYRJXKZBCQ-FQEVSTJZSA-N 420.514 -0.201 50 20 HBGD C[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1)n1cncn1 1783938343 WWYNZSLFYFOBAR-KSSFIOAISA-N 407.475 -0.958 50 20 HBGD O=C(O)c1cnncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1788885797 FWOSAIQKKPCGLL-WTDIUWLJSA-N 412.830 -0.632 50 20 HBGD N=C(N)SCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1795949344 QTKJARGXCAQCFZ-JGPRNRPPSA-N 405.484 -0.436 50 20 HBGD COC[C@@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CO[Si](C)(C)C)C2 1797967663 NFHWOHPPGLBLJR-JYYAWHABSA-N 415.563 -0.421 50 20 HBGD C[Si](C)(C)OCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(=O)n3[nH]nnc3n1)C2 1798625618 FQPZNIQPUCLSHY-ZSBIGDGJSA-N 419.518 -0.084 50 20 HBGD CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@](C)(Cl)CCl)C(=O)C(=O)O 1799279976 ZTELQWNXJCFAOO-FXZYXXQUSA-N 424.281 -0.645 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@H](CNC(=O)[C@H]2C[C@@H](O)C2)[C@@H]1c1cccnc1 1809504164 DWNLKDMLCWHABN-JYBIWHBTSA-N 423.278 -0.148 50 20 HBGD O=C(c1ccnc(Cl)n1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830730506 ARUXJLPAJOAIJE-MLGOLLRUSA-N 419.265 -0.200 50 20 HBGD O=C(C1CCC(CO)CC1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1832514072 JMHPCYQWUBAWTB-FCJNSDPXSA-N 418.918 -0.159 50 20 HBGD O=C1CC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)[C@@H](F)Br)CCO3)C2)N1 1839199289 LWKDVFZZFTXQIZ-HCKVZZMMSA-N 422.251 -0.588 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@@H]3C3CC3)C2)C1 1840182687 PWRKDLZXTRNEIJ-CBGDNZLLSA-N 422.526 -0.138 50 20 HBGD C[C@](O)(C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1)C(F)(F)F 1843013246 YJQBDHLCNDWBTB-HNNXBMFYSA-N 400.162 -0.503 50 20 HBGD O=C1CC(C(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)=NN1 731865944 XOWAWVJRLMLDNS-UHFFFAOYSA-N 415.431 -0.198 50 20 HBGD CC(=O)N[C@@H](CC(=O)NNC(=O)[C@H](C)Oc1cccc(Br)c1)C(N)=O 740748884 CACYIKFGCQZXKY-UFBFGSQYSA-N 415.244 -0.256 50 20 HBGD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 746103491 SQBQRXJVQKBVFE-UWVGGRQHSA-N 402.433 -0.591 50 20 HBGD Cc1cc(C(=O)NNC(=O)Cc2cn3ccccc3n2)nc2c1c(=O)n(C)c(=O)n2C 746556298 RMHYVYSGENIHNL-UHFFFAOYSA-N 421.417 -0.408 50 20 HBGD O=C(NNC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O)C(=O)N1CCCC1 748247199 LRJLNVPAPAANMH-CYBMUJFWSA-N 414.418 -0.155 50 20 HBGD C[C@H](NC(=S)NNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)C1CC1 751621345 TXEPHJJIFSOFSS-ONGXEEELSA-N 401.514 -0.554 50 20 HBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1ccc2nnc(O)n2c1 763017528 BYWVGQIHZJVQAR-UHFFFAOYSA-N 423.433 -0.346 50 20 HBGD COc1cc(N2CCN(C(=O)NNC(=O)CNC(=O)c3ccco3)CC2)ncn1 763649217 IDVYCTYYWGESJT-UHFFFAOYSA-N 403.399 -0.629 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(N2CCCC2)c(F)c1 764231140 MURSKTRCIHRJKW-SNVBAGLBSA-N 415.447 -0.551 50 20 HBGD CCN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NNC(=O)COC)cc2)CC1 764299930 PVHBHTDMHRMTTC-UHFFFAOYSA-N 405.455 -0.875 50 20 HBGD CC(C)n1ncc2cc(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)ccc21 768498599 ACXFEHOMEHLJPQ-SNVBAGLBSA-N 403.486 -0.136 50 20 HBGD Cn1c(=O)c2c(ncn2CCC(=O)NNc2cc(C#N)cc(Cl)n2)n(C)c1=O 768701267 CRVGAFNNVDWNEC-UHFFFAOYSA-N 402.802 -0.113 50 20 HBGD COc1ccc(N2CCN(C(=O)/C=C/C(=O)NNC(=O)N3CCOCC3)CC2)cc1 778253499 PHVCMXXTUFFXBU-VOTSOKGWSA-N 417.466 -0.027 50 20 HBGD CCOC(=O)c1cnc(NNC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)nc1C 778425466 AAYGZCWKLMZEBY-OMRNGCIESA-N 417.422 -0.044 50 20 HBGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1cccc(-n2cnnn2)c1 784004490 OQXKAHCQDCINTG-UHFFFAOYSA-N 414.407 -0.760 50 20 HBGD CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NNC(=O)CNC(=O)OCc1ccccc1 794069504 IGQVETUXLAMEDP-HNNXBMFYSA-N 419.438 -0.813 50 20 HBGD CCOC(=O)Cc1cccc(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 795314932 QIQNZUIGWYKSSE-SNVBAGLBSA-N 407.470 -0.961 50 20 HBGD CCOC(=O)C1(S(C)(=O)=O)CCN(CC(=O)NNC(=O)c2cccs2)CC1 796563683 IMJHJZYSVJHDAG-UHFFFAOYSA-N 417.509 -0.049 50 20 HBGD COC(=O)Cn1ncc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1C 796992452 SBIWCPRTIWDYQZ-AWEZNQCLSA-N 417.378 -0.710 50 20 HBGD O=C(NCCNS(=O)(=O)c1ccc(F)cc1F)NNC(=O)C(=O)N1CCCC1 799673872 RCUZXMDTJSFUBR-UHFFFAOYSA-N 419.410 -0.804 50 20 HBGD C[C@H](CC#N)N(C)S(=O)(=O)N1CCN(S(=O)(=O)CBr)CC1 800931548 SUPZHTIVLOVJER-SNVBAGLBSA-N 403.324 -0.235 50 20 HBGD CCS(=O)(=O)c1cccc(CC(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1 1254889313 YSRUOHBGDXOLRT-LBPRGKRZSA-N 403.482 -0.460 50 20 HBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1sccc1S(=O)(=O)C(F)F 1318330032 YUJQTJBJHGWKLM-ZCFIWIBFSA-N 402.422 -0.060 50 20 HBGD O=C(NC[C@H]1CCCCS1(=O)=O)NNC(=O)C1CCN(c2ncccn2)CC1 1337640860 RYPBWZFHODVINC-CQSZACIVSA-N 410.500 -0.009 50 20 HBGD Cn1cnc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)c1 1779030841 IYISBIZHSWJPKC-IBGZPJMESA-N 413.438 -0.824 50 20 HBGD C[C@]1(C(=O)N2CC[C@@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)CCCN1 1781144027 ZLSOTTBKWIIVBF-WOJBJXKFSA-N 416.482 -0.729 50 20 HBGD C[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1)n1ccnn1 1783936151 DNYBVGLYCUYGPV-KSSFIOAISA-N 407.475 -0.958 50 20 HBGD CN1N=C(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]3C2)CCC1=O 1784085051 BTVKUMNDUHMYMJ-IMIFBBOLSA-N 400.863 -0.826 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCCO3)C[C@@H]21)c1cccc(B(O)O)c1 1786981896 FHGZNQPDTPJCNI-WNHJNPCNSA-N 416.283 -0.471 50 20 HBGD COC[C@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(Cl)Cl)C[C@@H]21 1788776990 QSMRSWNPZKNBBD-CYDGBPFRSA-N 410.298 -0.079 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CCC(O)CC3)[C@H]2C1 1791410677 VKRNXEWWFDSFCD-YKFHYGQGSA-N 424.542 -0.110 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2)c1cc(O)nc(O)n1 1796355165 XUGUBMRNWPARHB-YFKFIEJBSA-N 415.244 -0.124 50 20 HBGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](N)Cc1cccnc1)C2 1802332402 BIMMNLUTEWYJRP-MHORFTMASA-N 416.526 -0.037 50 20 HBGD O=C1CN(CC(=O)N2CC[C@H](CNC(=O)[C@H](O)CCl)[C@H]2c2cccnc2)C(=O)N1 1803135671 FKWCYLVSEGJVJB-XJKCOSOUSA-N 423.857 -0.761 50 20 HBGD O=C(O)C#CC(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815348413 MSQBBVSNWWTWGG-GFCCVEGCSA-N 413.220 -0.863 50 20 HBGD COc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)n1 1830726449 YQYPHMLWLHQNPA-KSSFIOAISA-N 413.858 -0.240 50 20 HBGD CCS(=O)(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1831337461 AOEBVVAXQBZTFT-GXTWGEPZSA-N 400.856 -0.588 50 20 HBGD O=C1CC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)C(Cl)Cl)CCO3)C2)CN1 1840187023 HWQUHENEHRDAOS-MEDUHNTESA-N 408.282 -0.227 50 20 HBGD NS(=O)(=O)N1CCC(C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)CC1 726863617 ZABGXRDZYQZONR-UHFFFAOYSA-N 417.513 -0.514 50 20 HBGD O=C(COC(=O)Cn1ccc([N+](=O)[O-])n1)NNC(=O)[C@H]1COc2ccccc2O1 728328700 BKXACOBWDWWYLM-GFCCVEGCSA-N 405.323 -0.678 50 20 HBGD C[C@@H](CS(C)(=O)=O)C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 746822203 OFSBHAWSPJTKAH-LBPRGKRZSA-N 417.509 -0.087 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)o1 758042810 BBFAKFSHLVQLEF-QMMMGPOBSA-N 410.474 -0.945 50 20 HBGD CSCC[C@@H](NC(=O)c1ccco1)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 758047554 YAZAAJXUOHMOIC-VHSXEESVSA-N 406.486 -0.784 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCCc3ccnn3C)nc2)CC1 763162962 XROKSTXKPSNPQN-UHFFFAOYSA-N 422.515 -0.380 50 20 HBGD COCCCn1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)n1 763679425 MSXZYIBVIAVYIS-UHFFFAOYSA-N 400.395 -0.044 50 20 HBGD CC(C)(C)OC(=O)N1CCC(NC(=O)NNS(=O)(=O)N2CCOCC2)CC1 765089587 IXGIAZPEQGQDTF-UHFFFAOYSA-N 407.493 -0.233 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCN(C(=O)OCc2ccccc2)C1 770424626 RTYQUNUHQNOBIE-JSGCOSHPSA-N 412.468 -0.270 50 20 HBGD CN1CC(=O)N(CCCC(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)C1=O 772892084 QJKYZILNIKYJMK-UHFFFAOYSA-N 409.830 -0.222 50 20 HBGD CN1CCN(Cc2cccc(NC(=O)C(=O)NN[C@]3(C)CCS(=O)(=O)C3)c2)CC1 783427812 QHHWQSVJBRFAKN-LJQANCHMSA-N 423.539 -0.430 50 20 HBGD Cc1cccc(=O)n1C[C@](C)(O)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 792142153 QTISIQOAISQRCP-FQEVSTJZSA-N 414.466 -0.238 50 20 HBGD CS(=O)(=O)CCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 915129080 VFXAXXGYAYEFPG-UHFFFAOYSA-N 403.482 -0.333 50 20 HBGD COc1ccc(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)nc1Br 1325134822 WRSLAZAIAFADOH-ZETCQYMHSA-N 407.246 -0.016 50 20 HBGD CN[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](Cl)COC)C[C@@H]21)C(=O)O 1786899481 IIRXLFZXSJBZSY-QNSTZXKLSA-N 405.879 -0.717 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)c1cc(O)nc(O)n1 1787437161 XEPVIFFEHQWBMX-XPXLGCRWSA-N 400.819 -0.919 50 20 HBGD O=C(Cn1cnnn1)NC1(c2ccc(NC(=O)c3cccc(B(O)O)c3)cc2)CCC1 1788143608 HAZWHVNRLYJKAH-UHFFFAOYSA-N 420.238 -0.199 50 20 HBGD Cc1ncncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1788969754 IYDASBIHFCVOMW-SNRMKQJTSA-N 424.266 -0.628 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccccc1O 1794526715 QYZGVMPSQOLFKC-HBCWATKFSA-N 404.467 -0.032 50 20 HBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN)C2 1798522139 HFPDGENFVQYQQO-DPIQGUFMSA-N 406.395 -0.318 50 20 HBGD O=C(CN1C(=O)C=CC1=O)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@@H]1c1cccnc1 1813174192 BBGPSFVXSCRPTN-PMUMKWKESA-N 420.853 -0.388 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCC(=O)NC1)CCO2 1829959858 JXIJZENKYCUOCR-GLJUWKHASA-N 417.890 -0.777 50 20 HBGD COc1nn(C)cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830725463 OOQFBBOYYFDIQC-SUMWQHHRSA-N 416.862 -0.902 50 20 HBGD O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839202331 AQCMWAFRHDZYIE-JSGCOSHPSA-N 407.192 -0.779 50 20 HBGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1839865448 BKOLOMXDUCMACE-MLGOLLRUSA-N 420.304 -0.118 50 20 HBGD CC(=O)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1839885652 JHIGEPQGXCWIDF-DZGCQCFKSA-N 424.267 -0.341 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn(C)n3)C2)C1 1840151236 YGOYTKQYNZNDQL-LRDDRELGSA-N 401.851 -0.861 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCOC3=O)C2)C1 1840151333 YPBGHFBRSRTYGC-GUYCJALGSA-N 419.862 -0.851 50 20 HBGD O=C(CNC(=O)c1ccc(Br)cc1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 732307991 PMKLJBCWOFTTCZ-SNVBAGLBSA-N 418.269 -0.239 50 20 HBGD O=C(CN1CCN(S(=O)(=O)c2ccc3nc(O)[nH]c3c2)CC1)NNC(=O)C1CC1 733193517 SYXFZFFTRSRKNF-UHFFFAOYSA-N 422.467 -0.868 50 20 HBGD COc1ccccc1OCC(=O)NNC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 742471210 AWCXUEFHMUVTMN-BQGCOEIASA-N 403.391 -0.616 50 20 HBGD COc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)N2CCOCC2)cc1OC 745992707 IQRYAHBZTXBORC-UHFFFAOYSA-N 416.456 -0.555 50 20 HBGD Cc1ccc(C(=O)NNC(=O)COC(=O)c2cnc3c(c2)c(O)nc(=O)n3C)cc1 746910817 JMVXJXTYRIDQPR-UHFFFAOYSA-N 411.374 -0.039 50 20 HBGD COC(=O)c1ccc(OC)c(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1 747608742 LPNZUPWJWLBEOP-JTQLQIEISA-N 421.453 -0.839 50 20 HBGD COc1cc(Cl)cc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1O 758879730 QPNBUXNSZYRZPU-UHFFFAOYSA-N 420.813 -0.048 50 20 HBGD CCN1CCN(c2ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)OCCOC)cc2)CC1 764401042 UEBSFTJQPSCBMJ-OAHLLOKOSA-N 421.498 -0.034 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2cc3ccccc3nc2O)n(C)c1=O 764813332 YZTFKOHXRDVYIQ-UHFFFAOYSA-N 407.390 -0.162 50 20 HBGD C[C@H]1CCCC[C@H]1OCC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 766646212 XWGARHXEWZPPFY-NWDGAFQWSA-N 406.443 -0.824 50 20 HBGD Cn1cc(S(=O)(=O)NCC(=O)NNC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)cn1 768277781 VUNLIHKIWTYTKY-UHFFFAOYSA-N 421.414 -0.311 50 20 HBGD CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)NNC(=O)[C@@H]2COCCO2)nc1 776062702 JGFKDWNMZUPZEM-NSHDSACASA-N 401.445 -0.274 50 20 HBGD Cc1nn(C)c2ncc(NC(=O)C(=O)NNC(=O)CNC(=O)c3cccs3)cc12 784005000 NVEPZUJHAAEUDU-UHFFFAOYSA-N 415.435 -0.146 50 20 HBGD Cn1nc(SCC(=O)NN=CC[C@H]2CCCCC23OCCO3)c(=O)n(C)c1=O 788709100 GDSBVJMMEFXJPF-GFCCVEGCSA-N 411.484 -0.004 50 20 HBGD CC(C)(C)NS(=O)(=O)CC(=O)NNC(=O)CNC(=O)OCc1ccccc1 794063842 MOLSKENIUPFAGH-UHFFFAOYSA-N 400.457 -0.222 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)cc1C 920240532 WQPYRVLKWYKLEF-AWEZNQCLSA-N 411.484 -0.004 50 20 HBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 920298989 XMHJHLSQZDONII-LLVKDONJSA-N 420.513 -0.584 50 20 HBGD O=C(CN1CCC(=O)NC1=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 1319214094 HJARJILXUSHKLH-UHFFFAOYSA-N 411.440 -0.908 50 20 HBGD C[C@](Cl)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)CN3)C[C@@H]21 1789871646 BXHOUURFFGMKIL-NCBDHNCWSA-N 408.326 -0.075 50 20 HBGD O=C(CC(F)(F)F)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1795405371 UNVSHUNXPOHQKK-JJLQDPRZSA-N 400.162 -0.478 50 20 HBGD C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1802112677 ULJGYDKOKDCVCQ-FMPTWSOUSA-N 423.897 -0.006 50 20 HBGD NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807368049 WYYKNBDMOZPSOE-OXJNMPFZSA-N 424.266 -0.654 50 20 HBGD Cc1nc(N)sc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830723579 QADMKEZCOCNDBM-MEDUHNTESA-N 418.903 -0.297 50 20 HBGD C[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1)CCO2 1835128487 WOVNCTMTTNCWQR-MKBNYLNASA-N 418.288 -0.495 50 20 HBGD C[C@@H]1C[C@@]1(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839086715 FMLPDZRQTDODCE-LPTQZCDUSA-N 416.283 -0.518 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)[C@H]1CCC(=O)NC1)C2 1844263199 DOIFLZKIFZDKNJ-LBPRGKRZSA-N 400.439 -0.972 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)C#CC2(O)CCCCC2)C1 1844282326 CHWIZTFSHHDAAH-UHFFFAOYSA-N 410.279 -0.118 50 20 HBGD O=C([C@H](O)CCl)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCc2nc(O)nc(O)c2C1 1847557252 YOYZMDXEAGBIAD-IGJVIKARSA-N 410.858 -0.206 50 20 HBGD CCN(CC)C(=O)c1ccc(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1 728510970 ZNZUIXOUKWAZKP-LLVKDONJSA-N 420.513 -0.584 50 20 HBGD NC(=O)c1ncn2c(C(=O)NNC(=O)[C@H]3COCCO3)cc(-c3ccco3)nc12 744647660 VYACMLYKVSJGGZ-GFCCVEGCSA-N 400.351 -0.735 50 20 HBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2CN3CCCN2CC3)c1 763378530 HOTAXPRPZISOKX-QGZVFWFLSA-N 423.539 -0.132 50 20 HBGD C[C@H]1CCC[C@H](OCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1 766641346 XMZYDQPKBPRVET-RYUDHWBXSA-N 406.443 -0.824 50 20 HBGD COCCC1(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CCCC1 766643033 JGZBYWSCCMSLMR-UHFFFAOYSA-N 406.443 -0.822 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc(C3(C#N)CC3)cc2)n(C)c1=O 776980031 MVUYGPPOFGJDNI-UHFFFAOYSA-N 421.417 -0.550 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1ccc2c(c1)OCCCO2 784001868 FMIHYUDERFAKAB-UHFFFAOYSA-N 402.363 -0.043 50 20 HBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)[C@H]2CCc3nncn3C2)ccc1OC 793449344 ZWGSKIJPROGHED-JTQLQIEISA-N 409.424 -0.355 50 20 HBGD CNS(=O)(=O)N1CCC(C(=O)NNC(=O)c2cc(OC)cc(OC)c2)CC1 794765965 DJRDTEQUURTSQP-UHFFFAOYSA-N 400.457 -0.359 50 20 HBGD CNS(=O)(=O)c1ccc(C(=O)NNc2ccccc2S(=O)(=O)N(C)C)cn1 795169739 VUIDULHVYRINRJ-UHFFFAOYSA-N 413.481 -0.003 50 20 HBGD NS(=O)(=O)c1cc(C(=O)NNS(=O)(=O)C[C@H]2CCCOC2)ccc1Cl 795282091 AOTRNIKGLWIBNA-VIFPVBQESA-N 411.889 -0.022 50 20 HBGD CCOC(=O)COc1ccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1 800559898 KEUNOMQUYLDXCR-SNVBAGLBSA-N 402.429 -0.281 50 20 HBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1cc([N+](=O)[O-])n[nH]1 802762510 IJZWGPVMHITGLD-UHFFFAOYSA-N 401.383 -0.463 50 20 HBGD CC1=CC(NC(=O)c2ccco2)=S=C1C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 811318015 SHRVQCSNTDTCPG-JTQLQIEISA-N 411.461 -0.413 50 20 HBGD COC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)COc1ccccc1C#N 815565905 DKIGPPWSXWZHAP-UHFFFAOYSA-N 400.351 -0.757 50 20 HBGD O=C1NC(=O)[C@@H](CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C(Cl)Cl)C2)N1 1782215092 XLSBYZIPTTTZTH-XIZWVBILSA-N 421.281 -0.098 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1783981773 CREIEDQHDCDJER-IINYFYTJSA-N 415.796 -0.251 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc[nH]1)C2)c1ccc(B(O)O)cc1 1795734758 OTJYKLZVZCXJDK-CWPLJXCYSA-N 411.267 -0.470 50 20 HBGD CCc1ccnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c1 1795738779 FBPDKAARLOBXOJ-XEMDLRDOSA-N 423.278 -0.159 50 20 HBGD C[Si](C)(C)OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)C=CC1=O)C2 1797952619 BFVMTMRZIBAVMN-HBCWATKFSA-N 423.542 -0.257 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(F)(F)C(F)F)C2 1801010653 OHCRZYGCOVHTIW-DDFAGTSDSA-N 412.384 -0.151 50 20 HBGD Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)on1 1830726976 YPORLLMLGFZPMP-YOEHRIQHSA-N 401.847 -0.418 50 20 HBGD CN1N=C(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Cl)C3)C2)CCC1=O 1832374905 COFSIPJLTDFDSU-CJNGLKHVSA-N 404.826 -0.415 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccn(C)n3)CCO2)C1 1834250080 VHZARKCVALXEKB-SUMWQHHRSA-N 400.863 -0.256 50 20 HBGD COCCOCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](Cl)COC)CCO2 1840151406 AIVMJTOFDCBXKN-YOEHRIQHSA-N 408.879 -0.640 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@]3(C)CCCN3)C2)C1 1840153921 FSWZXQSWZMMWGA-BMGDILEWSA-N 403.907 -0.161 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2cnn3ccncc23)C1 1843782883 VXEIIOZLVQNRNF-UHFFFAOYSA-N 420.433 -0.141 50 20 HBGD CN(C)N(C(=O)CCNS(=O)(=O)c1ccccc1F)[C@@H]1CCS(=O)(=O)C1 728175527 WHZAEGGUBRQAEA-GFCCVEGCSA-N 407.489 -0.014 50 20 HBGD NC(=O)NC1CCC(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)CC1 728333793 AMXVPNIJWWUWMC-KOHJWAIASA-N 420.422 -0.256 50 20 HBGD NS(=O)(=O)c1ccc(OCC(=O)OCC(=O)NNC(=O)c2cccs2)cc1 750170596 AYGWXRMCRWHSMS-UHFFFAOYSA-N 413.433 -0.221 50 20 HBGD NC(=O)[C@H]1CCCN1C1CCN(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 767459084 XBVIVEKALITJSV-MRXNPFEDSA-N 418.454 -0.230 50 20 HBGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1nc(N)nc(N2CCOCC2)n1 816828761 OBIXIFPRSVFZOG-SNVBAGLBSA-N 405.390 -0.342 50 20 HBGD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NNC(=O)[C@@H]1CCc2nncn2C1 816881644 LVERTFSESBGGAV-GHMZBOCLSA-N 405.419 -0.171 50 20 HBGD CC[C@H](NC(N)=O)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781331137 LNICPGMJBYEILO-RBZYPMLTSA-N 409.256 -0.046 50 20 HBGD C/C(=C/C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC(=O)NN(C)C)C2)C(=O)O 1783161933 KWJSKRXZRATUIL-MZUBWRHMSA-N 424.498 -0.096 50 20 HBGD C[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCO2)C1 1783533474 XFDPXXKZAHMDOO-FIXISWKDSA-N 405.293 -0.808 50 20 HBGD C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1)N1C[C@H]2C[C@H]2C1 1783935152 ODKUTNHFFSWPOO-VWXURSGXSA-N 421.542 -0.471 50 20 HBGD CC[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C[C@@H]21 1783957889 OJDUQBGBIXOQDS-YBDXHYROSA-N 419.482 -0.129 50 20 HBGD C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1784502807 GFXDCKUHQDLKFJ-CBVHJVASSA-N 416.283 -0.449 50 20 HBGD CC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@H]3NC(=O)NC3=O)[C@H]2C1 1785153657 WHHNBBLAUYVZIL-WJTVCTBASA-N 400.863 -0.418 50 20 HBGD C[C@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=N)N)[C@H]2C1 1786804685 NGYXZXJQWSTGEV-RHYQMDGZSA-N 404.309 -0.520 50 20 HBGD O=C(CNC(=O)c1ccco1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1787080946 RCMFUMPNMIXBFP-ABHRYQDASA-N 413.858 -0.411 50 20 HBGD CNC(=S)NCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](Cl)COC)C[C@@H]21 1788616534 PJRYNNLRYJGEEH-XUXIUFHCSA-N 420.963 -0.296 50 20 HBGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21)n1cccn1 1791643329 KOKQCPNDNQEEQZ-QZWWFDLISA-N 420.514 -0.203 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(O)cc(O)cc1O)C2)[C@@H](O)CCl 1792980495 QIRIOYZPWDZTSW-YPSFTXJRSA-N 400.815 -0.394 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCOC1=O)c1cccc(B(O)O)c1 1793350737 QBTWAZZJHQRXNZ-MUJYYYPQSA-N 401.228 -0.930 50 20 HBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(OC)nn1C 1794348435 LZCGUQLWRCKLAC-OXIQGZBJSA-N 400.863 -0.114 50 20 HBGD CCc1oncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795737522 QSRGRXIPLRHKDU-ZSBFGKGUSA-N 413.239 -0.566 50 20 HBGD CN(C)C(=O)C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807361397 AHRYZTOILMPWPY-WMZOPIPTSA-N 424.266 -0.831 50 20 HBGD CCOC(=O)N[C@H](O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](O)CCl)CC2 1819458852 XGMVZCPYCYORMN-HUQFOHBGSA-N 420.875 -0.281 50 20 HBGD COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)ccn1 1830730678 BWTQSHQGVRDDID-RDTXWAMCSA-N 413.858 -0.240 50 20 HBGD O=C(/C=C/C1CC1)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1830787628 SKZOHTXJLZWEQN-RPZUPEABSA-N 414.267 -0.597 50 20 HBGD CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837457056 UJVPNORHQASBPN-LJQANCHMSA-N 405.455 -0.445 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCS(C)(=O)=O)C2)C1 1839148989 PMZVVHIEOCDDGU-CJNGLKHVSA-N 410.920 -0.105 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1840036633 POULPPOOECDKMK-XHDPSFHLSA-N 403.229 -0.686 50 20 HBGD C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)C(=O)NC3CC3)cc2)C[C@H](C)O1 9889551 KRPLGPKDYLTCPD-RYUDHWBXSA-N 424.479 -0.476 50 20 HBGD NC(=O)COc1ccc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1 24704375 SRRGBSLXKQZYBJ-UHFFFAOYSA-N 405.436 -0.081 50 20 HBGD O=C(CCNC(=O)N1CCc2ccccc2C1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 735652262 IUSTZWYRFRPIFI-HNNXBMFYSA-N 423.495 -0.338 50 20 HBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)n1 742038130 PDPJNABYSHRSKN-LBPRGKRZSA-N 411.488 -0.635 50 20 HBGD CCn1c(=O)c2ccccc2n(CC(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)c1=O 746202983 QLMCXHCUBDHDCM-CYBMUJFWSA-N 408.480 -0.325 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cnc(NC(=O)OC(C)(C)C)cn1 758025904 OGQPJVGCMAPNQS-QMMMGPOBSA-N 402.433 -0.478 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)C3CCOCC3)CC2)cc1 765727824 IUEUFYWZTGQBLC-UHFFFAOYSA-N 424.523 -0.125 50 20 HBGD CCn1c(C)cc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1C 766643793 KNVUJXFCNOZGNU-UHFFFAOYSA-N 401.427 -0.667 50 20 HBGD CCOC(=O)CNC(=O)[C@@H]1COCCN1CC(=O)NNC(=O)c1ccc(C)cc1 781904249 BEQKCCVGJAREGZ-HNNXBMFYSA-N 406.439 -0.864 50 20 HBGD O=C(COCCNC(=O)c1ccccc1)NNC(=O)c1ccc(-n2cnnn2)cc1 785031171 BCEXTZUEUGCHSK-UHFFFAOYSA-N 409.406 -0.130 50 20 HBGD NC(=O)[C@H]1CC(C(=O)NNc2ccccc2S(N)(=O)=O)=NN1c1ccccc1 788232791 YOFBINXSLMXSCD-CQSZACIVSA-N 402.436 -0.103 50 20 HBGD Cc1ccc(C)c(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-] 790391884 OMDKOMPWIBSGKY-JTQLQIEISA-N 406.442 -0.109 50 20 HBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 810942675 TVDSQQBCZSXHGV-UHFFFAOYSA-N 411.440 -0.491 50 20 HBGD CC(=NNC(=O)CNC(=O)c1ccco1)c1ccc(S(=O)(=O)CC(N)=O)cc1 814826595 CMGLDSDHPOKEIK-UHFFFAOYSA-N 406.420 -0.191 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NNC(=O)C(=O)NC3CC3)C2)s1 849167801 VRYBDJSYBJBYTG-LLVKDONJSA-N 414.509 -0.117 50 20 HBGD COc1ccccc1CC(=O)NNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 919820315 SIQBXMKAJZXPJP-ZDUSSCGKSA-N 422.463 -0.449 50 20 HBGD Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 1317894830 IIPSFFKTXKBISJ-ZDUSSCGKSA-N 422.511 -0.130 50 20 HBGD O=C(CNS(=O)(=O)c1ccccc1)NNC(=O)C1CCN(c2ncccn2)CC1 1324588506 VKJYETDDDOIVNB-UHFFFAOYSA-N 418.479 -0.181 50 20 HBGD CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)O1 1337206882 WRXIEHPCXWDHOI-CABCVRRESA-N 419.486 -0.341 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)[C@@H]1CCCO1 1791032429 RNGFVNPDKIEDQQ-DKIMLUQUSA-N 402.256 -0.861 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc(O)n3c1CCCC3)C2)[C@H](O)CCl 1792981416 YINMVQCGAKYFIQ-ZMJPVWNMSA-N 412.874 -0.272 50 20 HBGD CC(C)(C)OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1793754424 BACUTJTWXKFRES-JLVBRIDZSA-N 404.272 -0.615 50 20 HBGD COC(=O)NCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798443641 RCUJQJFTLACBME-ZSBIGDGJSA-N 404.427 -0.707 50 20 HBGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnc1C(N)=O)C2 1800974186 PEXVDIQWYJWTFO-ZMJPVWNMSA-N 410.858 -0.363 50 20 HBGD Cc1ccn(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)n1 1830726181 OXIJJTWNSGPEBW-YOEHRIQHSA-N 400.863 -0.752 50 20 HBGD O=C(NC1CCN(C2CCN(C(=O)[C@H]3C[C@@H]3F)CC2)CC1)c1ccc(B(O)O)cc1 1834799308 SWHZMWVMZSAJIK-OALUTQOASA-N 417.290 -0.090 50 20 HBGD CN[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1)C(=O)O 1835766901 YIVHOUGKKDBSPL-ZUZCIYMTSA-N 412.270 -0.691 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN(C)C(C)=O)C2)C1 1840151312 YGDXCELIPHWHIV-MAUKXSAKSA-N 419.906 -0.435 50 20 HBGD CC[C@H](Br)C(=O)N1CCCC12CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1846069307 TVOHNOWQBVFONJ-UWVGGRQHSA-N 401.261 -0.039 50 20 HBGD O=C(CC(F)(F)F)NNC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 726710640 LHPQXZHUOPERAG-UHFFFAOYSA-N 403.365 -0.202 50 20 HBGD O=C(Cn1ccc2ccccc21)NNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 729451024 FAOCFDIPBUUBKG-LSDHHAIUSA-N 418.475 -0.176 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccccc1C(=O)N1CCOCC1 755625377 YZPDPIJQTFXASE-NSHDSACASA-N 413.456 -0.751 50 20 HBGD CCCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)cc1 764425692 QWHNMOKUCDBVQA-ZDUSSCGKSA-N 414.440 -0.660 50 20 HBGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)CNS(=O)(=O)c1cnn(C)c1 772968151 DLTVEZQJMPMKDA-JTQLQIEISA-N 415.859 -0.033 50 20 HBGD CS(=O)(=O)N[C@H]1CCN(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1 793215813 PVNIKBILQWOPHL-ZDUSSCGKSA-N 413.456 -0.723 50 20 HBGD COc1cc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)c(OC)c(C)c1OC 797070016 GZGMJKCEEGPDCR-UHFFFAOYSA-N 408.411 -0.271 50 20 HBGD C#CC[C@@]1(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)CCCN1C(=O)OC(C)(C)C 809666281 SNEYTUAXTTVBFC-SJCJKPOMSA-N 416.500 -0.136 50 20 HBGD CC[C@@H](C)NC(=O)CN1CCN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1 913054313 GYCWJZBRHMAWBY-CQSZACIVSA-N 420.470 -0.112 50 20 HBGD Cc1c(Br)cc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c(=O)n1C 1116778486 KLRHAZGOMFVTKS-MRVPVSSYSA-N 406.258 -0.348 50 20 HBGD Cc1oncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779031240 OWZRDCRRROYDAP-IBGZPJMESA-N 414.422 -0.261 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)[C@@H]3[C@H]4C=CS[C@H]43)C2)C1 1782736233 MJZKOYJWVWBCPB-VIPLHTEESA-N 414.292 -0.315 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(F)c[nH]3)C2)C1 1783627983 CJJQURMZHUJXOX-IBGZPJMESA-N 416.413 -0.090 50 20 HBGD C[C@H](C(=O)N1CC[C@]2(CN(C(=O)[C@H](F)Br)CCO2)C1)n1cnnn1 1784596671 CAYYLSYYAKAGEF-GBIKHYSHSA-N 405.228 -0.246 50 20 HBGD CC(C)NCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1786953539 IVRBLPOLJGVQDJ-WDSOQIARSA-N 417.315 -0.652 50 20 HBGD CC[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@H](O)CN3)[C@H]2C1 1789766376 YSVJBKGVMVKKNW-LZXPERKUSA-N 418.332 -0.138 50 20 HBGD CCn1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)n1 1794878904 PMJPVWXODKVACB-JLVBRIDZSA-N 412.255 -0.900 50 20 HBGD COc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c1 1798887098 NQCZPSXWCNVBOP-XEMDLRDOSA-N 424.262 -0.108 50 20 HBGD O=C(Cc1ccc2ncnn2c1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1799081636 OJDZTLWBJYHNFB-UMPJEAMMSA-N 407.858 -0.539 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)N1CCOCC1)C2 1799277149 SHJFEHYVIXHAJA-IQNXINDISA-N 424.325 -0.537 50 20 HBGD CC(C)(C)OC(=O)N[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1799679613 GHWFRYANEXVJGF-CYRBOEJBSA-N 421.878 -0.981 50 20 HBGD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2)n1cnnn1 1801440309 ZYRZZHKEKPYSEU-HHKYUTTNSA-N 405.228 -0.486 50 20 HBGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CCCS1(=O)=O)C2 1802337800 ATVNHSHVLOGQEA-XGUBFFRZSA-N 414.528 -0.425 50 20 HBGD O=C(CN(CCO)CCO)N1CCC([C@@H]2CCCCN2C(=O)[C@H](O)CCl)CC1 1824185795 LFVGXJBFIRLRAJ-DLBZAZTESA-N 419.950 -0.508 50 20 HBGD O=C1C[C@@H](C(=O)N2CCC(N3CCC(NC(=O)[C@H](O)CCl)CC3)CC2)CCN1 1833313033 RCZKLBLOOATTDX-XJKSGUPXSA-N 414.934 -0.316 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccnc3C)C2)C1 1840155507 DPQREHMEZFEQDI-YJBOKZPZSA-N 414.890 -0.098 50 20 HBGD COC(=O)[C@H]1CC[C@@H](C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)C1 1841341284 REPWRHNWGBLVIE-CVEARBPZSA-N 414.267 -0.227 50 20 HBGD CCc1ccccc1OCC(=O)NNC(=O)CCc1nc2c([nH]1)c(=O)[nH]c(=O)n2C 109413117 HROSGIYMBVYNMC-UHFFFAOYSA-N 414.422 -0.329 50 20 HBGD COc1ccc(C(=O)NCC(=O)NNC(=O)CNC(=O)c2ccco2)cc1OC 725901923 APCBHNRHFVZTTC-UHFFFAOYSA-N 404.379 -0.396 50 20 HBGD C[C@H](C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)N1CCN(c2ccc(F)cc2)CC1 732259623 SNCTWUNFMKIKOL-ZIAGYGMSSA-N 412.487 -0.082 50 20 HBGD CCC(CC)NC(=O)C(=O)NNC(=O)CCNS(=O)(=O)c1ccc(F)cc1 740851250 WELCVSYMMZABAU-UHFFFAOYSA-N 402.448 -0.054 50 20 HBGD COCC(=O)N[C@H](C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)C(C)C 741374438 ZQEBDUGCSIOOMZ-YOEHRIQHSA-N 423.422 -0.696 50 20 HBGD O=C(NCCCN1C(=O)NC2(CCCCC2)C1=O)NNC(=O)C(=O)N1CCCC1 748445251 PSZRLARSUUDPCE-UHFFFAOYSA-N 408.459 -0.416 50 20 HBGD COCCNS(=O)(=O)c1c[nH]c(C(=O)NNC(=O)c2cccc(OC)c2O)c1 764319532 ZOWBGGUUAPIRHW-UHFFFAOYSA-N 412.424 -0.272 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2ccc(Cl)nc2)n(C)c1=O 765312315 CYOQZQFXEQTRTA-UHFFFAOYSA-N 406.790 -0.665 50 20 HBGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)NNC(=O)[C@H]1Cc2ccccc2O1 787740154 QAIGLRMRWFQAHR-OAHLLOKOSA-N 408.378 -0.359 50 20 HBGD CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 794825716 XBXSKOVGUBTNPP-RYUDHWBXSA-N 405.473 -0.406 50 20 HBGD Cn1nc(SCC(=O)NNC(=S)NCCc2cccs2)c(=O)n(C)c1=O 838842815 XARGAXOBMUMXJZ-UHFFFAOYSA-N 414.538 -0.629 50 20 HBGD NC(=O)[C@@H]1CCCN(c2ccc(C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)cc2)C1 1318026414 XSPCUWJHOWXQEG-ZIAGYGMSSA-N 408.480 -0.416 50 20 HBGD CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)NN[C@@]1(C)CCS(=O)(=O)C1)C2 1326902247 WBZIYTHEIKAYTR-ZQIUZPCESA-N 401.533 -0.549 50 20 HBGD O=C1NC(=O)[C@H](CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@H](F)Cl)C2)N1 1778022509 OSOGRIGDWRZZTD-AXPHHGHSSA-N 404.826 -0.367 50 20 HBGD COCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)[C@H]2C1 1787508698 HXVCVZKGZHVBTM-WCVSUZCSSA-N 405.455 -0.254 50 20 HBGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1791257657 NIESYHHSVPLCMM-AJNGGQMLSA-N 418.922 -0.407 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)C1CC1 1792898012 USVVGVJNFDXVKC-DZEJFCAHSA-N 415.450 -0.311 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)c1c(O)cc(O)cc1O 1799654848 GIJMAPOJSSXRMT-NWIKQPOISA-N 400.815 -0.394 50 20 HBGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)C1 1800529322 HDFPHSQMNCEMNF-ROEYZRMQSA-N 402.289 -0.114 50 20 HBGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCNC1=N)C2 1800638874 BRYWQHABMPEZOZ-GFQSEFKGSA-N 416.320 -0.411 50 20 HBGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCN(C)CC1)C2 1800978218 OFTPLIGAASFCGQ-JYYAWHABSA-N 402.923 -0.923 50 20 HBGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CSCC(=O)O)C2 1802339860 RRRYCWVQDABURK-CLLJXQQHSA-N 400.501 -0.185 50 20 HBGD Cc1nn(C)cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830725065 DHNRIMGMBAGTDV-YOEHRIQHSA-N 400.863 -0.602 50 20 HBGD N#CC1(C(=O)N2CCC(N3CCC(NC(=O)c4cccc(B(O)O)c4)CC3)CC2)CC1 1834800999 HBFLORHYNPWVKM-UHFFFAOYSA-N 424.310 -0.145 50 20 HBGD Nc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cs1 1835789546 MNLGOQAVLYIZPN-XHDPSFHLSA-N 404.876 -0.605 50 20 HBGD N=C(N)NCC(=O)N1CCC(N2CCC(NC(=O)[C@@H](F)Br)CC2)CC1 1836412854 YVSLIUGNYIRSSK-CYBMUJFWSA-N 421.315 -0.268 50 20 HBGD C[C@@H](CBr)C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CNC2=O)C1 1841846743 OYQXYLLALIERJS-JTQLQIEISA-N 401.261 -0.227 50 20 HBGD O=C(c1ccc2nncn2c1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014011 NETBGRPDUCXIAT-UHFFFAOYSA-N 405.223 -0.460 50 20 HBGD C[C@H](CC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1 729339849 BXVRQLABKJTYAD-PWSUYJOCSA-N 421.472 -0.105 50 20 HBGD O=C(Cn1ccc2ccccc21)NNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 729451989 NBCJOLGYKNUGJZ-KRWDZBQOSA-N 413.478 -0.031 50 20 HBGD CCC(=O)NNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc3nc(O)[nH]c3c2)CC1 732196995 JHLBTXRAIJNYBI-NSHDSACASA-N 424.483 -0.479 50 20 HBGD Cn1cc(C(=O)NNC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)cn1 735446355 RGYVHMJRBPSLDJ-UHFFFAOYSA-N 413.481 -0.494 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)C(=O)N1CCCC1 748246687 OAXWODHOPOZEQN-UHFFFAOYSA-N 424.479 -0.601 50 20 HBGD CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCC(=O)NNC(=O)N1CCOCC1 760802739 AXQWOVVUPZAJKV-CYBMUJFWSA-N 413.475 -0.035 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCc2ccn(C)n2)cc1 761016577 CDKSIXCHUKBUNE-UHFFFAOYSA-N 408.484 -0.078 50 20 HBGD CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NNC(=O)c1ccoc1 764163862 NVBFLEDSKONGBW-UHFFFAOYSA-N 423.451 -0.004 50 20 HBGD CS(=O)(=O)Nc1ccc(O)c(C(=O)NNC(=O)CNC(=O)c2cccnc2)c1 764344752 IMUPCZYNNIPDEM-UHFFFAOYSA-N 407.408 -0.650 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc(Cl)ccc2F)n(C)c1=O 765722084 SUGNTBCAJHGNPX-UHFFFAOYSA-N 408.777 -0.313 50 20 HBGD C[C@H]1CN(CCC(=O)NNC(=O)[C@H](C)S(=O)(=O)C2CCOCC2)C[C@@H](C)O1 767823426 UGOIDYKQKVKYQN-MJBXVCDLSA-N 405.517 -0.385 50 20 HBGD CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)cn1 771447191 AKEIFJYMMIJHDI-UHFFFAOYSA-N 401.445 -0.382 50 20 HBGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)cc1F 784004060 HUCLZXRYFTXXGN-UHFFFAOYSA-N 406.326 -0.279 50 20 HBGD Cc1noc(C)c1S(=O)(=O)NCC(=O)NNC(=O)CCN1C[C@H](C)O[C@@H](C)C1 809981535 OFQAUNFXSFNZAM-QWRGUYRKSA-N 417.488 -0.784 50 20 HBGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc3c(c2)NC(=O)CNC3=O)c1 814301485 UWPVIORFRGMOMD-UHFFFAOYSA-N 416.415 -0.153 50 20 HBGD O=C(NNc1ccccc1S(=O)(=O)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1116166641 KLNMLTCTNIQYHC-LBPRGKRZSA-N 403.482 -0.415 50 20 HBGD C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1778973946 OSTXCPHRYXCCLF-QRWLVFNGSA-N 410.515 -0.238 50 20 HBGD C[C@H](Br)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CNC(N)=O)C1 1783290830 XGWDMUSALOYCFS-FIXISWKDSA-N 405.293 -0.048 50 20 HBGD Cc1cnn([C@@H](C)C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1 1783937072 FOFQSSKIDUXRNY-OXJNMPFZSA-N 420.514 -0.045 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)n3cnnn3)C2)C1 1784604377 WRASWEGVAUDANR-MISXGVKJSA-N 401.265 -0.153 50 20 HBGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CNC(=O)C1)C2 1792872037 JYPJVTLBXDMMGC-GHMOJZLGSA-N 402.289 -0.257 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc3ncnn3c1)C2)[C@@H](O)CCl 1792978589 HKCHRBPHWTUSMM-LOUJCGABSA-N 407.858 -0.539 50 20 HBGD CCC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2 1793446401 AWOFBVXVCLKFPX-MIJXAVMKSA-N 423.861 -0.577 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1F 1795992642 XWSDLSRHHXZRFF-IVWMJMPLSA-N 407.446 -0.203 50 20 HBGD COC[C@H](Cl)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CCS(=O)(=O)CC1)C2 1802273402 LJJBSEPAYQJHNM-XGUBFFRZSA-N 421.947 -0.391 50 20 HBGD Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)n(C)n1 1830725717 RIUDSYQCKCCPGJ-YOEHRIQHSA-N 400.863 -0.602 50 20 HBGD Cc1noc(C)c1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830726828 UDZBOOVIZIUKBN-MAUKXSAKSA-N 415.874 -0.110 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1836137978 SSSAMSFXBYAALK-CVEARBPZSA-N 420.297 -0.029 50 20 HBGD C/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837460780 KHFVQBYLRIJITM-PHXNAMCJSA-N 403.439 -0.669 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)[C@@H]2Cc3ccccc3CN2)C1 1843341019 NVLHMBGZEAASJD-FQEVSTJZSA-N 419.290 -0.102 50 20 HBGD CC(=O)NCC(=O)N1CCc2cc(C(=O)NNC(=O)Cn3nc(C)cc3C)ccc21 735647112 HDPXFSQQAAOKPP-UHFFFAOYSA-N 412.450 -0.014 50 20 HBGD CC(C)S(=O)(=O)CC(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 744621367 QMNFKGBHOYCHHA-UHFFFAOYSA-N 405.498 -0.026 50 20 HBGD CCc1ccc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1S(N)(=O)=O 756525420 OQUQVBYQBKNWIE-JTQLQIEISA-N 404.470 -0.516 50 20 HBGD C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 758025498 MPCKMLOJBRNNGH-ZJUUUORDSA-N 409.461 -0.679 50 20 HBGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)c1ccnc2c(C(N)=O)cnn12 765418384 QFTVZEAKTGXJME-UHFFFAOYSA-N 405.415 -0.106 50 20 HBGD CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)c2cc(C)[nH]n2)cc1 765588414 MUKYAKIOULRFTK-UHFFFAOYSA-N 408.440 -0.194 50 20 HBGD CCCNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)cc1 784003464 XHXPFRHPQRMGCA-UHFFFAOYSA-N 415.406 -0.065 50 20 HBGD O=C(C[C@H]1CCCC(=O)N1)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 809724634 SGEVQPOTMSXACC-MRXNPFEDSA-N 401.467 -0.349 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H](NC(=O)OC(C)(C)C)C(F)(F)F 810345857 SXSQSTXJVXDVEY-RQJHMYQMSA-N 406.383 -0.473 50 20 HBGD C=C[C@@](C)(O)CC(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 810593374 ZGQITEZOWNMWOD-LJQANCHMSA-N 424.523 -0.224 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@@H]2CCc3nncn3C2)cc1 814210372 DMKCLTDINBLSLY-CYBMUJFWSA-N 406.468 -0.383 50 20 HBGD O=C(NNC(=O)[C@H]1CCCO1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 815778900 JNTPGQAQBFDNCW-CQSZACIVSA-N 410.452 -0.264 50 20 HBGD CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)NNC(=O)[C@H]2CCc3nncn3C2)=NO1 816887389 YNBXASHIEJTTED-WDEREUQCSA-N 407.431 -0.343 50 20 HBGD Cc1csc(CC(=O)NNC(=O)CN2CCC(C(=O)NCCN(C)C)CC2)n1 1323520356 GPSDAPRBJVIAKS-UHFFFAOYSA-N 410.544 -0.469 50 20 HBGD CN1CCC[C@H](C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)C1 1780997797 MKQKUUSFTPWJDY-LAUBAEHRSA-N 415.299 -0.848 50 20 HBGD C=C(C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2)C(F)(F)F 1783202973 QQWMRKNZHXAVGY-QGZVFWFLSA-N 412.173 -0.072 50 20 HBGD CC[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1783344013 XRFVPFLVAAIUBE-LRDDRELGSA-N 416.320 -0.170 50 20 HBGD Cc1nn(C)c(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1F 1783936988 ZNHIMSZFTWURAP-LJQANCHMSA-N 424.477 -0.316 50 20 HBGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1)n1ccccc1=O 1784091137 KIUGQCDQYAYUGM-CWVYHPPDSA-N 411.886 -0.011 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)C3CC(=O)C3)C2)C1 1785404549 BFPWKQNPBHTERK-IBGZPJMESA-N 401.423 -0.892 50 20 HBGD Cc1ncoc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1786152364 FEKPSFXFXJZLLR-KKUMJFAQSA-N 407.471 -0.051 50 20 HBGD COC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791288713 OTTAGPCIWVEALW-KKUMJFAQSA-N 412.487 -0.708 50 20 HBGD CC(=O)Nc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)n1 1794277367 HOKLCUCWVDVWFA-FAXLKDOZSA-N 410.858 -0.157 50 20 HBGD CC(=O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795737785 SYJXFFVECOVZTO-SCAQPMJSSA-N 402.256 -0.815 50 20 HBGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1)c1ccccn1 1795740583 CBBKMMRMSOVSCX-REGYPHIPSA-N 423.278 -0.232 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1cn2cccnc2n1 1796191442 MRSDANJWHCHYGZ-BJWYYQGGSA-N 419.250 -0.025 50 20 HBGD Cc1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1796669172 FZZAGLFVFPQSQC-ZSBFGKGUSA-N 424.461 -0.094 50 20 HBGD Cc1n[nH]cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797752727 BLCYZPKXIIZXGL-DRXBFXEBSA-N 413.438 -0.766 50 20 HBGD COC[C@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2 1797968134 KUMDZJDLXYTYAV-FPYNETTCSA-N 424.267 -0.582 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(Cl)ncn1 1798308980 RXWRIHUQRKZBHG-DPIQGUFMSA-N 424.889 -0.294 50 20 HBGD O=C(N[C@@H]1CCc2nc(NC(=O)[C@@H](O)N3CCOCC3)sc2C1)[C@@H](O)CCl 1819876860 KXONLZCRZPBJPL-BPYAMOTFSA-N 418.903 -0.695 50 20 HBGD CN(C)NC(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2CNC(=O)C2)[nH]n1 1822416832 QPYANQCIASYAMD-GXTWGEPZSA-N 419.486 -0.089 50 20 HBGD O=C1NC(=O)[C@H](CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H](O)CCl)CC2)N1 1825071219 OMICQDHODHKEQS-MJBXVCDLSA-N 414.890 -0.196 50 20 HBGD CC[C@@H](O)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1833255973 GXSQILAHMLOPHB-LJQANCHMSA-N 417.315 -0.678 50 20 HBGD CC(C)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837457475 DIZQTUAJGOSXCA-LJQANCHMSA-N 423.445 -0.497 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CC[C@H](N)C(N)=O)C2)C1 1839143861 JSXPRHLVCWVKQR-DCGLDWPTSA-N 404.895 -0.947 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2cc(Cl)ncn2)C1 1844572965 PXBDQHBRJXJDNJ-UHFFFAOYSA-N 400.631 -0.059 50 20 HBGD CC(C)NC(=O)C(=O)NNS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 7726034 IWPHOOQRISRUTH-UHFFFAOYSA-N 410.374 -0.187 50 20 HBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)c1cnc[nH]1 725878693 ZYTIWHQAJWIFGN-UHFFFAOYSA-N 407.452 -0.176 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2ccc(F)cc2C#N)n(C)c1=O 757592344 NANWPWCPUPIKQD-UHFFFAOYSA-N 414.357 -0.703 50 20 HBGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)nc1 760202986 HDSKBRQRNZUSPO-PWSUYJOCSA-N 400.461 -0.573 50 20 HBGD CN1CCN(C(=O)NNC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 788168845 FQHVMKORIZFYNV-CYBMUJFWSA-N 403.439 -0.201 50 20 HBGD Cn1nnc2c1C[C@@H](C(=O)N1CCN(S(=O)(=O)CBr)CC1)CC2 810909408 FCSCQLCJBRRPEN-JTQLQIEISA-N 406.306 -0.254 50 20 HBGD CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1cccc(-n2cnnc2)c1 814877014 IBJVVYQKEJOXBW-UHFFFAOYSA-N 421.421 -0.445 50 20 HBGD O=C(NNC(=O)[C@H]1CCCO1)C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 815780473 YLQIMFCHCDBATR-GFCCVEGCSA-N 414.415 -0.469 50 20 HBGD O=C(CN1CCCC1=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 919344911 LVLCZQJWKLYWCZ-UHFFFAOYSA-N 410.452 -0.909 50 20 HBGD CN(C)N(C(=O)c1cc2c(c(S(N)(=O)=O)c1)CCC2)[C@@H]1CCS(=O)(=O)C1 1343773381 IBGUVQMGFNTQJG-CYBMUJFWSA-N 401.510 -0.071 50 20 HBGD Cc1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1787703902 ADZPVPXETAUNNG-VDGAXYAQSA-N 423.278 -0.023 50 20 HBGD NC(=O)c1ccccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1790125817 RAALONKKSAJKAK-KSYCFECVSA-N 409.870 -0.022 50 20 HBGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CS(C)(=O)=O)C[C@@H]21 1791057336 BBOCEKFEAYPJKI-RHYQMDGZSA-N 411.318 -0.206 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCCC3)C[C@@H]21 1791286924 ODYFRKBORJABNX-ULQDDVLXSA-N 409.531 -0.565 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)c1ccco1 1792521931 QBMKKMQWXGAYIT-GGNLRSJOSA-N 408.455 -0.724 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1ON=C(c3ccccc3)O1)C2)[C@@H](O)CCl 1792981510 LNEDDYTXRRVOCF-ZIUCBDDQSA-N 423.853 -0.090 50 20 HBGD CSCC[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801012151 IPRGCVTZUXLGAJ-UMPJEAMMSA-N 416.544 -0.937 50 20 HBGD O=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2)c1ccccc1 1830725976 SXSSYTYXLOXQMX-KXBFYZLASA-N 410.854 -0.075 50 20 HBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830737196 DRRORGIYPRGOPF-COPLHBTASA-N 413.696 -0.174 50 20 HBGD C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](Cl)COC)C2)C1 1831401440 BVMKECLXFUFYGO-VKJFTORMSA-N 402.875 -0.265 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC(=O)NC3)C2)C1 1840149694 XUKVHLGBROFKHQ-SUNYJGFJSA-N 417.890 -0.777 50 20 HBGD CC(C)NC(=O)C(=O)NNC(=O)c1cc(S(=O)(=O)N2CCC[C@H](C)C2)cn1C 730207472 QUFQUAYTTDLXQZ-LBPRGKRZSA-N 413.500 -0.269 50 20 HBGD COCCNS(=O)(=O)c1c[nH]c(C(=O)NNC(=O)COc2ccc(C#N)cc2)c1 746094387 IJALFWJKCFEWHN-UHFFFAOYSA-N 421.435 -0.349 50 20 HBGD CC(=O)N[C@@H](CC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1ccc(F)cc1F 758038382 DILCCQIJNADGNI-OQPBUACISA-N 406.411 -0.383 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O 758041167 WSXHCYLTXWRQII-SKDRFNHKSA-N 402.860 -0.222 50 20 HBGD CNC(=O)NCC(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 761135611 LPZGERJNEOHDIT-UHFFFAOYSA-N 419.463 -0.145 50 20 HBGD C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NNC(=O)CO)cc2)C1 764422130 VJXIATHPTIXBRI-VXGBXAGGSA-N 412.468 -0.569 50 20 HBGD COC(=O)CNC(=O)NNS(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1OC 790068197 NLCZRLGALMHGSI-UHFFFAOYSA-N 409.804 -0.199 50 20 HBGD CCOC(=O)c1cc(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1C 795303421 OZIJLHRZIWWYJU-LLVKDONJSA-N 419.481 -0.149 50 20 HBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)[C@@H]1CCc2nncn2C1 815827360 WJESIVBMEJPODN-MRXNPFEDSA-N 411.466 -0.554 50 20 HBGD Cn1c(=O)c2ccc(C(=O)NNC(=O)c3ccc4c(c3)OCCO4)nc2n(C)c1=O 913210490 FNLDBOAIVNVCGP-UHFFFAOYSA-N 411.374 -0.522 50 20 HBGD O=C(NNC(=O)[C@H]1CCCN1C(=O)Cc1ccccc1)N[C@@H]1CCS(=O)(=O)C1 920293122 JXPRUXMNSYBNCA-HUUCEWRRSA-N 408.480 -0.262 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CSCc2cccs2)n(C)c1=O 1116289829 XHSYKLUHGLUALD-UHFFFAOYSA-N 422.492 -0.424 50 20 HBGD COc1ccccc1C(=O)NNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 1318450236 MAWKTQJYOMGXCH-NSHDSACASA-N 408.436 -0.378 50 20 HBGD O=C(Cc1ccnc(O)c1Br)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1320835557 PFGJDPHSMYONQL-MRVPVSSYSA-N 407.246 -0.390 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3ccccn3)CCO2)C1 1779029324 VSLUIUXLQNMZQH-HXUWFJFHSA-N 410.434 -0.163 50 20 HBGD O=C(c1nc(O)n2c1CCCC2)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1779344120 NCSOSKOJRLSDFC-UGSOOPFHSA-N 412.874 -0.032 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCOC3)C[C@@H]21)c1ccc(B(O)O)cc1 1786982167 PQXPBJHZWVAMSF-NBMJBFSESA-N 416.283 -0.614 50 20 HBGD CC(C)NCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791289050 FGLJJCZQGPBGHS-ULQDDVLXSA-N 411.547 -0.273 50 20 HBGD C[C@H](Cn1cccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1794212121 OELJFLWOMDRVPA-OAFZBRQQSA-N 420.514 -0.518 50 20 HBGD O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807373715 FAHNSXJKNXFXKF-JXFKEZNVSA-N 421.218 -0.831 50 20 HBGD O=C(CN1C(=O)C=CC1=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](O)CCl)CC2 1826313364 TXSTUOYOEPKTLW-SCZZXKLOSA-N 412.855 -0.420 50 20 HBGD O=C([C@H](O)CCl)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](O)N2CCOCC2)CC1 1828963549 DPTFYEHRCPCDFY-LZLYRXPVSA-N 417.934 -0.144 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)nn3)C2)C1 1840150523 NESTZOBABCOUKW-YVEFUNNKSA-N 414.846 -0.494 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 1840155698 GTXDQXJCODSOLU-GLJUWKHASA-N 417.890 -0.777 50 20 HBGD C[C@@H](CBr)C(=O)N1CCCC12CN(C(=O)CN1C(=O)CNC1=O)C2 1841285762 NJMJENANJITYHJ-JTQLQIEISA-N 401.261 -0.227 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)CCc2cncnc2)C1 1843053585 VQVCAUCVMUOYHS-UHFFFAOYSA-N 409.450 -0.075 50 20 HBGD COc1cc(C(=O)NCC(=O)NNC(=O)C(=O)NC2CC2)ccc1OC(F)F 8393277 SXEJFYMWTDQUMC-UHFFFAOYSA-N 400.338 -0.548 50 20 HBGD CCOc1ccccc1OCC(=O)NNC(=O)[C@H]1CCCN1C(=O)CNC(C)=O 728456552 SMWDDZUCELAQGX-CQSZACIVSA-N 406.439 -0.261 50 20 HBGD C[C@@H]1CN(CCC(=O)NNC(=O)[C@@H](C)N2C(=O)NC3(CCCC3)C2=O)C[C@@H](C)O1 732262741 VZEIUAWSNLBZPZ-MGPQQGTHSA-N 409.487 -0.114 50 20 HBGD COc1ccccc1OCC(=O)NNC(=O)N[C@H]1CCN(CCN2CCOCC2)C1 734686799 VJGLJVHSHXASFG-INIZCTEOSA-N 421.498 -0.189 50 20 HBGD Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)NNC(=O)c2cnn(C)c2)CC1 735473294 REMAMHOSSBAMAL-UHFFFAOYSA-N 409.472 -0.378 50 20 HBGD Cn1ccnc(N2CCN(CC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)CC2)c1=O 745991400 PZRFOQCOTYOFHF-UHFFFAOYSA-N 415.410 -0.728 50 20 HBGD CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 746103488 SQBQRXJVQKBVFE-NXEZZACHSA-N 402.433 -0.591 50 20 HBGD CCCNS(=O)(=O)c1ccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1 756775588 JHWTXTBZWJUXBJ-SNVBAGLBSA-N 421.501 -0.535 50 20 HBGD CCNS(=O)(=O)c1ccc(CNC(=O)NNC(=O)CNC(=O)c2ccco2)cc1 764375097 VBAFAMFIQDSZBJ-UHFFFAOYSA-N 423.451 -0.162 50 20 HBGD CCOC(=O)c1ccc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)o1 764819254 ZYEAEFDYRYOSAX-UHFFFAOYSA-N 402.367 -0.646 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2cccc(Cl)c2)n(C)c1=O 765313528 SMDSVSSQRKSUNU-UHFFFAOYSA-N 405.802 -0.060 50 20 HBGD CCCc1ncc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)s1 765732916 YGBDVSBBYWGCKX-UHFFFAOYSA-N 405.440 -0.696 50 20 HBGD C[C@@H]1CN(CCC(=O)NNC(=O)CNS(=O)(=O)c2cccc(F)c2)C[C@@H](C)O1 912919279 LCWLEYWNLUBJIL-CHWSQXEVSA-N 416.475 -0.249 50 20 HBGD O=C(CN1CCCC1=O)NN=Cc1cccc(C=NNC(=O)CN2CCCC2=O)c1 916357636 BQWYZOKGEWWEFW-UHFFFAOYSA-N 412.450 -0.168 50 20 HBGD CNC(=O)CCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 918235798 RXSYAGCBOPXGQP-UHFFFAOYSA-N 411.484 -0.059 50 20 HBGD CS(=O)(=O)N1CCC[C@H](NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1 920240289 PFCLCWOMDDBTHZ-LBPRGKRZSA-N 408.444 -0.970 50 20 HBGD Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 920745642 NOGFXUFUEBGAID-SJWLEHQBSA-N 423.430 -0.364 50 20 HBGD O=C(CN1C(=O)CCC1=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 1317704433 HCBCEIMTKUGNBZ-UHFFFAOYSA-N 408.436 -0.619 50 20 HBGD O=C1NC(=O)[C@H](CC(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](F)Br)C3)C2)N1 1781327226 YSYVSUJKQPWPBQ-LLHLLMPMSA-N 421.223 -0.895 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)c1cc2ncccn2n1 1788301894 AESVRMXFVUWILA-VIRABCJISA-N 407.858 -0.078 50 20 HBGD N[C@@H](Cc1cscn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792978407 TYGMFIKXWYPJTJ-XASJZRDYSA-N 402.904 -0.798 50 20 HBGD Cn1cc(F)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795738735 BSKJWNIGBWNMRL-ZSBFGKGUSA-N 415.230 -0.639 50 20 HBGD O=C(CN1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1835372316 KPUXMJCIZLUROC-QAPCUYQASA-N 403.907 -0.472 50 20 HBGD CC(C)N1CCC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840581488 CVZFBLALLSHDQN-FRQCXROJSA-N 417.934 -0.085 50 20 HBGD C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnccc1C(=O)NN 1847261909 HTULVRITDISNHP-HFZJXRFXSA-N 412.450 -0.641 50 20 HBGD CCC(=O)NNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 731848799 NCZHGSAZBPPWRO-GFCCVEGCSA-N 413.456 -0.153 50 20 HBGD C[C@@H](C[S@@](C)=O)NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 753357963 IVWGTESIZROZNB-GWQKEKGPSA-N 418.545 -0.589 50 20 HBGD COc1ccc(C(=O)N(C)C)cc1NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 756120622 HVSRLCFAUNJNMJ-SECBINFHSA-N 401.445 -0.513 50 20 HBGD COC(=O)c1cn([C@H]2CCN(CC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)C2)nn1 760888932 SIUPQBUBIAQQIN-ZDUSSCGKSA-N 417.382 -0.319 50 20 HBGD Cc1cc(C(=O)NNC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)n[nH]1 763119263 LEPPITXXEPWQAW-JTQLQIEISA-N 406.424 -0.820 50 20 HBGD Cc1cc(NC(=O)C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])cn(C)c1=O 763802329 BAHNFMSKKMTWMZ-UHFFFAOYSA-N 403.351 -0.233 50 20 HBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)N1C[C@H]2CCCN2c2ccccc21 764001818 FOPKPUGJUFBQHE-CHWSQXEVSA-N 406.464 -0.416 50 20 HBGD CCN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NNC(=O)CN(C)C)cc2)CC1 764204729 YHFJTVUEGZMQFR-UHFFFAOYSA-N 418.498 -0.959 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(Oc2ccccn2)cc1 764229958 GJNIXEWQMHXLKN-NSHDSACASA-N 421.435 -0.103 50 20 HBGD CCC(CC)n1nccc1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 771045775 PKQDXRSYXYDYCW-UHFFFAOYSA-N 416.442 -0.548 50 20 HBGD COc1ccc(C(=O)NNC(=O)C(=O)NCC(=O)N(C)C)cc1Br 782702520 OSPBVLOWKZXOEO-UHFFFAOYSA-N 401.217 -0.577 50 20 HBGD CN(C)c1c(C=NNC(=O)C2CCN(c3ncccn3)CC2)c(=O)n(C)c(=O)n1C 807970162 AYRLUZJUAZHGIM-UHFFFAOYSA-N 414.470 -0.693 50 20 HBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1sccc1S(=O)(=O)N1CCCC1 822664512 SMZWXXVASJBABA-JTQLQIEISA-N 421.522 -0.272 50 20 HBGD Cc1c(Br)cc(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c(=O)n1C 1255867276 FXAFBNSLDQOQEH-QMMMGPOBSA-N 421.273 -0.413 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1783874841 HPEPRTKTSXRYPL-MAUKXSAKSA-N 410.663 -0.936 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cncn3)C[C@@H]21)[C@H](F)Br 1789922647 NIJQOKHAJFEZLI-ZPFDUUQYSA-N 404.240 -0.052 50 20 HBGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3C)C[C@@H]21 1791253398 BMDZKEBBXZBFCV-RMEBNNNOSA-N 401.891 -0.159 50 20 HBGD O=C1CC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](F)Br)C3)CN1 1792584679 XQWGJUWBPBCTFM-UWHIDBLNSA-N 406.252 -0.207 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]1(C)CC1(F)F 1802005831 OCGXBZUOSODJSO-DJZPMSPPSA-N 402.442 -0.006 50 20 HBGD O=C(c1cncc(F)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830724042 CKSLPDSPJUFLTI-PBHICJAKSA-N 401.822 -0.110 50 20 HBGD Cc1ccn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)n1 1833080534 BFEFVFBUIUNQHY-PBHICJAKSA-N 400.863 -0.752 50 20 HBGD CC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1835454858 MAGSFFWCMPBSDK-GOSISDBHSA-N 412.198 -0.908 50 20 HBGD CCOC(=O)N[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1837206749 PVNBPGZHTFHIHI-HFAKWTLXSA-N 411.814 -0.958 50 20 HBGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)c1ncon1)CCO2 1838314390 KQVVRGJPYDCQTR-CQSZACIVSA-N 403.233 -0.075 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCn3cncn3)CCO2)C1 1840359522 KOOBGQABOMEXHC-PBHICJAKSA-N 415.878 -0.622 50 20 HBGD CCCC(=O)N[C@H](C)C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844264580 JVCBQZCVVGSVAE-CYBMUJFWSA-N 416.482 -0.193 50 20 HBGD O=C(CCCCCC(=O)NNC(=O)N1CCOCC1)NNC(=O)N1CCOCC1 729841945 RIRSCGMOAMUSGV-UHFFFAOYSA-N 414.463 -0.917 50 20 HBGD NC(=O)CNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)o1 741144430 RRXKEXQQAYCANZ-UHFFFAOYSA-N 400.800 -0.229 50 20 HBGD COCCNS(=O)(=O)c1c[nH]c(C(=O)NNC(=O)COc2ccccc2O)c1 746235646 ZZZJCHXNIPBNAT-UHFFFAOYSA-N 412.424 -0.515 50 20 HBGD COC(=O)c1cc2c(cc1NC(=O)C(=O)NNC(=O)Cc1ccccn1)OCO2 753840797 NYEPJSVDTQUWJQ-UHFFFAOYSA-N 400.347 -0.075 50 20 HBGD C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNC(=O)NCCc1cccs1 755238794 UVXHBUQEOBUTRC-JTQLQIEISA-N 400.486 -0.279 50 20 HBGD CN1CCN(S(=O)(=O)c2cccc(NC(=O)NNC(=O)c3cnn(C)c3)c2)CC1 756213617 XNLLULVBEJFQMS-UHFFFAOYSA-N 421.483 -0.177 50 20 HBGD C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)CCc1ccco1 763034481 WHKWTHPFGACMLA-NSHDSACASA-N 408.436 -0.175 50 20 HBGD CCCCOc1ccccc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764227006 LPIAMERLIYQSQY-LLVKDONJSA-N 400.457 -0.111 50 20 HBGD Cc1ccn(-c2ccccc2NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)n1 764233329 UVVDODUPEQPQAS-LLVKDONJSA-N 408.440 -0.796 50 20 HBGD CCCNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)c2c[nH]nc2C)c2ccccc2O1 764298580 XAOAUOXDQYVAAR-OAHLLOKOSA-N 414.422 -0.200 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cnns3)CC2)cc1 766635886 IFVYERBBWYPLGI-UHFFFAOYSA-N 424.508 -0.386 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3nonc3C)CC2)cc1 766636445 OKCKTGKSVWEBLT-UHFFFAOYSA-N 422.467 -0.546 50 20 HBGD CCn1nc(C(=O)NNC(=O)c2ccc(S(N)(=O)=O)cn2)c2ccccc2c1=O 769739272 XRFDFNCTSCOXAE-UHFFFAOYSA-N 416.419 -0.466 50 20 HBGD CNC(=O)COc1cccc(CC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 772631652 UQTHVDSIZPYHKA-UHFFFAOYSA-N 409.406 -0.209 50 20 HBGD COc1ccccc1[C@](N)(C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(F)(F)F 776103695 ZJGIWXRSZCPASM-OTYXRUKQSA-N 409.386 -0.006 50 20 HBGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1ccc(OC[C@H]2CCCO2)cc1 784000145 OIBZUBCLPQZNEI-OAHLLOKOSA-N 404.423 -0.047 50 20 HBGD NS(=O)(=O)c1ccc(CC(=O)NNC(=O)CNC(=O)OCc2ccccc2)cc1 794061207 CGORFZHFNRQPIS-UHFFFAOYSA-N 420.447 -0.050 50 20 HBGD CN(C)S(=O)(=O)c1ccc(NNC(=O)C2CCN(S(N)(=O)=O)CC2)cc1 794717508 ONTQDMUJMHZGCH-UHFFFAOYSA-N 405.502 -0.705 50 20 HBGD CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 795528789 YKGPRGSXGCRKEV-RYUDHWBXSA-N 420.488 -0.470 50 20 HBGD COc1ccc(C(=O)NNC(=O)COC(=O)C2(S(C)(=O)=O)CC2)cc1OC 795877125 VQWOWCMTSNUGBQ-UHFFFAOYSA-N 400.409 -0.415 50 20 HBGD CC(C)Cn1cnc2c1c(=O)n(CC(=O)NNC(N)=O)c(=O)n2Cc1ccccc1 798276845 PBHDHPNLLKETNO-UHFFFAOYSA-N 413.438 -0.237 50 20 HBGD Cc1ccc(S(=O)(=O)NCC(=O)NNC(=O)CNC(=O)c2cccnc2)cc1 810571656 BYGQVCUTKMEBEM-UHFFFAOYSA-N 405.436 -0.754 50 20 HBGD NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)c(OCC(F)F)c1 815779414 FFWJOPQSEZWMNG-SNVBAGLBSA-N 400.338 -0.306 50 20 HBGD COc1ccc(S(=O)(=O)N(C)CCCC(=O)NNC(=O)C(=O)NC(C)C)cc1 840562332 DPZHKMRUILXCHW-UHFFFAOYSA-N 414.484 -0.232 50 20 HBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CC[C@H](B(O)O)C2)c1 864234222 OQRPTCPSDZXVKJ-AWEZNQCLSA-N 411.289 -0.478 50 20 HBGD O=C(CCNS(=O)(=O)c1ccccc1F)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 920212386 HYHMBRQNFKFYBQ-SNVBAGLBSA-N 422.460 -0.988 50 20 HBGD COC(=O)N(C)NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1OC 1323786744 OLWDDRIRZWYMCA-GFCCVEGCSA-N 401.441 -0.042 50 20 HBGD O=C1NCC2(CCN(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)CC2)O1 1341035841 LKHOILZGVSBDQW-UHFFFAOYSA-N 410.456 -0.092 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3cccnn3)CCO2)C1 1779032738 XHMQBZYPUKZIIC-IBGZPJMESA-N 411.422 -0.768 50 20 HBGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NNC(=O)C1)C2 1782175153 FNNACEZFWIUNQH-CJBNDPTMSA-N 400.863 -0.370 50 20 HBGD C[C@H](CBr)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1783156413 OCIJLNWCESXCLV-HSMVNMDESA-N 402.289 -0.017 50 20 HBGD Cc1cn(CC(=O)N2CCO[C@]3(CCN(C(=O)C(Cl)Cl)C3)C2)c(=O)nc1O 1783951354 GBCJZJRQCUKPTK-MRXNPFEDSA-N 419.265 -0.109 50 20 HBGD CC(C)[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1784533067 IVAAJGMWHVNGNZ-LEUOFYLZSA-N 420.340 -0.086 50 20 HBGD CCC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CC(=O)NC1=O 1793829913 OVDYTVLYUHTDFU-NWJSVONSSA-N 400.863 -0.465 50 20 HBGD C[C@H](O)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819801156 ZMVBOTCSFXMEBH-DTWKUNHWSA-N 404.452 -0.252 50 20 HBGD CC(=O)NCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830726920 WQTKPASCJDRCQX-KDOFPFPSSA-N 419.906 -0.795 50 20 HBGD O=C1NC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)O1 1831573724 RDMLMUNQYZENIL-IMSIIYSGSA-N 424.223 -0.758 50 20 HBGD O=C(NC1CCN(C2CCN(C(=O)CCn3ccnn3)CC2)CC1)[C@@H](O)CCl 1833312746 AZVQCMILMZOUGZ-INIZCTEOSA-N 412.922 -0.161 50 20 HBGD O=C(NC1CCN(C2CCN(C(=O)c3cc(CO)on3)CC2)CC1)[C@@H](O)CCl 1833313539 KWLSJLVAXURGMS-INIZCTEOSA-N 414.890 -0.048 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)nn3)CCO2)C1 1833837088 OGRRWWONQPNONW-SJKOYZFVSA-N 414.846 -0.494 50 20 HBGD O=C1C[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)CCBr)C3)C2)CN1 1839868515 RABJYBUPIQRKIT-LRDDRELGSA-N 418.288 -0.636 50 20 HBGD O=C(c1cccn2c(O)nnc12)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011070 MDWXWYRDYNMHHN-UHFFFAOYSA-N 421.222 -0.755 50 20 HBGD CCOC(CC(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2)OCC 1846477692 FNPVEHWZXLQIPA-UHFFFAOYSA-N 404.272 -0.027 50 20 HBGD CC1CCC2(CC1)NC(=O)N(CC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)C2=O 728385578 ZCJMGCDGPJWRPP-CSJGVYOVSA-N 400.457 -0.931 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(Br)cc1 728509538 HPQMBDYNFHGGFE-SSDOTTSWSA-N 400.276 -0.304 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCN2CCSCC2)c1 732892188 USKJWTCDISRWOL-UHFFFAOYSA-N 415.541 -0.070 50 20 HBGD Cc1nnc2n1C[C@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)CC2 750714045 IFSSRSOLLIZROM-CYBMUJFWSA-N 406.468 -0.140 50 20 HBGD C[C@@H]1CN(C(=O)Cn2cc(NC(=O)NNC(=O)c3cnccn3)cn2)C[C@@H](C)O1 756836568 BOSBGHYZXOWUFE-VXGBXAGGSA-N 402.415 -0.225 50 20 HBGD CCc1nc(COc2ccc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc2)no1 758050946 DKXZGGYQVFMUEN-JTQLQIEISA-N 411.440 -0.090 50 20 HBGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 763534980 NEBITYQFNZUWDL-LBPRGKRZSA-N 421.520 -0.097 50 20 HBGD CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 763575242 RVUHWGMHFCHLRQ-ZDUSSCGKSA-N 417.378 -0.477 50 20 HBGD O=C(NNC(=O)C1CCC1)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 764334326 DDCLLHMJZNZMGO-INIZCTEOSA-N 416.434 -0.413 50 20 HBGD O=C(NNC(=O)c1cnccn1)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 776061380 INISJWCONBFCGV-UHFFFAOYSA-N 407.412 -0.641 50 20 HBGD Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 920745640 NOGFXUFUEBGAID-JGWKKKPCSA-N 423.430 -0.364 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3nccs3)CCO2)C1 1779030905 KBODTFQRYKFSJN-GOSISDBHSA-N 416.463 -0.101 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)[C@H]1CCCCO1 1783610841 SNELBYSZPGJYSC-KANFNMMFSA-N 416.283 -0.471 50 20 HBGD C[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1)C1(O)CCC1 1783933314 UPMLLAHGRSEZIK-KXBFYZLASA-N 410.515 -0.260 50 20 HBGD CN[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CO[Si](C)(C)C)C[C@@H]21)C(=O)O 1786895848 RELHHOWVBLXXPA-AJNGGQMLSA-N 415.563 -0.120 50 20 HBGD O=C(Cc1ccc2ncnn2c1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1789714803 UTXCREAVVMUXDZ-JONQDZQNSA-N 421.885 -0.149 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)C(Cl)Cl 1801015438 ABVZKKXWBIBYMV-PTEHBNRSSA-N 401.055 -0.627 50 20 HBGD CCOC(=O)C1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)CC1 1801485890 KCNHJFZNYBPMCN-BJWYYQGGSA-N 414.267 -0.039 50 20 HBGD C[C@H](NC=O)C(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807367158 QWPYSDPURPVFPG-UCLAIMLFSA-N 424.266 -0.785 50 20 HBGD O=C(c1ncc(Cl)cn1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830724438 HHJZKRZGNOXGCZ-MLGOLLRUSA-N 419.265 -0.200 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnn(C)c3)C2)C1 1840156206 KIVGEVTXYIINGW-QAPCUYQASA-N 414.890 -0.327 50 20 HBGD C[C@H](C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2)N1C[C@H]2C[C@H]2C1 1844190978 VOIDNOUMGXKGBL-KFWWJZLASA-N 412.494 -0.158 50 20 HBGD CC(C)(C)n1cc(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)nn1 1844804164 RQVYTCSHINOAKU-UHFFFAOYSA-N 411.271 -0.156 50 20 HBGD O=C1Cc2cccc(C(=O)N3CCCC34CN(C(=O)c3ccc(B(O)O)cc3)C4)c2N1 1845664569 NQWGFMBCLZRINP-UHFFFAOYSA-N 419.246 -0.008 50 20 HBGD CSc1nc2nc(C)c(CC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c(C)n2n1 729275046 JWRYHZLOIQIAQR-MRVPVSSYSA-N 415.501 -0.909 50 20 HBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C 747904035 DVQFUUNAOWBTSZ-UHFFFAOYSA-N 404.427 -0.994 50 20 HBGD COc1ccc(C(=O)NNC(=O)COC(=O)c2cc(C(N)=O)cn2C)cc1OC 756686011 QAXKPVNJJMHUGZ-UHFFFAOYSA-N 404.379 -0.241 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 758030204 PDTYHSMLWMCAQN-WDEREUQCSA-N 408.477 -0.903 50 20 HBGD CSc1cccc(N2C[C@H](C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)CC2=O)c1 758035944 OPPREARLCYUXBI-GHMZBOCLSA-N 414.509 -0.154 50 20 HBGD COC(=O)c1cc(F)ccc1S(=O)(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 759088530 GMIGROGGZHBXKZ-SECBINFHSA-N 409.417 -0.708 50 20 HBGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)Cc2cccnc2)[C@H](C)O)cc1 779512201 OEIMLNVFMZHRRC-GUYCJALGSA-N 406.464 -0.192 50 20 HBGD CN(C)CC(=O)NNC(=O)CCNS(=O)(=O)c1cccc(Br)c1 1116062332 QEDCBWVCQFHJMO-UHFFFAOYSA-N 407.290 -0.174 50 20 HBGD N#Cc1cccc(C(=O)NNC(=O)CN2CCN(C(=O)N3CCOCC3)CC2)c1 1340735533 KWIQEVYJWCGMOT-UHFFFAOYSA-N 400.439 -0.611 50 20 HBGD CN1CCCC[C@@H]1C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1781027693 NXDYBEHYMJAGDA-WIYYLYMNSA-N 415.299 -0.706 50 20 HBGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)CN(CCO)CCO)C2)C1 1783257110 VQQNSUSCFXLHFI-MAUKXSAKSA-N 405.923 -0.490 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(F)cn1C)CCO2 1783935631 WVMUWLQICLLTOI-IBGZPJMESA-N 409.462 -0.019 50 20 HBGD O=C(CCN1CCCC1)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1785671485 SUXDMCPNONDEDH-OAQYLSRUSA-N 415.299 -0.704 50 20 HBGD N[C@@H](Cc1cscn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1787396720 AZQBDGYYZYEZQF-RCXZEQIESA-N 416.931 -0.408 50 20 HBGD COC(=O)C1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)CC1 1791293328 VSNXFWCDRBGNHG-KKUMJFAQSA-N 424.498 -0.708 50 20 HBGD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)on1 1794780190 ZLOKTNPRJITJDN-DRXBFXEBSA-N 414.422 -0.501 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCCCC1)C2)c1ccc(B(O)O)cc1 1795734832 WRLKXAVYROBQCS-XEMDLRDOSA-N 415.299 -0.945 50 20 HBGD Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)on1 1795737338 SYJJPEBYZQZHJN-CCWDJLKJSA-N 413.239 -0.891 50 20 HBGD C=CCC(F)(F)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795741261 PTGLQRLJRFAXMT-MIFYACCESA-N 408.210 -0.219 50 20 HBGD NC(=O)CC[C@H](N)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](O)CCl)CC2 1814800236 HOIHSDMAOLMFFK-NRPADANISA-N 403.892 -0.752 50 20 HBGD O=C(Cn1cnnn1)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1817616143 QFCRRCAJWUFINL-HNNXBMFYSA-N 424.230 -0.918 50 20 HBGD C[C@@H](CBr)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](N)CN)CC2)CC1 1833263117 BARFOBOFJFONOT-WFASDCNBSA-N 418.380 -0.125 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@]2(C1)CN(C(=O)C1CCCC1)CCO2 1834646521 WAMYYCJWEDSGJZ-NRFANRHFSA-N 416.283 -0.373 50 20 HBGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@@H](NC)C(=O)O)CCO2)C1 1835762310 JEMCCSOXRYFAIL-AHIWAGSCSA-N 405.879 -0.477 50 20 HBGD O=C(c1ccc2nncn2c1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837011424 BJSPFAZOPQVQIH-KSSFIOAISA-N 423.857 -0.601 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cc[nH]n3)CCO2)C1 1839723368 SJZXECCTQWVNLS-PBHICJAKSA-N 400.863 -0.338 50 20 HBGD CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)C1 728461261 VGFWSSAVJURQIS-WFASDCNBSA-N 422.463 -0.234 50 20 HBGD O=C(NNC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1)c1ccc(-n2cnnn2)cc1 729629124 OOZJEPDCVPAQQC-AWEZNQCLSA-N 414.407 -0.847 50 20 HBGD C=CCN1C(=O)C(=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)c2ccccc21 730569332 VFBPRLLZSSPWGI-UHFFFAOYSA-N 414.447 -0.376 50 20 HBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)Cn2ccccc2=O)CC1 735117101 BFWGKLBKURYGFQ-UHFFFAOYSA-N 406.468 -0.677 50 20 HBGD COc1ccnc(NNC(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)n1 741426553 UNVSOAPZXBGLLB-UHFFFAOYSA-N 410.460 -0.302 50 20 HBGD Cc1cccc(C(=O)NNC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)c1 756752131 SFPRLEDABKCBTD-GFCCVEGCSA-N 423.451 -0.600 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1c(-c2cnn(C)c2)nc2ccccn12 757662291 FHGZHUFXHJKGDG-SNVBAGLBSA-N 420.455 -0.175 50 20 HBGD CCN(CC)Cc1ccc(C(=O)NNC(=O)CN2CCN(S(C)(=O)=O)CC2)o1 759747118 NBZSHJOVEXWZAX-UHFFFAOYSA-N 415.516 -0.540 50 20 HBGD C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNC(=O)CSc1ccccc1O 764046599 HCSYSJLQFGFSFK-SNVBAGLBSA-N 413.481 -0.268 50 20 HBGD Cc1c(Br)cccc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764226254 HGMWQDVIILFPQB-MRVPVSSYSA-N 421.273 -0.219 50 20 HBGD Cn1cnn(-c2ccc(NC(=O)C(=O)NNC(=O)CCc3ccccc3O)cc2)c1=O 764277621 GCWFPQSHGZAPNW-UHFFFAOYSA-N 424.417 -0.005 50 20 HBGD CN(C)S(=O)(=O)c1ccc(O)c(C(=O)NNC(=O)CNC(=O)c2cccnc2)c1 768721107 IMXUMOVKLNVREJ-UHFFFAOYSA-N 421.435 -0.772 50 20 HBGD Nc1ccccc1S(=O)(=O)NCC(=O)NNC(=O)c1ccc2c(c1)OCCO2 774330196 PWTKLPWEZYNUAV-UHFFFAOYSA-N 406.420 -0.221 50 20 HBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCCNC(=O)c1cc[nH]n1 779964764 IXCMQQOAWMDOAE-UHFFFAOYSA-N 422.471 -0.615 50 20 HBGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1cnn(-c2ccccc2)n1 784007772 GELMBOBSGCEFJW-UHFFFAOYSA-N 413.419 -0.155 50 20 HBGD CCOC(C)(OCC)C(=O)NNC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 788005999 DHBYCOCHIIGAFJ-UHFFFAOYSA-N 412.447 -0.316 50 20 HBGD COC(=O)COc1ccc(C=NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1[N+](=O)[O-] 788713833 JCYXCDANZCOKFD-SECBINFHSA-N 402.385 -0.466 50 20 HBGD CO[C@@H](C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1)c1cnn(C)c1 799100084 LHILJBOKVHWULM-OAHLLOKOSA-N 423.499 -0.418 50 20 HBGD COc1ccc(C(=O)NNC(=O)COC(=O)c2ccoc2CC(N)=O)cc1OC 803938786 BSJGVDIQKJXJMT-UHFFFAOYSA-N 405.363 -0.057 50 20 HBGD O=C(NNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)c1ccc([N+](=O)[O-])cc1 914831960 XKNOABRCUVKNGL-DGCLKSJQSA-N 410.408 -0.609 50 20 HBGD CCCNC(=O)NNC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 921042698 LLJNFHJKTAGEDO-UHFFFAOYSA-N 414.484 -0.001 50 20 HBGD C=CCS(=O)(=O)CCNC(=O)NNC(=O)c1csc(N2CCOCC2)n1 1342159732 BYNSSQJONUIBLY-UHFFFAOYSA-N 403.486 -0.476 50 20 HBGD CS(=O)(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781335088 SKJGMDPLJBBOME-YPMHNXCESA-N 415.281 -0.059 50 20 HBGD CC(C)N(C)CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1784772144 ZURXPJQJZJJVCX-HXUWFJFHSA-N 403.288 -0.850 50 20 HBGD CC(=O)C[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1791216859 LUUWURVCSJMUNT-FDARSICLSA-N 416.283 -0.425 50 20 HBGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCC(=O)NC3)C[C@@H]21 1791250456 FUABMVCYLIKYLL-LXFSFDBISA-N 401.891 -0.254 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)c1nn[nH]c1C(F)(F)F 1798711626 TYOBCUHFXDBICR-BZNPZCIMSA-N 411.768 -0.374 50 20 HBGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)C=CC1=O 1801121039 SIKVAMFXQKWSDD-ZVXAKGHKSA-N 414.256 -0.716 50 20 HBGD O=C(Cn1ccncc1=O)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@H]1c1cccnc1 1812340224 YAACDMYIKCJVNJ-MPGHIAIKSA-N 419.869 -0.056 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)C(=O)N(C)C)[C@H]1c1cccnc1 1813071421 PWTNXPLBCPCOAM-QAPCUYQASA-N 418.498 -0.451 50 20 HBGD CC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](Cl)COC)C2)C1 1830334737 RQRSCMXDZMZKBK-RKVPGOIHSA-N 419.906 -0.389 50 20 HBGD Cn1nc(C(=O)NC2CCN(C3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)cc1O 1833942401 FUZWTFXVQYXDFL-HNNXBMFYSA-N 413.906 -0.089 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cncn1)CCO2 1836136487 ZTKHJRWGHBJSID-KRWDZBQOSA-N 411.535 -0.414 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3c[nH]c(=O)cn3)CCO2)C1 1838643029 XVUBQHHDJBXGTR-SJKOYZFVSA-N 414.846 -0.906 50 20 HBGD CN(C)C(=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1839152297 VFWAIHLKSDHYER-HOTGVXAUSA-N 410.298 -0.233 50 20 HBGD C[C@H](NC=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1839160258 QMLUKXPJKXBNDX-WFASDCNBSA-N 406.277 -0.638 50 20 HBGD O=C([C@H](O)CCl)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839198454 DTJKPVNOLQTRKF-NRUUGDAUSA-N 417.659 -0.267 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2cc3cccnn3n2)C1 1844629478 FOFJULRGIAUTRC-UHFFFAOYSA-N 405.223 -0.460 50 20 HBGD CCOC(=O)C(C)(C)C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1847042417 ZTUUPFPIXPGACY-UHFFFAOYSA-N 402.256 -0.227 50 20 HBGD C[C@H](CBr)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)N1CCOCC1 1847498925 RTDOLWPHZXDGMO-UKTARXLSSA-N 404.305 -0.130 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CCN2C(=O)CCC2=O)cc1 139767093 SBXKQOZNCNKLIV-UHFFFAOYSA-N 410.452 -0.698 50 20 HBGD CCOc1cc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)ccc1O 254863266 KAJLORMDUJXJHX-UHFFFAOYSA-N 400.395 -0.312 50 20 HBGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@@H]2CCCCN2S(C)(=O)=O)n1 728727850 MTCPDYWYFLCPIY-NSHDSACASA-N 418.497 -0.501 50 20 HBGD CC(=O)N1CCC[C@@H](C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)C1 735117944 JUIMIRHZAPOKMZ-OAHLLOKOSA-N 424.527 -0.281 50 20 HBGD CS(=O)(=O)N1CCC(CNC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CC1 748827054 CQUNMKFQSPTGAO-HNNXBMFYSA-N 412.468 -0.172 50 20 HBGD COC(=O)c1cc2c(cc1NC(=O)C(=O)NN[C@@]1(C)CCS(=O)(=O)C1)OCO2 753853384 RXGKWCYTMZGPOW-INIZCTEOSA-N 413.408 -0.662 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H](c1ccccc1)N1CCSCC1 758038396 DRHXQVDRHHJJJL-JSGCOSHPSA-N 400.526 -0.138 50 20 HBGD CCOc1ccc(-n2ncc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c2C)nn1 758047191 VZFOYUMDEJBMFJ-VIFPVBQESA-N 411.444 -0.932 50 20 HBGD C[C@@H](C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1)S(=O)(=O)C1CCOCC1 767489286 SYVWCWPBTITLAA-LBPRGKRZSA-N 423.447 -0.155 50 20 HBGD O=C(O)c1cc(S(=O)(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc(Cl)c1F 767735184 FJOMIUPAPNBRSN-LURJTMIESA-N 414.820 -0.079 50 20 HBGD Cn1cc(S(=O)(=O)NNC(=O)CNC(=O)OCc2ccccc2)cc1C(N)=O 794597263 PHVJIVHMCHFFIG-UHFFFAOYSA-N 409.424 -0.640 50 20 HBGD Cn1c(=O)c2c(ncn2CCC(=O)NNc2ccc3c(=O)[nH]ccc3c2)n(C)c1=O 803438359 NUDARSLKFXZPSW-UHFFFAOYSA-N 409.406 -0.191 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1nc2c(s1)CCCC2(C)C 810386965 ZERDDTCXZAWZFF-QMMMGPOBSA-N 417.513 -0.219 50 20 HBGD COCCOCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 811880755 PDSBIHFGTJVFRH-UHFFFAOYSA-N 401.441 -0.869 50 20 HBGD CS(=O)(=O)CC1CCN(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CC1 1261232616 NLHOOUSLTXDCGS-UHFFFAOYSA-N 407.456 -0.227 50 20 HBGD O=C(C[C@H]1CCS(=O)(=O)C1)NNc1ccccc1S(=O)(=O)N1CCOCC1 1318941133 HSWGCFFLPPESRR-CYBMUJFWSA-N 417.509 -0.025 50 20 HBGD C[C@H](NC(=O)c1ccccn1)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1782667256 TXNHEGTUMZPKFC-OHNRDTAOSA-N 424.885 -0.371 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc4ncnn4c3)C[C@@H]21)[C@@H](O)CCl 1784092672 LUZHZIFCYVDLFX-VGWMRTNUSA-N 421.885 -0.149 50 20 HBGD CC[C@H](C)[C@H](N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786979573 ZWXORESPSRNKSP-SKMQDVENSA-N 417.315 -0.667 50 20 HBGD Cc1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786979973 VKZDSYMAIQQRJX-VDGAXYAQSA-N 423.278 -0.023 50 20 HBGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)NC3)C[C@@H]21 1791250457 FUABMVCYLIKYLL-QTVXIADOSA-N 401.891 -0.254 50 20 HBGD CC(=O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795732914 QMSMFJCPOIBISL-SCAQPMJSSA-N 402.256 -0.815 50 20 HBGD O=C(O)c1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)ncn1 1796188309 NWFPGFYVGQMAEW-QDMKHBRRSA-N 424.222 -0.580 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cn2ncccc2n1)c1cccc(B(O)O)c1 1797569954 WCUQDOSRLPMXAX-BJWYYQGGSA-N 419.250 -0.025 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CC(=O)NC3=O)CCO2)C1 1832480505 OHTXZXOUHANOHD-PXAZEXFGSA-N 416.862 -0.988 50 20 HBGD CC(C)(C)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835929444 PBRUASGMJYAWNS-NRFANRHFSA-N 418.299 -0.127 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccnc3)C2)C1 1840150450 MJSHXCDHNPDVCA-WMLDXEAASA-N 400.863 -0.407 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CC1)CCO2 1840636095 HPOZSHGMUKTWRQ-LJQANCHMSA-N 403.439 -0.835 50 20 HBGD COc1cccc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1OC 254489000 NDHXKVOLLUOOOJ-UHFFFAOYSA-N 400.395 -0.399 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] 728510049 DJSPWBIGYRPVMO-ZCFIWIBFSA-N 400.822 -0.505 50 20 HBGD Cc1nc(S(=O)(=O)NCC(=O)NNc2nc3ccccc3c(=O)n2C)cn1C 733263643 ONURWSMLWPCXJR-UHFFFAOYSA-N 405.440 -0.603 50 20 HBGD O=C(CNC(=O)N1CCc2ccccc2C1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 735039916 HGBNZZPWKSXXHE-AWEZNQCLSA-N 409.468 -0.728 50 20 HBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2nccnc2C(N)=O)c1 746093982 WLRIGNVRYUQVNJ-UHFFFAOYSA-N 420.451 -0.319 50 20 HBGD O=C(CC[S@@](=O)c1ccc2c(c1)OCCO2)NNC(=O)[C@H]1CCS(=O)(=O)C1 746102364 ASRVCYDHGWTESK-KPHLJTLVSA-N 416.477 -0.462 50 20 HBGD CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(O)c([N+](=O)[O-])c1 749625433 BFVNOLDCCUCDIS-UHFFFAOYSA-N 415.366 -0.412 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CCOC1CN(C(=O)OC(C)(C)C)C1 758049092 YFLZVGGGILPRNS-JTQLQIEISA-N 408.477 -0.903 50 20 HBGD COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)C(=O)Nc2ccccn2)cc1 758826902 HTPZTLVBIWGLIB-NSHDSACASA-N 421.435 -0.457 50 20 HBGD Cc1cccc(OCC(=O)NNC(=O)C(=O)Nc2ccn(CC(=O)N(C)C)n2)c1 763618504 AXTFGKNYECWWTE-UHFFFAOYSA-N 402.411 -0.555 50 20 HBGD Cc1cccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)c1 763630296 JNCQXBZNJDSARM-UHFFFAOYSA-N 406.420 -0.042 50 20 HBGD O=C(CNC(=O)c1cccnc1)NNC(=O)CNC(=O)N1CCc2ccccc2C1 764344542 YSVXLPQMNCFWGQ-UHFFFAOYSA-N 410.434 -0.273 50 20 HBGD CCn1c(=O)c(=O)[nH]c2cc(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)ccc21 778445808 RMXAXGIEXIPXOZ-UHFFFAOYSA-N 405.411 -0.005 50 20 HBGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 784000138 OIBZUBCLPQZNEI-HNNXBMFYSA-N 404.423 -0.047 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1ccc(O[C@H]2CCOC2)cc1 784004210 KTXWQENTJSERTD-AWEZNQCLSA-N 416.390 -0.037 50 20 HBGD COCCOc1ccc(F)cc1NC(=O)C(=O)NNC(=O)CNC(=O)c1ccco1 784004405 MQSRIAPJNDQFJH-UHFFFAOYSA-N 422.369 -0.040 50 20 HBGD CCN(CC)CC(=O)Nc1cccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)c1 806980680 UOTYGLBDHJTIOI-OAHLLOKOSA-N 421.454 -0.532 50 20 HBGD Cc1noc(C)c1S(=O)(=O)NCC(=O)NNc1nccc(N2CCOCC2)n1 810559650 YSAXVHUVTMPCHL-UHFFFAOYSA-N 411.444 -0.660 50 20 HBGD O=C(CO)NNC(=O)C(=O)Nc1ccc([N+](=O)[O-])c(I)c1 815571109 VDDRSNQNCNESJH-UHFFFAOYSA-N 408.108 -0.722 50 20 HBGD Cc1cc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)nc2ccccc12 1319201115 MYLWKOJUKXUTFB-UHFFFAOYSA-N 421.417 -0.248 50 20 HBGD COC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781331088 DCOOQXORSKEMDB-HUBLWGQQSA-N 424.267 -0.342 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)Cc3cc[nH]n3)C2)C1 1782792394 RMRKVHRXGBUQIT-IBGZPJMESA-N 413.438 -0.906 50 20 HBGD CC(=O)C[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1783826016 WFBLBKAUKRYGDV-XOBRGWDASA-N 402.256 -0.575 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)c3cccnc3)CCO2)C1 1783873816 UZORKYPBALMIRK-HNAYVOBHSA-N 424.885 -0.105 50 20 HBGD CN1N=C(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](F)Br)C3)CCC1=O 1793787893 MYFXJTOCFOHMSA-FQPOAREZSA-N 419.251 -0.125 50 20 HBGD O=C(O)c1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)ncn1 1796190726 DXDCYWZNRKZJMT-QDMKHBRRSA-N 424.222 -0.580 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC3(F)F)C2)C1 1835930563 NGLVTOUCYGOKKU-YJBOKZPZSA-N 424.209 -0.908 50 20 HBGD O=C(Cn1cncn1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1836138148 ZDISUJKCDMNKFG-OCCSQVGLSA-N 420.239 -0.575 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c[nH]c(=O)cn3)CCO2)C1 1838643028 XVUBQHHDJBXGTR-SJCJKPOMSA-N 414.846 -0.906 50 20 HBGD O=C(Cn1nccn1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1839237416 HWFSMZMVRBNMMH-JSGCOSHPSA-N 420.239 -0.575 50 20 HBGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(C)C(=O)C(=O)O)CCO2)C1 1839703933 NZHSESMFYAERLQ-YVEFUNNKSA-N 419.862 -0.997 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccn3)C2)C1 1840152154 ZBTUKRJECRUMKW-YOEHRIQHSA-N 400.863 -0.407 50 20 HBGD O=C(C1CCC(O)CC1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840273197 ONBILFQQUYAKRP-PPPKJHQXSA-N 404.891 -0.406 50 20 HBGD COCCOCCOCCOCC(=O)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841353812 QVEUZVNUNZQAJB-HNNXBMFYSA-N 422.906 -0.514 50 20 HBGD O=C([C@H](F)Br)N1CC2(CCCN2C(=O)c2cc(=O)n3[nH]cnc3n2)C1 1843009413 SKLHZRRQRLVLHQ-JTQLQIEISA-N 413.207 -0.075 50 20 HBGD COc1cc(C(=O)NNC(=O)NCCCN(C)S(C)(=O)=O)cc(OC)c1OC 46981975 MEHVWIGQMBCFTO-UHFFFAOYSA-N 418.472 -0.062 50 20 HBGD Cc1cccc(C(=O)NNC(=O)COC(=O)C2=NC=CN3CCS(=O)(=O)N=C23)c1 744467320 DMCSFVSDYGDDCG-UHFFFAOYSA-N 419.419 -0.731 50 20 HBGD Cn1nc(SCC(=O)NN=Cc2cn(-c3ccccc3)nn2)c(=O)n(C)c1=O 755620350 XJBOSAKHMFEOGO-UHFFFAOYSA-N 400.424 -0.698 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ncoc1-c1ccc2c(c1)OCCO2 758027726 WVUFQWIWYHJGQJ-SECBINFHSA-N 410.408 -0.189 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CN(C[C@@H]1CCCO1)C(=O)OC(C)(C)C 758044936 AUOYNGARTFLCAT-RYUDHWBXSA-N 422.504 -0.512 50 20 HBGD CC(C)NC(=O)CNC(=S)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 764518627 GOJUGKYKQHDSJL-UHFFFAOYSA-N 420.539 -0.536 50 20 HBGD CSc1ccccc1CC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 776985106 XCQRAFVWYZHGQF-UHFFFAOYSA-N 416.463 -0.454 50 20 HBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)c1ccncn1 777412537 RDRLXODQXOVJQF-UHFFFAOYSA-N 419.463 -0.109 50 20 HBGD COC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)c1 784002181 LRXPTNAPHCOGCI-UHFFFAOYSA-N 418.362 -0.653 50 20 HBGD C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)NCc1ccccc1 787596154 ITZIPNYZVTXVJP-LBPRGKRZSA-N 419.463 -0.017 50 20 HBGD O=C(CN1CCCC1=O)NNC(=O)CN1C(=O)c2ccc(Br)cc2C1=O 789858363 WPIHFYXHTIETRY-UHFFFAOYSA-N 423.223 -0.185 50 20 HBGD CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NNC(=S)NC(C)C)s1 1116179408 RBBGBSBGCPNFNM-UHFFFAOYSA-N 407.543 -0.434 50 20 HBGD C[C@@H](C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(S(C)(=O)=O)cc1 1319164178 NZGJZHJTGSLXCW-PWSUYJOCSA-N 403.482 -0.289 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3cnccn3)CCO2)C1 1779029514 YLHICDDPIXMOCK-IBGZPJMESA-N 411.422 -0.768 50 20 HBGD C[C@@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3ccncc3=O)C2)C1 1782664983 VRNLJKLFOIDIFU-MLGOLLRUSA-N 413.272 -0.143 50 20 HBGD Cn1cncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1786125121 JNCARIARGVGLLU-ZVZYQTTQSA-N 412.255 -0.993 50 20 HBGD CC(C)c1nc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)no1 1793995994 DJYLAUBZFSGRFQ-NWJSVONSSA-N 400.863 -0.075 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CN 1795511227 KAPVMHSYTHXRPV-XIFNJIBBSA-N 404.471 -0.695 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncon1 1798350836 ZJESPXHIZNVZCI-HHWKFWCUSA-N 415.410 -0.593 50 20 HBGD C[C@@H](Br)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(=O)n3[nH]nnc3n1)C2 1801960997 CZEORKCJHOBXKJ-DOLQZWNJSA-N 424.259 -0.152 50 20 HBGD O=C([C@H](O)CCl)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)CC1 1824899354 RVWVKYDOYUPINN-UONOGXRCSA-N 414.890 -0.242 50 20 HBGD CCOCC(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1834482204 URZUFKNQRTVQOK-UHFFFAOYSA-N 417.315 -0.412 50 20 HBGD O=C(CN1CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1835372315 KPUXMJCIZLUROC-MAUKXSAKSA-N 403.907 -0.472 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839144074 PNWLBBXEMSZXJZ-QFBILLFUSA-N 424.690 -0.546 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=N)N)C2)C1 1839151685 ARGMRYRTHUFQNF-GJZGRUSLSA-N 410.302 -0.838 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)no3)C2)C1 1840153470 PMILDSHVADLAJZ-BZNIZROVSA-N 403.819 -0.296 50 20 HBGD CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)c1cnn[nH]1 729455948 IERWFYCCSKLOIB-JTQLQIEISA-N 416.460 -0.195 50 20 HBGD Cc1ccc(S(=O)(=O)NCC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1C 732307547 JYHDFIRFFXPTPK-GFCCVEGCSA-N 403.482 -0.836 50 20 HBGD COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)NNC(=O)N(C)C)cc1 746001339 KOTBJRLHXDOARM-UHFFFAOYSA-N 402.473 -0.114 50 20 HBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)CC[C@@]2(C)CCC(=O)N2)CC1 753417145 RQTGIXXLWYSPTK-GOSISDBHSA-N 424.527 -0.090 50 20 HBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 772186759 QBVZJUJEJRMGMH-JOYOIKCWSA-N 421.859 -0.532 50 20 HBGD CCC(=O)N1CC[C@H](C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)C1 773219914 AHSBHAUPMUHKHP-WFASDCNBSA-N 405.407 -0.225 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NN=c3cc[nH]cc3)cc2)CC1 783378747 LWRRNFUEGNTRAN-UHFFFAOYSA-N 418.479 -0.479 50 20 HBGD CN(NC(=O)CC[C@H]1NC(=O)NC1=O)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 783705293 VVYYZBOZZQUMKR-LLVKDONJSA-N 412.447 -0.390 50 20 HBGD COc1ccc(C(=O)NNC(=O)COC(=O)CCn2cnccc2=O)cc1OC 796310286 FDTSWLUJQHPLFL-UHFFFAOYSA-N 404.379 -0.345 50 20 HBGD Cc1csc(CC(=O)NNC(=O)CN2CCC[C@@H](CNS(C)(=O)=O)C2)n1 917104174 HIEUYLQCAXXNKB-LBPRGKRZSA-N 403.530 -0.597 50 20 HBGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1ccc(-n2cnnn2)cc1 918711168 RHAVWNJAWUDMSG-UHFFFAOYSA-N 415.439 -0.913 50 20 HBGD CCOC(=O)NCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 920429909 DGIJPZPOKOSBJF-UHFFFAOYSA-N 414.440 -0.785 50 20 HBGD O=C(CNC(=O)C(F)(F)F)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1783976456 XGMWJLDPOMVHCS-RNCFNFMXSA-N 401.769 -0.906 50 20 HBGD COC(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)cn1 1792978154 HBDMXWRCPMJSRU-NEBZKDRISA-N 411.842 -0.329 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccncc1F 1796722890 GPZJIILWXJOGHT-ZSBFGKGUSA-N 413.214 -0.583 50 20 HBGD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)ccn1 1797751585 JSUMZMIBAVLFQK-JLVBRIDZSA-N 424.461 -0.094 50 20 HBGD CCc1oncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830724975 KQHLMHFULJVYDO-SUMWQHHRSA-N 401.847 -0.093 50 20 HBGD Cc1nn(C)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1F 1833702137 KXJCJKPSWSGTBY-YVEFUNNKSA-N 418.853 -0.463 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)CNC3=O)C2)C1 1839142286 LLRLDUJJPLBJBP-PXAZEXFGSA-N 416.862 -0.988 50 20 HBGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NC=O)CCO2 1839159073 OOTSUQDVCIHFRM-DVOMOZLQSA-N 420.304 -0.392 50 20 HBGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn(C)n3)C2)C1 1840031645 YENAPPBKOUCFDZ-ABAIWWIYSA-N 416.276 -0.332 50 20 HBGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1 1840033683 MUSAGHCRUWGABS-BMIGLBTASA-N 417.260 -0.898 50 20 HBGD Cc1nc(N)sc1C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1842967185 SYRLXNOQPHGPBA-UHFFFAOYSA-N 400.269 -0.156 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCC(=O)NC1 1847323558 YQQFHOUPOCXOPA-UGFHNGPFSA-N 400.439 -0.973 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CCCCCNC(N)=O)cc1 14844748 PAGCTZKQRMAVFH-UHFFFAOYSA-N 413.500 -0.008 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cccc(OC(F)(F)F)c1 728509727 LZLIEAXIKDCIHJ-SSDOTTSWSA-N 405.376 -0.168 50 20 HBGD CCOc1ccc(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1C(=O)O 728510791 UGVAMAZSRNXHMA-QMMMGPOBSA-N 409.442 -0.969 50 20 HBGD COCCCNC(=O)[C@H](C)N1CCN(CC(=O)NNC(=O)c2cccs2)CC1 728931341 AJFYEKJGLOWKEV-AWEZNQCLSA-N 411.528 -0.332 50 20 HBGD Cc1cc(C(=O)NNC(=O)Cn2cnc3ccccc32)nc2c1c(=O)n(C)c(=O)n2C 737767010 OBPDLPXRJHRIBM-UHFFFAOYSA-N 421.417 -0.248 50 20 HBGD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NNC(=O)C(=O)N1CCCC1 748360463 PNULMFFSXAHVQD-UHFFFAOYSA-N 413.412 -0.967 50 20 HBGD COCCO[C@@H](C)C(=O)NNC(=O)NCc1ccc(C(=O)N2CCN(C)CC2)cc1 748622914 XGZVGWSQFPEEEQ-HNNXBMFYSA-N 421.498 -0.044 50 20 HBGD COCC[S@](=O)Cc1cccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 756615135 WJKZWRQPUUIGDW-QYOLQKOISA-N 420.513 -0.328 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3ccnnc3)CC2)cc1 756785850 GVDGZTUFKXNMBN-UHFFFAOYSA-N 418.479 -0.447 50 20 HBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 772168732 ZVMYSKYAVZSBNH-NSHDSACASA-N 413.452 -0.316 50 20 HBGD NS(=O)(=O)c1ccc2c(c1)C(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)CCC2 811640187 OIRCKOSWYOLMAR-NSHDSACASA-N 400.482 -0.139 50 20 HBGD O=C(CN1CCCCC1=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 915129005 QMYBDQWJNUJMSU-UHFFFAOYSA-N 424.479 -0.519 50 20 HBGD Cc1ccc(CN2C[C@@H](C(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2=O)cc1 919886909 XGSVUZCLMHXSOW-LSDHHAIUSA-N 408.480 -0.139 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C[C@H]2C=CS(=O)(=O)C2)c1 1116200400 PVOCZXWOIDYEQO-LLVKDONJSA-N 401.466 -0.354 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ncc(Cl)cn1)CCO2 1783936414 NLGVTUKDEZCMOG-GOSISDBHSA-N 424.889 -0.054 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)n3)C[C@@H]21)[C@H](O)CCl 1784090709 LIDLYMBZGKYHNJ-XPXLGCRWSA-N 400.819 -0.919 50 20 HBGD CC[C@H](NC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](Cl)COC)[C@H]2C1 1791253918 FQIFCOZWVJARFQ-HPCHECBXSA-N 404.895 -0.333 50 20 HBGD Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)cn1 1794168993 WARJCSFQLIEYHX-RMFSNUHRSA-N 423.278 -0.484 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1cc2n(n1)CCCO2 1796191412 IKDUTMDIRHANJR-BJWYYQGGSA-N 424.266 -0.089 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn[nH]c1)C2 1796440287 KGTLAANUJKODGV-GRSZLDEUSA-N 413.438 -0.253 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncon1)C2 1796441750 XWHQDEVLXVWJTL-HHWKFWCUSA-N 415.410 -0.593 50 20 HBGD COCCn1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)n1 1796593532 UFVHZDMXQDKECA-AYRXBEOTSA-N 400.863 -0.668 50 20 HBGD CCOC(=O)N[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CO[Si](C)(C)C)C2 1797585630 DDURTYKIAHZUIJ-LMWOUKEDSA-N 417.535 -0.508 50 20 HBGD CN(C)C(=O)NCC(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@H]1c1cccnc1 1802676881 YTYMNOWRJUHBQZ-DZKIICNBSA-N 411.890 -0.042 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)C(=O)N(C)C)[C@@H]1c1cccnc1 1806949388 WTCFUZVVEJIXSA-QAPCUYQASA-N 418.498 -0.451 50 20 HBGD CNC(=O)CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1 1822410302 DVYOFGTWFZLEMR-CYBMUJFWSA-N 407.475 -0.089 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)CNC(N)=O)sc2C1 1828328980 LUGNWCQRXXGLOB-VIFPVBQESA-N 411.488 -0.904 50 20 HBGD O=C(c1cccc(=O)n1O)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1833478225 FWEHCJKHYPCAOR-MRXNPFEDSA-N 420.249 -0.041 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CSC(=N)N)CCO2 1835512484 MWEBNFYQMAEWBP-MRXNPFEDSA-N 418.592 -0.079 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]1(C)CCCN1)CCO2 1839124082 CXSDYMQKVMFTFZ-QGTPRVQTSA-N 403.907 -0.161 50 20 HBGD CC[C@@H](Br)C(=O)N1CCCC12CN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2 1846070256 ZIEDFVGDNKSANK-SECBINFHSA-N 424.259 -0.197 50 20 HBGD CC(=O)N1CCN(c2ccc(C(=O)NNC(=O)Cc3cc[nH]n3)cc2[N+](=O)[O-])CC1 730102288 MOPXNTBZNXSEBH-UHFFFAOYSA-N 415.410 -0.010 50 20 HBGD Cn1cc(C(=O)NNC(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)cn1 735514410 YOQUKQDGQKPLTA-UHFFFAOYSA-N 412.394 -0.074 50 20 HBGD Cc1ccc(C)c(OCC(=O)NNC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1 742471906 LBJKTDNNRQHBKB-HLNSBACISA-N 401.419 -0.008 50 20 HBGD COC(=O)c1cc(C)c(C)c(S(=O)(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 747603137 WSIGHJDAQLEWDU-NSHDSACASA-N 404.466 -0.166 50 20 HBGD CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNC(=O)c1ccncc1)CC2 763463029 UQBQKDBYJUKZIK-UHFFFAOYSA-N 417.447 -0.270 50 20 HBGD Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)NNC(=O)CN2CCCC2=O)c1C 789856902 MOGNNSMZAZMSIG-UHFFFAOYSA-N 410.496 -0.032 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1c(F)cccc1OC(F)(F)F 808089037 OOWVVCAHBFEBHF-LURJTMIESA-N 423.366 -0.029 50 20 HBGD CN(C)C(=O)NCC(=O)N1CCO[C@@]2(CCN(C(=O)CO[Si](C)(C)C)C2)C1 1779294892 RCWWCYMLXOOBIH-QGZVFWFLSA-N 400.552 -0.061 50 20 HBGD CC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN(CCO)CCO)C2 1780709104 FOLVZJXVXGFVDQ-GPMSIDNRSA-N 419.950 -0.196 50 20 HBGD CCN(C)[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1782609762 DFMIVVGOSOBUCJ-MGPUTAFESA-N 403.288 -0.850 50 20 HBGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1)C1(O)CCC1 1791287365 ZAMBQUNFWJJQEI-QZWWFDLISA-N 424.542 -0.110 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(C)(=O)=O 1795360662 LUJNKFZUPAMJAW-QPPBUOOMSA-N 401.312 -0.143 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(Cl)Cl)C2)c1cc(=O)n2[nH]cnc2n1 1795732326 RIFPZJNEFDWLSU-AKZRSSKFSA-N 415.237 -0.576 50 20 HBGD CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1799394033 RUPRFGPPPDKOGX-NYCLONFESA-N 417.271 -0.630 50 20 HBGD CCS(=O)(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(Cl)Cl 1801015290 BRFKIAHQKJAGAE-CHWFTXMASA-N 416.327 -0.293 50 20 HBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CNC(=O)C1 1801676293 QVQRAMBLQAWVBV-RVMXOQNASA-N 400.439 -0.927 50 20 HBGD N=C(N)NCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1826826575 ABUFGKMPYMMUEK-KRWDZBQOSA-N 415.303 -0.917 50 20 HBGD CCc1[nH]nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1F 1830724426 HCNXDLDTISNYDD-PXAZEXFGSA-N 418.853 -0.219 50 20 HBGD O=C(c1ccc(F)cn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830725582 QCZKSGCVLNDFMO-RHSMWYFYSA-N 401.822 -0.110 50 20 HBGD Cn1ncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1Cl 1830732602 UHLNCYFZLHRAKD-MLGOLLRUSA-N 421.281 -0.257 50 20 HBGD O=C(CCc1cnccn1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830739090 YKSQJQBQXJRANA-YJBOKZPZSA-N 412.874 -0.535 50 20 HBGD O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1840043799 UWDLWDFSBBLDBU-TZMCWYRMSA-N 407.192 -0.779 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(F)CCC1)CCO2 1840622283 DANZIRRLWNOUIA-GOSISDBHSA-N 414.478 -0.292 50 20 HBGD COCCOCCOCCOCC(=O)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841353813 QVEUZVNUNZQAJB-OAHLLOKOSA-N 422.906 -0.514 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)CS(=O)(=O)N2CCCC2)C1 1843414805 GGRPBXZJISJARP-CYBMUJFWSA-N 407.920 -0.131 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNC(=S)NC(C)(C)C)c1 28716743 UEQZUHWTLPEOEB-UHFFFAOYSA-N 415.541 -0.040 50 20 HBGD Cc1ccc(NNC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)nn1 730023130 LVAHWZSCXICWGY-UHFFFAOYSA-N 420.499 -0.042 50 20 HBGD CNS(=O)(=O)[C@@H]1CCCN(CC(=O)NNC(=O)c2ccc(OC)c(OC)c2)C1 733311226 PIBDJSMUDSWCQM-CYBMUJFWSA-N 414.484 -0.522 50 20 HBGD CN(C)CCN1C[C@@H](C(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1=O 733884458 BVTKIDDIDFGTAF-LBPRGKRZSA-N 410.500 -0.849 50 20 HBGD COc1ccc(C(=O)NNC(=O)CNS(=O)(=O)CCOC(C)C)cc1OC 747891278 YZOJXJLTEMVULV-UHFFFAOYSA-N 403.457 -0.191 50 20 HBGD Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NNC(=O)C(=O)NC(C)C)C1 757983692 BHAPRVYAZCNXTG-GFCCVEGCSA-N 415.472 -0.636 50 20 HBGD CCS(=O)(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2cnn(C)c2)c(OC)c1 761274732 WRDZGKIUCLRRII-UHFFFAOYSA-N 417.469 -0.186 50 20 HBGD CCNC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)Cn2nc(C)cc2C)cc1 763892068 UTXGBGMSKYYHFA-UHFFFAOYSA-N 416.438 -0.199 50 20 HBGD CC(C)Oc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c(F)c1 764234495 YKECEPWCMWQTAZ-SECBINFHSA-N 404.420 -0.364 50 20 HBGD Cc1ccnc2nc(C(=O)NNC(=O)CN3CCN(C(=O)c4ccccc4)CC3)nn12 765733947 SYJRJPKYPONVMN-UHFFFAOYSA-N 422.449 -0.348 50 20 HBGD COC(=O)c1cc(F)c(F)cc1NC(=O)C(=O)NNC(=O)CNC(=O)c1ccco1 784004063 HWALXWGUSOCIOP-UHFFFAOYSA-N 424.316 -0.140 50 20 HBGD COCc1nc(Cl)cc(NNC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)n1 807236560 BFIIHSQCARTUCC-MRVPVSSYSA-N 403.852 -0.180 50 20 HBGD CC(C)C(=O)N[C@@H](CO)C(=O)NN(C)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 813515753 AYEPHJXNTSDYHN-ZDUSSCGKSA-N 415.491 -0.245 50 20 HBGD COC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)CCc1ccc(OC)cc1 815568607 OHIRPBRIQIQZOC-UHFFFAOYSA-N 403.395 -0.066 50 20 HBGD CC(C)[C@@H](CNC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1)N1CCN(C)CC1 916258440 XGEMLLNPBKNSON-QGZVFWFLSA-N 415.502 -0.122 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ncc[nH]3)C[C@@H]21 1791292929 BQPZZTZVWFMUJR-JYJNAYRXSA-N 420.514 -0.305 50 20 HBGD C[C@@H](Cn1cccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1794212120 OELJFLWOMDRVPA-GGXPGOJBSA-N 420.514 -0.518 50 20 HBGD Cc1nnc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)s1 1801013423 VOWSLDWVYCFYHJ-IVWMJMPLSA-N 424.527 -0.648 50 20 HBGD O=C1NC(=O)[C@@H](CC(=O)N2CCC3(CCCN(C(=O)[C@H](O)CCl)C3)CC2)N1 1805517555 JFEIQIIDKHKOMA-VXGBXAGGSA-N 400.863 -0.585 50 20 HBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)[C@@H](O)CCl 1814870064 HXVXXRXPDMTGPC-CABCVRRESA-N 420.662 -0.005 50 20 HBGD O=C(c1cnn2ccncc12)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830728075 OOZXTXCTHYOFRB-MAUKXSAKSA-N 423.857 -0.601 50 20 HBGD O=C(c1cncc(F)c1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1834352655 HLSVGGIRKMNZCI-WMLDXEAASA-N 401.822 -0.110 50 20 HBGD O=C1CC[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)CCBr)CCO3)C2)N1 1834822235 DUKKCOHFTHHISO-BLLLJJGKSA-N 418.288 -0.494 50 20 HBGD CN[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1)C(=O)O 1835766900 YIVHOUGKKDBSPL-MEBBXXQBSA-N 412.270 -0.691 50 20 HBGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(N)=O)CCO2)C1 1840921622 IXVFELJFTQOGHO-IAQYHMDHSA-N 421.292 -0.715 50 20 HBGD Cc1nc2ncccn2c1C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011393 YHTMGRLGCGMNCK-UHFFFAOYSA-N 419.250 -0.152 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)Cn2cc(Cl)cn2)C1 1843027600 LIGGKJFJTDJRSK-UHFFFAOYSA-N 402.647 -0.267 50 20 HBGD CSCC[C@@H](O)C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844265203 FVKHYYCPZMKQAQ-CQSZACIVSA-N 407.496 -0.384 50 20 HBGD C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847434722 FWZQZFIYZOBTFF-VFTHGPRRSA-N 423.897 -0.033 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)N1CCN(C(=O)c2ccccn2)CC1 725870840 SZOOOLGSKGICQG-UHFFFAOYSA-N 400.395 -0.397 50 20 HBGD CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NNC(=O)C(=O)N2CCCC2)c1 748342788 HZGHJWFMDVPDEL-UHFFFAOYSA-N 410.452 -0.673 50 20 HBGD Cc1cc(N2CCCC2)ccc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764227435 OGDYBALUDOHZTC-GFCCVEGCSA-N 411.484 -0.381 50 20 HBGD CNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)COCc2ccccc2)cc1 764367104 IZXURMUWEDHBMD-UHFFFAOYSA-N 420.447 -0.103 50 20 HBGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)Cc2ccncc2)[C@H](C)O)cc1 779530108 HMHUOGDGFUCZES-GUYCJALGSA-N 406.464 -0.192 50 20 HBGD Cn1nc(SCC(=O)NN=C2CCC(=O)Nc3ccccc32)c(=O)n(C)c1=O 783821184 KLEOBVBMAHKVHM-UHFFFAOYSA-N 402.436 -0.176 50 20 HBGD CCOC(=O)c1ccc(C)c(S(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 788744477 SUSBZNVHDBGHFL-GFCCVEGCSA-N 404.466 -0.084 50 20 HBGD COc1ccc(CCC(=O)NNC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)cc1 792803719 VWHXBRFPOZVXQS-UHFFFAOYSA-N 424.435 -0.554 50 20 HBGD C[C@@H](C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1)n1cnc(C#N)n1 798744158 QHJBLCPMSFEVJD-GXFFZTMASA-N 400.351 -0.759 50 20 HBGD Cc1cc(Cn2nnc(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)c2C)on1 814249703 WKZJQTITPSMUDT-UHFFFAOYSA-N 408.382 -0.018 50 20 HBGD Cc1c(/C=C(\C#N)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)cc(C#N)n1C 921164937 BBPWSPBZZWLRKY-MHWRWJLKSA-N 404.496 -0.194 50 20 HBGD O=C(CCO)NNC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1321215060 KAUZZIPFKRSTSJ-UHFFFAOYSA-N 406.848 -0.104 50 20 HBGD CC(C)(C)NCC(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779031681 VMONHCMZORQPPL-HXUWFJFHSA-N 418.498 -0.483 50 20 HBGD COC[C@@H](NC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)CCBr)CCO2)C1 1779315486 DEDCVZURYDAOIQ-CJNGLKHVSA-N 420.304 -0.248 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1 1783877376 IJQUORNUFUWPJM-MEDUHNTESA-N 400.867 -0.597 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)C3CCC(O)CC3)C2)C1 1784141420 UOVSKOHOQIIDSD-ZYKWQNGHSA-N 416.283 -0.639 50 20 HBGD CS(=O)(=O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCBr)[C@H]2C1 1786404198 JXZQFRIDTUKSJH-SRVKXCTJSA-N 411.318 -0.204 50 20 HBGD CC(C)N(C)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786986458 CNDMZLZOLFRHSX-WDSOQIARSA-N 417.315 -0.700 50 20 HBGD O=C(CN1CCCCC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1791181387 AZQFRVGLRDFSLQ-XQLPTFJDSA-N 401.891 -0.422 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccn3)C[C@@H]21 1791289056 GTKQOCKWIJXHTB-JYJNAYRXSA-N 406.487 -0.764 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(F)n1)C2)c1cccc(B(O)O)c1 1795740304 PXEOGWZCUKBUIA-ZSBFGKGUSA-N 413.214 -0.583 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCSC1)C2)c1cccc(B(O)O)c1 1795740775 GNTBVTHMPIEAGE-XLMAVXFVSA-N 418.324 -0.287 50 20 HBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCCS1(=O)=O 1800395497 ITARGLHARYTJRF-VJTDZRGJSA-N 408.904 -0.593 50 20 HBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2C=CCN2)[nH]n1)c1cccc(B(O)O)c1 1817475178 LXGDSAUBYFCXAF-DOTOQJQBSA-N 409.255 -0.077 50 20 HBGD O=C([C@H](O)N1CCOCC1)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](O)CCl)CC1 1824185802 HMIOGHYDZFYFRJ-BXWFABGCSA-N 417.934 -0.144 50 20 HBGD O=C(c1cnc2[nH]ncc2c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830732408 XJSRKAZUWCHGQZ-KBXCAEBGSA-N 423.857 -0.372 50 20 HBGD O=C(c1cc2cccnn2n1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1838421830 HIAOKQYECATFSK-QAPCUYQASA-N 423.857 -0.601 50 20 HBGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1 1840032622 DUAOHIOORMLYJF-NFFDBFGFSA-N 405.289 -0.003 50 20 HBGD CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](Cl)COC)CCO2)C1 1840149403 OFMZPBXABASTPZ-DAYGRLMNSA-N 419.906 -0.389 50 20 HBGD COCCOCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](Cl)COC)CCO2 1840151404 AIVMJTOFDCBXKN-RHSMWYFYSA-N 408.879 -0.640 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C(=O)OC)CC3)C2)C1 1840156726 YHSCDIZHMPQYAT-CXAGYDPISA-N 418.874 -0.350 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C3=CCCC3)C2)C1 1840183735 WIWRXNGLRIOAQZ-HXUWFJFHSA-N 408.499 -0.074 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2cc3cccnn3n2)C1 1844630060 STTSZGONKOFKJL-UHFFFAOYSA-N 420.433 -0.141 50 20 HBGD NS(=O)(=O)c1cnn(CC(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)c1 728211438 TUSFBFILXDUWGS-UHFFFAOYSA-N 414.469 -0.886 50 20 HBGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)c1ccc(S(N)(=O)=O)s1 734241490 ORFLPOCTXBBEOL-UHFFFAOYSA-N 407.474 -0.136 50 20 HBGD Cc1cc(C(=O)NNC(=O)COc2ccccc2F)nc2c1c(=O)n(C)c(=O)n2C 737767364 XEQMQJMVCOJLNY-UHFFFAOYSA-N 415.381 -0.080 50 20 HBGD O=C(NNC(=O)N1CCOCC1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 746519543 JOYAWTLVUNZPGJ-UHFFFAOYSA-N 416.431 -0.467 50 20 HBGD Cc1nc(S(=O)(=O)NCCC(=O)NNC(=O)Cc2cn3ccccc3n2)cn1C 746636806 GUYZXRRMGJXBJX-UHFFFAOYSA-N 419.467 -0.565 50 20 HBGD O=C(CO)NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 753441165 ZKCNUKJAXGCXMI-SNVBAGLBSA-N 420.285 -0.011 50 20 HBGD O=C(NNC(=O)C1CC1)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 763560915 DFRADJLLQYZPIF-OAHLLOKOSA-N 402.407 -0.803 50 20 HBGD Cc1cnc(-c2cccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c2)o1 764226318 HSRNDUQIPJGJGO-SNVBAGLBSA-N 409.424 -0.326 50 20 HBGD CCCn1cc(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)nn1 767149924 DQCZHNOOLAIVNB-UHFFFAOYSA-N 408.488 -0.224 50 20 HBGD Cn1nc(C(=O)NNC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)c2ccccc2c1=O 770636847 PJNLSTLIVLZPIA-CYBMUJFWSA-N 409.468 -0.342 50 20 HBGD Cn1cccc1C(=O)NNC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 776061614 MPCIUZLUWUAFNN-UHFFFAOYSA-N 408.440 -0.093 50 20 HBGD C[C@@H](CNC(=O)C(=O)NNc1c(F)cc(F)cc1Br)S(N)(=O)=O 785006496 CQZPGCANAXCDPT-YFKPBYRVSA-N 415.216 -0.036 50 20 HBGD COCCNS(=O)(=O)c1ccc(C(=O)NNC(=O)[C@H]2CCc3nncn3C2)cc1 816873776 OOHKHKGCZRHPOC-ZDUSSCGKSA-N 422.467 -0.774 50 20 HBGD CCn1nc(C(=O)NNC(=O)[C@H]2CC(=O)N(CCOC)C2)c2ccccc2c1=O 914457207 OEXZERGOVFKBCR-LBPRGKRZSA-N 401.423 -0.328 50 20 HBGD CC(=O)NCC(=O)N1CCc2cc(C(=O)N([C@H]3CCS(=O)(=O)C3)N(C)C)ccc21 1324085971 KQUYBWLPRUNJSC-INIZCTEOSA-N 422.507 -0.182 50 20 HBGD CC(C)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@H]2C1 1786886411 UADPCKMKXYJQID-FQUUOJAGSA-N 402.923 -0.176 50 20 HBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1CCOCC1 1795470810 BPMPIPDAWZQAAU-IVSAIRAKSA-N 403.907 -0.448 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nc[nH]c1[N+](=O)[O-])c1cccc(B(O)O)c1 1796850179 VAUDHFUBMPQENU-BTTYYORXSA-N 413.199 -0.437 50 20 HBGD CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@](C)(Cl)CCl)C2)C(=O)C(=O)O 1800261687 VTEJFXJJKMPFHE-FXZYXXQUSA-N 424.281 -0.645 50 20 HBGD C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)NC(=O)NCc1ccccc1)C2 1800453233 ATUABHBAHJOUFB-XEMDLRDOSA-N 413.478 -0.445 50 20 HBGD Cc1nccn1[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801012082 AXRRHAVNYJXTRJ-AMVTXUCVSA-N 420.514 -0.285 50 20 HBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1CNC(=O)C1)CC2 1826089829 PUNVGOJVQMDGJK-GHMZBOCLSA-N 422.511 -0.436 50 20 HBGD O=C(CCc1cncnc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830724755 YVDOFBMXNSANJI-QAPCUYQASA-N 412.874 -0.535 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@@H]3F)C2)C1 1840182312 GPNXABCRSBEDLW-GLJUWKHASA-N 400.451 -0.826 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)CN2CCS(=O)(=O)CC2)C1 1841895081 VTBSLCWVLRWDLU-CYBMUJFWSA-N 407.920 -0.826 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)CNC(=O)C(F)(F)F)C2 1846386142 GBKSJSGNVCJUTP-UHFFFAOYSA-N 407.393 -0.759 50 20 HBGD CS(=O)(=O)N1CCC[C@H](NC(=O)NNC(=O)CNC(=O)c2cccs2)C1 726242620 WBNQAKPEGJLQSJ-JTQLQIEISA-N 403.486 -0.768 50 20 HBGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)N[C@@H]1CCN(CCN2CCOCC2)C1 734684914 BPTLGFGICOKINK-CRAIPNDOSA-N 419.482 -0.437 50 20 HBGD COc1ccc(C(=O)NNC(=O)CN2CCc3nn(C)c(=O)cc3C2)cc1OC 742428321 HBQVNWSPFVMGGX-UHFFFAOYSA-N 401.423 -0.383 50 20 HBGD C[C@@H](CS(C)(=O)=O)C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 747080429 MKVHRKSFRKKNGG-GWCFXTLKSA-N 400.409 -0.802 50 20 HBGD COc1ccc(C(=O)NNC(=O)C(=O)NC(C)C)nc1I 761138129 NGCBLHUVHNQKKP-UHFFFAOYSA-N 406.180 -0.020 50 20 HBGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)n(-c2ccccc2)n1 764231130 MTGKTRIQEIAGPV-NSHDSACASA-N 408.440 -0.796 50 20 HBGD CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NNC(=O)CNC(=O)c2cccnc2)C1 765509635 OTVZVTCANXHTQK-ZDUSSCGKSA-N 407.427 -0.405 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1nc2c(s1)CCCCC2 789735471 PSVJVAPGVIWCCF-MRVPVSSYSA-N 403.486 -0.564 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2ccc([S@](C)=O)cc2)n(C)c1=O 1116291535 QPAZAUXMCZFLAB-NDEPHWFRSA-N 402.436 -0.679 50 20 HBGD CC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@H]3NC(=O)NC3=O)[C@H]2C1 1785153639 WHHNBBLAUYVZIL-NWBUJAPZSA-N 400.863 -0.418 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccn3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979404 FIXKAXPLUFUTDR-ZVZYQTTQSA-N 410.239 -0.937 50 20 HBGD O=C1CC(C(=O)NC2(c3ccc(NC(=O)c4cccc(B(O)O)c4)cc3)CCC2)=NN1 1788145620 IPIFPOMRFSBSOG-UHFFFAOYSA-N 420.234 -0.010 50 20 HBGD C=CC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](Cl)COC)[C@H]2C1 1791255693 YLDPWXDGJCTTMI-YTFOTSKYSA-N 401.891 -0.089 50 20 HBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)CCl 1793111345 DRENBACWRHXDRS-XLWJZTARSA-N 404.847 -0.281 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cnc[nH]1)C2 1801010557 GHMOEQWCVJNKIX-HBCWATKFSA-N 406.487 -0.695 50 20 HBGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1C=CCN1)CC2)c1ccc(B(O)O)cc1 1815341407 YIEAOQXHSMJGGT-ZFWWWQNUSA-N 412.280 -0.423 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)C3=NNC(=O)C3)sc2C1 1819673149 ICIKUKLKOXKZPP-VIFPVBQESA-N 421.483 -0.696 50 20 HBGD C[C@H](CN)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819795247 LFTJYBJIYQSWSU-NXEZZACHSA-N 417.495 -0.038 50 20 HBGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)N(C)C)CCO2)C1 1835426999 QJIHDYLOAQKGRF-WBMJQRKESA-N 420.304 -0.438 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc(C)cn3)CCO2)C1 1836202049 HYPKBAPLURRJGO-QAPCUYQASA-N 414.890 -0.098 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)ncn3)C2)C1 1840150446 KWHYWWUJFNQAGU-SJKOYZFVSA-N 414.846 -0.494 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2cccc(=O)n2O)C1 1842211600 GBPVXUYZNNHBGU-UHFFFAOYSA-N 412.406 -0.785 50 20 HBGD O=C([C@H](O)Cc1ccccc1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012369 IPKOFJIZEAZNJW-LJQANCHMSA-N 408.263 -0.213 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)[C@@H]1C[C@H](O)CN1)C2 1843416412 GPFWPEVKGYWZDO-HSLPGBITSA-N 402.455 -0.953 50 20 HBGD Cc1nc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CCC(=O)NN(C)C)c(=O)[nH]c1C 1848322550 LXFHZTOOGXTUNL-KBPBESRZSA-N 404.471 -0.425 50 20 HBGD CCc1ccc2c(c1)/C(=N/NC(=O)CSc1nn(C)c(=O)n(C)c1=O)C(=O)N2 18888621 FNEKAFTWMJIBID-UHFFFAOYSA-N 402.436 -0.394 50 20 HBGD CCN1CCC[C@@H]1CN1C[C@H](C(=O)NNC(=O)CNC(=O)c2cccs2)CC1=O 733146256 ZVJHHDUBGIPHFW-ZIAGYGMSSA-N 421.523 -0.042 50 20 HBGD COc1ccnc(NNC(=O)CNS(=O)(=O)c2ccc(CNC(C)=O)s2)n1 741743812 GKOUZKHPWZGMSX-UHFFFAOYSA-N 414.469 -0.396 50 20 HBGD C[C@H]1CN(S(=O)(=O)N2CCN(CC(=O)NNC(=O)C(C)(C)C)CC2)C[C@H](C)O1 744387141 LJAHPXKXPRNGDE-KBPBESRZSA-N 419.548 -0.849 50 20 HBGD C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)NNC(=O)C(=O)N1CCCC1 748344132 VSNZHFVQNSZQES-HXUWFJFHSA-N 413.434 -0.245 50 20 HBGD CCOc1ccc(N2C[C@@H](C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)CC2=O)cc1 758036757 VALMPZSOXGHIFA-RYUDHWBXSA-N 412.468 -0.477 50 20 HBGD CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNC(=O)c1cccn1C)CC2 763997196 YNXQMKCEXLUTOS-UHFFFAOYSA-N 405.436 -0.717 50 20 HBGD Cn1cccc1C(=O)NNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 780216990 ZHOAMVCFNPVUEL-DOMZBBRYSA-N 410.427 -0.251 50 20 HBGD COc1ccc(C(=O)NNC(=O)CNC(=O)c2cccs2)cc1-n1cnnn1 781641335 QDROSCYJMYMDBX-UHFFFAOYSA-N 401.408 -0.077 50 20 HBGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c(C)cc1C 788334604 YAOMKAVHOIQVBQ-JTQLQIEISA-N 414.440 -0.886 50 20 HBGD CC(=O)NC[C@H]1CCn2ncc(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)c2C1 792736226 GAQFCSGCAFKDMN-ZDUSSCGKSA-N 423.437 -0.368 50 20 HBGD CNC(=O)c1cc(S(=O)(=O)NNC(=O)CNC(=O)OCc2ccccc2)cn1C 794598904 ORSQNAGNYIIGJT-UHFFFAOYSA-N 423.451 -0.379 50 20 HBGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1cccc(C(=O)NCCOC)c1 795323216 FJAIYHIVYNDECH-UHFFFAOYSA-N 414.484 -0.323 50 20 HBGD CNS(=O)(=O)NC1CCN(CC(=O)NNC(=O)c2cccc(Cl)c2)CC1 812839841 KSLWLPMEDGLGQQ-UHFFFAOYSA-N 403.892 -0.381 50 20 HBGD CC(=O)C1(C(=O)NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1 815827072 KWZVHHCSGPHGRY-UHFFFAOYSA-N 422.507 -0.182 50 20 HBGD O=C(NCc1ccccc1S(=O)(=O)N1CCCCC1)NNC(=O)C(=O)NC1CC1 916241706 GENUDDVBIUWPOT-UHFFFAOYSA-N 423.495 -0.030 50 20 HBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCS(C)(=O)=O)c1 916726128 CVVNAIIROXOVIS-UHFFFAOYSA-N 405.498 -0.087 50 20 HBGD COCCCNC(=O)NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 1115900050 SXSJJKGHWOZARB-UHFFFAOYSA-N 403.461 -0.974 50 20 HBGD CC(C)(C)[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779028670 HUGATJCPHJAVJW-FOIQADDNSA-N 419.482 -0.464 50 20 HBGD C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779029435 RZLMJBSRGDDRLH-XOBRGWDASA-N 415.450 -0.833 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc3ncnn3c1)C2)[C@H](O)CCl 1792978590 HKCHRBPHWTUSMM-UMPJEAMMSA-N 407.858 -0.539 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1nccs1 1794894759 BPJRSKHDBJTBDH-AGGWBTHJSA-N 401.253 -0.660 50 20 HBGD O=C1CN(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@@H](O)CCl)n[nH]2)C(=O)N1 1814867564 NJQDPNBVGPOQHM-QWRGUYRKSA-N 412.834 -0.447 50 20 HBGD O=C(C1CC(O)C1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1830585983 MSXOKSIVHKRCGZ-WKQXJPDBSA-N 409.252 -0.096 50 20 HBGD CN(C)CC(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834801041 JLEVGQOQJPZSCV-UHFFFAOYSA-N 416.331 -0.887 50 20 HBGD O=C(CCN1CCOCC1)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1835449773 SHWWOPLKRSJVRP-KRWDZBQOSA-N 424.325 -0.031 50 20 HBGD CC(C)(F)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835929171 FCFWNHWUMGIBRR-IBGZPJMESA-N 408.235 -0.816 50 20 HBGD O=C(c1cnc2[nH]ncc2c1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1836808819 QIFSTHASIAKOGV-KBXCAEBGSA-N 423.857 -0.372 50 20 HBGD Cn1nncc1C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837710077 HHAJDBMEFJOIAY-KRWDZBQOSA-N 411.535 -0.263 50 20 HBGD Cn1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1Cl 1838305904 SWMNGJVGHQWDIT-LRDDRELGSA-N 421.281 -0.257 50 20 HBGD C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839840220 AUFOHCSDJYUEPE-HRAATJIYSA-N 416.283 -0.351 50 20 HBGD Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)no1 1840366784 UGDJHFFVGFXMTJ-YOEHRIQHSA-N 401.847 -0.418 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)CS(C)(=O)=O)C2 1843415755 JIIWDQMTAODNKC-XDHOZWIPSA-N 409.468 -0.632 50 20 HBGD CC(=O)Nc1cc(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)ccn1 1843600785 NNRCXTVZMPLJGH-UHFFFAOYSA-N 422.250 -0.149 50 20 HBGD CS(=O)(=O)N1CCC(C(=O)N2CCCC23CN(C(=O)[C@@H](O)CCl)C3)CC1 1843836982 MHKKLIPNNDFVRL-ZDUSSCGKSA-N 407.920 -0.539 50 20 HBGD NS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccc3c(c2)C(=O)NC3=O)ccc1Cl 729511509 JUXJQLRBRSDAQD-UHFFFAOYSA-N 422.806 -0.054 50 20 HBGD CCS(=O)(=O)N[C@@H](CCSC)C(=O)NNC(=O)COc1ccccc1O 730781363 LAQMSOAKPQPZOJ-NSHDSACASA-N 405.498 -0.021 50 20 HBGD O=C(COC(=O)CCCN1C(=O)CCC1=O)NNC(=O)c1cccc([N+](=O)[O-])c1 732326266 VGLLXASDJWHEJJ-UHFFFAOYSA-N 406.351 -0.172 50 20 HBGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 764432538 IDCYOENOVBCIKH-ZDUSSCGKSA-N 401.383 -0.824 50 20 HBGD C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNC(=O)c1cc(-c2cccs2)[nH]n1 768259969 DQCVACRYWJOZLK-VIFPVBQESA-N 423.480 0.000 50 20 HBGD CC(=O)c1ccc(S(=O)(=O)NCC(=O)NNc2nc(O)c3cnn(C)c3n2)cc1 771021746 TYYMFTFGWZKOEY-UHFFFAOYSA-N 419.423 -0.307 50 20 HBGD COC[C@@H](CNC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)OC 781396422 MRVDONQKJCJYHX-CYBMUJFWSA-N 416.504 -0.695 50 20 HBGD CC(C)Cn1ncc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1C1CC1 806978344 XHDKYLYJGRNSES-SNVBAGLBSA-N 414.488 -0.560 50 20 HBGD COC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)COc1ccc(C)c(C)c1 815565057 BBNMQPNYEMXRPB-UHFFFAOYSA-N 403.395 -0.012 50 20 HBGD Cc1cc(=O)c(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)nn1-c1ccccc1 1115889577 ZWTCESQKYLFENJ-LBPRGKRZSA-N 405.436 -0.328 50 20 HBGD C[C@]1(NNC(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)CCS(=O)(=O)C1 1318768130 QCUADEQDZSXDIU-ZDUSSCGKSA-N 418.488 -0.368 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)[C@H]3CCC=CO3)C2)C1 1778985580 UKMHFYKNXXWFQO-XLIONFOSSA-N 400.240 -0.497 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccnc(Cl)n3)C2)C1 1779505532 VFPQFAKEFSAGDY-SFHVURJKSA-N 424.889 -0.054 50 20 HBGD Cc1cc(CC(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)nn1C 1783933622 SBGOLMFMRRPJFM-HXUWFJFHSA-N 420.514 -0.526 50 20 HBGD CC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCS(=O)(=O)CC1 1793837866 KNKLAAUJOALWML-FQLMCAECSA-N 421.947 -0.676 50 20 HBGD C[C@H](Br)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN(C)C(=O)C(=O)O)C2 1801967169 ZYNVRLVKIQPUOW-MMWGEVLESA-N 404.261 -0.049 50 20 HBGD Cn1cnc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc(B(O)O)cc3)n[nH]2)n1 1817470542 CZDAXLBCYRFTBS-HNNXBMFYSA-N 423.242 -0.162 50 20 HBGD C[C@@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)N(C)C)C2)C1 1830538159 XGDALFSXKCKJLZ-LRDDRELGSA-N 420.304 -0.438 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/C3CC3)CCO2)C1 1830793554 DKSVHCSNFOEGAS-CYXJOQHWSA-N 408.499 -0.218 50 20 HBGD Cn1ncnc1C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1833842469 NMLWYRKMMBNQJH-KRWDZBQOSA-N 411.535 -0.263 50 20 HBGD N#CCCC(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834801189 SVYZRSUVRBJCBG-UHFFFAOYSA-N 412.299 -0.145 50 20 HBGD C/C=C(/C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837460379 FCAYDQXOZYNRAF-DSXZCEIVSA-N 417.466 -0.279 50 20 HBGD Cc1n[nH]cc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1838685728 RDJFESXMUDZBBQ-IBGZPJMESA-N 422.486 -0.839 50 20 HBGD CNC(=O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1839150321 JFGITHZGIQBRDD-HOTGVXAUSA-N 410.298 -0.185 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2cnn3ccncc23)C1 1843782484 AUJDTDKGKXMTPX-UHFFFAOYSA-N 405.223 -0.460 50 20 HBGD C[C@](O)(C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1)C(F)(F)F 1844263439 FYUJRYRMRPDPOC-HNNXBMFYSA-N 415.372 -0.185 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1 15813730 AOTDQFOYDSHAHF-UHFFFAOYSA-N 403.420 -0.421 50 20 HBGD COc1cc(C(=O)NNC(=O)CNC(=O)c2cccs2)ccc1OCC(N)=O 725741629 RFICLPLENNOEDE-UHFFFAOYSA-N 406.420 -0.188 50 20 HBGD Cn1nc(C(=O)NNC(=O)CNC(=O)c2ccc(C#N)cc2)c2ccccc2c1=O 726983251 KXQVHCPPCDZVSE-UHFFFAOYSA-N 404.386 -0.004 50 20 HBGD CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)NNC(=O)C(=O)N2CCCC2)C1 728713400 BJSVQDPHMFLLHI-OAHLLOKOSA-N 401.423 -0.046 50 20 HBGD Cn1cc(Br)cc1C(=O)NNC(=O)Cn1cc(S(N)(=O)=O)cn1 748531562 NDMNOKJTLQVCFM-UHFFFAOYSA-N 405.234 -0.907 50 20 HBGD O=C(COc1ccccc1O)NNC(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 755257406 MYXHHPAQHUNYCS-MWDDYTRKSA-N 414.418 -0.092 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(CCN2CCOCC2)cc1 756162709 AUGNPWVQMXTKQJ-CYBMUJFWSA-N 413.500 -0.348 50 20 HBGD O=C(NNc1cnccn1)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 766256966 OFXDDXXNPIIAEH-OAHLLOKOSA-N 412.406 -0.427 50 20 HBGD COc1ccc(S(N)(=O)=O)cc1C(=O)NNC(=O)c1cncc(NC(C)=O)c1 773082689 ZPCWKUBZKZHOIC-UHFFFAOYSA-N 407.408 -0.229 50 20 HBGD Cn1cncc1CCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 792771844 ADQQPCUOVMXOKR-UHFFFAOYSA-N 421.479 -0.165 50 20 HBGD CC(C)n1nc(C(=O)NNC(=O)NCCS(=O)(=O)N(C)C)c2ccccc2c1=O 812691581 DCEUFRCEYKDPNA-UHFFFAOYSA-N 424.483 -0.187 50 20 HBGD O=C(COC(=O)C1CCN(c2ccc3nnnn3n2)CC1)NNC(=O)c1ccccc1 904493577 CHXVIVDPZRPCHO-UHFFFAOYSA-N 424.421 -0.260 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)COc2ccc(C(N)=O)cc2)c1 920530645 CYEUMULEKWMTRZ-UHFFFAOYSA-N 420.447 -0.124 50 20 HBGD Cc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)on1 1779031261 PPILOPAPDXFFTP-IBGZPJMESA-N 414.422 -0.261 50 20 HBGD CC(C)OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1783660378 UVXRCMSJUIDJNM-SZMVWBNQSA-N 404.272 -0.615 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@H]2C1 1786891088 SAJNGQATYYQWSA-QHRNJGFCSA-N 423.341 -0.205 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1nc[nH]c1[N+](=O)[O-] 1796189146 CCJBYQKPTKGLRW-BTTYYORXSA-N 413.199 -0.437 50 20 HBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCS1)C2 1797754485 YWVVCZAIKZCDJU-VZAMPYOESA-N 419.507 -0.216 50 20 HBGD COC[C@@H](Cl)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](N)CCC(N)=O)sc2C1 1814810227 LXIISNYVKQNNKS-AEJSXWLSSA-N 417.919 -0.098 50 20 HBGD Cn1ncnc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1833844624 VMKMVTAMYGBXBL-HZMBPMFUSA-N 420.239 -0.424 50 20 HBGD C=CC(=O)N[C@H](C)C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844264662 VOFDDRPOWGMITC-GFCCVEGCSA-N 400.439 -0.807 50 20 HBGD CC[C@H](NC(C)=O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnccc1C(=O)NN 1847292740 CLWQPSFKYGANSB-JYJNAYRXSA-N 402.455 -0.585 50 20 HBGD CN(C)CC(=O)NNC(=O)CNC(=O)c1ccccc1I 727761624 UKPVGYBYCWULOC-UHFFFAOYSA-N 404.208 -0.270 50 20 HBGD C=CCN1C(=O)C(=O)N(CC(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)C1=O 728211510 WHSUNQJMKOAQPN-UHFFFAOYSA-N 421.435 -0.453 50 20 HBGD Cc1nc(-c2ccc(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc2)co1 735268016 URPIJSPGFQVZEC-VIFPVBQESA-N 402.454 -0.103 50 20 HBGD COC(=O)c1cc(C)c(C)c(S(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 747603134 WSIGHJDAQLEWDU-LLVKDONJSA-N 404.466 -0.166 50 20 HBGD Cn1cc(C(=O)NNC(=O)c2ccc(S(N)(=O)=O)c(Br)c2)cn1 748081375 WLAJAQMNPQZCOP-UHFFFAOYSA-N 402.230 -0.095 50 20 HBGD O=C(CO)NNC(=O)CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2 753442261 BZXFYUIEJJOUAB-UHFFFAOYSA-N 401.441 -0.564 50 20 HBGD C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNC(=O)c1ccc(Cl)cc1O 755695979 VSIMYYJIIOANGL-QMMMGPOBSA-N 401.832 -0.093 50 20 HBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)Nc1cccc(C(=O)N2CCOCC2)c1 755932705 CYIYXRZNDDZYNY-CYBMUJFWSA-N 410.452 -0.254 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CCOCc2ccccc2)n(C)c1=O 765729736 FMKMXXYACYQZEC-UHFFFAOYSA-N 414.422 -0.812 50 20 HBGD CCn1nccc1S(=O)(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 769858240 AHXIJULRFMACMU-UHFFFAOYSA-N 407.861 -0.173 50 20 HBGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)o1 772194977 FXTBPLBZOZTUNX-UHFFFAOYSA-N 414.827 -0.082 50 20 HBGD O=C1CN(CCNC(=O)NNC(=O)c2cc(F)ccc2Br)CCN1 781403810 DHDYUMBXNPWCMR-UHFFFAOYSA-N 402.224 -0.036 50 20 HBGD O=C(CNC(=O)c1cccnc1)NNC(=O)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 784793977 SFQLPABWOFRFOL-HOTGVXAUSA-N 415.450 -0.600 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3n[nH]cc3C)CC2)cc1 799422568 HCKXFUJVVLRLNK-UHFFFAOYSA-N 420.495 -0.206 50 20 HBGD COCCN1C(=O)/C(=C/NNC(=O)Cn2cnc3ccccc32)C(=O)NC1=S 920977775 MEACJKPJUWTHTD-DHZHZOJOSA-N 402.436 -0.569 50 20 HBGD C[C@@H](CBr)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](N)CN)C1 1777999571 UWSONXNBIAGPFE-BCUIYNNISA-N 405.337 -0.183 50 20 HBGD CCNC(=O)N[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](Cl)COC)CCO2)C1 1778960553 HKHKVOASOVEMRW-IIYDPXPESA-N 404.895 -0.222 50 20 HBGD C[C@@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2 1782181274 CFMZYLGSIHYAOC-VVFCZOMOSA-N 406.313 -0.188 50 20 HBGD CC[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)[C@H]2C1 1787506832 PVSBESAQQSEYRN-MQTBOEIUSA-N 419.482 -0.129 50 20 HBGD COC[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788611492 FJDGOCFYGUQAJJ-OQUILHJVSA-N 419.482 -0.439 50 20 HBGD CCC[C@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1792182956 JIOUOYJOXYPBQA-QXKUPLGCSA-N 403.907 -0.129 50 20 HBGD CC(C)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CC(=O)NC1=O 1793828405 FRWSHIQDJQGKRH-GNXNZQSNSA-N 400.863 -0.607 50 20 HBGD CC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797753229 ZXGFXSRHEFLKKI-BAESOJJISA-N 409.874 -0.094 50 20 HBGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccc(O)nn1)C2 1800979462 IZTDNQJVWQSLNZ-AZKPJATDSA-N 414.846 -0.596 50 20 HBGD Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)o1 1801473165 VHQUGCKSTUQNFH-CWPLJXCYSA-N 412.251 -0.286 50 20 HBGD O=C(Cn1ccnn1)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1817652157 YMSBEJIJDDWZHG-MRXNPFEDSA-N 423.242 -0.313 50 20 HBGD CC(=O)C(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819795859 VANSSEHTZLBIRG-SECBINFHSA-N 402.436 -0.044 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)Cn3nccn3)sc2C1 1823119252 DJRNQMVOHQFTLZ-LLVKDONJSA-N 420.499 -0.280 50 20 HBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCC(N)=O)CC2 1826089909 QCSDJZLKDUDQSX-SNVBAGLBSA-N 410.500 -0.306 50 20 HBGD CCc1[nH]nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1F 1830724432 HCNXDLDTISNYDD-YVEFUNNKSA-N 418.853 -0.219 50 20 HBGD CCS(=O)(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1831337462 AOEBVVAXQBZTFT-JSGCOSHPSA-N 400.856 -0.588 50 20 HBGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)Cn3cncn3)C2)C1 1834822487 QCWZMFDGOMFEGX-HNNXBMFYSA-N 416.276 -0.481 50 20 HBGD O=C(c1nc2ccccn2n1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1836392420 MVJYIPLHISEBNL-UGSOOPFHSA-N 423.857 -0.601 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1837710336 WNPJLAYOZQXMHN-SUMWQHHRSA-N 415.519 -0.597 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1C[C@H]1F)CCO2 1839097650 XMVBRBCUAYRANY-ZBQZNYHESA-N 421.429 -0.887 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCOC3=O)C2)C1 1839141916 XTANPYBBUFKHQZ-CXAGYDPISA-N 403.863 -0.088 50 20 HBGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1839865544 HKRQWNNEYQOSKS-IAQYHMDHSA-N 406.277 -0.508 50 20 HBGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1840032405 XZVXFFUHOHVZFD-BFQNTYOBSA-N 418.288 -0.495 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(C)c3)C2)C1 1840151190 XJZWKRSTEUIPCA-YOEHRIQHSA-N 400.863 -0.256 50 20 HBGD CN1CCN(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(Cl)Cl)CCO3)CC1 1840188450 KILMYJYIRXZTKW-QGZVFWFLSA-N 423.341 -0.506 50 20 HBGD CC(=O)Nc1cc(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)ccn1 1843600669 ABELVSXHZRCYDF-UHFFFAOYSA-N 422.250 -0.149 50 20 HBGD C[C@]1(NNC(=O)NCc2ccc([C@]3(C)NC(=O)NC3=O)cc2)CCS(=O)(=O)C1 726283417 ZGLWBKMCGGIUSL-IRXDYDNUSA-N 409.468 -0.378 50 20 HBGD Cc1csc(CC(=O)NNC(=O)COC(=O)CN(C)C(=O)[C@H](C)n2cccn2)n1 728729080 GYLCMAIACUKAGM-LBPRGKRZSA-N 422.467 -0.399 50 20 HBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)C2=NN(C)C(=O)CC2)CC1 735118304 RBHVPBZJFQXDMB-UHFFFAOYSA-N 409.472 -0.931 50 20 HBGD COCCN(CC(=O)NNC(=O)C(C)(C)C)c1c(O)nc(=O)n(CC(C)C)c1N 744384935 CADZDFHZMXNPDH-UHFFFAOYSA-N 412.491 -0.167 50 20 HBGD O=C(O)c1cc(S(=O)(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c(Cl)cc1F 746350706 LMNSTRGBSKGFRV-LURJTMIESA-N 414.820 -0.079 50 20 HBGD O=C(CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NNC(=O)Cc1cc[nH]n1 755289124 LNMPGONTVGTPBL-UHFFFAOYSA-N 421.357 -0.023 50 20 HBGD COC(=O)c1ccc(NNC(=O)CNS(=O)(=O)c2cn(C)c(C)n2)c(OC)c1 757180629 UNSHECWKVAKUAP-UHFFFAOYSA-N 411.440 -0.055 50 20 HBGD CC(C)NS(=O)(=O)c1cccc(C(=O)NNC(=O)CNC(=O)c2cccnc2)c1 763824990 SWPGVUNSZNGDAC-UHFFFAOYSA-N 419.463 -0.041 50 20 HBGD CCOC(=O)c1cnc(NNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)nc1C 778423902 IOMRGHJEAJFXDG-UHFFFAOYSA-N 406.424 -0.098 50 20 HBGD CS(=O)(=O)N1CC(CNC(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])C1 779697197 ZLNSCUQSVIDTQM-UHFFFAOYSA-N 401.401 -0.805 50 20 HBGD CS(=O)(=O)N1CCN(CC(=O)NNC(=O)NCc2ccc(Cl)cc2)CC1 787436246 SJBJUGIJJKZNDL-UHFFFAOYSA-N 403.892 -0.252 50 20 HBGD CN1C(=O)Cc2cc(NC(=O)C(=O)NNC(=O)CNC(=O)c3cccs3)ccc21 789756454 DWMSVPQZMLRXCY-UHFFFAOYSA-N 415.431 -0.217 50 20 HBGD CSCCONC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 793419136 QNTHQCFMDOZQHF-UHFFFAOYSA-N 418.497 -0.054 50 20 HBGD C[Si](C)(C)OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCNC3=N)C[C@@H]21 1788764033 GEGQFZBJKHZVBC-KKUMJFAQSA-N 411.579 -0.342 50 20 HBGD CCNC(=O)N[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796188623 ADGIGSOYEYZHPW-SJWGOKEGSA-N 416.287 -0.674 50 20 HBGD C[C@H](CN)C(=O)N[C@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819795253 LFTJYBJIYQSWSU-ZJUUUORDSA-N 417.495 -0.038 50 20 HBGD O=C(N[C@@H]1CCc2nc(NC(=O)[C@@H](O)N3CCOCC3)sc2C1)[C@H](O)CCl 1819876863 KXONLZCRZPBJPL-XDMRBOTDSA-N 418.903 -0.695 50 20 HBGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(N)=O)C2)C1 1830543838 FAWBQVICVYMIRS-MLGOLLRUSA-N 420.304 -0.261 50 20 HBGD O=C([C@@H](O)CCl)N1CCC([C@H]2CCCCN2C(=O)CN(CCO)CCO)CC1 1831482048 IUZHZNSRNYKCJE-SJORKVTESA-N 419.950 -0.508 50 20 HBGD COCCOCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](Cl)COC)C2)C1 1835247967 FQYPDKXNHZNVGQ-YOEHRIQHSA-N 408.879 -0.640 50 20 HBGD Cc1ncc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)[nH]1 1840182958 XRZJNSIVIZZANC-IBGZPJMESA-N 422.486 -0.839 50 20 HBGD Cc1nn(C)c(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)c1F 1843013618 QGEZTWBNXQKGHC-UHFFFAOYSA-N 400.219 -0.322 50 20 HBGD CC(C)N(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 26075643 ZMZRGWOHXGZVOY-ZDUSSCGKSA-N 417.509 -0.089 50 20 HBGD O=C(CCNC(=O)N1CCc2ccccc2C1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 735652263 IUSTZWYRFRPIFI-OAHLLOKOSA-N 423.495 -0.338 50 20 HBGD O=C(NNC(=O)C(=O)Nc1ccccn1)N[C@@H]1CCCN(CC(F)(F)F)C1=O 746338245 AMGVALKBAXRVHU-SECBINFHSA-N 402.333 -0.096 50 20 HBGD CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCN(S(=O)(=O)CCOC(C)C)CC1 747847297 NREWOIMXPXHDIR-OAHLLOKOSA-N 406.549 -0.059 50 20 HBGD CS(=O)(=O)N1CCc2cc(C(=O)NNC(=O)CNC(=O)c3ccco3)ccc21 751204916 SCGAECPKSJTUJX-UHFFFAOYSA-N 406.420 -0.207 50 20 HBGD COCC(=O)NNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 755407541 AJBMSTFFOYIBRS-UHFFFAOYSA-N 402.429 -0.485 50 20 HBGD COCCOc1cc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)ccc1OC 755695490 HTVXTMHZDSPJRE-SNVBAGLBSA-N 404.445 -0.189 50 20 HBGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C(=O)Nc1ccc(-n2cnnn2)cc1 763572659 UDGKXMVAJVZDRK-HNNXBMFYSA-N 409.362 -0.412 50 20 HBGD CNC(=O)Cn1nc(NC(=O)C(=O)NNC(=O)COc2cc(C)ccc2C)cc1C 763665897 QOKYAVFWYHVTEQ-UHFFFAOYSA-N 416.438 -0.281 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc(-n3cccc3)nc2)n(C)c1=O 765725891 USQRKHCXHXZFHI-UHFFFAOYSA-N 422.405 -0.919 50 20 HBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)[C@H]1CCCCS1(=O)=O 773389092 FDEPUTOLFCIICM-MRXNPFEDSA-N 422.507 -0.441 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2cnnn2Cc2ccccc2)n(C)c1=O 793024600 JFFHMSVABIGLOV-UHFFFAOYSA-N 421.421 -0.776 50 20 HBGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1ccc(N)c([N+](=O)[O-])c1 799106964 RLUCNXOOFJJPQD-UHFFFAOYSA-N 407.412 -0.398 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(Cl)c(CN(C)C)c1 799259207 RDWZXISVWBQSPL-VIFPVBQESA-N 419.891 -0.575 50 20 HBGD Cn1cc(C=NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c(=O)n(C)c1=O 807183674 REIADGSAACNAOB-UHFFFAOYSA-N 419.463 -0.368 50 20 HBGD COC(=O)c1cn(-c2cccc(NC(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)c2)nn1 812980816 AVOFIYJSNWRQQN-JTQLQIEISA-N 422.423 -0.359 50 20 HBGD Cn1c(=O)c2ccc(C(=O)NNC(=O)COc3ccc(C#N)cc3)nc2n(C)c1=O 914164092 SCGBZXWQXKGDGR-UHFFFAOYSA-N 408.374 -0.656 50 20 HBGD Cn1nc(C(=O)NNC(=O)[C@H]2CC23CCS(=O)(=O)CC3)c2ccccc2c1=O 1117335796 ZCVCCZMPCIHRQL-CYBMUJFWSA-N 404.448 -0.091 50 20 HBGD C[C@H](C(=O)NNC(=O)CNC(=O)c1cccs1)S(=O)(=O)C1CCOCC1 1319282257 JFSOCCQWHAAJFK-SNVBAGLBSA-N 403.482 -0.392 50 20 HBGD CCNC(=O)N[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](Cl)COC)CCO2)C1 1778960557 HKHKVOASOVEMRW-PBFPGSCMSA-N 404.895 -0.222 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1781227999 TUGINHACWTVPKY-JKSUJKDBSA-N 406.314 -0.107 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1783981775 CREIEDQHDCDJER-QMTHXVAHSA-N 415.796 -0.251 50 20 HBGD CN[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)Br)[C@H]2C1)C(=O)O 1791058244 UPFXJTNBKDDQOA-NWBUJAPZSA-N 420.304 -0.188 50 20 HBGD CN(C)C(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2 1792628273 OPMLRZVJGBPQOI-QCMRWSPLSA-N 409.256 -0.462 50 20 HBGD O=C(O)CSCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796192183 RHNOUOPXHYLLPC-QDMKHBRRSA-N 406.269 -0.564 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccc(F)nc1 1798039163 HPGDPJFAELUEPV-JLVBRIDZSA-N 413.214 -0.583 50 20 HBGD CCC[C@H](NC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1804207686 IRBNJDMKWNYYFG-RDGPPVDQSA-N 415.299 -0.077 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cn2cnnn2)CC1 1831871149 MEPXGPAPRGNVSD-MRXNPFEDSA-N 420.518 -0.334 50 20 HBGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc[nH]n3)CCO2)C1 1836345544 FNULQXRQGWFDNF-IAQYHMDHSA-N 416.276 -0.094 50 20 HBGD C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837461262 RSAIVQLQRJTMME-HXUWFJFHSA-N 415.450 -0.832 50 20 HBGD CC(=O)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Br)C2)C1 1839886248 PRIZDWQCFOMZDJ-LRDDRELGSA-N 420.304 -0.248 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]n3)C2)C1 1840032201 QVROHTKDIPRGQL-HZMBPMFUSA-N 402.249 -0.342 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1cc3ncccn3n1)C2 1844264279 BDJUBCOPWNWQON-UHFFFAOYSA-N 420.433 -0.141 50 20 HBGD COc1ccc2c(c1)/C(=N/NC(=O)CSc1nn(C)c(=O)n(C)c1=O)C(O)=N2 18887663 QGXMKUSIOGSDNT-UHFFFAOYSA-N 404.408 -0.298 50 20 HBGD COc1ccc(C(=O)NCCNC(=O)NNC(=O)CNC(=O)c2ccco2)cc1 725870661 NPPMRCAAXCRQBZ-UHFFFAOYSA-N 403.395 -0.222 50 20 HBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=S)NCC(=O)NC(C)C 727270918 NYWYLJIZZUKGLR-UHFFFAOYSA-N 400.530 -0.078 50 20 HBGD CN(C)N(C(=O)CN1C(=O)c2ccccc2S1(=O)=O)[C@H]1CCS(=O)(=O)C1 728178113 TVCQETCACLBDBG-NSHDSACASA-N 401.466 -0.677 50 20 HBGD NS(=O)(=O)c1ccc(C(=O)NNC(=O)N2CCOCC2)cc1Br 748076254 CNYIMTYRAVFDBF-UHFFFAOYSA-N 407.246 -0.217 50 20 HBGD O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)N1CCCC1 748246964 RHRRZRWJOVAKOR-GFCCVEGCSA-N 402.407 -0.420 50 20 HBGD CS(=O)(=O)N1CCC[C@H]1C(=O)OCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 750446853 RGRCFTVZYBMZHF-LBPRGKRZSA-N 414.396 -0.677 50 20 HBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)Nc1cccc(S(=O)(=O)NC2CC2)c1 755585104 GZRVCGOZKDUHSW-SNVBAGLBSA-N 416.481 -0.285 50 20 HBGD CCS(=O)(=O)c1cc(F)ccc1NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 760016700 ZANMPELDZCHISY-MRVPVSSYSA-N 410.449 -0.290 50 20 HBGD O=C(NC1CC1)N[C@@H]1CCN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)C1 760654781 FMNIZWMFYDYMBY-GFCCVEGCSA-N 423.499 -0.130 50 20 HBGD CC(C)(C)OC(=O)NCC(=O)NCC(=O)NNC(=O)c1nnc(O)c2ccccc12 766758211 KYLQTCZEHRZYIE-UHFFFAOYSA-N 418.410 -0.263 50 20 HBGD C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)N1CCN(S(=O)(=O)CBr)CC1 779545951 VNSKPEOPBKELED-MWLCHTKSSA-N 412.306 -0.912 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cccc(-n2cnc(N(C)C)n2)c1 799416715 QKILURWQGDRDKG-SNVBAGLBSA-N 410.460 -0.576 50 20 HBGD Cc1cc(C)n(CC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)n1 914751432 ANZSKZZAQNWQTA-UHFFFAOYSA-N 411.440 -0.425 50 20 HBGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=S)NCCNS(C)(=O)=O)CC1 1116082944 BKTVQLMBERRMIR-UHFFFAOYSA-N 423.561 -0.322 50 20 HBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2cnn3ccncc23)CC1 1117375424 OUAARKYOIKNWIX-UHFFFAOYSA-N 416.467 -0.183 50 20 HBGD C#CCNC(=O)C1CCN(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CC1 1323995789 CXZUNCTZHITYLO-UHFFFAOYSA-N 413.482 -0.105 50 20 HBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2)[C@H]1CCCS1(=O)=O 1781650547 WJYWQGTXFNKHDG-ZOMKSWQUSA-N 422.931 -0.323 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(CN(C(=O)CCc3cnc[nH]3)CCO2)C1 1783933374 IXBFWAJADVMTOC-LJQANCHMSA-N 406.487 -0.455 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)C1=CCCS1 1793410460 AGOWHWXJSDMJCT-XOIINTDNSA-N 402.281 -0.410 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnco1 1793567229 ASYIKEBTQNYVLD-QHBPRCKVSA-N 400.395 -0.810 50 20 HBGD CCS(=O)(=O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCBr 1795112893 GQJMLLGYTWHJEG-GNXNZQSNSA-N 411.318 -0.204 50 20 HBGD CC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1795141604 BGMXVEJCVRHXJA-FVCICTRLSA-N 403.439 -0.743 50 20 HBGD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)ccn1 1798094830 WDNPJUCPPXVEFT-JLVBRIDZSA-N 424.461 -0.094 50 20 HBGD CC[S@@](=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1798288239 VOCJMMJTLWCHFJ-MOOZGVFRSA-N 406.313 -0.223 50 20 HBGD O=C(Cn1nccn1)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809969969 XJYFKSSYEKROHR-UHFFFAOYSA-N 411.271 -0.497 50 20 HBGD CNC(=O)CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827055684 HWVJEJFVZNNBCR-SFHVURJKSA-N 415.299 -0.264 50 20 HBGD NC(=O)[C@H](N)CCC(=O)NC1CCN(C2CCN(C(=O)[C@H](F)Cl)CC2)CC1 1834733704 ZFIANXBJSACHKZ-HIFRSBDPSA-N 405.902 -0.315 50 20 HBGD CNC(=S)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1837464452 AMVLLVZFDFMLAF-IUODEOHRSA-N 410.899 -0.539 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CS(=O)(=O)CC)C2)C1 1839142582 SWTRBYSDDIQBET-BBRMVZONSA-N 410.920 -0.105 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(C)=O)C2)C1 1840155805 ICRUVDJURBCSHG-RVSPLBMKSA-N 405.879 -0.779 50 20 HBGD COc1nn(C)cc1C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844263801 XBWGSONDOKIPGR-UHFFFAOYSA-N 413.438 -0.442 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)CSc2nc[nH]n2)C1 1846568003 PNXLFNGGWSQSCR-UHFFFAOYSA-N 401.257 -0.906 50 20 HBGD Cn1cnc2c1c(=O)n(CC(=O)NNC(=O)CCOc1ccccc1)c(=O)n2C 61479934 VDVUEFJKZUZJSM-UHFFFAOYSA-N 400.395 -0.950 50 20 HBGD CN(C)CC(=O)NNC(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 733360162 FQAHDCYVMRSXAL-UHFFFAOYSA-N 403.892 -0.155 50 20 HBGD COCCOc1ccc(-n2nc(C)c(C(=O)NNC(=O)C(=O)N3CCCC3)n2)cc1 735040515 WNTGLGQEEQAXDM-UHFFFAOYSA-N 416.438 -0.016 50 20 HBGD Cc1c(C(=O)NNC(=O)C(=O)NC2CC2)cc(Br)cc1S(N)(=O)=O 747350772 WQJFHJJVCWWBBW-UHFFFAOYSA-N 419.257 -0.555 50 20 HBGD COc1ccc(NC(C)=O)cc1S(=O)(=O)NNC(=O)CNC(=O)c1ccco1 751281384 DBOPPVPYNLYRMI-UHFFFAOYSA-N 410.408 -0.014 50 20 HBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 764204473 OQZPXVAIJGVYDB-UHFFFAOYSA-N 405.864 -0.762 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc2nc(C3CC3)oc2c1 764226146 GFIYIMMELKVJTC-MRVPVSSYSA-N 409.424 -0.271 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc3ccccc3c(O)n2)n(C)c1=O 765721902 NVNPLLYWPIEGPQ-UHFFFAOYSA-N 423.389 -0.851 50 20 HBGD C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)c1ccccc1O 770949252 CJJVVWBJGLHVNM-SNVBAGLBSA-N 406.420 -0.381 50 20 HBGD CCn1nccc1C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 775759423 BTEKSBLBWBJOJZ-UHFFFAOYSA-N 407.452 -0.001 50 20 HBGD CCOC(=O)c1c(NC(=O)C(=O)NNC(=O)C(=O)NC2CC2)sc2c1CCC2 782966072 LDSWFSDPXXSNLV-UHFFFAOYSA-N 408.436 -0.222 50 20 HBGD CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)NNC(=O)CNC(=O)c1cccs1 787856907 DANDHCVDXHLLPI-VHSXEESVSA-N 413.456 -0.735 50 20 HBGD C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NNC(=O)CN1CCCC1=O)C2=O 789856406 GCHFBHNTGVQMPP-BUXKBTBVSA-N 407.471 -0.107 50 20 HBGD CN(C)S(=O)(=O)[C@H]1CCCN(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)C1 796129420 QOAWBJCBECZMOL-AWEZNQCLSA-N 413.456 -0.288 50 20 HBGD COCCn1cc(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cn1 800733926 DEJNJYQRQOSAEL-UHFFFAOYSA-N 424.483 -0.076 50 20 HBGD Cc1c(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)nnn1-c1ccn(C)n1 814364780 OCJVYDJYXISQCC-UHFFFAOYSA-N 407.394 -0.369 50 20 HBGD Cc1ccc(-c2cc(C(=O)NNC(=O)CNS(=O)(=O)c3cnn(C)c3)n[nH]2)cc1 917178935 ZVKUJMAHOQLMBT-UHFFFAOYSA-N 417.451 -0.142 50 20 HBGD CC(C)(C)C(=O)NNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 917181629 XVXKZDXXYQBVBO-CYBMUJFWSA-N 419.525 -0.038 50 20 HBGD C[C@H](C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(F)cc1F 1324049563 NCFKIPPVSPKRGZ-VIFPVBQESA-N 420.376 -0.337 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnn(C)c1)C2 1782210866 UERWVAWXESOOFX-OXQOHEQNSA-N 420.514 -0.079 50 20 HBGD Cc1cc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)no1 1784361761 VCYKMSLGLZEZHV-FQEVSTJZSA-N 413.239 -0.651 50 20 HBGD CN1CCC[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786980218 WQNDWQORVRPDLT-WNHJNPCNSA-N 415.299 -0.946 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cccnn1 1788854634 OYNFKZHKBKHQPP-ZVZYQTTQSA-N 410.239 -0.937 50 20 HBGD C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1792566348 RORBKJOZQUBIHI-JCNVWAKMSA-N 411.267 -0.523 50 20 HBGD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CBr)n1cnnn1 1792873034 JAYWNRUAGFYIHM-NWBUJAPZSA-N 415.292 -0.145 50 20 HBGD CN1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1792999279 FQHINALEFGZUCA-UKBAYJJMSA-N 415.299 -0.946 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccncc1 1794665173 IESJIFVBOAJXFS-XOIINTDNSA-N 410.434 -0.403 50 20 HBGD Cc1cncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c1 1795732451 GWHLXIRYLILKIY-IZZQQSIFSA-N 409.251 -0.413 50 20 HBGD COC[C@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Br 1799350125 QXHNUHGKKUQPCN-PPCPHDFISA-N 424.267 -0.582 50 20 HBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](O)N2CCOCC2)[nH]n1)[C@@H](O)CCl 1814873248 OFDSNNJIAHJDAV-HEHGZKQESA-N 415.878 -0.348 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CNC(N)=O)CC1 1832940085 HZHUWKYWXHZOLI-HNNXBMFYSA-N 410.519 -0.353 50 20 HBGD C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839840200 AAOWQIRAVXBKJG-HRAATJIYSA-N 416.283 -0.351 50 20 HBGD O=C1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C(Cl)Cl)C3)C2)CCN1 1840232622 CGVDYGABUCQETB-ZBEGNZNMSA-N 408.282 -0.227 50 20 HBGD CN1CCN(C2(C(=O)N3CC4(CCCN4C(=O)CCC(=O)NN(C)C)C3)CC2)CC1 1846385455 IKVMZGXORDJLGL-UHFFFAOYSA-N 420.558 -0.657 50 20 HBGD Cc1ccc(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cc1S(N)(=O)=O 15857005 XIBKPKQYLLRDCR-UHFFFAOYSA-N 415.431 -0.036 50 20 HBGD O=C(CN1CCCC1=O)NNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 726716495 DVIOSYCKFMMLRQ-UHFFFAOYSA-N 410.452 -0.909 50 20 HBGD CCOc1ccc(O[C@H](C)C(=O)NNC(=S)NCCNS(C)(=O)=O)cc1 727067894 STDSYPLCWUKEJD-LLVKDONJSA-N 404.514 -0.103 50 20 HBGD O=C(NNC(=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F)N[C@@H]1CCS(=O)(=O)C1 727800850 ZKDYALHQVWYKEE-BDAKNGLRSA-N 416.378 -0.333 50 20 HBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)[C@H]2CC(=O)N(C3CC3)C2)CC1 735117589 YOKLLYGGPADIGN-ZDUSSCGKSA-N 422.511 -0.528 50 20 HBGD C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 742476577 AUDYXACQRXEEMG-YUHPLZMDSA-N 405.382 -0.097 50 20 HBGD O=C(CNS(=O)(=O)c1ccc(Cl)s1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 749837935 HWCVGGGCYIPBBH-SSDOTTSWSA-N 415.902 -0.738 50 20 HBGD CON(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CNC(=O)c2ccco2)c1 751204361 HFVZRSVKAGBOBC-UHFFFAOYSA-N 410.408 -0.348 50 20 HBGD CCS(=O)(=O)N1CCC(CNC(=O)NNC(=O)CNC(=O)c2ccco2)CC1 754176316 JUTBEPBXTNVLFR-UHFFFAOYSA-N 415.472 -0.599 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CCNS(=O)(=O)/C=C/c1ccccc1 758036831 VYMHEFFKPUFHTD-ZKQHCESOSA-N 418.497 -0.948 50 20 HBGD CC(C)c1nc2cc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)ccc2o1 764227872 SJQAOLBBPMAZAJ-SECBINFHSA-N 411.440 -0.025 50 20 HBGD Cc1cc(C)c2cc(C(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)[nH]c2c1 765724523 KVIWXAAKAXXBOE-UHFFFAOYSA-N 423.433 -0.007 50 20 HBGD CS(=O)(=O)c1ccccc1NNC(=O)NCCN1CCN(S(C)(=O)=O)CC1 765749227 VVEWVBMSDCUCIJ-UHFFFAOYSA-N 419.529 -0.707 50 20 HBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 772040757 HAPYSRLVYYMPKN-SNVBAGLBSA-N 407.427 -0.686 50 20 HBGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)Cn1cc(S(N)(=O)=O)cn1 773171002 KGDCUDZERANXCZ-VIFPVBQESA-N 401.832 -0.201 50 20 HBGD CC(C)N(C)c1ccc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)cn1 790155793 RRPDHWNSJVIKQW-UHFFFAOYSA-N 405.484 -0.039 50 20 HBGD CNS(=O)(=O)N1CCC(C(=O)NNC(=O)c2cc(Br)c[nH]2)CC1 794825757 YGWVGDLZCQOLBJ-UHFFFAOYSA-N 408.278 -0.286 50 20 HBGD CCOc1ccc(S(=O)(=O)NCC(=O)NNC(=O)CN(C)C)cc1OCC 810334450 WHFKUFMXDSGNEP-UHFFFAOYSA-N 402.473 -0.529 50 20 HBGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)C(=O)N1CCN(c2ccccc2)CC1 813367645 GUAWKTOJGFZQAM-UHFFFAOYSA-N 420.433 -0.228 50 20 HBGD C[C@@H](CS(C)(=O)=O)N(C)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 1116044069 CQFSFKWZEHQWPR-JTQLQIEISA-N 405.502 -0.301 50 20 HBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NC[C@@H](C)S(C)(=O)=O 1319686782 PUXOOCKQDCRXHN-SECBINFHSA-N 405.502 -0.335 50 20 HBGD O=C(NNC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)N[C@H]1CCS(=O)(=O)C1 1321948527 PPQQEFKWHBYPTK-NSHDSACASA-N 405.436 -0.526 50 20 HBGD CN1CCN(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)CC1 1778261958 MVFCTWOHZVIVGP-GOEBONIOSA-N 421.311 -0.246 50 20 HBGD CC[S@](=O)CCC(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1778825681 KNYBMLSEUGNOEV-WRHNGFHOSA-N 416.544 -0.652 50 20 HBGD Cc1c(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)cnn1C 1783936752 SWSCLDQTSCSPOU-IBGZPJMESA-N 406.487 -0.455 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnn(C)c3)[C@H]2C1 1786037301 KKBDVMDLPACPCI-BPUTZDHNSA-N 406.487 -0.614 50 20 HBGD C[Si](C)(C)OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]2C1 1786891137 JPBWYOXOUSASOA-AJNGGQMLSA-N 414.579 -0.590 50 20 HBGD CCC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)COC1 1790743440 QQWMKJVROZDZCN-JYJNAYRXSA-N 410.515 -0.234 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccnc(F)c1 1793551453 NCBGQVSRARNUBW-JLVBRIDZSA-N 413.214 -0.583 50 20 HBGD Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)nc1 1795737573 WXRGJOHGHZETFH-HGKCTWBKSA-N 409.251 -0.413 50 20 HBGD C[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2)N1C[C@@H]2C[C@H]2C1 1798318561 OCOALHIRGQMJEY-LTAPWVTPSA-N 411.311 -0.042 50 20 HBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnncc1C(=O)O)C2 1800976915 LMQQSLADQQMLPR-DJBIQUGXSA-N 412.830 -0.368 50 20 HBGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnncc1C(=O)O)C2 1800976917 LMQQSLADQQMLPR-RDBQEKCUSA-N 412.830 -0.368 50 20 HBGD Cc1n[nH]c(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837801231 JULKRNZKSGNFNJ-DYVFJYSZSA-N 400.863 -0.304 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(F)CC1)CCO2 1839758212 FGWRMDDUDCIDIS-KRWDZBQOSA-N 400.451 -0.682 50 20 HBGD C[C@@H](CBr)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CNCP(=O)(O)O 1847499518 ISXLWAZIXNQQLD-DCAQKATOSA-N 412.221 -0.056 50 20 HBGD CCC(CC)NC(=O)C(=O)NNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 740852023 HIJAAKUKQSDZJV-UHFFFAOYSA-N 405.367 -0.357 50 20 HBGD COc1cccc(C(=O)NNC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)c1O 743316981 MPJCHAPULUDRFQ-YIKOMLBNSA-N 403.391 -0.286 50 20 HBGD C[C@@H](C(=O)N(C)CC(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1)n1cccn1 744842445 MYSMMRQKGJWIKS-ZDUSSCGKSA-N 412.406 -0.221 50 20 HBGD CS(=O)(=O)CC1(CC(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 746820618 CCMNNPLLRZMQPH-UHFFFAOYSA-N 423.900 -0.037 50 20 HBGD Cc1nc2nc(N)nn2c(C)c1CC(=O)NNC(=O)CCNC(=O)OC(C)(C)C 760433361 VYKYHRLKOWDYTA-UHFFFAOYSA-N 406.447 -0.072 50 20 HBGD Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)C(=O)Nc2cnn(CC(N)=O)c2)c1 763594241 IAKQXBSMBHHABW-UHFFFAOYSA-N 416.438 -0.035 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cc(O)nc(N(C)C)n2)cc1 765183730 AOWOLLWPTRTLMS-UHFFFAOYSA-N 422.467 -0.362 50 20 HBGD C[C@H](CS(C)(=O)=O)C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765739178 QLWBJUCODRZAPH-CQSZACIVSA-N 410.496 -0.728 50 20 HBGD CCNc1nc(C)c(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)s1 768288602 APTZHBGCLYYYLK-UHFFFAOYSA-N 420.455 -0.908 50 20 HBGD CC(C)n1nc(C(=O)NNC(=O)c2nc(N)nc(N(C)C)n2)c2ccccc2c1=O 816805916 MLGOKIFSAOSXOI-UHFFFAOYSA-N 411.426 -0.115 50 20 HBGD CCOc1ccc(O[C@H](C)C(=O)NNC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)cc1 816817904 MZAKFPNYUWZVRM-CHWSQXEVSA-N 414.484 -0.085 50 20 HBGD O=C(NNC(=O)C1CCN(C(=O)N2CCCC2)CC1)N[C@H]1CCS(=O)(=O)C1 1321949046 YTZSIORTZSTCSQ-ZDUSSCGKSA-N 401.489 -0.568 50 20 HBGD CNC(=O)CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827055682 HWVJEJFVZNNBCR-GOSISDBHSA-N 415.299 -0.264 50 20 HBGD Cn1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)n1 1830722882 IJAWZUJWYXCOPJ-WMLDXEAASA-N 400.863 -0.981 50 20 HBGD CNC(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1831269612 FDLZDUOIPFKROH-HNNXBMFYSA-N 406.277 -0.636 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CNC(=N)N)CC1 1831871810 XJMGXSVVXCCFCO-HNNXBMFYSA-N 409.535 -0.538 50 20 HBGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CC(=O)NC3=O)CCO2)C1 1832480508 OHTXZXOUHANOHD-YVEFUNNKSA-N 416.862 -0.988 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(CN(C(=O)COCCO)CCO2)C1 1839194610 IJVNIXJRMRFQGZ-QGZVFWFLSA-N 404.536 -0.697 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn3C)C2)C1 1840183717 VRJMTXKRJBHRBU-HXUWFJFHSA-N 421.498 -0.532 50 20 HBGD O=C(CCN1CCOCC1)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840188214 XHYHSNYWABSFSM-QGZVFWFLSA-N 424.325 -0.031 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)OC)CCO2)C1 1840322381 ALEDXKPNZUZLFO-BLLLJJGKSA-N 407.851 -0.947 50 20 HBGD O=C(Cn1nnc2ccccc21)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(B(O)O)cc1 1848002552 ZZHRTHHOFIPDCJ-OALUTQOASA-N 419.250 -0.373 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCS(=O)(=O)CC1 1848072094 MCBMIWNQHPFJQW-RDBSUJKOSA-N 407.920 -0.828 50 20 HBGD CCN(CC)S(=O)(=O)N1CCN(CC(=O)NNC(=O)c2ccc(C)cc2)CC1 11671968 LTQFKDKBTNZVIY-UHFFFAOYSA-N 411.528 -0.040 50 20 HBGD CN(CCO)S(=O)(=O)c1ccc(C(=O)NNC(=O)CNC(=O)c2ccco2)cc1 728313794 KYVACUDWRNEDGW-UHFFFAOYSA-N 424.435 -0.917 50 20 HBGD CNC(=O)c1ccc(C(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cn1 728676814 AKEUQTYXXSDXNP-UHFFFAOYSA-N 401.335 -0.033 50 20 HBGD CCCCS(=O)(=O)N1CCC[C@H]1C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 734124222 XXFQDHVDRIQDNJ-RYUDHWBXSA-N 410.518 -0.902 50 20 HBGD Cn1c(=O)n(C)c2cc(S(=O)(=O)NNC(=O)CNC(=O)c3ccco3)ccc21 751283518 XEHVQPBKLYQVFK-UHFFFAOYSA-N 407.408 -0.791 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CN(C[C@@H]1CCCO1)C(=O)OC(C)(C)C 758044925 AUOYNGARTFLCAT-NEPJUHHUSA-N 422.504 -0.512 50 20 HBGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccc(OCC2CCOCC2)cc1 764427443 ZSWRUIZEQDKQNV-MRXNPFEDSA-N 407.423 -0.007 50 20 HBGD COc1ccc(Cn2nccc2NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)cc1 764433838 OEOBHZFMWFCICV-CQSZACIVSA-N 403.395 -0.559 50 20 HBGD COC(=O)CNC(=O)NNS(=O)(=O)c1ccc(I)cc1 779846148 WZAXAOJEUXWCFW-UHFFFAOYSA-N 413.193 -0.043 50 20 HBGD O=C(CNS(=O)(=O)c1c(F)cccc1F)NNC(=O)C(=O)Nc1ccccn1 810528630 VTBINQMDGFOEFE-UHFFFAOYSA-N 413.362 -0.576 50 20 HBGD CCCc1nnc(SCC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)n1N 813411307 LURQINSNFSFUAY-UHFFFAOYSA-N 412.497 -0.099 50 20 HBGD CCOC(C)(OCC)C(=O)NNC(=O)C1CCN(c2ccc3nnnn3n2)CC1 1326241049 CFFNGAZFGUAFGC-UHFFFAOYSA-N 406.447 -0.328 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2=NNC(=O)C2)C1 1779312701 RRWYOHDCZKKRLC-XTQGRXLLSA-N 400.863 -0.370 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)Cc3cnn(C)c3)C2)C1 1784580230 OCUCXOQLIWVUFU-IBGZPJMESA-N 406.487 -0.835 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)c1cccn2c(O)nnc12 1787384915 MRLLOKLTYXMUBI-DEQVHRJGSA-N 423.857 -0.372 50 20 HBGD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)c[nH]1 1787698580 YFGOUIYYZUMYPQ-SNRMKQJTSA-N 411.267 -0.090 50 20 HBGD COC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CBr 1792872033 JUPJOZKEIQVVLI-KQXIARHKSA-N 406.277 -0.037 50 20 HBGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2)n1ccnc1 1793145940 NWSKLTJWXPYNQB-ZXFNITATSA-N 406.487 -0.593 50 20 HBGD Cc1cccnc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795737781 SIJYLOYSMFMUAJ-HGKCTWBKSA-N 409.251 -0.413 50 20 HBGD Cc1nnsc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1796591099 ZHMDIEASNGBKOJ-AGGWBTHJSA-N 416.268 -0.957 50 20 HBGD Cc1nccn1[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801012083 AXRRHAVNYJXTRJ-JNNRSPCRSA-N 420.514 -0.285 50 20 HBGD Cn1ncnc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1816301661 RMVUMSMCLHCSQC-OAHLLOKOSA-N 423.242 -0.162 50 20 HBGD Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)nn1C 1830725926 SQVRLVWPNWKSFY-PBHICJAKSA-N 400.863 -0.602 50 20 HBGD O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830730632 BPVCFFVGARSMNG-WBMJQRKESA-N 416.818 -0.407 50 20 HBGD CC(=O)NCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1831394449 NJQJAUZEKHJMMB-IBGZPJMESA-N 415.299 -0.264 50 20 HBGD O=C(c1ccnc(F)c1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1831894922 GCVFLGWIDVUHFV-GUYCJALGSA-N 401.822 -0.110 50 20 HBGD CN(C)C(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@](C)(Cl)CCl)C2)C1 1835435903 WRYFPGUPBOFPNG-CVEARBPZSA-N 410.298 -0.233 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1837715997 WALJQWUTRQZUDM-KSSFIOAISA-N 413.547 -0.570 50 20 HBGD CCOC(=O)C1(C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)CC1 1845896481 BGEYXOMJDMTIKE-UHFFFAOYSA-N 415.450 -0.155 50 20 HBGD Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NNC(=O)CNC(=O)c1cccs1 725740643 XLORTDAVXNSKNM-UHFFFAOYSA-N 400.438 -0.204 50 20 HBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)C(=O)NC(C)C)c(C(=O)OC)s1 728170828 NSILUPHLEFCJJB-UHFFFAOYSA-N 407.426 -0.845 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)[C@H]3CCN(C)C(=O)C3)cc2)CC1 728215354 YCGBYLMGDPSRHK-AWEZNQCLSA-N 409.512 -0.066 50 20 HBGD COCCOc1ccc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)cc1 730462758 PITIWDCRHYXJKZ-UHFFFAOYSA-N 407.452 -0.253 50 20 HBGD COC(=O)NCCCC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 730767739 KGKMHSKBJHZPFP-UHFFFAOYSA-N 400.457 -0.101 50 20 HBGD O=C(CNC(=O)c1cccs1)NNC(=O)N[C@H]1CCN(CC(F)(F)F)C1=O 732572359 CIRGFOQIGJFVSU-QMMMGPOBSA-N 407.374 -0.029 50 20 HBGD COc1ccccc1CC(=O)NNC(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1 737518448 VELYVMIYEKTKKV-UHFFFAOYSA-N 411.418 -0.047 50 20 HBGD N#Cc1ccc(OCC(=O)NNC(=O)NCCCN2CCC[C@@H](C(N)=O)C2)cc1 745830198 LLRPYOVKNKDJDP-OAHLLOKOSA-N 402.455 -0.145 50 20 HBGD Cn1nc(SCC(=O)NN=Cc2cccc(OCCC(=O)O)c2)c(=O)n(C)c1=O 746681389 BPUYZGLGLUMCLU-UHFFFAOYSA-N 421.435 -0.425 50 20 HBGD Cn1cc(C(=O)NNC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cn1 755353532 KGLMECQVRCQLDU-UHFFFAOYSA-N 408.440 -0.093 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@@]3(C)CCOC3)CC2)cc1 755518185 TWMULDKUZONRTO-IBGZPJMESA-N 424.523 -0.125 50 20 HBGD N#Cc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1cccc(-n2cnnn2)c1 763808753 QJNFBYIOGTUPKA-UHFFFAOYSA-N 406.362 -0.301 50 20 HBGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 763820006 IWRAIRXQIWZZQQ-UHFFFAOYSA-N 401.335 -0.048 50 20 HBGD Cc1c(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cnn1C(C)(C)C 766641393 XUICUIANLJNCLQ-UHFFFAOYSA-N 416.442 -0.845 50 20 HBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNC(=O)C(C)(C)O)c1 768244986 QMYGJAFWFTXTSL-UHFFFAOYSA-N 414.484 -0.635 50 20 HBGD COCc1ccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 772615298 PEOQIVHEYLFDHT-UHFFFAOYSA-N 415.410 -0.567 50 20 HBGD CN(NC(=O)CCNS(C)(=O)=O)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 776204578 DHNHHTFXBXIZDU-UHFFFAOYSA-N 407.493 -0.439 50 20 HBGD COc1nc(C)c(Br)cc1C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 777137435 LJBGEXSPHRSDTK-SSDOTTSWSA-N 409.262 -0.140 50 20 HBGD C=CCS(=O)(=O)CCNC(=O)NNC(=O)c1nn(CC)c(=O)c2ccccc12 783303915 RWKBTUGBECYWQM-UHFFFAOYSA-N 407.452 -0.039 50 20 HBGD NC(=O)c1ccccc1NCC(=O)NNC(=O)c1csc(N2CCOCC2)n1 809558046 XOAQOCYHVITSSZ-UHFFFAOYSA-N 404.452 -0.048 50 20 HBGD CC(C)NC(=O)C(=O)NNS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 814209807 GEBVMVXUBBYMEM-UHFFFAOYSA-N 410.452 -0.462 50 20 HBGD Cc1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)n(C)n1 917528335 BEZRWCIEBDYDRC-UHFFFAOYSA-N 407.452 -0.176 50 20 HBGD CCOC(=O)N[C@@H](O)C(=O)N1CC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1778785956 POMPPTAKPGJMSC-WMLDXEAASA-N 417.535 -0.268 50 20 HBGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1779087959 OUFMMIQUQRCYAJ-QILLFSRXSA-N 403.907 -0.126 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1783935291 SQNDGHZCEHGUNR-DZGCQCFKSA-N 423.283 -0.120 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCCO3)C[C@@H]21)c1ccc(B(O)O)cc1 1786978624 DVQBZQDRSUXJEG-WNHJNPCNSA-N 416.283 -0.471 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@H]3C=CS[C@H]31)C2)c1cccc(B(O)O)c1 1795741310 SXTHWRRURJUCQA-YFXBATGZSA-N 414.292 -0.555 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)[C@@H]1ON=C(c2ccccc2)O1 1797640517 RYNBSFHQCBBOPA-YHZMMZGRSA-N 423.853 -0.090 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)C=CC1=O)C2)C(Cl)Cl 1801015280 AXZRGQNQTFAMFX-WDAIWFPHSA-N 404.250 -0.305 50 20 HBGD O=C(NC[C@H]1CCN(C(=O)[C@@H]2C=CCN2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807363519 OXKFGDNDFRAOEL-HOJAQTOUSA-N 420.278 -0.391 50 20 HBGD C[C@H](Cn1ccnc1)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830737291 GSKCCTPDZQWGJB-IIDMSEBBSA-N 414.890 -0.425 50 20 HBGD CC(C)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1834795806 PCDSLRKMOVMUOJ-HXUWFJFHSA-N 404.272 -0.518 50 20 HBGD O=C(c1cnc2[nH]ncc2c1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1836808823 QIFSTHASIAKOGV-KDOFPFPSSA-N 423.857 -0.372 50 20 HBGD Cc1cc[nH]c1C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840183512 IRESUEWPWXPKCK-FQEVSTJZSA-N 421.498 -0.234 50 20 HBGD O=C(c1n[nH]c2c1CS(=O)(=O)C2)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841350518 IIGGPLPELSEVTE-NSHDSACASA-N 402.860 -0.745 50 20 HBGD C[C@H](O)C(=O)N1CC2(CCCN2C(=O)CN(C)NC(=O)NCc2ccccc2)C1 1845039538 ZEQCLEOTWGXRKC-HNNXBMFYSA-N 403.483 -0.083 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1nc3ncccn3n1)C2 1846384797 JZNDEMLNVAUAGD-UHFFFAOYSA-N 400.443 -0.686 50 20 HBGD Cc1nc(S(=O)(=O)NCCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cn1C 725879487 IBWNDQXMKUYJMR-UHFFFAOYSA-N 410.412 -0.234 50 20 HBGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@H]2CCCCN2S(C)(=O)=O)n1 728727849 MTCPDYWYFLCPIY-LLVKDONJSA-N 418.497 -0.501 50 20 HBGD Cc1nc(S(=O)(=O)NCC(=O)NNC(=O)Cn2ccc3ccccc32)cn1C 729451774 CWVVWLFUYQEILD-UHFFFAOYSA-N 404.452 -0.191 50 20 HBGD COc1ccc(Cl)cc1C(=O)NNC(=O)CN(C)C[C@H](O)CN1CCOCC1 751485497 MODWLGBGMBJQFW-AWEZNQCLSA-N 414.890 -0.266 50 20 HBGD COC(=O)c1cn([C@@H]2CCN(CC(=O)NNC(=O)Cc3nc(C)cs3)C2)nn1 760883145 LRAHFHXYHOBYQO-LLVKDONJSA-N 407.456 -0.533 50 20 HBGD O=C(CCNS(=O)(=O)c1ccccc1F)NNC(=O)CNC(=O)c1cccnc1 763825736 VZXOFAFQQXENQF-UHFFFAOYSA-N 423.426 -0.534 50 20 HBGD NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)c1 764168572 QXGUSPGNSBAJJG-CQSZACIVSA-N 422.394 -0.437 50 20 HBGD C[C@H]1CCC[C@@H](OCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1 766641343 XMZYDQPKBPRVET-NWDGAFQWSA-N 406.443 -0.824 50 20 HBGD CN(C)S(=O)(=O)c1cccc(CNC(=O)NN[C@@]2(C)CCS(=O)(=O)C2)c1 782764583 XHLNELSNPFNFJR-HNNXBMFYSA-N 404.514 -0.182 50 20 HBGD CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)NNC(=O)COc1ccccc1C#N 800746894 AYSABSGWEIZKGT-KGLIPLIRSA-N 409.468 -0.015 50 20 HBGD CSC[C@H](C(=O)NNC(=O)N1CCN(C)CC1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 807383130 LMVKCEGCSOUZJD-MELADBBJSA-N 411.528 -0.119 50 20 HBGD CCC[C@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)S(N)(=O)=O 816810202 CZZVZCZLECUERT-GFCCVEGCSA-N 406.486 -0.845 50 20 HBGD CC(C)S(=O)(=O)c1ccc(CC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 1337489680 WCWKNPCKEBYZKN-CYBMUJFWSA-N 402.494 -0.007 50 20 HBGD CN1CCN(CC(=O)N2CC[C@]3(CN(C(=O)CO[Si](C)(C)C)CCO3)C2)CC1 1778261669 KOGLWVUZDGATEQ-LJQANCHMSA-N 412.607 -0.085 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(CN(C(=O)CCN3CCCC3)CCO2)C1 1783939805 LWSQBBFQAVFGAR-HXUWFJFHSA-N 409.531 -0.325 50 20 HBGD CC(C)[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786980242 YTFQVWFCXTXMJE-LEUOFYLZSA-N 420.340 -0.086 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)[C@H]1CCCS1(=O)=O 1790744602 IOJNNVHDFKUZNH-PDWCTOEPSA-N 408.904 -0.857 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc[n+]([O-])cc3)C[C@@H]21 1791290648 GXTVNRWYFJYMIX-ULQDDVLXSA-N 419.482 -0.714 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCNC(=O)C3)[C@H]2C1 1791349876 QKRFWXGKSDAFCB-FQKPHLNHSA-N 401.891 -0.254 50 20 HBGD C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796185731 KHENWBGJYMJXDY-BZYLRBNYSA-N 411.267 -0.523 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1)c1nc2ncccn2n1 1796191060 UGADHCWSHPBVNG-MUJYYYPQSA-N 420.238 -0.630 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[C@@H]1[C@H]2C=CS[C@H]21 1800250640 SQGCWYMQRDKQEA-YFXBATGZSA-N 414.292 -0.555 50 20 HBGD CC(=O)C[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1800940633 OONFLMDLERRSCE-MBMVNNNZSA-N 417.466 -0.497 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)C3(F)CCC3)C2)C1 1835940201 YYGBPHTXVXIZRK-LJQANCHMSA-N 420.246 -0.671 50 20 HBGD Cc1cnn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1 1836193875 ZUYFWIVDVJGDQK-PBHICJAKSA-N 400.863 -0.752 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CC(=O)NC3=O)C2)C1 1839142259 LEBYMTISUXJGJP-SJCJKPOMSA-N 416.862 -0.988 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCSC(=N)N)C2)C1 1840151731 MVLCQEDETXGTHG-BLLLJJGKSA-N 422.935 -0.287 50 20 HBGD O=C(c1cn2cccnc2n1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011560 QISATEJDFAOGLS-UHFFFAOYSA-N 405.223 -0.460 50 20 HBGD C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)C(=O)NC3CC3)c2)C[C@H](C)O1 9889678 DFKCOXYFKZMMHW-RYUDHWBXSA-N 424.479 -0.476 50 20 HBGD CN(C)N(C(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O)[C@H]1CCS(=O)(=O)C1 728179663 SDBKBWCZOCYYQA-KBXCAEBGSA-N 408.480 -0.054 50 20 HBGD C[C@@H](NC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12)[C@@H](C)N1CCOCC1 729622864 CLFNZOXMZUYKMX-CHWSQXEVSA-N 402.455 -0.013 50 20 HBGD Cn1cc(N2CCN(CC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)CC2=O)cn1 750054374 BNYGENXKAFMRNZ-UHFFFAOYSA-N 401.383 -0.562 50 20 HBGD Cc1cc(C)n(CC(=O)NNC(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)n1 756101615 ZCOMFOAOYPSOKJ-WMHQRMGPSA-N 400.439 -0.363 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3cc[nH]n3)CC2)cc1 766635647 BRMMGEATUAAIRY-UHFFFAOYSA-N 406.468 -0.514 50 20 HBGD C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O 774010494 XPBYVKVDMQWCFI-BDAKNGLRSA-N 406.848 -0.952 50 20 HBGD O=C(Cn1c(S)nc2ccccc2c1=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 799578319 UDWNCENKVVBBRG-VIFPVBQESA-N 411.465 -0.797 50 20 HBGD COc1ccc(NCC(=O)NNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1 914831576 CFXWOQSIFJVLTR-GXTWGEPZSA-N 424.479 -0.710 50 20 HBGD COc1cccc(C(=O)NNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c1O 919755717 ABXAHSURQNMEPV-MNOVXSKESA-N 411.436 -0.803 50 20 HBGD COCCN1C(=O)/C(=C/NNC(=O)[C@H]2COc3ccccc3O2)C(=O)NC1=S 920977795 NGVAYDSYCWYIKY-AORWBKJGSA-N 406.420 -0.779 50 20 HBGD Cc1csc(CC(=O)NNC(=O)CN2CC[S@](=O)C[C@@H]2c2cnn(C)c2)n1 1324532568 LFWWAZRBMZDSEE-QWVSSGJLSA-N 410.525 -0.319 50 20 HBGD CC(C)(CNC(=O)NNC(=O)c1csc(N2CCOCC2)n1)S(C)(=O)=O 1340040226 RQFMBNLOHRKWKS-UHFFFAOYSA-N 405.502 -0.253 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)C3CCC(O)CC3)C2)C1 1784141419 UOVSKOHOQIIDSD-RVAKQSJFSA-N 416.283 -0.639 50 20 HBGD COC[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1784610586 YUOLMDYEUBEWHZ-KCMWZYNZSA-N 404.272 -0.758 50 20 HBGD CCC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@H]3NC(=O)NC3=O)[C@H]2C1 1785149535 MXOZQHAWJRIFAJ-YHQUGGNUSA-N 414.890 -0.028 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCCSC3)C2)C1 1785472534 GDQQALRQCRCQJA-UZLBHIALSA-N 418.324 -0.047 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCCCO3)C[C@@H]21 1791286489 GAPFQKAUUDAVDK-NXOAAHMSSA-N 410.515 -0.092 50 20 HBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc(C)c(C)[nH]c1=O 1794312524 TXIYCEFOABGHIR-XJFOESAGSA-N 412.874 -0.156 50 20 HBGD Cc1noc(C)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1794692354 DIFODKAHXPQZOA-JLVBRIDZSA-N 413.239 -0.512 50 20 HBGD CCC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNCP(=O)(O)O 1795519318 NXRGCYOEHAOPDQ-OPDFLTKYSA-N 411.823 -0.292 50 20 HBGD CCC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)N1CCOCC1 1797802788 NUMGBIOVTQGCHU-KQVLKZGSSA-N 403.907 -0.366 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c[nH]c(=O)cn1)C2 1798439849 KMLJEEWTTAMSDC-ZSBIGDGJSA-N 411.422 -0.666 50 20 HBGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccccn1 1801467911 XPOPCYWEAZMANF-REGYPHIPSA-N 423.278 -0.232 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncn(C)n3)CCO2)C1 1833885173 FGLQUHZDUNRGKA-BLLLJJGKSA-N 401.851 -0.861 50 20 HBGD O=C(c1c[nH]c(=O)cn1)N1CCO[C@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1838642840 ODTGQFAPDURGPZ-OAHLLOKOSA-N 405.238 -0.356 50 20 HBGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839966963 VHGDRNXNQGSTGV-MLGOLLRUSA-N 417.256 -0.296 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CC(N)=O)C2)C1 1840030228 FZHHEYRFCPEDAA-WQGACYEGSA-N 420.304 -0.262 50 20 HBGD CC(=O)O[C@@H](C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1)C(C)C 1843011514 LCJGOLRDNMHLNC-QGZVFWFLSA-N 402.256 -0.229 50 20 HBGD O=C(c1nn[nH]c1C(F)(F)F)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014549 XLGBCUACTCHQOH-UHFFFAOYSA-N 423.160 -0.366 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)[C@@H]1CCCS1(=O)=O)C2 1846386063 ZDNHIBANIVQHIO-ZDUSSCGKSA-N 400.501 -0.860 50 20 HBGD O=C(NNC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)C(=O)NC1CC1 10213863 NTTUCUUAKAOGKZ-UHFFFAOYSA-N 419.463 -0.727 50 20 HBGD CCNC(=O)COc1ccc(C=NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1OC 728437211 NGBMBTZZASYNEN-LLVKDONJSA-N 400.457 -0.402 50 20 HBGD Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 729275533 PIQXXMLAFHREHD-JTQLQIEISA-N 418.497 -0.866 50 20 HBGD C[C@H](CC(=O)NNC(=O)C(=O)N1CCCC1)/N=C1/NS(=O)(=O)c2ccccc21 742601274 ZDLPHRIHWRXGRO-LLVKDONJSA-N 407.452 -0.727 50 20 HBGD O=C(NNC(=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1)N[C@@H]1CCS(=O)(=O)C1 746163032 LJFYCIKWZBPJHS-TZMCWYRMSA-N 415.516 -0.132 50 20 HBGD CC(C)NS(=O)(=O)CCNC(=O)NNC(=O)COc1ccccc1[N+](=O)[O-] 746971511 CMIUVDAJFNBNRF-UHFFFAOYSA-N 403.417 -0.368 50 20 HBGD O=C(CNC(=O)c1cccs1)NNC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 749947088 DPGNIJHAOUKGPS-CYBMUJFWSA-N 409.449 -0.645 50 20 HBGD O=C(O)COc1ccc(S(=O)(=O)NNC(=O)CNC(=O)c2ccco2)cc1F 751282490 MJBSYPTVPVSPJB-UHFFFAOYSA-N 415.355 -0.378 50 20 HBGD COCCOc1ccccc1C=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O 751519586 ACSXQYSUMXDJSD-UHFFFAOYSA-N 407.452 -0.253 50 20 HBGD Cc1csc(CC(=O)NNC(=O)COC(=O)CN2C(=O)NC3(CCCC3)C2=O)n1 752862598 XDZVQHDUWKFHQY-UHFFFAOYSA-N 423.451 -0.451 50 20 HBGD COc1ncc(NC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cc1C(N)=O 757692657 NLYRYSQLNWUEGF-UHFFFAOYSA-N 411.378 -0.098 50 20 HBGD N#CCCN(CCN1CCOCC1)CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 762264799 AKOFGZQOYFEGAX-UHFFFAOYSA-N 404.427 -0.096 50 20 HBGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1cccc(Cl)c1N1CCOCC1 764435516 WFVHMQSBADQWFF-CYBMUJFWSA-N 412.830 -0.322 50 20 HBGD O=C(NNC(=O)c1n[nH]c2c1CCC2)c1cccc(S(=O)(=O)N2CCOCC2)c1 916096484 OWKQQYPVJBNYFD-UHFFFAOYSA-N 419.463 -0.006 50 20 HBGD O=C(CN1CCN([C@H]2CCS(=O)(=O)C2)CC1)NNC(=O)c1ccccc1Cl 1319494295 RKJQHYMCCJOOJY-ZDUSSCGKSA-N 414.915 -0.094 50 20 HBGD O=C(Cc1ccc(S(=O)(=O)CCO)cc1)NNC(=O)[C@H]1COc2ccccc2O1 1319627113 OZLCTXISJYFAQE-QGZVFWFLSA-N 420.443 -0.018 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)CCN3CCOCC3)CCO2)C1 1783875456 HYNIUAIJNYTBHG-CRAIPNDOSA-N 403.907 -0.208 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(O)ccc1O)CCO2 1783935541 VRUPBLCXCYSATM-FQEVSTJZSA-N 420.466 -0.086 50 20 HBGD O=C(CN1C(=O)CSC1=S)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1785539150 JSTMKKJBRCDYRS-MEBBXXQBSA-N 421.928 -0.724 50 20 HBGD COc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)nn1C 1789399001 CKFWSMQDWRWXFX-IMIFBBOLSA-N 400.863 -0.378 50 20 HBGD Cn1ccc(=O)cc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1799224677 WJUHMMBTXADCSR-BTTYYORXSA-N 424.461 -0.051 50 20 HBGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1nc(N)n[nH]1)C2 1800976693 CMSMHNVQFQVKFC-FBKDDSFISA-N 400.867 -0.837 50 20 HBGD CNC(=O)CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1815141746 RBNXMWONFZTXMN-HNNXBMFYSA-N 413.243 -0.469 50 20 HBGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1830543877 GWKAOXRTLACGMZ-LRDDRELGSA-N 417.256 -0.438 50 20 HBGD Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)nn1C 1830945393 JBIPWCUZAASYTQ-CRAIPNDOSA-N 414.890 -0.673 50 20 HBGD C[C@@H](NC=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834823977 PAPSYJBSWRSCQD-IUODEOHRSA-N 406.277 -0.638 50 20 HBGD C[C@@H]1C[C@]1(C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840184855 CQZSDIAUQAETDB-XPGWFJOJSA-N 410.515 -0.138 50 20 HBGD CN1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)C1 1840571821 RHORQYCDHCQKRY-IUODEOHRSA-N 408.268 -0.305 50 20 HBGD O=C(CCOc1ccccc1)NNC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 60996766 GPVSNYONZZSAFV-UHFFFAOYSA-N 417.466 -0.037 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(OCC(F)(F)F)cc1 728509549 HXZAYIOVVPLISG-MRVPVSSYSA-N 419.403 -0.125 50 20 HBGD C[C@H]1Cc2cc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)ccc2N1S(C)(=O)=O 729275366 OCMZANVZDWYTCH-VHSXEESVSA-N 418.497 -0.904 50 20 HBGD NC(=O)[C@H]1CCCN(CCCNC(=O)NNC(=O)c2ccc3c(c2)OCCO3)C1 729503900 AKMKPJPDUAZQQW-AWEZNQCLSA-N 405.455 -0.011 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CCCS(C)(=O)=O)cc1 731186091 IXHBJQQTJJLQEI-UHFFFAOYSA-N 405.498 -0.412 50 20 HBGD CC(=O)NC1(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CCCC1 731256869 WUUDUFWKRCBGJZ-HNNXBMFYSA-N 405.407 -0.034 50 20 HBGD CN1CCN(Cc2ccc(C(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)CC1 746163801 RLSSOBMEKITLTQ-MRXNPFEDSA-N 409.512 -0.435 50 20 HBGD COC(=O)/C=C/c1ccc(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1 747613919 YEGDUNZCXLIZMT-ZKXNXJMVSA-N 405.454 -0.880 50 20 HBGD COC(=O)c1ccc(NNC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)c(OC)c1 757198214 KNSFPZXODNTTBJ-UHFFFAOYSA-N 416.394 -0.628 50 20 HBGD CC(C)NS(=O)(=O)NCCNC(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1 759518753 ASWCESZZVAHCPC-LLVKDONJSA-N 405.452 -0.244 50 20 HBGD COc1ncnc(N(C)C)c1NC(=O)C(=O)NNC(=O)COc1ccc(C#N)cc1 763674186 NOWNGFOKMZKQQZ-UHFFFAOYSA-N 413.394 -0.412 50 20 HBGD Cc1ccc(Br)cc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 764234483 YFFXPOVPTARAJB-QMMMGPOBSA-N 421.273 -0.219 50 20 HBGD CCn1nc(C(=O)NNC(=O)CCC[C@]2(C)NC(=O)NC2=O)c2ccccc2c1=O 772705399 FYZXAMAOOFUMEW-IBGZPJMESA-N 414.422 -0.054 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1C[C@]12CCN(C(=O)OC(C)(C)C)C2 781920615 PCJULARRQJJIPZ-MMPTUQATSA-N 404.489 -0.281 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H](CCS(C)(=O)=O)c1ccccc1 790641954 NHALGOCVICSTQO-DGCLKSJQSA-N 405.498 -0.710 50 20 HBGD CS(=O)(=O)NC1CC(NC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)C1 801069015 RAQAVXKTNHHJOJ-UHFFFAOYSA-N 408.440 -0.398 50 20 HBGD COc1ccc(S(=O)(=O)NCC(=O)NNc2ccnc(N(C)C)n2)cc1OC 810428026 VTTAVRZNVOXSKP-UHFFFAOYSA-N 410.456 -0.019 50 20 HBGD O=C(CS(=O)(=O)CCCc1ccccc1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 915283279 ZWMVQVXAHNIVEC-CQSZACIVSA-N 402.494 -0.384 50 20 HBGD O=C(NNS(=O)(=O)c1cncc(Br)c1)N[C@H]1CCS(=O)(=O)C1 1257411156 IUGQBWYTSBZEOF-QMMMGPOBSA-N 413.275 -0.476 50 20 HBGD O=C(CC1(CC(=O)N2CCOCC2)CCCC1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1318259502 UBNTWNJRSKWFGM-CQSZACIVSA-N 415.512 -0.232 50 20 HBGD O=C(NNC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)N[C@@H]1CCS(=O)(=O)C1 1319918724 QSCLAUNEOIZMFA-SECBINFHSA-N 411.408 -0.186 50 20 HBGD CN1CCC[C@H](C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)C1 1780997805 MKQKUUSFTPWJDY-UWJYYQICSA-N 415.299 -0.848 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)[C@H]3C[C@@]3(F)Cl)C2)C1 1784065999 MJOHYIZZHYOPGV-JLSDUUJJSA-N 410.638 -0.266 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCOC3)C2)C1 1784719775 KMVRBSXBILLFDM-AFFAOZPPSA-N 417.466 -0.013 50 20 HBGD C[C@](O)(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)C(F)(F)F 1784872762 JBFUQMPSRJDRPN-VITBEWHZSA-N 402.797 -0.121 50 20 HBGD O=C(Cn1cncn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1787088338 JWJIPCYAGBBVOR-MRBYEJRBSA-N 404.240 -0.052 50 20 HBGD CC[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@H](O)CN3)[C@H]2C1 1789766377 YSVJBKGVMVKKNW-SOAFEQHCSA-N 418.332 -0.138 50 20 HBGD NC(=O)[C@@H](N)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]2C1 1789922727 OZPHBVPGDHPFLD-XGZQDADWSA-N 423.283 -0.751 50 20 HBGD O=C1C[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]3C2)CN1 1789924786 DMINKLYDNNOOPM-VGDATSSVSA-N 406.252 -0.207 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC(F)(F)F)C2)c1cccc(B(O)O)c1 1795737436 FVEUQXWWYQQOFC-JJLQDPRZSA-N 400.162 -0.478 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc[nH]1 1795787509 VGZLVIXBJRTGPM-YVWYUNDQSA-N 405.499 -0.090 50 20 HBGD Cc1nn(C)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)c1F 1801009651 YAFGCLUMDWNZEB-FVCICTRLSA-N 424.477 -0.556 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc(O)cn1)c1ccc(B(O)O)cc1 1803135343 SVQJICUHRQQUJQ-BCDXTJNWSA-N 409.251 -0.039 50 20 HBGD CN(C)CC(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1806454385 HPBBMTBBSMDGJB-XLIONFOSSA-N 410.283 -0.357 50 20 HBGD CC[S@](=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830732121 UXOLDVDRGPEASB-GMAKHKIPSA-N 410.920 -0.799 50 20 HBGD CCC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)CCC(N)=O)C2)C1 1831647160 RHMHOGGXLJMHJW-QWQRMKEZSA-N 418.922 -0.557 50 20 HBGD O=C(CCN1C(=O)C=CC1=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1832020358 JPIZESJSPMXPNV-DOTOQJQBSA-N 417.821 -0.708 50 20 HBGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncn(C)n3)CCO2)C1 1833883910 VKQHSMWRWHUJJA-XHDPSFHLSA-N 416.276 -0.332 50 20 HBGD O=C(c1ncon1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839200886 RLYSKXLHBSVGEE-NOZJJQNGSA-N 407.196 -0.170 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc(C)cn3)C2)C1 1840151436 BHEUZALIKYYWAZ-YJBOKZPZSA-N 414.890 -0.098 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C34CC(C3)C4)C2)C1 1840186072 ZBGIYHMQGYFAHK-RGKRWLCDSA-N 408.499 -0.384 50 20 HBGD CS(=O)(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1840549251 CLGGFDODMOJVLN-TZMCWYRMSA-N 400.856 -0.588 50 20 HBGD O=C(Nc1cccnc1)C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011483 HYGQHNFTSSJYIU-UHFFFAOYSA-N 408.223 -0.783 50 20 HBGD COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NNC(=O)N3CCOCC3)cc2)[nH]1 745985986 GSQZBKZVXBFIPE-UHFFFAOYSA-N 403.395 -0.432 50 20 HBGD O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NNC(=O)N1CCOCC1 745996003 HRUUILWEONNSTC-UHFFFAOYSA-N 401.401 -0.664 50 20 HBGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 763864606 DHKIZOAHYPZBIH-NSHDSACASA-N 420.401 -0.336 50 20 HBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1 764204326 RBJAKZSNCXDGTE-AWEZNQCLSA-N 406.443 -0.365 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CCOc2cccc(F)c2)n(C)c1=O 765724444 ILXXQALJURBNEZ-UHFFFAOYSA-N 418.385 -0.811 50 20 HBGD COC(=O)[C@@H](C)n1cccc1C=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 774587084 RPMUOPZEPURWHD-LLVKDONJSA-N 415.410 -0.881 50 20 HBGD CSCCNC(=S)NNC(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](C)O 779548774 YCYOHCXTQPLQMQ-WCQYABFASA-N 420.582 -0.119 50 20 HBGD CCC(CC)NC(=O)C(=O)NNC(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 796601381 RXBYVEHXUQMVCP-UHFFFAOYSA-N 410.456 -0.707 50 20 HBGD COC(=O)N1CCN(c2ccc(NC(=O)C(=O)NNC(=O)CC3CC3)cn2)CC1 815568860 XBCVPHURFNAOAL-UHFFFAOYSA-N 404.427 -0.144 50 20 HBGD CC(C)n1nc(C(=O)NNC(=O)CNS(=O)(=O)N(C)C)c2ccccc2c1=O 816806011 OXQQEDNLFXYTHW-UHFFFAOYSA-N 410.456 -0.866 50 20 HBGD O=C(Cc1cn2ccccc2n1)NNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 1330445211 NFCHDRKBQYLJKA-GXTWGEPZSA-N 419.463 -0.940 50 20 HBGD C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783934544 IRWYUCQQOLANQS-QRWLVFNGSA-N 410.515 -0.238 50 20 HBGD CC(C)(C)[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786983264 KOEWXZUWURZAST-DKIMLUQUSA-N 418.299 -0.633 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)c1nc2ccccn2n1 1787261530 HBSNKVZEUYWVLG-XUXIUFHCSA-N 407.858 -0.078 50 20 HBGD Cc1nn(C)cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791287943 GKHUOLNMOVLGAW-XIRDDKMYSA-N 420.514 -0.305 50 20 HBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1CCOCC1 1795470811 BPMPIPDAWZQAAU-JYYAWHABSA-N 403.907 -0.448 50 20 HBGD CCc1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)co1 1795740211 FJPFODJXTNGJGG-ZSBFGKGUSA-N 413.239 -0.566 50 20 HBGD Cc1ccn(C)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1798744316 UDRYEWBPKFQTAR-JLVBRIDZSA-N 405.499 -0.090 50 20 HBGD CN1CC(C(=O)NC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)C1 1813608042 NJNAQSUPUOMLFK-PXNSSMCTSA-N 422.294 -0.357 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCC([C@@H]2CCCCN2C(=O)COCCO)CC1 1830369436 NNTVKKUKUVSHTC-IBGZPJMESA-N 418.299 -0.391 50 20 HBGD Cc1cc(C)n(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)n1 1833035871 UCLLEJDISFDRBB-YJBOKZPZSA-N 414.890 -0.444 50 20 HBGD Cn1ncnc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1833839352 SAXHIDRHPDMWFS-HNNXBMFYSA-N 416.276 -0.330 50 20 HBGD NC(=O)[C@@H](N)CCC(=O)N1CCC(N2CCC(NC(=O)[C@H](F)Cl)CC2)CC1 1835080039 GWIRJCQGYIFZDH-ZFWWWQNUSA-N 405.902 -0.315 50 20 HBGD O=C(c1cnc(O)[nH]1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1838069635 BCJGLGGGDBMOJM-IINYFYTJSA-N 421.223 -0.124 50 20 HBGD CCN1CCC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)CC1 1840926188 PTROGRNACVUYHF-QFBILLFUSA-N 417.934 -0.226 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2[nH]nc3ncccc23)C1 1843282915 QODVEJPJOINRGO-UHFFFAOYSA-N 405.223 -0.232 50 20 HBGD Cc1cc(C)n(CC(=O)NNC(=O)NCCS(=O)(=O)N2CCSCC2)n1 730672300 FQTUJDXNBVUWBM-UHFFFAOYSA-N 404.518 -0.791 50 20 HBGD COC(=O)c1cc(Cl)cc(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 741655671 BVWOSNBWVXWTCH-ZETCQYMHSA-N 413.861 -0.626 50 20 HBGD CCNC(=O)COc1ccc(CNC(=O)NNC(=O)C(=O)N2CCCC2)cc1OC 748445726 SKQNKJANRWXADD-UHFFFAOYSA-N 421.454 -0.337 50 20 HBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)Nc1ccc(N2CCCS2(=O)=O)cc1 755594625 RSUKJXPVTIKUHV-NSHDSACASA-N 416.481 -0.186 50 20 HBGD CCS(=O)(=O)c1cccc(S(=O)(=O)NNC(=O)CNC(=O)c2ccco2)c1 760357912 ZJSNVOIUJDBQEZ-UHFFFAOYSA-N 415.449 -0.187 50 20 HBGD CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NNC(=O)c1cccn1C 763992834 JMCDOEMCJRUDJS-UHFFFAOYSA-N 419.463 -0.374 50 20 HBGD CC(C)(C)S(=O)(=O)CC(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 767192462 VCLYZMRMILIIDW-UHFFFAOYSA-N 411.889 -0.038 50 20 HBGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2cnc3c(c2)NC(=O)CO3)n1 771100932 HUJCAABRKGNLNE-UHFFFAOYSA-N 405.392 -0.276 50 20 HBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)COC)cc1 784914980 DGBVRDPYNMLPKN-NSHDSACASA-N 415.472 -0.369 50 20 HBGD CN1CCN(S(=O)(=O)N2CCN(C(=O)/C(C#N)=C/c3ccc(O)cc3)CC2)CC1 786928535 SSYIZNULBCVTLP-SAPNQHFASA-N 419.507 -0.064 50 20 HBGD Cc1cccc(C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)n1 794084566 GDQQVPUOTDHUAI-LLVKDONJSA-N 405.436 -0.383 50 20 HBGD CCCn1nc(C(=O)NNC(=O)c2nc(C)n(-c3nc[nH]n3)n2)c2ccccc2c1=O 916728512 YMEWBXGKZBXYSY-UHFFFAOYSA-N 422.409 -0.111 50 20 HBGD CC(C)[C@H](C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)N1C(=O)c2ccccc2C1=O 920433424 UHLIJZWKURDRDK-BXUZGUMPSA-N 407.448 -0.111 50 20 HBGD O=C(NNC(=O)C1CCN(c2ncccn2)CC1)c1cnc2n(c1=O)CCS2 1338561394 JSCYYXZUHAWVPA-UHFFFAOYSA-N 401.452 -0.183 50 20 HBGD CN(C)c1nccc(CNC(=O)NNC(=O)c2csc(N3CCOCC3)n2)n1 1341776679 UNJZLZPCFBKVJP-UHFFFAOYSA-N 406.472 -0.020 50 20 HBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCC(=O)NC1 1792664023 VWOVYXQTFXHZOH-FQUUOJAGSA-N 414.466 -0.537 50 20 HBGD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCBr)n1cnnn1 1795117108 MZTZLJGOFQXGIL-KQXIARHKSA-N 401.265 -0.391 50 20 HBGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)CCC(N)=O 1795529416 FOTHEPBSSDUKME-VXUPGSCNSA-N 419.320 -0.800 50 20 HBGD C=CC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2 1797945928 ANLYVEYVNWEIPC-VKISENBKSA-N 406.252 -0.043 50 20 HBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c[nH]c(=O)cn1 1799353060 UOJLWTYAVXSTEA-ZSBIGDGJSA-N 411.422 -0.666 50 20 HBGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1nccn1 1799407759 IDTUPWPOSGOBEX-FMSGJZPZSA-N 400.277 -0.101 50 20 HBGD CN[C@H](CC(=O)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@H]1c1cccnc1)C(=O)O 1807195230 CAEMBNCSHRFRDN-NHIYQJMISA-N 412.874 -0.250 50 20 HBGD Cn1cc(F)cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830727666 AQZKDNAXIJNANR-PBHICJAKSA-N 403.838 -0.166 50 20 HBGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)n(C)n1 1834157699 FNXUYNWMTHVELQ-WMLDXEAASA-N 400.863 -0.602 50 20 HBGD COCCOCC(=O)N1CCOC[C@@]2(CN(C(=O)CCBr)CCO2)C1 1834822516 RXYKSENCPJDHOF-MRXNPFEDSA-N 423.304 -0.109 50 20 HBGD O=C(c1cnnc(Cl)c1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013434 ILKWJFCTIKOHAV-UHFFFAOYSA-N 400.631 -0.059 50 20 HBGD CC(C)NC(=O)C(=O)NNC(=O)c1nccnc1C(=O)NCc1ccc(F)cc1 726524089 PKLRWIWQPLHXGE-UHFFFAOYSA-N 402.386 -0.169 50 20 HBGD CN(C)S(=O)(=O)c1c[nH]c(C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)c1 734241500 HGMQZGGYLUZJEN-UHFFFAOYSA-N 418.476 -0.266 50 20 HBGD COc1ccccc1CC(=O)NNC(=O)CCc1nc2c(O)nc(=O)n(C)c2[nH]1 746236249 UPJPROSOSVJTFK-UHFFFAOYSA-N 400.395 -0.307 50 20 HBGD CNS(=O)(=O)Cc1ccc(CNC(=O)NNC(=O)[C@H](C)OCCOC)cc1 748615368 HEVDDHAKVUASAJ-LBPRGKRZSA-N 402.473 -0.382 50 20 HBGD O=C(O)Cc1ccc(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 748641032 QSOBETQECYIQSG-UHFFFAOYSA-N 402.392 -0.087 50 20 HBGD CCN1CCN(CCC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1 750658132 ABKSTWAOLIFILB-UHFFFAOYSA-N 411.528 -0.275 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cn(-c2cccc(Cl)c2F)nn1 758043746 JYGVYVWOUDOGOX-SSDOTTSWSA-N 404.811 -0.242 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(CC(F)(F)F)cc1 764227668 PUMRIAHKLXBHLJ-MRVPVSSYSA-N 410.374 -0.185 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc(-c3ccco3)on2)n(C)c1=O 765726787 FYXCLIUDXOZZKT-UHFFFAOYSA-N 413.350 -0.857 50 20 HBGD COC(=O)[C@H]1CCN(CC(=O)NNC(=O)Cc2nc(C)cs2)[C@@H](C(=O)OC)C1 780350116 DTBQACJQBYDJLH-NWDGAFQWSA-N 412.468 -0.432 50 20 HBGD COCCn1ccc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)n1 784443403 BRIZDNSZSAFWHJ-UHFFFAOYSA-N 414.466 -0.252 50 20 HBGD C[C@@H]([C@H](C)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)S(C)(=O)=O 788262707 XWUWRTDCKDGHKL-QWRGUYRKSA-N 405.498 -0.233 50 20 HBGD Cc1cccc(=O)n1C[C@@](C)(O)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 792016377 OBFUZBZIZDRHFY-HXUWFJFHSA-N 411.418 -0.384 50 20 HBGD NC(=O)Cc1occc1C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 803938551 ULSRLWUWZMJCBI-CQSZACIVSA-N 403.347 -0.548 50 20 HBGD CCn1nncc1C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 814698629 LZBKYYHKLYUTRW-UHFFFAOYSA-N 408.440 -0.606 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)[C@H]3CCC(=O)N3)CC2)cc1 913156798 YXVSUFAIWLAJIV-OAHLLOKOSA-N 408.480 -0.178 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)CCN3CCOC3=O)C2)C1 1778160048 CFGXXGGIHHFPGG-CXAGYDPISA-N 403.863 -0.088 50 20 HBGD O=C1NCc2cc(C(=O)N3CC[C@@]4(C3)CN(C(=O)[C@@H](O)CCl)CCO4)ccc21 1778722304 SZKARPQJTJEQEU-HNAYVOBHSA-N 407.854 -0.027 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)Cc3cnn(C)c3)C2)C1 1784580231 OCUCXOQLIWVUFU-LJQANCHMSA-N 406.487 -0.835 50 20 HBGD O=C(CC(F)(F)F)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1786689164 YLWKUXGWGMVXGK-QEJZJMRPSA-N 414.189 -0.088 50 20 HBGD Cc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)cn1 1795732580 XOGZUJJGLWVESU-RMFSNUHRSA-N 423.278 -0.484 50 20 HBGD Cc1noc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnccc2C(=O)NN)n1 1798439360 XOLNERTYVBSQBX-CLLJXQQHSA-N 413.438 -0.129 50 20 HBGD CCNC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Br 1799350398 YRUOCKHPOPZEHH-SVNGYHJRSA-N 423.283 -0.026 50 20 HBGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCc1nc(N)n[nH]1)C2 1802337604 PWECGXMOKSNDDH-CLLJXQQHSA-N 406.491 -0.669 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)CCC(N)=O)[C@H]1c1cccnc1 1812633964 MUKWLGMWQJJVOV-FOIQADDNSA-N 418.498 -0.274 50 20 HBGD O=C(CN1C(=O)CNC1=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](O)CCl)[nH]n1 1815595816 ZQFTWIONKIKWAC-WDEREUQCSA-N 412.834 -0.447 50 20 HBGD COCCOCC(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833309099 NIDCIHQMVQDUCZ-MRXNPFEDSA-N 405.923 -0.179 50 20 HBGD CCC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](N)CCC(N)=O)CCO2)C1 1835557213 AGNOUSQNHBWCGW-QWQRMKEZSA-N 418.922 -0.557 50 20 HBGD Cc1noc(N)c1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1835621410 FNYGFXHRTOISPA-ZBEGNZNMSA-N 402.835 -0.765 50 20 HBGD O=C(C1=CCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935664 YIYPAOLBDWTVSR-OAQYLSRUSA-N 414.267 -0.453 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(F)CC3)C2)C1 1837460100 UPHXRTCMTODNPF-SFHVURJKSA-N 421.429 -0.743 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc[nH]n3)C2)C1 1840155515 DVBJTTCBQYFSCF-PBHICJAKSA-N 400.863 -0.338 50 20 HBGD CCOC(=O)O[C@H](C)C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1845787853 NYRDFWWOVKTTFX-CYBMUJFWSA-N 404.228 -0.255 50 20 HBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)NC2CC2)cc1 16786253 SZZAWHYBOYLLEC-NSHDSACASA-N 401.466 -0.677 50 20 HBGD CCOc1ccc(NC(=S)NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)cc1 18945187 JHFDMTCUSYBZBB-UHFFFAOYSA-N 424.508 -0.012 50 20 HBGD COc1ccc(S(=O)(=O)NNC(=O)c2ccoc2)cc1[C@]1(C)NC(=O)NC1=O 60838793 CJLUMRYNQCKISN-INIZCTEOSA-N 408.392 -0.034 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCc3nccn3C)nc2)CC1 728752099 BJZLIRHAIIUNAS-UHFFFAOYSA-N 408.488 -0.423 50 20 HBGD COCCO[C@@H](C)C(=O)NNC(=O)N[C@@H](C)CN1CCN(c2ccccn2)CC1 748633926 UKCLLCDMURCDIV-HOTGVXAUSA-N 408.503 -0.026 50 20 HBGD CNS(=O)(=O)c1csc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@@H](C)C2)c1 748839093 ZUOOHJVTMZJWJU-QWRGUYRKSA-N 404.514 -0.084 50 20 HBGD COC(=O)c1cc(C)ccc1S(=O)(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 753964420 PACDNXAQFOGWQA-JTQLQIEISA-N 405.454 -0.539 50 20 HBGD CCS(=O)(=O)NCC(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 759228668 HKSONYMRKCKODR-UHFFFAOYSA-N 406.486 -0.910 50 20 HBGD CN1C(=O)COc2ccc(NC(=O)C(=O)NNC(=O)COc3ccccc3O)cc21 764280993 VNOHAJWOWOVYIR-UHFFFAOYSA-N 414.374 -0.088 50 20 HBGD COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)C2CCC2)cc1 764335024 JPSYWSKOWPTGFD-NSHDSACASA-N 412.468 -0.114 50 20 HBGD COC(=O)c1cc(I)cc(NC(=O)C(=O)NNC(=O)CO)c1 764421083 KAYWRLQZKURMLL-UHFFFAOYSA-N 421.147 -0.844 50 20 HBGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)CN1CCN(S(C)(=O)=O)CC1 765310121 ADTPMEJZMWCRMK-UHFFFAOYSA-N 421.520 -0.984 50 20 HBGD CCCn1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)nn1 766285479 ZSFKPISWDWZXIC-UHFFFAOYSA-N 422.467 -0.216 50 20 HBGD CC(C)(C)OC(=O)N1CCC[C@@H](OCC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 767817858 HCACYYDGONHLPI-CHWSQXEVSA-N 419.500 -0.015 50 20 HBGD O=S(=O)(CBr)N1CCN(S(=O)(=O)CBr)CC1 782393772 KTJWJLZGXAIERO-UHFFFAOYSA-N 400.114 -0.032 50 20 HBGD CN1CCN(C(=O)NNC(=O)CN2C(=O)c3ccccc3N3C(=O)CC[C@@]23C)CC1 807380618 KWDIXKZYEVCHQP-FQEVSTJZSA-N 414.466 -0.026 50 20 HBGD CCOc1ccccc1OCC(=O)NNC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 816810192 CEVRCYDREJXCNU-GFCCVEGCSA-N 400.457 -0.473 50 20 HBGD O=S(=O)(NCC(F)(F)F)c1ccc(S(=O)(=O)N2CC[C@@H](B(O)O)C2)cc1 864230857 FVEYTEGNIYZXNC-SECBINFHSA-N 416.208 -0.235 50 20 HBGD C[C@H]1CN(CCC(=O)NNC(=O)CNS(=O)(=O)c2ccccc2F)C[C@H](C)O1 912918772 DKOLBDWMWWJMKV-STQMWFEESA-N 416.475 -0.249 50 20 HBGD O=C(NNC(=O)c1ccc(N2CCOCC2)c(F)c1)N[C@H]1CCS(=O)(=O)C1 1318302975 NPOAJYZVHZNTIR-LBPRGKRZSA-N 400.432 -0.207 50 20 HBGD CCC1(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)COC1 1782948117 OQBXNVSMQMHWJO-FQEVSTJZSA-N 402.256 -0.764 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnnc(Cl)c1)CCO2 1783936695 RJNGFCWZAFBCTG-GOSISDBHSA-N 424.889 -0.054 50 20 HBGD O=C(CNCP(=O)(O)O)N1CCO[C@@]2(CCN(C(=O)C(Cl)Cl)C2)C1 1783947773 ZDDDHUVQVRECDC-LBPRGKRZSA-N 404.187 -0.655 50 20 HBGD C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786983597 SMUZUKDMWWCEKE-CBVHJVASSA-N 416.283 -0.449 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)c1ccc2nncn2c1 1788371167 UOCGPHLSAUGEKE-AJNGGQMLSA-N 407.858 -0.078 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)C(=O)c1ccccc1 1795054590 AQCOTJDQDREFPM-IZZQQSIFSA-N 422.246 -0.548 50 20 HBGD Cc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)cn1 1795737230 HRHAVONQDMHKBO-RMFSNUHRSA-N 423.278 -0.484 50 20 HBGD C[C@@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)O1 1797196067 TXLZQMFQQMAALP-QMQAMEMWSA-N 402.256 -0.863 50 20 HBGD CNC(=O)CC(=O)N1CCCC2(CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1 1805921661 HLYCHFFRRJMONH-UHFFFAOYSA-N 401.272 -0.653 50 20 HBGD O=C(Cn1cncn1)N1CCCC2(CCN(C(=O)c3ccc(B(O)O)cc3)CC2)C1 1810141603 LWWBHNAHVSCHJW-UHFFFAOYSA-N 411.271 -0.497 50 20 HBGD CC[C@H](O)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1833255968 GXSQILAHMLOPHB-IBGZPJMESA-N 417.315 -0.678 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccn(C)n3)CCO2)C1 1834250078 VHZARKCVALXEKB-GUYCJALGSA-N 400.863 -0.256 50 20 HBGD COCCOCC(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1835239866 ZMOKWTFWQCFOKA-INIZCTEOSA-N 423.304 -0.109 50 20 HBGD CC(C)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1835479710 CSWJSIDTNILQCF-LJQANCHMSA-N 408.235 -0.816 50 20 HBGD CN[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)CCl)C2)C1)C(=O)O 1835751798 IKYVCPYQAQZVLI-SCLBCKFNSA-N 419.906 -0.230 50 20 HBGD Nc1n[nH]c(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)C(Cl)Cl)C3)C2)n1 1837278435 VZLCPHJRUQIHNO-HNNXBMFYSA-N 421.285 -0.420 50 20 HBGD CC(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@](C)(Cl)CCl)CCO2 1839154996 FSZHMBCPQLQYRW-HZPDHXFCSA-N 410.298 -0.185 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnccn3)C2)C1 1840150357 JRVNXZZKZSGCEJ-QAPCUYQASA-N 412.874 -0.271 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1840182717 IWEHQQZZOWAFLH-IBGZPJMESA-N 409.487 -0.634 50 20 HBGD C[C@@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(N)=O)CCO2)C1 1840918439 XAASSBLLAJEXSD-NHYWBVRUSA-N 421.292 -0.858 50 20 HBGD Cc1ccc(C)c(N2N=C(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)CCC2=O)c1 729277154 SRBWJTAXKQMNJQ-LBPRGKRZSA-N 409.468 -0.129 50 20 HBGD Cn1c(=O)c2c(ncn2CCC(=O)NNc2ccccc2S(C)(=O)=O)n(C)c1=O 732304329 VSUPQHDSFDIBRQ-UHFFFAOYSA-N 420.451 -0.629 50 20 HBGD CC[C@H](C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1)N1CCCC1=O 743419884 OXBMNCCDMCDUHA-CQSZACIVSA-N 424.527 -0.138 50 20 HBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 746097894 OGEALHBWNPPIHU-CYBMUJFWSA-N 424.527 -0.541 50 20 HBGD COC(=O)c1ccc(OC)c(S(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 747599882 AKOAWYWNZFJXGU-SNVBAGLBSA-N 406.438 -0.774 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccccc1SCCC(N)=O 756364045 SFFPDPRTNMTZKN-SECBINFHSA-N 403.486 -0.256 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H](c1ccccc1)N1CCSCC1 758038395 DRHXQVDRHHJJJL-GXTWGEPZSA-N 400.526 -0.138 50 20 HBGD O=C(CNS(=O)(=O)c1ccc(Cl)s1)NNC(=O)C(=O)Nc1ccccn1 758841308 WYIMPQUIQHRVCZ-UHFFFAOYSA-N 417.856 -0.139 50 20 HBGD O=C(COC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)NNC(=O)c1cccs1 762385617 TYLNEVZBDFCLIO-UHFFFAOYSA-N 410.433 -0.450 50 20 HBGD C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)Cc1cccnc1 763041634 GFGQOGPDPUMAEO-NSHDSACASA-N 405.436 -0.763 50 20 HBGD COc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)cc1N1CCCCC1=O 764436045 ZCPGYXPLUKQAIO-OAHLLOKOSA-N 420.422 -0.287 50 20 HBGD Cn1cc(/C=C\C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)c(=O)n(C)c1=O 765318501 IQKPEHXYXJCTMN-HJWRWDBZSA-N 409.443 -0.451 50 20 HBGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)ncc1Br 773548302 YAWJXVDPJQURNM-ZETCQYMHSA-N 422.261 -0.824 50 20 HBGD CN(C)N(C(=O)C1=NN(c2ccc(F)cc2)C(=O)CC1=O)[C@@H]1CCS(=O)(=O)C1 792855852 UXOALHQRODCZTE-CYBMUJFWSA-N 410.427 -0.020 50 20 HBGD CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)NNC(=O)CNC(=O)c2cccnc2)=NO1 802559936 HRZAAFHGDNMKFB-GFCCVEGCSA-N 420.426 -0.372 50 20 HBGD CCS(=O)(=O)N1CCN(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)[C@H](C)C1 804867848 MJMFMCHKVXQUGS-GFCCVEGCSA-N 422.471 -0.628 50 20 HBGD O=C(NC[C@H](N1CCOCC1)C(F)(F)F)NNC(=O)C(=O)Nc1ccccn1 807540786 GBTNVNFANWIQOL-JTQLQIEISA-N 404.349 -0.386 50 20 HBGD Cc1nn(C)cc1S(=O)(=O)NNC(=O)c1sc(N2CCOCC2)nc1C 808069940 MICXJUIYOUHISP-UHFFFAOYSA-N 400.486 -0.047 50 20 HBGD C[C@H]1CN(CCC(=O)NNC(=O)C(=O)N2CCN(c3ccccc3)CC2)C[C@H](C)O1 812452617 ZHSLGWWGQNPHCU-IRXDYDNUSA-N 417.510 -0.018 50 20 HBGD COc1ccc(C)cc1N1C[C@@H](C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1=O 919886406 WJODGRYKALGMOW-QWHCGFSZSA-N 424.479 -0.126 50 20 HBGD COC(=O)C(=O)NNC(=O)NC[C@@H](c1ccc(OC)c(OC)c1)N1CCOCC1 1319003023 GOFPUXCWNSPZTH-ZDUSSCGKSA-N 410.427 -0.420 50 20 HBGD CS(=O)(=O)c1cccc(NNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c1 1324939640 QZUMRNMQQWFESM-YPMHNXCESA-N 415.493 -0.431 50 20 HBGD CN(C)C(=O)NCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781326208 VIMZZSSXWUZVCD-RISCZKNCSA-N 409.256 -0.222 50 20 HBGD C[C@@](O)(CC(=O)O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784094574 PCYHTRLXGQZBQD-QLLRCSDMSA-N 406.863 -0.818 50 20 HBGD C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788609727 DKPSOPOAGZPDBH-GVARAGBVSA-N 407.496 -0.403 50 20 HBGD CCC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795732883 OVJSGFFAWZMQOM-FSDCSDTHSA-N 408.691 -0.023 50 20 HBGD O=C(CN(CCO)CCO)NC[C@@H]1CCN(C(=O)[C@H](F)Cl)[C@H]1c1cccnc1 1812713038 BXBYSBZPUDHXBE-XIRDDKMYSA-N 416.881 -0.092 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H]3CNC(=O)C3)sc2C1 1825207969 CEZYIJUREBTTMD-WDEREUQCSA-N 422.511 -0.436 50 20 HBGD CC(=O)N[C@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCC(=O)NN(C)C)CC2 1825228728 BIKDLLYNSIZLAV-PWSUYJOCSA-N 424.527 -0.047 50 20 HBGD O=C(c1cnc2ncccn12)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830727974 MHWWEIOGLJIWKC-KBXCAEBGSA-N 423.857 -0.601 50 20 HBGD O=C(c1cnn2c1CCC2)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830736173 RUYNKSBDWDHPGF-MAUKXSAKSA-N 412.874 -0.501 50 20 HBGD Cn1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1=O 1831881465 RCJGNFHTOPWMDN-KSSFIOAISA-N 413.858 -0.945 50 20 HBGD CCNC(=S)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1839654333 LKPUFMHKIOJFAV-WFASDCNBSA-N 410.899 -0.539 50 20 HBGD O=C(Cn1ccncc1=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1839664188 MFNRKLOOAZCWIN-GOEBONIOSA-N 402.810 -0.766 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3nnc(C)o3)C2)C1 1840151795 NSCFDTHZBXDQQM-CXAGYDPISA-N 416.862 -0.369 50 20 HBGD C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1840164722 PQLLIKUBBYFAQG-GUYCJALGSA-N 402.517 -0.866 50 20 HBGD C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840184742 DKKGSUWTPTZGPO-DYVFJYSZSA-N 402.517 -0.866 50 20 HBGD C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CCCC12CN(C(=O)[C@H](O)CCl)C2 1841223293 RXLMIOUEIXSRNC-BMFZPTHFSA-N 423.897 -0.031 50 20 HBGD COc1ccccc1NCC(=O)NNC(=O)CCNS(=O)(=O)c1cn(C)c(C)n1 725880435 GLKYMQWULNBFKA-UHFFFAOYSA-N 424.483 -0.335 50 20 HBGD CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NNC(=O)C(=O)NC(C)C 726613202 CZIGDMXXVUEXQC-ZDUSSCGKSA-N 416.525 -0.241 50 20 HBGD COC(=O)c1ccc(Cl)cc1S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 728510326 HAFRXTIOQBTYPZ-SSDOTTSWSA-N 413.861 -0.626 50 20 HBGD N#Cc1ccc(OCC(=O)NNC(=O)NCCCN2CCC[C@H](C(N)=O)C2)cc1 745830197 LLRPYOVKNKDJDP-HNNXBMFYSA-N 402.455 -0.145 50 20 HBGD COC(=O)[C@H](O)C1CCN(CC(=O)NNC(=O)c2ccc(OC)c(OC)c2)CC1 749535309 MJRYJVDNLHLYBN-QGZVFWFLSA-N 409.439 -0.289 50 20 HBGD O=C(CNC(=O)c1cccs1)NNC(=O)CN1C(=O)NC2(CCCCC2)C1=O 751208173 ACRJISIJEPGOSS-UHFFFAOYSA-N 407.452 -0.120 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCCN1c1ncnc2sccc12 758037012 XQZMXMHHNMZULN-GXSJLCMTSA-N 412.497 -0.255 50 20 HBGD CN1C(=O)c2ccc(NC(=O)C(=O)NNC(=O)[C@H]3COc4ccccc4O3)cc2C1=O 763570880 JNQVOQUKKFRBMV-OAHLLOKOSA-N 424.369 -0.162 50 20 HBGD COC(=O)c1cn(CCNC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)nn1 790922842 WNWYHVWWMUEZLZ-UHFFFAOYSA-N 414.382 -0.400 50 20 HBGD COC(=O)CNC(=O)NNS(=O)(=O)c1ccccc1S(=O)(=O)C(F)F 794594926 CVAOGNRJSSVGLO-UHFFFAOYSA-N 401.369 -0.652 50 20 HBGD CN(C)CCCNS(=O)(=O)c1ccc(N2CC[C@@H](B(O)O)C2)c([N+](=O)[O-])c1 864234362 UJWIQDGBYYJNQD-GFCCVEGCSA-N 400.266 -0.122 50 20 HBGD CN1C(=O)C(=O)N(CC(=O)NNC(=O)COc2ccc(Br)cc2)C1=O 916600567 OIVZURYVEFNCRE-UHFFFAOYSA-N 413.184 -0.604 50 20 HBGD O=C(CCC(=O)c1ccc2c(c1)OCCO2)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919886223 RHKLBPNIOPOFDA-GFCCVEGCSA-N 411.436 -0.062 50 20 HBGD CN1CCN(CC(=O)N2CC[C@]3(CN(C(=O)CCBr)CCO3)C2)CC1 1778257095 FGOUTCPTIHJXDK-QGZVFWFLSA-N 417.348 -0.151 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3cocn3)CCO2)C1 1779030884 JPNPVTQMQGNGCP-SFHVURJKSA-N 400.395 -0.570 50 20 HBGD CCOC(=O)N[C@@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)CO[Si](C)(C)C)C2)C1 1779296799 FVEOSSJYIWFCIV-YOEHRIQHSA-N 417.535 -0.268 50 20 HBGD COC[C@H](NC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)Br)CCO2)C1 1779317807 KAVBPORDEZIWSM-DETPVDSQSA-N 420.304 -0.249 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)CN3CCCCC3=O)C2)C1 1783758166 RZEHRMYDZBLBSS-FQEVSTJZSA-N 423.514 -0.798 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCCS3)C[C@@H]21)c1ccc(B(O)O)cc1 1786981846 CFGZHSIACSSBKZ-LEUOFYLZSA-N 418.324 -0.145 50 20 HBGD CC(=O)N(C)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1793992723 ZCMGPJWUNHNPSM-BCDXTJNWSA-N 401.272 -0.513 50 20 HBGD C[C@@H](Br)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CNC1=O 1794014375 UUMWLMWSJLWPBD-CHWFTXMASA-N 401.261 -0.040 50 20 HBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)N1CCN(C)CC1 1799186940 VUWQZLQHQKKEDV-KSWRQPAISA-N 416.950 -0.534 50 20 HBGD O=C(c1ccc([N+](=O)[O-])o1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1829480787 FNDFDNSKVVXMIL-MEDUHNTESA-N 417.802 -0.143 50 20 HBGD C[C@@H](CC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1833517275 GSHZEYOECVBEDT-SWLSCSKDSA-N 402.923 -0.331 50 20 HBGD COC(=O)N(C)CC(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 735117311 QJXGVVPLBDFNMN-UHFFFAOYSA-N 400.461 -0.841 50 20 HBGD Cn1cnc(S(=O)(=O)NCC(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)c1 765318459 HLVOGIMDLGLRAE-UHFFFAOYSA-N 418.476 -0.849 50 20 HBGD COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)NNC(=O)C(C)(C)O)cc1 768260516 CYVVTAOHEJURTN-UHFFFAOYSA-N 417.484 -0.498 50 20 HBGD CC[C@@H](C)CC[C@H](O)CC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 793674549 KWKYDBIHXLGPEH-NEPJUHHUSA-N 408.459 -0.842 50 20 HBGD COC(=O)c1csc(C(C)=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 794920861 WHQXIBDVMDFXQU-UHFFFAOYSA-N 418.435 -0.178 50 20 HBGD O=C(COC(=O)c1cnn2c1OCCC2)NNC(=O)[C@H]1COc2ccccc2O1 795728379 TWIGVPLIFBMWCY-CQSZACIVSA-N 402.363 -0.190 50 20 HBGD Cc1cccc(=O)n1C[C@](C)(O)C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1 795779487 MCKIYOKYDALBLS-FQEVSTJZSA-N 412.402 -0.216 50 20 HBGD Cn1cnc2c1c(=O)n(CC(=O)NNC(=O)Nc1ccc(Cl)cc1)c(=O)n2C 802019401 FLZWNGSHAUTOCQ-UHFFFAOYSA-N 405.802 -0.060 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cccc3ccc(O)nc23)n(C)c1=O 809724641 SPDHIOGRNXVZHM-UHFFFAOYSA-N 423.389 -0.851 50 20 HBGD COC[C@@]1(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)CCN(C(=O)OC(C)(C)C)C1 810346416 OTIFIGPHVXFTEB-BDJLRTHQSA-N 422.504 -0.655 50 20 HBGD O=C(CNS(=O)(=O)c1ccccc1F)NNc1nccc(N2CCOCC2)n1 810559648 YQPMTYGKZNXGEP-UHFFFAOYSA-N 410.431 -0.126 50 20 HBGD CCNC(=S)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](Cl)COC)CCO2 1782647467 VXMMUAAZFXTVMR-MLGOLLRUSA-N 406.936 -0.446 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1783934763 LVBZDNLLHMNRFQ-DOAWATSRSA-N 422.530 -0.339 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cnc[nH]3)[C@H]2C1 1787420783 LVPOIJPJUWUGMW-BPUTZDHNSA-N 406.487 -0.695 50 20 HBGD CC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)N3CCOCC3)C[C@@H]21 1789863523 TWTFKPWAAKGMGS-KSXIZUIISA-N 403.907 -0.366 50 20 HBGD CC(C)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)N1CCOCC1)C2 1792782894 JDQSBSHGROBDNE-XGUBFFRZSA-N 403.907 -0.508 50 20 HBGD O=C(COC(=O)C(F)(F)F)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1797652684 QAEBEZPZEHJYGC-PKIKSRDPSA-N 402.753 -0.719 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]cc1[N+](=O)[O-])c1cccc(B(O)O)c1 1798685740 FHIFZORWTHTOFW-BTTYYORXSA-N 413.199 -0.437 50 20 HBGD CC(C)(C)OC(=O)N[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1799679619 GHWFRYANEXVJGF-ZUDIRPEPSA-N 421.878 -0.981 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCC2(CCCN(C(=O)CN3CCNC3=N)C2)CC1 1809751696 WSWPFCTXRDMZOJ-UHFFFAOYSA-N 421.546 -0.569 50 20 HBGD Cc1cccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)n1 1830720410 ZKSRLAHJJZPOAD-APWZRJJASA-N 411.886 -0.011 50 20 HBGD O=C(c1ncccc1F)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1838244472 AGILFEYRTXAMAS-DYVFJYSZSA-N 401.822 -0.110 50 20 HBGD NC(=O)c1nccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1838327683 DKKVRTXEPKRTNI-LRDDRELGSA-N 415.809 -0.820 50 20 HBGD COC[C@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3C[C@H](O)CN3)CC2)CC1 1838622994 WGPDZZVLRCERTM-JQFCIGGWSA-N 417.934 -0.038 50 20 HBGD CN1CCN(CCC(=O)N2CCCC23CN(C(=O)CCC(=O)NN(C)C)C3)CC1 1842829104 INRJPHDNASZITG-UHFFFAOYSA-N 408.547 -0.800 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnnc(Cl)c1 1848272161 XBXMQVWIURQQCO-GJZGRUSLSA-N 400.631 -0.061 50 20 HBGD COc1ccccc1CC(=O)NNC(=O)NCCC(=O)N1CCN(C(C)=O)CC1 730827975 PVFSHPAGEFBELP-UHFFFAOYSA-N 405.455 -0.351 50 20 HBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)ccc1C 745977882 DSGHQQUOMHSDSB-JTQLQIEISA-N 405.454 -0.539 50 20 HBGD O=C(O)c1cc(S(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c(Cl)cc1F 746350708 LMNSTRGBSKGFRV-ZCFIWIBFSA-N 414.820 -0.079 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2ccc3[nH]ccc3c2)n(C)c1=O 756298200 UCZUTKONUQMLKY-UHFFFAOYSA-N 410.394 -0.232 50 20 HBGD C[C@@H](CC(=O)NNC(=O)N1CCOCC1)NS(=O)(=O)c1cccnc1Cl 760475437 VCMRHFJUSAGJLX-JTQLQIEISA-N 405.864 -0.135 50 20 HBGD N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)n1 764428584 JRIUBXSWIDOTJO-ZDUSSCGKSA-N 402.342 -0.616 50 20 HBGD C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCN(S(=O)(=O)CBr)CC1 774914895 XMSYPRSWHZCHGH-VIFPVBQESA-N 406.324 -0.907 50 20 HBGD COC(=O)[C@@H]1CCN(CC(=O)NNC(=O)Cc2nc(C)cs2)[C@@H](C(=O)OC)C1 780350118 DTBQACJQBYDJLH-VXGBXAGGSA-N 412.468 -0.432 50 20 HBGD Cc1nn(-c2ccncc2)cc1C=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O 783822416 ULWHEUANVFICQN-UHFFFAOYSA-N 414.451 -0.389 50 20 HBGD CCOC(C)(OCC)C(=O)NNC(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1 807369521 XLRRBRYSNGEWIA-UHFFFAOYSA-N 407.427 -0.509 50 20 HBGD COc1cc(N2C[C@H](C(=O)NNC(=O)C(=O)NC3CC3)CC2=O)cc(OC)c1OC 913470942 GMBTXHQZIVFGPN-SNVBAGLBSA-N 420.422 -0.509 50 20 HBGD CS(=O)(=O)NCCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 914881224 CBGLXMWILASFRR-UHFFFAOYSA-N 418.497 -0.829 50 20 HBGD COc1ccc(OCC(=O)NNC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 920238906 MRYTXRYKYPEYEU-GFCCVEGCSA-N 400.457 -0.172 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1ccnnc1 1785955071 ZMCFJUHRIAUZRM-SZMVWBNQSA-N 410.239 -0.937 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn3c(O)nnc13)C2)[C@H](O)CCl 1792978530 YOVXMKXOMWBKEW-LYIQGSDWSA-N 409.830 -0.762 50 20 HBGD Cc1cnc2c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@@H](O)CCl)cnn2c1 1792981839 XLDYYFMFIUZTIR-NEBZKDRISA-N 407.858 -0.159 50 20 HBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@@H]1C1CC1)C2 1797748603 LQIJEXVBWVIXRE-IJHJFAERSA-N 413.478 -0.066 50 20 HBGD Cc1n[nH]c(C)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1798013316 HKPDOWOIAFNBKG-JLVBRIDZSA-N 412.255 -0.777 50 20 HBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(OC)n(C)n1)C2 1800979087 SQCDMIBVBMOOFE-OXIQGZBJSA-N 400.863 -0.114 50 20 HBGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@](C)(O)CC(=O)O 1801007885 HAVOEQQPFHTRLE-FJTJADAOSA-N 421.288 -0.025 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC(F)(F)C(=O)O)C2 1801011138 HCELBHJAAVNLHE-QHBPRCKVSA-N 420.413 -0.941 50 20 HBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)[C@H](O)CCl)[nH]n1)c1cccc(B(O)O)c1 1817473795 AFRDJBQXKZYZPO-HUUCEWRRSA-N 420.662 -0.005 50 20 HBGD Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)nn1C 1830945394 JBIPWCUZAASYTQ-MAUKXSAKSA-N 414.890 -0.673 50 20 HBGD O=C(CN(CCO)CCO)N1CCC(OC2CCN(C(=O)[C@H](F)Cl)CC2)CC1 1838085219 ZPQIHKIQKAISHM-KRWDZBQOSA-N 423.913 -0.194 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cnnn3)C2)C1 1839152156 PMSRBRVAEPYLEC-CABCVRRESA-N 421.285 -0.634 50 20 HBGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NC=O)CCO2 1839166199 ICCWDWKWTUJYAG-XEZPLFJOSA-N 420.304 -0.249 50 20 HBGD CC1CCC(N2C[C@H](C(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2=O)CC1 731343550 XDSYNMPRFYNLTR-CEUNDQEZSA-N 400.501 -0.069 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)NNC(=O)c1cnn(-c2ccccc2)c1 733343568 WQRHFKZVJIHIMN-UHFFFAOYSA-N 411.378 -0.130 50 20 HBGD CCn1nc(C(=O)NNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c2ccccc2c1=O 748697544 MXIRKAJFQCAMOS-UHFFFAOYSA-N 412.362 -0.053 50 20 HBGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)c(C)o1 751350487 GEIGTEMGXUALNX-UHFFFAOYSA-N 415.449 -0.026 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CNC(=O)c1cc(-c2ccccc2)on1 758039485 KZNQGAIRTODVAJ-SNVBAGLBSA-N 409.424 -0.844 50 20 HBGD NC(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)C(=O)N1CCCC1 760138318 FMYGMZLFGGUYJV-CQSZACIVSA-N 419.438 -0.683 50 20 HBGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)c1ccc(S(N)(=O)=O)nc1 762876407 VOJAQLRGKMWOHZ-UHFFFAOYSA-N 406.420 -0.416 50 20 HBGD CC[C@H](C)NC(=O)CN1CCN(CC(=O)NNC(=O)c2cccc(C#N)c2)CC1 771091147 OQQVVLCFVKBJAA-HNNXBMFYSA-N 400.483 -0.148 50 20 HBGD CCN1CCC[C@@H]1CN1C[C@H](C(=O)NNC(=O)CNC(=O)OC(C)(C)C)CC1=O 778433500 MZBONRJNSHEFQK-ZIAGYGMSSA-N 411.503 -0.009 50 20 HBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC 784915959 KWOGFOMSIIFLIN-UHFFFAOYSA-N 401.445 -0.424 50 20 HBGD Cc1cccc(C(=O)NNC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)n1 794086899 XTNJNTSVQBLVEH-LBPRGKRZSA-N 417.447 -0.148 50 20 HBGD CCOC(=O)c1ccc(F)c(S(=O)(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 795291009 PSIIYOOCVKBVBQ-JTQLQIEISA-N 408.429 -0.253 50 20 HBGD COc1cccc(NCC(=O)NNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)c1 825791802 WUHQXXFDSLUKMG-UHFFFAOYSA-N 405.436 -0.248 50 20 HBGD O=C([C@H](F)Br)N1CCO[C@]2(CCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1779097966 UDEZUAYPEOZHSB-LNSITVRQSA-N 424.267 -0.843 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnncc3C(=O)O)C2)C1 1779527925 JZHWQMJJPATJPZ-GUYCJALGSA-N 412.830 -0.128 50 20 HBGD N#Cc1c[nH]c(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1 1780332984 MSZMHYILHACFPE-FQEVSTJZSA-N 408.223 -0.677 50 20 HBGD CN1CCCC[C@@H]1C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1781027260 HEQCIVNGJYKWFI-WIYYLYMNSA-N 415.299 -0.706 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)c1ccco1)CCO2 1783933379 WKDUHUYKQWBMJL-MJGOQNOKSA-N 408.455 -0.484 50 20 HBGD C[C@](Cl)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@@H](N)C(N)=O)C[C@@H]21 1789866394 QPAYARQDXHLIAA-QLLRCSDMSA-N 423.341 -0.205 50 20 HBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COC(=O)C(F)(F)F 1797655849 FTLODJJGXFIOBK-DTHBNOIPSA-N 416.780 -0.065 50 20 HBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC1(F)F)C2 1797750952 WOHMFVAHGIKJDM-DJBIQUGXSA-N 409.393 -0.457 50 20 HBGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCSCC1)C2 1800973655 LFPKWOCLJZZFFJ-HLPPOEQASA-N 405.948 -0.121 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)c1ccccc1)C2 1801013304 MGEFYQIQBDYTAO-WOUAJJJCSA-N 418.494 -0.317 50 20 HBGD CN(CC(=O)N1CCC2(CCCN(C(=O)[C@H](O)CCl)C2)CC1)C(=O)C(=O)O 1805525825 GCLIEJAENBNKKA-GFCCVEGCSA-N 403.863 -0.640 50 20 HBGD O=C1NC(=O)[C@H](CC(=O)N2CCC([C@H]3CCCCN3C(=O)[C@H](O)CCl)CC2)N1 1824178853 LTUXYRPPMQQSMC-BFHYXJOUSA-N 414.890 -0.196 50 20 HBGD O=C(CN(CCO)CCO)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](F)Cl)CC2 1825324593 YXLYKWZUSHOJGT-TVQRCGJNSA-N 408.883 -0.124 50 20 HBGD COc1ncccc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830725446 ONQRIQKOJUWIPO-KDOFPFPSSA-N 413.858 -0.240 50 20 HBGD Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)nn1C 1830945395 JBIPWCUZAASYTQ-QAPCUYQASA-N 414.890 -0.673 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CNC(=O)O1)CCO2 1831572867 ZWKZFUYCOHVONR-GUYCJALGSA-N 415.519 -0.597 50 20 HBGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)nn1C 1834115150 JWVNNOQSRZFZDZ-RHSMWYFYSA-N 400.863 -0.602 50 20 HBGD O=C1CC[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)CCBr)CCO3)C2)N1 1834822242 DUKKCOHFTHHISO-LRDDRELGSA-N 418.288 -0.494 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CNC(=O)C1)CCO2 1839870593 OOMWBQWEJOSPIX-KSSFIOAISA-N 413.547 -0.570 50 20 HBGD COC(=O)c1ccc(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)cn1 1843496068 WJGMFNOYUKTVAZ-UHFFFAOYSA-N 423.234 -0.321 50 20 HBGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)[C@H]1Nc2ccccc2S(=O)(=O)N1 727752960 NRYRMPHMGMYVBS-ZFWWWQNUSA-N 404.404 -0.296 50 20 HBGD Cn1c(CC(=O)NNC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)nc2ccccc21 742473723 GNROGIOVHAOCDV-XHSVMWQWSA-N 411.418 -0.574 50 20 HBGD Cc1cccc(C(=O)NNC(=O)COC(=O)CNS(=O)(=O)c2c(C)noc2C)c1 744522137 WGCZRKXZVMJXSD-UHFFFAOYSA-N 424.435 -0.117 50 20 HBGD Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)NNC(=O)C(=O)N1CCCC1 746186234 PXWVAWYMEKSZNV-UHFFFAOYSA-N 405.455 -0.627 50 20 HBGD COCCN1C(=O)/C(=C\NNC(=O)Cc2cn3ccccc3n2)C(=O)NC1=S 746806986 LDENHVFGOOGDTO-XFXZXTDPSA-N 402.436 -0.729 50 20 HBGD O=C(NNc1ccc(C(F)(F)F)nn1)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 755194557 RJNJXDIITYJLED-IUCAKERBSA-N 407.374 -0.026 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 755641145 MBSGOXCKPQFELU-GXFFZTMASA-N 413.456 -0.106 50 20 HBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)n1 762965660 ZOHUBXRBLGDEHI-LBPRGKRZSA-N 422.467 -0.887 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 764233286 UHTNWFKXDXIRQN-GSVOUGTGSA-N 418.300 -0.594 50 20 HBGD Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)NNC(=O)CO)CC1 777782872 UNNGYCAEWBJPIV-UHFFFAOYSA-N 400.413 -0.556 50 20 HBGD COCCO[C@@H](C)C(=O)NNC(=O)NCCN(C)S(=O)(=O)c1ccc(F)cc1 798118190 IYKCJRZHERDIGX-LBPRGKRZSA-N 420.463 -0.172 50 20 HBGD CNC(=O)CNC(=O)c1cccc(NC(=O)NNC(=O)Cn2nc(C)cc2C)c1 800597329 UVASTYNEMPNLOB-UHFFFAOYSA-N 401.427 -0.171 50 20 HBGD O=C(COc1ccccc1O)NNC(=O)C(=O)Nc1cccc2c1OCC(=O)N2 810387054 CXINXOZMJARKRJ-UHFFFAOYSA-N 400.347 -0.112 50 20 HBGD Cc1cc(C)cc(OCC(=O)NNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c1 914878844 PVXXYJZEEKBRTP-CABCVRRESA-N 423.491 -0.135 50 20 HBGD CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)NNC(=O)C(=O)NC2CC2)c1 915064138 PTRKDXUDMRUVBI-UHFFFAOYSA-N 412.468 -0.235 50 20 HBGD CN1CCN(CC(=O)N2CCO[C@]3(CCN(C(=O)[C@H](F)Br)C3)C2)CC1 1781330341 WPXVPFYCVJSEDY-GOEBONIOSA-N 421.311 -0.246 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCCC1)C2 1782210424 ROTZXSIRUGGBSI-DYESRHJHSA-N 423.558 -0.031 50 20 HBGD O=C(Cc1ccccc1O)N1CC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1783235658 VHODORUNDUPXLN-QFIPXVFZSA-N 424.262 -0.242 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(CN(C(=O)/C=C\C(=O)NC3CC3)CCO2)C1 1783934504 IFAUGLLOQRZJAI-BPJPHKDRSA-N 421.498 -0.976 50 20 HBGD CN[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](Cl)COC)C[C@@H]21)C(=O)O 1786899479 IIRXLFZXSJBZSY-HPCHECBXSA-N 405.879 -0.717 50 20 HBGD O=C(CN1CCCC1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2 1795449067 IZNBWQNDFSVZQY-DRXBFXEBSA-N 402.289 -0.017 50 20 HBGD CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Cl 1796361294 MNGSZZRLOAAMHD-MLGHIDQZSA-N 423.869 -0.004 50 20 HBGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2)N1C[C@H]2C[C@@H]2C1 1797637512 MENYWZOJVBFLKK-YTWOZJEVSA-N 421.542 -0.711 50 20 HBGD Cc1nn[nH]c1C(=O)N1CCCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1 1810315096 TZUSHEQKCPYHMY-UHFFFAOYSA-N 411.271 -0.048 50 20 HBGD CN(C)CC(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815339995 ZQJNGDBLUJAOLZ-CYBMUJFWSA-N 402.285 -0.390 50 20 HBGD CNC(=O)CC(=O)N[C@@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826083085 JSZUPIWLUOSLOV-SNVBAGLBSA-N 410.500 -0.436 50 20 HBGD COCCOCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](Cl)COC)C2)C1 1835247964 FQYPDKXNHZNVGQ-PBHICJAKSA-N 408.879 -0.640 50 20 HBGD O=C(c1cc2cccnn2n1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1838421831 HIAOKQYECATFSK-YJBOKZPZSA-N 423.857 -0.601 50 20 HBGD O=C(COc1cccnn1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1840409184 BCNASCWRMKUPCU-ZBFHGGJFSA-N 402.810 -0.154 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)[C@@H]1CNC(=O)O1)C2 1843415277 HYBPCUKYPLBTTM-PUFAJPFRSA-N 402.411 -0.568 50 20 HBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)CN(C)C(=O)C2CC2)CC1 735116647 AXIUKNCDXKBXAC-UHFFFAOYSA-N 410.500 -0.671 50 20 HBGD NS(=O)(=O)c1ccccc1S(=O)(=O)NNC(=O)[C@H]1COc2ccccc2O1 741650219 YSCOFQMZEDURPB-GFCCVEGCSA-N 413.433 -0.517 50 20 HBGD Cc1ccc(C(=O)NNC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 745481472 JNWRCRFBSRPCHI-KFZJALRRSA-N 415.402 -0.538 50 20 HBGD C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 746385671 IRMMYNWCTNSORS-CABCVRRESA-N 422.457 -0.079 50 20 HBGD CCNC(=O)N1CCc2ccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc21 756736772 JAKPAOPCJMHGIE-JTQLQIEISA-N 412.472 -0.131 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H](c1cccc(F)c1)N1CCOCC1 758035632 MKNLUYNOGRMVIS-FZMZJTMJSA-N 402.448 -0.716 50 20 HBGD COCC(=O)N(C)CC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 759660203 IGSBJPCQAMMXNP-UHFFFAOYSA-N 413.500 -0.829 50 20 HBGD Cc1csc(CC(=O)NNC(=O)COC(=O)Cn2nnc3ccccc3c2=O)n1 759944850 FIJPLOXTNNWMSF-UHFFFAOYSA-N 416.419 -0.510 50 20 HBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 764204434 UZAZOFBKFMSVHM-UHFFFAOYSA-N 417.463 -0.450 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc2nc(C3CC3)oc2c1 764226148 GFIYIMMELKVJTC-QMMMGPOBSA-N 409.424 -0.271 50 20 HBGD Cc1ccc(CCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)c1 765731907 STOJSXMGGPUOPB-UHFFFAOYSA-N 412.450 -0.169 50 20 HBGD CCCCOc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cn1 773496475 MSEARYOWJYUZEZ-SNVBAGLBSA-N 401.445 -0.716 50 20 HBGD COCCO[C@H]1COCC[C@H]1NC(=O)NNC(=O)CNC(=O)c1cccs1 776868567 RTNXXMANMYLBLF-NEPJUHHUSA-N 400.457 -0.371 50 20 HBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N(C)C)c1 784917777 VSYNHVMXGJHMBO-UHFFFAOYSA-N 415.472 -0.033 50 20 HBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)NC[C@H]1CCCCN1S(C)(=O)=O 805835714 QXBWBNTUIOMWBV-LLVKDONJSA-N 407.493 -0.344 50 20 HBGD CN(CC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O)[C@H]1CCS(=O)(=O)C1 914531888 LYQYAYXQSQBBFA-ZDUSSCGKSA-N 407.452 -0.542 50 20 HBGD O=C(CS(=O)(=O)CCCc1ccccc1)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919886906 WHDMTGUDAWTQCI-AWEZNQCLSA-N 417.509 -0.449 50 20 HBGD Cc1csc(CC(=O)NNC(=O)COC(=O)C2CCN(S(C)(=O)=O)CC2)n1 1322097512 SNCJILZGCGPEOR-UHFFFAOYSA-N 418.497 -0.644 50 20 HBGD C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783934801 MYWSJKFTDLXSJM-FQEVSTJZSA-N 424.498 -0.301 50 20 HBGD C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788609728 DKPSOPOAGZPDBH-PKIAMQTDSA-N 407.496 -0.403 50 20 HBGD Cc1nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)co1 1791288756 SHJAVQAJOIDAIR-DZKIICNBSA-N 407.471 -0.051 50 20 HBGD CCOCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1791738930 CHDSMOXHYWTFGZ-JQFCIGGWSA-N 419.482 -0.295 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccccc1O 1794521886 IVZVHBBDRGMMLV-CCWDJLKJSA-N 410.235 -0.411 50 20 HBGD NC(=O)c1ncccc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1794561180 XXEXBCJFZXZRCM-MUJYYYPQSA-N 422.250 -0.574 50 20 HBGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cnnn1)C2 1800640026 TXMHIGOVMVAJBE-LSCVPOLPSA-N 401.265 -0.564 50 20 HBGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)N1CCN(C)CC1)C2 1800977874 ZXQDPVUWROXKHK-NQNKBUKLSA-N 416.950 -0.534 50 20 HBGD NC(=O)[C@H](N)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](O)CCl)CC2 1815053886 SSCOGYVOIVATRF-QXFUBDJGSA-N 403.892 -0.752 50 20 HBGD Cc1[nH]nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1F 1830725679 RALZCMOZNRVWCQ-BDJLRTHQSA-N 404.826 -0.473 50 20 HBGD O=C(c1cnn2ncccc12)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013709 CQFYSRTVUOZEJV-UHFFFAOYSA-N 405.223 -0.460 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)[C@H](COC(C)=O)OC(C)=O)C1 1844288142 JMFBFXHMHSWKKQ-KGLIPLIRSA-N 404.847 -0.062 50 20 HBGD Cn1cc(S(=O)(=O)NCC(=O)NNC(=O)c2cccc(OC(F)F)c2)cn1 728545025 SURXZQUYWQSCNI-UHFFFAOYSA-N 403.367 -0.239 50 20 HBGD CC(=O)N[C@H](CC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1ccc(Cl)cc1 729274986 ITUZSQDPDDEAOQ-TVQRCGJNSA-N 404.876 -0.008 50 20 HBGD CCS(=O)(=O)N(C)C1CCN(C(=O)NNC(=O)CNC(=O)c2ccco2)CC1 731366294 YHEGHXAEEWMTHI-UHFFFAOYSA-N 415.472 -0.504 50 20 HBGD CS(=O)(=O)NCc1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)o1 754142118 TXTUBAUPXMMWLZ-UHFFFAOYSA-N 420.403 -0.182 50 20 HBGD Cn1cnn(-c2ccc(NC(=O)C(=O)NNC(=O)Cc3ccsc3)cc2)c1=O 764035933 VDAFRIKTELIWTP-UHFFFAOYSA-N 400.420 -0.039 50 20 HBGD CNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)c2ccccc2O1 764153944 NJFMCJXYRLZRCF-IAGOWNOFSA-N 424.413 -0.322 50 20 HBGD CCOC(=O)Cn1ccc2cc(NC(=O)C(=O)NNC(=O)[C@H]3COCCO3)ccc21 764427309 YWJCGSVMCYCXSZ-OAHLLOKOSA-N 418.406 -0.294 50 20 HBGD Cc1ccn(CC(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c(=O)c1 773701039 DUXGQGDFLCDWMI-OAHLLOKOSA-N 401.375 -0.313 50 20 HBGD COC(=O)c1c(NC(=O)C(=O)NNC(=O)C(=O)NC2CC2)sc2c1CCCC2 782964324 CKVPHRSQQFKGGY-UHFFFAOYSA-N 408.436 -0.222 50 20 HBGD COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNC(=O)N3CCN(C)CC3)C2=O)cc1 788169489 PLEZAKNWBZSCJA-LJQANCHMSA-N 418.454 -0.550 50 20 HBGD NS(=O)(=O)N1CCC[C@H](C(=O)OCC(=O)NNC(=O)c2cccc(Cl)c2)C1 815267814 ZWWSACFINQIVDZ-NSHDSACASA-N 418.859 -0.440 50 20 HBGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)CCn1ncn(C)c1=O 815272109 NJWGEIYPTJLMGM-UHFFFAOYSA-N 411.802 -0.362 50 20 HBGD O=C(NNC(=O)[C@H]1CCCO1)C(=O)Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O 815780151 LHWBLVQHSALZEI-CQSZACIVSA-N 400.391 -0.043 50 20 HBGD O=C(Cc1c[nH]c2ccccc12)NNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 912953252 ZBPPNINELYDOSM-UONOGXRCSA-N 418.475 -0.107 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3cscn3)CCO2)C1 1779031685 VQADTNPREDSDGN-GOSISDBHSA-N 416.463 -0.101 50 20 HBGD C[C@@H](Cn1cncn1)C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1779223341 HHQQVZLILJPFTO-HNAYVOBHSA-N 421.502 -0.883 50 20 HBGD Cc1c(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cn2[nH]cnc(=O)c12 1780015847 DWGOYUDUVMOQFD-ACJLOTCBSA-N 423.857 -0.626 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1 1783877370 IJQUORNUFUWPJM-BDJLRTHQSA-N 400.867 -0.597 50 20 HBGD NC(=O)c1ncccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784087100 XYABEBVXQGGODP-PYJNHQTQSA-N 410.858 -0.627 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCCCC3)[C@H]2C1 1786716227 ROEFIYSJMNMNIK-BZSNNMDCSA-N 423.558 -0.175 50 20 HBGD COCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788607776 GWDQMCYSZVOGQV-JQFCIGGWSA-N 419.482 -0.295 50 20 HBGD O=C(CCN1CCOCC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796187284 VXKTXMFELCTMHZ-REPLKXPHSA-N 415.299 -0.660 50 20 HBGD Nc1ncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)s1 1830722892 IOOHDBSSPZUIHI-BMIGLBTASA-N 404.876 -0.605 50 20 HBGD CC1CCN(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)CC1 1830726152 OFEOBYVDXGQKCF-LPHOPBHVSA-N 417.934 -0.226 50 20 HBGD O=C(/C=C/C1CC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1830787627 SKZOHTXJLZWEQN-OYCQWZNWSA-N 414.267 -0.597 50 20 HBGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)N(C)C)CCO2)C1 1835426997 QJIHDYLOAQKGRF-LRDDRELGSA-N 420.304 -0.438 50 20 HBGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)n[nH]1)CCO2 1835852617 IMLZNYHRBYOIPJ-HNNXBMFYSA-N 417.260 -0.030 50 20 HBGD O=C(/C=C/C1CC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835934056 LMJOKIKAEHEBBW-IRUYWQDXSA-N 414.267 -0.597 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CS(=O)(=O)CC)C2)C1 1839142584 SWTRBYSDDIQBET-CZUORRHYSA-N 410.920 -0.105 50 20 HBGD O=C(CCCn1ccnc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840383575 UJPZYRPLOIFZRF-YJBOKZPZSA-N 414.890 -0.281 50 20 HBGD O=C(c1cc2n(n1)CCCO2)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011512 KZNGBSAANQZPFH-UHFFFAOYSA-N 410.239 -0.524 50 20 HBGD CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 10214388 RXJUXKLZXYXVEC-WCQYABFASA-N 417.509 -0.041 50 20 HBGD Cc1nc2ccccn2c1C(=O)NNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 15668070 ARHJJHPLXJQHPB-UHFFFAOYSA-N 400.420 -0.099 50 20 HBGD Cc1csc(CC(=O)NNC(=O)COC(=O)CNC(=O)c2ccc(O)cc2)n1 728734843 MFVXGLKQKPXPRW-UHFFFAOYSA-N 406.420 -0.180 50 20 HBGD O=C(Cn1ccc2ccccc21)NNC(=O)NCCS(=O)(=O)N1CCOCC1 729499416 DTKKUJCFYRSPGY-UHFFFAOYSA-N 409.468 -0.366 50 20 HBGD CC(=NNC(=O)C(=O)NC(C)C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 729816457 MLPZQDGOSDADGA-UHFFFAOYSA-N 418.497 -0.223 50 20 HBGD CO[C@@H](C)C(=O)Nc1cccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 756226918 CDSYOKAVIYKPGE-ZJUUUORDSA-N 401.445 -0.250 50 20 HBGD Cc1sc2ncn(CC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c(=O)c2c1C 758041063 VMXKOOIEVYLPDJ-QMMMGPOBSA-N 401.470 -0.840 50 20 HBGD COc1cc2c(cc1C=NNC(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)OCO2 758878833 LXCQPCNUPLUWEL-UHFFFAOYSA-N 414.378 -0.679 50 20 HBGD Cc1cccc(O[C@@H](C)C(=O)NNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)c1C 763841227 PBLXJWUZCRMRBX-JQWIXIFHSA-N 400.457 -0.989 50 20 HBGD CN(C)C(=O)Cn1cc(NC(=O)C(=O)NNC(=O)Cc2ccc(Cl)cc2)cn1 763930456 ASSSBJYICSALGD-UHFFFAOYSA-N 406.830 -0.047 50 20 HBGD CC(C)(C)OC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)cn1 764423886 DHMGPGMXJXRJDD-LLVKDONJSA-N 409.399 -0.070 50 20 HBGD CC(C)(C)S(=O)(=O)CC(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 767742449 SZYJFKOGXMSCHU-UHFFFAOYSA-N 424.523 -0.195 50 20 HBGD COC(=O)C1(CNC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CCOCC1 781781487 KWNHBVJRDDCCBH-UHFFFAOYSA-N 403.399 -0.424 50 20 HBGD Cc1noc(C)c1C(C)(C)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 797742551 KHKDINRGFXKACI-UHFFFAOYSA-N 417.426 -0.836 50 20 HBGD CCOC(=O)c1cnc(NNC(=O)CNS(=O)(=O)c2c(C)noc2C)nc1C 810931691 GMBMNWHGOFOWSM-UHFFFAOYSA-N 412.428 -0.012 50 20 HBGD CCc1ccccc1OCC(=O)NNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 914830129 YZODABARATWIJG-CABCVRRESA-N 423.491 -0.189 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CCn2cc([N+](=O)[O-])cn2)cc1 919839411 JBVOKAZQBOUDAV-UHFFFAOYSA-N 424.439 -0.042 50 20 HBGD C=CCS(=O)(=O)CCNC(=O)NNC(=O)c1sc(N2CCOCC2)nc1C 1116535241 WWALYNCHUMBADC-UHFFFAOYSA-N 417.513 -0.167 50 20 HBGD CCN1CCOC[C@H]1C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 1120611080 MVDKGXSKHLZLRH-KRWDZBQOSA-N 403.483 -0.688 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCOCC3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979501 QKVXHFLTBYOJSI-WDSOQIARSA-N 416.283 -0.614 50 20 HBGD Cc1nnc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)s1 1792975079 INEYCUFGRXXZQT-OXIQGZBJSA-N 402.904 -0.032 50 20 HBGD CCS(=O)(=O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2 1793319235 MFZFGAIYRFYITL-RBLKWDMZSA-N 415.281 -0.299 50 20 HBGD CCC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)N1CCOCC1)C2 1793449307 SYDYXTBXDCRZDW-JRBZFYFNSA-N 403.907 -0.366 50 20 HBGD Cc1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1796668657 YBGYJDYRXKOUOA-HGKCTWBKSA-N 409.251 -0.413 50 20 HBGD CS(=O)(=O)CC(=O)N1CC[C@H](CNC(=O)[C@H](O)CCl)[C@H]1c1cccnc1 1803138635 LWRHJFBZVSMIFI-UMVBOHGHSA-N 403.888 -0.268 50 20 HBGD NC(=O)[C@H](N)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](O)CCl)n[nH]1 1814869811 CAYMQXOYYYTFAG-ADEWGFFLSA-N 400.867 -0.406 50 20 HBGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1)C1(O)CCC1 1830719788 KOAPNHXHXLLHNM-CKEIUWERSA-N 404.891 -0.406 50 20 HBGD O=C([C@@H](O)CCl)N1CCOC[C@@]2(C1)CN(C(=O)C(F)(F)C(F)F)CCO2 1832183184 LBLQHZUUVLIMQG-TVQRCGJNSA-N 406.760 -0.057 50 20 HBGD CC(C)(C)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835935459 FVDKYOJAXJSTFS-NRFANRHFSA-N 418.299 -0.127 50 20 HBGD O=C(c1cc2cn[nH]c2cn1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837192254 JQXDITOGJBESPR-QAPCUYQASA-N 423.857 -0.372 50 20 HBGD CCNC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1837383052 TVJXNTKBJZZBQW-XHBSWPGZSA-N 408.858 -0.315 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cncn3)C2)C1 1840032383 WZZYCXXFKXMKJJ-SWLSCSKDSA-N 416.276 -0.482 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn(C)cn3)C2)C1 1840150026 DVTQOCVVVPDEAU-SUMWQHHRSA-N 400.863 -0.256 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)[C@H]1CNC(=O)C1)C2 1843417081 UFOZLBBHUFCJMW-UMYHVIPVSA-N 400.439 -0.540 50 20 HBGD O=C1OCCN1CCC(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1843856935 NTMFLKPPTOVRIE-UHFFFAOYSA-N 401.228 -0.974 50 20 HBGD CC(C)(C)OC(=O)NCC(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1846088495 SUHVYHVBBFEHSJ-UHFFFAOYSA-N 417.271 -0.292 50 20 HBGD O=C(Cc1ccccc1F)NNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 731330102 NVXTYJGPOHCYMR-GFCCVEGCSA-N 410.427 -0.319 50 20 HBGD CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NNC(=O)Cc2cccnc2)cc1 741923033 LAZLWRRJKSDAEO-UHFFFAOYSA-N 404.448 -0.053 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(C)(C)NS(C)(=O)=O)cc1 742034701 UDZHHRANUWHTHJ-UHFFFAOYSA-N 420.513 -0.909 50 20 HBGD O=C(CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)NNC(=O)C(=O)N1CCCC1 748239926 MWEMIEUNBXMUPZ-INIZCTEOSA-N 413.434 -0.768 50 20 HBGD CNS(=O)(=O)CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 751558160 OWCOAWOQXITILX-UHFFFAOYSA-N 418.497 -0.829 50 20 HBGD CCN1C(=O)[C@H]2CN(CC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)CCN2C1=O 752338104 KSOLDFMSZRXUDW-CYBMUJFWSA-N 404.383 -0.676 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F 764232695 SVXRVUDRJIVJCC-ZETCQYMHSA-N 419.366 -0.817 50 20 HBGD COCC(=O)NNC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1Cl 764300664 VPQKMTUBBOPLOM-UHFFFAOYSA-N 404.832 -0.388 50 20 HBGD CS[C@H](C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1 766635933 JWXAEXXGUSEVGX-AWEZNQCLSA-N 416.463 -0.315 50 20 HBGD COC(=O)CNC(=O)NNS(=O)(=O)c1ccc(OC[C@@H]2CCOC2)c(F)c1 767471661 DHLJIMLCLHROCH-SNVBAGLBSA-N 405.404 -0.094 50 20 HBGD C#CCNS(=O)(=O)c1cccc(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)c1 778436666 NICHWEYUDIHHRP-UHFFFAOYSA-N 410.452 -0.116 50 20 HBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNS(=O)(=O)C[C@@H]1CCCOC1 795334738 KWEANVBWVCUPIM-MRXNPFEDSA-N 424.523 -0.178 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCC4)C2)C1 1778671328 APBDDSBYJHWRAW-HXUWFJFHSA-N 418.498 -0.354 50 20 HBGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](Cl)COC)CCO2)C1 1778789226 APNCOWKSGFHHGK-OZVIIMIRSA-N 407.851 -0.865 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1779093892 ARCOOPZWITWDDT-BJJXKVORSA-N 420.304 -0.750 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 1783585160 CACBTXVBYIMUAI-DCXXXQMHSA-N 414.267 -0.623 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1783879045 NTIANFLXQNEHDB-IINYFYTJSA-N 415.796 -0.251 50 20 HBGD CC(C)(C)[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1784022491 JOHFOLYHIQDPHK-DKIMLUQUSA-N 418.299 -0.633 50 20 HBGD O=C(CCc1cnccn1)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1784558915 PXEJRIGVVVSQBK-NRFANRHFSA-N 424.266 -0.767 50 20 HBGD Cc1nccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)n1 1787691673 PPTMBCQGUWZRLA-IEZWGBDMSA-N 424.266 -0.628 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H]1CCCCO1 1793771172 YWWGOAHWRJXOEY-QOIOWGMHSA-N 410.515 -0.092 50 20 HBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnco1)C2 1797748652 PWNRSGDFQUPGIP-QHBPRCKVSA-N 400.395 -0.810 50 20 HBGD C[Si](C)(C)OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1797954766 HIDZLKMWEYQNHT-JLVBRIDZSA-N 420.347 -0.579 50 20 HBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCCCC1=O)C2 1800980619 FIGVTTYJXGTDQL-LOUJCGABSA-N 401.891 -0.158 50 20 HBGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)n1cnnn1 1801431747 GQOUBEWQDYHAGC-RXGFPQBGSA-N 415.292 -0.145 50 20 HBGD O=C(NC[C@H]1CCN(C(=O)c2ncon2)[C@@H]1c1cccnc1)c1cccc(B(O)O)c1 1807376041 SJHPIOIZAIKRRY-NVXWUHKLSA-N 421.222 -0.222 50 20 HBGD NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1825179475 QPDPTBSQBLJYLT-GFCCVEGCSA-N 416.268 -0.686 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3noc(C)n3)C2)C1 1840150770 RMHIUYRFQHMEGV-SUMWQHHRSA-N 416.862 -0.369 50 20 HBGD O=C(c1cnc(O)nc1O)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840187786 WTWRSKDJQZPMFF-OAHLLOKOSA-N 421.237 -0.239 50 20 HBGD CC[C@@H](Br)C(=O)N1CCCC12CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1846069309 TVOHNOWQBVFONJ-ZJUUUORDSA-N 401.261 -0.039 50 20 HBGD COCCc1nnc(SCC(=O)NNC(=O)c2ccc(OC)c(OC)c2)n1N 742458543 CKOWMAFBEJZTCM-UHFFFAOYSA-N 410.456 -0.249 50 20 HBGD CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NNc2ncnc3[nH]cnc23)c1 743470203 APWXAWOHGVCNMD-UHFFFAOYSA-N 420.455 -0.312 50 20 HBGD Cc1ccc2cc(C(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)ccc2n1 746240808 UBJUOZBVFQNDMP-UHFFFAOYSA-N 421.417 -0.248 50 20 HBGD COc1ccc(Cl)cc1C(=O)NNC(=O)CN(C)C[C@@H](O)CN1CCOCC1 751485498 MODWLGBGMBJQFW-CQSZACIVSA-N 414.890 -0.266 50 20 HBGD CCOC(=O)N1CCN(S(=O)(=O)NNC(=O)CCc2ccccc2O)CC1 755976503 ZQRUOYULQOQULE-UHFFFAOYSA-N 400.457 -0.036 50 20 HBGD Cn1cc(C(N)=O)cc1C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 756677026 NDPJDBVRJZVPPI-AWEZNQCLSA-N 402.363 -0.732 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(F)cc1C(F)(F)F 764225659 BUMWOWYZYJVBTQ-LURJTMIESA-N 414.337 -0.132 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2O)cc1-n1cnnn1 764275736 SNBWHCLNAWNYMH-UHFFFAOYSA-N 411.378 -0.159 50 20 HBGD CC[C@@H](Cc1ccccc1)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 766646037 WJDACVKOEPMMHC-AWEZNQCLSA-N 412.450 -0.150 50 20 HBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)COc1ccc(S(N)(=O)=O)cc1 772066575 XWLNEAREYWQORL-NSHDSACASA-N 401.441 -0.162 50 20 HBGD Cn1c(=O)ccn(CC(=O)NNC(=O)COc2ccc(Br)cc2)c1=O 915060078 YQTVGMDPGPULBN-UHFFFAOYSA-N 411.212 -0.464 50 20 HBGD CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N3CC[C@H](B(O)O)C3)cc2)CC1 1329214243 CRMUQXPGOAFNCA-HNNXBMFYSA-N 409.273 -0.772 50 20 HBGD O=C(Cc1cn2ccccc2n1)NNC(=O)C1CCN(c2ccc3nnnn3n2)CC1 1330404738 JBZLBFTUJMKJAM-UHFFFAOYSA-N 420.437 -0.227 50 20 HBGD CC[C@@H](Br)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](N)CN)C1 1778005552 JWHOSVVTCOCQNK-OQMKEHIESA-N 405.337 -0.040 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)CCN3CCOC3=O)C2)C1 1778160051 CFGXXGGIHHFPGG-DYVFJYSZSA-N 403.863 -0.088 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)no3)CCO2)C1 1779032416 JJCMVGJXYXLJST-GOSISDBHSA-N 416.394 -0.864 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1782800726 LOGMUIYVANTICI-OAWSQYKSSA-N 422.526 -0.234 50 20 HBGD CCC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784097403 XYOHSCFCDMSRTJ-QMHWVQJVSA-N 403.907 -0.129 50 20 HBGD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)nn1C 1794726610 YXDAUGYWSFISQU-ZSBFGKGUSA-N 406.487 -0.695 50 20 HBGD Cc1nnc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)s1 1795822765 NGDKOBDMLSPCAN-IVWMJMPLSA-N 424.527 -0.648 50 20 HBGD C[C@H](NC(=O)c1cnccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Cl)C2 1797868176 LLJDAGZZJRSMBL-ZCURGHERSA-N 413.837 -0.281 50 20 HBGD O=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](F)Br)CCN1 1799351867 DBAAEDYCBFEABH-DQYMBCKPSA-N 406.252 -0.207 50 20 HBGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)CCC(N)=O)C2 1800640101 VBFPVWSODIUMFY-GHMOJZLGSA-N 419.320 -0.658 50 20 HBGD O=C(CN(CCO)CCO)NC[C@@H]1CCN(C(=O)[C@@H](F)Cl)[C@@H]1c1cccnc1 1812713037 BXBYSBZPUDHXBE-USXIJHARSA-N 416.881 -0.092 50 20 HBGD C[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830737200 DRRORGIYPRGOPF-MJVIPROJSA-N 413.696 -0.174 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840043789 USUOSJSWOGTBHW-HOTGVXAUSA-N 407.250 -0.233 50 20 HBGD Cc1nccn1[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840488837 AYMZJUGHEMQQFO-DDUZABMNSA-N 414.890 -0.191 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)[C@H]2CCC(=O)N2)C1 1842797307 QOYQOZRTNIWNQH-LVCXCXRVSA-N 400.439 -0.398 50 20 HBGD O=C(NC[C@H]1CN2CCC[C@H]2CO1)NNC(=O)C1CCN(c2ncccn2)CC1 729500114 GEESVJZHRVBVNS-HOTGVXAUSA-N 403.487 -0.113 50 20 HBGD COCCCNC(=O)NNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 731616843 CZVNHZBPLYAPLF-HZSPNIEDSA-N 418.516 -0.537 50 20 HBGD CC(=O)NCCNC(=O)CCC(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1 732282985 PIGPLELXQBLWTM-UHFFFAOYSA-N 411.484 -0.397 50 20 HBGD O=C(COc1ccc(F)cc1)NNC(=O)NCCNS(=O)(=O)c1cccnc1 746325848 IALWQPCTBPCLQD-UHFFFAOYSA-N 411.415 -0.092 50 20 HBGD CC[C@H](NC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12)C(=O)N1CCOCC1 753047078 NLEQCQIIDYKGMI-AWEZNQCLSA-N 416.438 -0.485 50 20 HBGD COC(=O)c1nscc1S(=O)(=O)NNC(=O)CNC(=O)c1cccs1 755965968 JVFSTSYNXWUBGR-UHFFFAOYSA-N 404.451 -0.269 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@H]3CCCO3)CC2)cc1 756001826 ALXCDMBUPVTQHT-MRXNPFEDSA-N 410.496 -0.372 50 20 HBGD C[C@](O)(CN1Cc2ccccc2C1=O)C(=O)NNC(=O)CNC(=O)c1ccco1 756820700 VWMCMIFXBDEQBX-IBGZPJMESA-N 400.391 -0.436 50 20 HBGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cnc1Br 764230240 GPXVSOCUBOYKNH-SSDOTTSWSA-N 422.261 -0.824 50 20 HBGD Cc1ccc(F)c2c1NC(=O)C2=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 764818911 XPCGHKFBGFGZLN-UHFFFAOYSA-N 413.369 -0.646 50 20 HBGD Cc1cc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)nn1C(C)(C)C 766639147 ONVRQLUKKOHVFP-UHFFFAOYSA-N 416.442 -0.845 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc3ccccc3c2O)n(C)c1=O 768290610 KZCCSCCHNBLRDS-UHFFFAOYSA-N 422.401 -0.246 50 20 HBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 771895423 XOBYHFKHZXGXDT-LBPRGKRZSA-N 413.452 -0.190 50 20 HBGD O=C(CCN1CCCS1(=O)=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772888778 LTMHJLQHQXIXOU-UHFFFAOYSA-N 402.860 -0.471 50 20 HBGD CCOC(=O)c1c(S(=O)(=O)NNC(=O)CNC(=O)OC(C)(C)C)n[nH]c1C 777940923 PGBQPEAZUNWIPJ-UHFFFAOYSA-N 405.433 -0.271 50 20 HBGD CCn1c(=O)c2ccccc2n(CC(=O)NNC(=O)CNC(=O)OC(C)(C)C)c1=O 778441142 PEPSHICSKPQADT-UHFFFAOYSA-N 419.438 -0.145 50 20 HBGD C[Si](C)(C)OCC(=O)N1CC[C@]2(C1)CN(C(=O)CN1C(=O)CNC1=O)CCO2 1779294384 PUAQECOPDZSVIO-KRWDZBQOSA-N 412.519 -0.780 50 20 HBGD COc1cc(C(=O)N2CC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)ccn1 1779561747 GOFMYYOUGWOYBF-FQEVSTJZSA-N 419.482 -0.093 50 20 HBGD CC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)c3cc(=O)n4[nH]nnc4n3)CCO2)C1 1781216865 CACUUIGEGWRTJE-QLJPJBMISA-N 409.834 -0.727 50 20 HBGD CC(=O)N(C)CCC(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783933566 QGCBQKUZPJFEQS-IBGZPJMESA-N 411.503 -0.942 50 20 HBGD Cc1nc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)no1 1791288115 ZNVLRVAOOSWIQK-KKUMJFAQSA-N 422.486 -0.727 50 20 HBGD CC(=O)c1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)n[nH]1 1794898865 QLGXNTZNDUZZBA-MUJYYYPQSA-N 410.239 -0.142 50 20 HBGD Cc1n[nH]c(C)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795734188 HSHDNZUIPGUKGC-JLVBRIDZSA-N 412.255 -0.777 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@@H]1CCOC1 1801582343 MWXWIGSXRXGVLP-IHSNIMORSA-N 410.515 -0.234 50 20 HBGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@@H]3NC(=O)NC3=O)CCO2)C1 1832697574 OTPHHBUHGFRQDS-PRXAMGSTSA-N 416.862 -0.942 50 20 HBGD O=C(CCc1cn[nH]c1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1832933504 HFJWZAMSIIJIDN-WMLDXEAASA-N 400.863 -0.602 50 20 HBGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncn(C)n3)CCO2)C1 1833883908 VKQHSMWRWHUJJA-IAQYHMDHSA-N 416.276 -0.332 50 20 HBGD CC(C)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1835479701 CSWJSIDTNILQCF-IBGZPJMESA-N 408.235 -0.816 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1cnn3c1OCCC3)C2 1846385764 SGETVLXYBGXXCV-UHFFFAOYSA-N 404.471 -0.144 50 20 HBGD CNS(=O)(=O)c1c[nH]c(C(=O)OCC(=O)NNC(=O)Cc2nc(C)cs2)c1 728723081 YPCGGMPKSUJCJX-UHFFFAOYSA-N 415.453 -0.765 50 20 HBGD COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNC(=O)C(=O)NC(C)C)C2=O)cc1 744446830 OXIOHBHCLHZRLR-GOSISDBHSA-N 405.411 -0.866 50 20 HBGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)Cn2nnc3ccccc3c2=O)cc1 744526571 ONUGCLWJBKMENO-UHFFFAOYSA-N 406.358 -0.332 50 20 HBGD O=C(NNC(=O)C(=O)N1CCCC1)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 745848750 XHHNFRJHINLLPO-CQSZACIVSA-N 403.439 -0.381 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 746096496 HQLCLTWBLBEJMA-NSHDSACASA-N 421.479 -0.178 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 746331110 DVYWKUDXWMDOJB-LLVKDONJSA-N 406.486 -0.912 50 20 HBGD CCS(=O)(=O)CCOc1ccc(S(=O)(=O)NNC(=O)N2CCOCC2)cc1 746354611 UTPRLIBTPDSUGQ-UHFFFAOYSA-N 421.497 -0.265 50 20 HBGD Cn1c(=O)n(C)c2cc(S(=O)(=O)NNC(=O)CNC(=O)c3cccs3)ccc21 751283436 VTNCWZQQGIJKRY-UHFFFAOYSA-N 423.476 -0.322 50 20 HBGD C=CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)CNC(=O)c2cccnc2)cc1 763814478 QASVJOXTYSRFQZ-UHFFFAOYSA-N 417.447 -0.263 50 20 HBGD COc1cc(OC)cc(C(=O)NCC(=O)NNC(=O)CNC(=O)c2cccnc2)c1 763815511 WGQRTNNZTUYZAV-UHFFFAOYSA-N 415.406 -0.594 50 20 HBGD CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NNC(=O)c1ccc2c(c1)OCCO2 764004726 SLLDDDWTOKPONZ-UHFFFAOYSA-N 417.378 -0.232 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccnc(Oc2ccccc2)c1 764232913 UCENWJKZIPIGCP-LLVKDONJSA-N 421.435 -0.103 50 20 HBGD C[C@]1(c2ccc(C(=O)NNC(=O)CNC(=O)c3cccnc3)cc2)NC(=O)NC1=O 764343874 TUJHMVFUBWRZAW-LJQANCHMSA-N 410.390 -0.673 50 20 HBGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1ccc([S@@](=O)C(F)(F)F)cc1 764433469 NPYISDQSPPUSLJ-FLESLCNUSA-N 409.342 -0.185 50 20 HBGD CC(C)(O)C(=O)NNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 768243348 CVIUWKSPTOEYEL-NSHDSACASA-N 414.440 -0.086 50 20 HBGD Cn1ncc2c(O)nc(NNC(=O)NCCCn3nc4n(c3=O)CCCC4)nc21 770346091 ADBYQNRLCUIQFP-UHFFFAOYSA-N 402.419 -0.520 50 20 HBGD C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)NNC(=O)CO)ccc2Cl)C[C@@H](C)O1 777782011 MEZINCJYHISFQB-NXEZZACHSA-N 405.860 -0.109 50 20 HBGD COC(=O)CNC(=O)NNS(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl 779845470 FAICCWAVCDRVKR-UHFFFAOYSA-N 405.863 -0.530 50 20 HBGD Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1 914830272 JZVMAJMZVNWAKT-ZIAGYGMSSA-N 409.464 -0.443 50 20 HBGD Cn1c(C=NNC(=O)c2csc(N3CCOCC3)n2)nc2c1c(O)nc(=O)n2C 920364923 ZFVDRBMEWBJWBS-UHFFFAOYSA-N 418.439 -0.570 50 20 HBGD Cn1nc(C(=O)NNC(=O)CSCC(=O)N2CCOCC2)c2ccccc2c1=O 933561311 NGQBYPHSEXOARA-UHFFFAOYSA-N 419.463 -0.714 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CNC(=O)C2)C1 1781780157 QLMYTQAMSULWRA-KYZVSKTDSA-N 401.891 -0.110 50 20 HBGD CCNC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2 1797700844 VTDVBUGEOKLXFE-RMPHRYRLSA-N 423.283 -0.026 50 20 HBGD C[Si](C)(C)OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1797952701 HKUKXNCKJDWNEE-OXIQGZBJSA-N 412.519 -0.974 50 20 HBGD CC[C@@H](NC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Br 1799347610 RCKSXHVZQYIRRX-QGKZMRNZSA-N 409.256 -0.287 50 20 HBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccnc1C(N)=O)C2 1800979060 QVZFOKIDRVIXNJ-USZNOCQGSA-N 411.846 -0.968 50 20 HBGD CN(C)CC(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1806454377 HPBBMTBBSMDGJB-FXAWDEMLSA-N 410.283 -0.357 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)c2nc[nH]n2)[C@H]1c1cccnc1 1807876857 ZDDPFSXMDSQDEF-RHSMWYFYSA-N 414.470 -0.108 50 20 HBGD O=C(NC1CCN(C2CCN(C(=O)CCn3ccnn3)CC2)CC1)[C@H](O)CCl 1833312747 AZVQCMILMZOUGZ-MRXNPFEDSA-N 412.922 -0.161 50 20 HBGD O=C1NC[C@@H](C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)O1 1839198815 OAKPAKOEHBIEIM-PKFCDNJMSA-N 424.223 -0.758 50 20 HBGD O=C(c1cc(O)ccc1O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839445729 IWQNWEVMHGMJFL-QAPCUYQASA-N 414.842 -0.233 50 20 HBGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C=CCN3)C2)C1 1840032955 ORTMDHLLPZTVGS-DVOMOZLQSA-N 402.289 -0.246 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCS(C)(=O)=O)CCO2)C1 1840550256 LOUKVXZUOXLCCD-CZUORRHYSA-N 410.920 -0.105 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CC1)CCO2 1840635086 UOWYZQQTXBJZCG-ISXGRJCASA-N 417.466 -0.013 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)CNC(=O)c1cccnc1)C2 1846384251 VBDSRPNVPAXECN-UHFFFAOYSA-N 416.482 -0.612 50 20 HBGD CN(C)N(C(=O)CNS(=O)(=O)c1c(F)cccc1F)[C@H]1CCS(=O)(=O)C1 728179684 NUGXQLNGLQFCSU-JTQLQIEISA-N 411.452 -0.265 50 20 HBGD O=C(NCCS(=O)(=O)NCC1CCC1)NNC(=O)c1nnc(O)c2ccccc12 731761202 XGELYVXYWFQYLY-UHFFFAOYSA-N 422.467 -0.001 50 20 HBGD NC(=O)[C@@H]1CC(C(=O)NNC(=O)CNC(=O)c2cccs2)=NN1c1ccccc1 751208382 CROZJMJEENSZPE-ZDUSSCGKSA-N 414.447 -0.255 50 20 HBGD CN(C)C(=O)Cn1ccc(NC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)n1 756310740 IFXDZWDIYIDCPL-UHFFFAOYSA-N 412.410 -0.315 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CN1C(=O)COc2ccc(Cl)cc21 758034956 IYZBCAGGHVZPOR-QMMMGPOBSA-N 404.832 -0.850 50 20 HBGD CCn1cc(C(=O)C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cn1 759610709 WVNRAYXUBWYXDH-UHFFFAOYSA-N 412.450 -0.309 50 20 HBGD CCCCCCN(C)CC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 766645646 UZKAUTLMWYQBAF-UHFFFAOYSA-N 407.475 -0.907 50 20 HBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccccc1OCC(=O)Nc1cccnc1 768239311 JGUVNSHMHYZSGQ-UHFFFAOYSA-N 414.422 -0.253 50 20 HBGD CN(CC(=O)NNC(=O)CNC(=O)OC(C)(C)C)S(=O)(=O)c1ccccc1 778442677 ALKKQMNCECFNRJ-UHFFFAOYSA-N 400.457 -0.021 50 20 HBGD CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 789170596 HCUUQAXSKVGODJ-MNOVXSKESA-N 402.473 -0.239 50 20 HBGD COCCS(=O)(=O)CC(=O)NNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 819657395 CSIUZFPVIJLJAS-LBPRGKRZSA-N 407.489 -0.158 50 20 HBGD Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1cn(C)c(C)n1 1318112521 ZORNFGPWFDLHFB-UHFFFAOYSA-N 400.486 -0.047 50 20 HBGD Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1318798713 DDIORFUGRSRTAL-GFCCVEGCSA-N 415.493 -0.269 50 20 HBGD C[C@H]1CCS(=O)(=O)CCN1C(=O)NNC(=O)c1csc(N2CCOCC2)n1 1339078371 WOHDDXKTNFVOLU-NSHDSACASA-N 417.513 -0.157 50 20 HBGD Cn1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n1 1779030746 HOSZPZNYNKUSQZ-IBGZPJMESA-N 413.438 -0.824 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1ncccn1)CCO2 1783936939 YHPWYVKMUMWNGX-LJQANCHMSA-N 404.471 -0.778 50 20 HBGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CNC(=O)O3)[C@H]2C1 1784581420 LJFVYBLHQQROKI-HTFCKZLJSA-N 404.261 -0.142 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@@H]3F)[C@H]2C1 1784854943 GINUQCJVTSWTDV-BWLXKTTOSA-N 405.430 -0.364 50 20 HBGD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)nn1C 1791288601 KWQOTSBVHMASRL-ZOBUZTSGSA-N 420.514 -0.305 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H](O)C1 1797148245 BESMCBCUVLNUCW-RAPVAKBRSA-N 417.466 -0.519 50 20 HBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1nc(N)n[nH]1)C2 1800976694 CMSMHNVQFQVKFC-MIJXAVMKSA-N 400.867 -0.837 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@](C)(O)C(F)(F)F)C2 1801010835 XZDCJOAACXRZJV-YHYOWMERSA-N 424.420 -0.738 50 20 HBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSc1nc[nH]n1 1801303058 QHRBGACEYIYEMV-NOHGZBONSA-N 403.892 -0.260 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=COCC1 1801546212 OVXJKCYDAOCHPY-YWVIFJGQSA-N 401.423 -0.808 50 20 HBGD O=C(COCCO)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1822984519 FUAKTNBNZAVULB-CYBMUJFWSA-N 419.268 -0.942 50 20 HBGD C/C=C(/C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835939919 NVBOJGIVAZKTRS-IBPVBLNFSA-N 402.256 -0.597 50 20 HBGD C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1837703032 SZEURNPBAXTGLO-ZBEGNZNMSA-N 408.282 -0.063 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cncn3)C2)C1 1837711977 YIQUNVGLVCDPSW-QGZVFWFLSA-N 411.535 -0.414 50 20 HBGD COCc1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)no1 742465810 UQMSBQIKCIAZCD-UHFFFAOYSA-N 424.435 -0.083 50 20 HBGD O=C(NNC(=O)N1CCOCC1)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 745992930 NVYOVSJFHSKTIS-AWEZNQCLSA-N 412.468 -0.170 50 20 HBGD C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)C(=O)N1CCCC1 748246738 OKKXGAHKRJSOBA-JTQLQIEISA-N 402.860 -0.223 50 20 HBGD NC(=O)c1ccc(NNC(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)nn1 757398290 FVFABJCKLYOTIT-GFCCVEGCSA-N 420.451 -0.210 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccccc1N(C)S(C)(=O)=O 757661769 RCXXPOSZVCAQMW-SECBINFHSA-N 407.474 -0.827 50 20 HBGD O=C(CCNS(=O)(=O)c1cccs1)NNC(=O)CNC(=O)c1cccnc1 763820686 PLZRQBCWBKMXIZ-UHFFFAOYSA-N 411.465 -0.611 50 20 HBGD Cc1ccccc1-n1nccc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 764227783 RQQRKTDAUJKBJI-NSHDSACASA-N 408.440 -0.796 50 20 HBGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)Cn1cc([N+](=O)[O-])ccc1=O 767317149 SAKOPCAYKBRFFK-UHFFFAOYSA-N 402.363 -0.002 50 20 HBGD Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1CCC(=O)NNC(=O)C(C)(C)O 768258708 ACOISIUUUDHJJY-UHFFFAOYSA-N 423.495 -0.013 50 20 HBGD C[C@]1(c2cccc(C(=O)NNC(=O)CNC(=O)c3cccs3)c2)NC(=O)NC1=O 769013522 OXYQHFZWSGNDFO-GOSISDBHSA-N 415.431 -0.006 50 20 HBGD COC(=O)CNC(=O)NNS(=O)(=O)c1cc(Br)cc(C(=O)O)c1 779846038 VEEIXXQJVPIVCC-UHFFFAOYSA-N 410.202 -0.187 50 20 HBGD C[C@H]1CN(CC(C)(C)O)CCN1C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 780946057 BWODAGWWHLCMSN-ZDUSSCGKSA-N 402.459 -0.206 50 20 HBGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1ccn(-c2ccncc2)n1 784003659 KXWQETMAFUURSV-UHFFFAOYSA-N 413.419 -0.155 50 20 HBGD CN(C)N(C(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)[C@@H]1CCS(=O)(=O)C1 792855464 RYBCYTPMQJNSPP-WBMJQRKESA-N 416.500 -0.906 50 20 HBGD CCC[C@H](C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccn1 807092153 STKDPCUDGNXPHZ-LBPRGKRZSA-N 413.438 -0.440 50 20 HBGD CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NNC(=O)[C@H]1CCCO1 815778815 GXFZTUCREDPUAI-CQSZACIVSA-N 410.452 -0.848 50 20 HBGD COCCOc1cc(OC)ccc1C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1116751636 QVHIDPSGLBAUES-LLVKDONJSA-N 401.441 -0.149 50 20 HBGD CN(C)S(=O)(=O)c1cc(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)co1 1319496289 XJZWGXSZSYLOMH-UHFFFAOYSA-N 422.467 -0.003 50 20 HBGD CNC(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)CBr)CC2)n1 1321040244 RXGIKEXXIPGZIZ-UHFFFAOYSA-N 405.274 -0.119 50 20 HBGD Cc1ccccc1CC(=O)NNC(=O)CN1CCN(C(=O)N2CCOCC2)CC1 1334128449 LEOBVEBDGIWYKA-UHFFFAOYSA-N 403.483 -0.245 50 20 HBGD O=C(Cc1cccnc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1787096584 VSLVNGGEJSKXAO-IHPCNDPISA-N 423.278 -0.403 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccncc3O)[C@H]2C1 1788827691 HVHNERBGBINNMX-QRTARXTBSA-N 419.482 -0.247 50 20 HBGD CCOC(=O)N[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)CCl 1792782967 KSMDWHNJCLDOFB-RNJOBUHISA-N 405.879 -0.095 50 20 HBGD CC(=O)N(C)[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796191008 NWKFZQSTZXZSQT-GQAVTEOGSA-N 401.272 -0.515 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)[C@@H]1Cc2ccccc2CN1 1796322331 NNFDVQJOXOSDJJ-RZFLPCETSA-N 407.898 -0.110 50 20 HBGD Cc1noc(C)c1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830726830 UDZBOOVIZIUKBN-YJBOKZPZSA-N 415.874 -0.110 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)CC(N)=O)CCO2 1831616015 PKWAISFBESFCHB-IIYDPXPESA-N 405.879 -0.792 50 20 HBGD O=C(CCc1cn[nH]c1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1832933499 HFJWZAMSIIJIDN-PBHICJAKSA-N 400.863 -0.602 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3nc[nH]n3)CC2)CC1 1834953721 YWUMSCNSFJYYMP-UHFFFAOYSA-N 420.518 -0.637 50 20 HBGD O=C(c1ncon1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1838321088 PBONUWNSNHHDKN-NOZJJQNGSA-N 407.196 -0.170 50 20 HBGD CC[C@H](NC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](Cl)COC)CCO2)C1 1840152292 DTYXCQIYFQVSNW-GDZNZVCISA-N 420.894 -0.857 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3ccnn3)C2)C1 1840155395 AQNYAPGNQVAGNE-GRDNDAEWSA-N 415.878 -0.451 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1840184133 UWSUHVHFHPWHPX-GDBMZVCRSA-N 408.858 -0.650 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cnn(C)c3)CCO2)C1 1840466792 XXFDSYJPZNHDJE-CRAIPNDOSA-N 414.890 -0.327 50 20 HBGD O=C(CC[C@@H]1CCOC1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840585207 BRHMTENPZXSEEL-RVKKMQEKSA-N 404.891 -0.141 50 20 HBGD CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841347679 BSOBREAHSXOQGM-NWDGAFQWSA-N 405.879 -0.325 50 20 HBGD O=C(c1ccnc(Cl)n1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014256 QVSQFACKTPORDJ-UHFFFAOYSA-N 400.631 -0.059 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2cnn3cccnc23)C1 1844027742 JKVBIYHMWRETAI-UHFFFAOYSA-N 405.223 -0.460 50 20 HBGD O=C(c1n[nH]c2c1CS(=O)(=O)C2)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CCl 1847560588 XGOZOWGEUMGJPE-SRVKXCTJSA-N 402.860 -0.747 50 20 HBGD CCNC(=O)NNC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 65191261 NBDBMSHARHHVGH-UHFFFAOYSA-N 400.457 -0.391 50 20 HBGD COc1cccc(NCC(=O)NNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c1 728206064 SQGUWSLAALUJCN-OCCSQVGLSA-N 424.479 -0.710 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(OCC(F)(F)F)cc1 728509550 HXZAYIOVVPLISG-QMMMGPOBSA-N 419.403 -0.125 50 20 HBGD O=C(COC(=O)CCN1CCCS1(=O)=O)NNC(=O)c1cccc([N+](=O)[O-])c1 732327296 KCMKPPSHPZBCOS-UHFFFAOYSA-N 414.396 -0.675 50 20 HBGD Cn1cc(NS(=O)(=O)c2ccsc2C(=O)NNC(=O)[C@@H]2COCCO2)cn1 744643741 FAXAGNOFMYERJE-JTQLQIEISA-N 415.453 -0.541 50 20 HBGD O=C(CCC(=O)N1CC(=O)Nc2ccccc21)NNC(=O)CNC(=O)c1ccco1 751207250 TVGWTJLZJFRIRI-UHFFFAOYSA-N 413.390 -0.078 50 20 HBGD CCOC(=O)N1CCN(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)CC1 755964413 DRBUFYHMFZDXIY-UHFFFAOYSA-N 419.485 -0.882 50 20 HBGD CCOC(=O)C(C)(C)n1cc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cn1 757720789 OOTKXYQPEHPXAN-JTQLQIEISA-N 401.445 -0.231 50 20 HBGD COc1ncc(NC(=O)C(=O)NNC(=O)COc2ccccc2F)cc1C(N)=O 763678330 CRRYADKCLKNYJG-UHFFFAOYSA-N 405.342 -0.507 50 20 HBGD COC(=O)c1cccc(NC(=O)C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 763916201 CRAVPEAOVAUBCU-UHFFFAOYSA-N 409.362 -0.151 50 20 HBGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1cnc(Cl)c(Br)c1 768242126 OLPBAAGRVUBHSY-MRVPVSSYSA-N 407.608 -0.001 50 20 HBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)NC[C@@H](C)O)cc1 772001236 CBVYDMDXUWBQJQ-GHMZBOCLSA-N 401.441 -0.552 50 20 HBGD N#C/C(=C\c1ccc(O)cc1)C(=O)OCC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 778129928 MNXSQSLYOKOMKU-BWODNOAJSA-N 407.404 -0.145 50 20 HBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)[C@H]2CCC[C@@H](C(N)=O)C2)CC1 788000644 IIDNXWVNPSTYPA-KGLIPLIRSA-N 424.527 -0.248 50 20 HBGD C[C@]1(CCCC(=O)NNC(=O)CNC(=O)OCc2ccccc2)NC(=O)NC1=O 794064393 CWQCWYRLUFVDFU-GOSISDBHSA-N 405.411 -0.171 50 20 HBGD CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 794825714 XBXSKOVGUBTNPP-NEPJUHHUSA-N 405.473 -0.406 50 20 HBGD CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NNC(=O)N=c2cc[nH]cc2)c1 802029897 WCBVOTAWNAFABA-UHFFFAOYSA-N 422.467 -0.451 50 20 HBGD COC[C@]1(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)CCN(C(=O)OC(C)(C)C)C1 809972167 DMYRHRTWXOXUAU-SJCJKPOMSA-N 419.500 -0.158 50 20 HBGD COc1ccc(C(=O)NNC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)cc1OC 919690495 RHQBYWHPZVDHFR-UHFFFAOYSA-N 415.406 -0.332 50 20 HBGD O=C(CN1CCCC1=O)NNC(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O 919964574 TYMXRFQXYDUCHI-UHFFFAOYSA-N 406.420 -0.623 50 20 HBGD NC(=O)c1ccc(/C=C\C(=O)N2CCC[C@@H]2C(=O)NNC(=O)C(=O)NC2CC2)cc1 920017713 DIPKZHNEHZVDBU-WSVPDTOYSA-N 413.434 -0.784 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cccc(F)n3)C2)C1 1779486990 SYRWIUMCLJQLGM-HXUWFJFHSA-N 413.214 -0.342 50 20 HBGD C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)n1cccc1 1784329602 MEXVJOALVCEROR-KKSFZXQISA-N 411.267 -0.127 50 20 HBGD NC(=O)c1ccccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1790125816 RAALONKKSAJKAK-DDWPSWQVSA-N 409.870 -0.022 50 20 HBGD O=C1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](F)Br)C3)CN1 1792584680 XQWGJUWBPBCTFM-VKISENBKSA-N 406.252 -0.207 50 20 HBGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(C)(=O)=O 1795361674 YVEMEOXAINAUHS-LSCVPOLPSA-N 411.318 -0.206 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](N)c1ccccn1 1795615291 FPEDYHIEIADGNU-GTYSZEQSSA-N 418.498 -0.956 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccccn1)C2)c1cccc(B(O)O)c1 1795737227 HKYULSVEMPGAQR-UPHUGPLXSA-N 423.278 -0.403 50 20 HBGD O=C(CS(=O)(=O)N1CCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Cl)C2 1796437318 MPDGOPBULJTSHW-ZMJPVWNMSA-N 411.883 -0.464 50 20 HBGD O=C([C@H](O)CCl)N1CCCC2(CCN(C(=O)[C@@H](O)N3CCOCC3)CC2)C1 1805522682 KGRQNYBPEUZSTK-RHSMWYFYSA-N 403.907 -0.532 50 20 HBGD O=C(Cn1nccn1)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809980047 FOIVYRYNMVMNPL-UHFFFAOYSA-N 411.271 -0.497 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)ncn3)CCO2)C1 1831740423 DKTINHTVKHHLES-YVEFUNNKSA-N 414.846 -0.494 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@H]1F)CCO2 1832123627 XMVBRBCUAYRANY-WTANOLMUSA-N 421.429 -0.887 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 1839148940 OHAXWLZGKXAKJO-DEYYWGMASA-N 401.891 -0.014 50 20 HBGD CC(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1839154995 FSZHMBCPQLQYRW-HOTGVXAUSA-N 410.298 -0.185 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnnn3C)C2)C1 1840031527 SSNFPWUWLNWAEL-NHYWBVRUSA-N 416.276 -0.332 50 20 HBGD O=C(CCN1CCOC1=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014091 WKXROSFLIREQGL-UHFFFAOYSA-N 401.228 -0.974 50 20 HBGD O=C(COC(=O)CN1CCCCCC1=O)NNC(=O)[C@H]1COc2ccccc2O1 5538694 OYAUGQCYFFQJLR-OAHLLOKOSA-N 405.407 -0.080 50 20 HBGD CCn1c(S)nc2cc(C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)ccc2c1=O 10213851 QODHQFSWFPOXEX-SNVBAGLBSA-N 410.477 -0.099 50 20 HBGD CCOCC(=O)NNC(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 731278477 CWHYZYLWHTVKKJ-UHFFFAOYSA-N 414.484 -0.285 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 764225952 CZQWJSBRJHAZFE-LURJTMIESA-N 408.339 -0.968 50 20 HBGD COCCOc1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2O)cn1 764278161 UBXBWHYUKNBRKO-UHFFFAOYSA-N 404.379 -0.023 50 20 HBGD CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NNC(=O)COc1ccccc1O 764280313 MKMWBPWBXMRJBM-UHFFFAOYSA-N 405.367 -0.533 50 20 HBGD Cn1nnc(CNC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n1 787440833 JPKJYMDNYHCIMO-UHFFFAOYSA-N 408.444 -0.861 50 20 HBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCCOCCN(C)C 788017709 LLDBFNQKAABFOB-UHFFFAOYSA-N 400.505 -0.190 50 20 HBGD C#CCC1(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CCCCC1 788517969 SBZFRJCCVZQLDS-UHFFFAOYSA-N 400.439 -0.445 50 20 HBGD COc1ccc(C(=O)N2CCC[C@@H]2C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1 799101398 ZQRAHTUWIHGSND-BXUZGUMPSA-N 412.468 -0.615 50 20 HBGD COc1cc(CNC(=O)NNC(=O)Cn2nc(C)cc2C)ccc1OCC(N)=O 916641065 VCIPRTMBNLQGOY-UHFFFAOYSA-N 404.427 -0.097 50 20 HBGD O=C1Cc2cc(S(=O)(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)c(Cl)cc2N1 1318218828 QUAGUTGGBNJWNA-ZETCQYMHSA-N 407.857 -0.421 50 20 HBGD Cc1c(/C=C(/C#N)C(=O)N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)cc(C#N)n1C 1324230506 GYTRPFSLMZXMGJ-HWIKDYBBSA-N 403.464 -0.126 50 20 HBGD O=C([C@H](O)CCl)N1CCO[C@]2(CCN(C(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1781050610 JRBSBXFHUUOCPE-ZTENYAIWSA-N 413.902 -0.183 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CC[C@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1781227997 TUGINHACWTVPKY-HOTGVXAUSA-N 406.314 -0.107 50 20 HBGD COC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781331094 DCOOQXORSKEMDB-ZOWXZIJZSA-N 424.267 -0.342 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cnnn3)[C@H]2C1 1787092350 OQJVTXZVYHFMMP-ASHKBJFXSA-N 405.286 -0.111 50 20 HBGD CC[C@H](NC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1792613717 AHIKQHRNIJRQSZ-MHORFTMASA-N 401.272 -0.467 50 20 HBGD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)nc2nccn12 1792983473 IYLOZDBCDQQFKK-NEBZKDRISA-N 407.858 -0.159 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(F)(F)C(F)F 1793707505 FVCFNNDPYPUNSL-DDFAGTSDSA-N 412.384 -0.151 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccccn1)C2)c1ccc(B(O)O)cc1 1795732542 SGOHPVWKMDYBLF-UPHUGPLXSA-N 423.278 -0.403 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccncc1F 1796723062 XVTDTBUGYQOQKA-ZSBFGKGUSA-N 413.214 -0.583 50 20 HBGD COc1ccnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)c1 1798108058 VFGOIDGNHFIRCL-HBCWATKFSA-N 419.482 -0.334 50 20 HBGD CC[C@H](NC(C)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798439477 AWXJCLZYEQDIKS-LOUJCGABSA-N 416.482 -0.148 50 20 HBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)Cc1cccnc1)C2 1800975001 HQTHIHPGHBJPSK-QEOTZNIISA-N 410.902 -0.205 50 20 HBGD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2)n1cnnn1 1801440312 ZYRZZHKEKPYSEU-QUARPLMYSA-N 405.228 -0.486 50 20 HBGD O=C(C1CCC(CO)CC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830726191 PAMGJOMPNAHRFY-YBSITQRDSA-N 418.918 -0.159 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)n(C)n3)CCO2)C1 1833411004 WTHIKLSMDWMFAP-YVEFUNNKSA-N 416.862 -0.551 50 20 HBGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=N)N)CCO2)C1 1835578342 RHHQHPGLVMYZTB-IAQYHMDHSA-N 420.308 -0.901 50 20 HBGD CN1CCN(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Cl)C3)C2)CC1 1836672232 PDAUQZCBXIOXGL-DOTOQJQBSA-N 406.886 -0.775 50 20 HBGD CCC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840851917 WOPGZAMHXLTDCW-RLFYNMQTSA-N 419.906 -0.653 50 20 HBGD Nc1nsc(N2CCN(CC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1 759352864 YOHQEPUBXHYRDI-UHFFFAOYSA-N 406.428 -0.388 50 20 HBGD CN(C)C1CCN(CCNC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CC1 759592051 VUANJPQBRYPKHJ-UHFFFAOYSA-N 401.475 -0.368 50 20 HBGD CC(C)C(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 763831376 GPIDVHHPOQELKS-UHFFFAOYSA-N 411.484 -0.635 50 20 HBGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(CN2CCOC2=O)c1 764399863 MSRXCOGZFSZUCJ-GFCCVEGCSA-N 408.411 -0.224 50 20 HBGD C[C@H](CC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1F 765729475 XEDXBFZDXYXUFE-LLVKDONJSA-N 416.413 -0.086 50 20 HBGD Cc1c(O)cc(O)c(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1O 782254189 VXTKMWNZWLGNAM-UHFFFAOYSA-N 402.367 -0.991 50 20 HBGD Cc1cccc(C(=O)NNC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)n1 794090519 VIGOOGWNIOVRPP-UHFFFAOYSA-N 419.463 -0.169 50 20 HBGD NS(=O)(=O)c1ccc(C(=O)NNC(=O)CNC(=O)OCc2ccccc2)nc1 798135797 SXDLQOHAODMTGR-UHFFFAOYSA-N 407.408 -0.584 50 20 HBGD CCC1(CC)NC(=O)N(CC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)C1=O 915077258 XLKUHGKLOMZLNT-UHFFFAOYSA-N 410.452 -0.038 50 20 HBGD COc1cc(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cnc1Br 1116736601 WNMVHBSKBQIUTO-MRVPVSSYSA-N 407.246 -0.016 50 20 HBGD CC(C)NC(=S)NNC(=O)Cn1cnc2c(c(Br)nn2C)c1=O 1318374663 LCVWCGISZCVJAO-UHFFFAOYSA-N 402.278 -0.204 50 20 HBGD O=C(CCC(=O)N1CCN(c2ccccn2)CC1)NNC(=O)[C@H]1CCS(=O)(=O)C1 1319180383 QTQJOCABSCTNAZ-AWEZNQCLSA-N 423.495 -0.908 50 20 HBGD C[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1 1783533932 MHJASJXDTNSKBV-BONVTDFDSA-N 415.292 -0.067 50 20 HBGD CC(=O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786978670 JCYBPROAKNSVTK-SZMVWBNQSA-N 416.283 -0.425 50 20 HBGD O=C(C[C@@H]1NC(=O)NC1=O)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@H]1c1cccnc1 1804341232 IMGYTIIWUFLCKR-XPCVCDNBSA-N 423.857 -0.715 50 20 HBGD CC[C@H](O)C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807365289 MOWFKWJVPQXQDO-NEWSRXKRSA-N 411.267 -0.148 50 20 HBGD C[C@H](CN)C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807370357 BJPRQAHNFDWJSH-BJZITVGISA-N 410.283 -0.324 50 20 HBGD O=C(NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)[C@@H]1C=CCN1 1808215244 OKRLWFBRZNDYOX-IHPCNDPISA-N 420.278 -0.391 50 20 HBGD O=C(CCc1ncc[nH]1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830736931 BYTUVGRORXUQNA-DYVFJYSZSA-N 400.863 -0.602 50 20 HBGD CN(CC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](O)CCl)CC1)C(=O)C(=O)O 1831160309 GIYAMPKGNZRPAP-UONOGXRCSA-N 417.890 -0.251 50 20 HBGD NC(=O)c1ncccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1833309672 MJOPKUUGKFZYGU-GUYCJALGSA-N 414.821 -0.215 50 20 HBGD C=CC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835939826 JSVUWUVFVFKFLY-IERDGZPVSA-N 416.283 -0.351 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)nn3)C2)C1 1840150522 NESTZOBABCOUKW-SJKOYZFVSA-N 414.846 -0.494 50 20 HBGD C[C@H](Cn1ccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840428143 CHCRKDSTEBLICJ-IIDMSEBBSA-N 414.890 -0.425 50 20 HBGD CC(=O)N(C)[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844264263 ZOOZJSBROPSALH-LBPRGKRZSA-N 402.455 -0.631 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)Cc1ccc(O)cn1)C2 1844265639 ZOXXYZXWXKOUNG-UHFFFAOYSA-N 410.434 -0.155 50 20 HBGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)c2csc(S(N)(=O)=O)c2)cc1 744599987 IVROCOIJIQRYQX-UHFFFAOYSA-N 408.417 -0.115 50 20 HBGD O=C1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)Cc3ccncc3)cc2)CCN1 747324611 FCEASBQQEBXFRT-UHFFFAOYSA-N 417.447 -0.794 50 20 HBGD COCc1cccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 755685852 CCZXRXGQIPMEJJ-UHFFFAOYSA-N 415.410 -0.567 50 20 HBGD COc1cc(Cl)ccc1C(=O)NNC(=O)CNS(=O)(=O)c1cn(C)cn1 756078234 AFDTYBYXVLYUNN-UHFFFAOYSA-N 401.832 -0.178 50 20 HBGD CCS(=O)(=O)Nc1ccc(S(=O)(=O)NNC(=O)NCCCOC)c(OC)c1 761283475 ULGVTIJPLKALHR-UHFFFAOYSA-N 424.501 -0.014 50 20 HBGD CCOC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)cc1C#N 764426421 URGUSJGJMVEODD-CYBMUJFWSA-N 405.367 -0.372 50 20 HBGD CS(=O)(=O)CC(=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1 766670307 WWGRFQMMHGEVNC-UHFFFAOYSA-N 402.904 -0.350 50 20 HBGD CN(C)c1nc(Cl)c(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)s1 767302423 QXUYOFAHTQIIBR-UHFFFAOYSA-N 417.904 -0.103 50 20 HBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 772186592 GADCDTIRERJBKL-WDEREUQCSA-N 403.461 -0.788 50 20 HBGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 792849706 KWLZOOLVYAMRIJ-YPMHNXCESA-N 421.545 -0.804 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc(C(C)(C)C#N)cc2)n(C)c1=O 793677363 VWOYAFXNEXMADL-UHFFFAOYSA-N 423.433 -0.304 50 20 HBGD CCC(=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779374207 LCVKUKKMMAWVSZ-OXQOHEQNSA-N 417.466 -0.208 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(=O)C1CC1)C2 1782210260 LBFKQKCAXSUVPB-FOIQADDNSA-N 408.499 -0.148 50 20 HBGD C[C@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)CN3)C[C@@H]21 1783973297 XVZCOHMNUDWWAG-XZBVAUNFSA-N 418.332 -0.280 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)CS(C)(=O)=O)[C@H]2C1 1784525187 VWDCAXWEQVWJAG-QTVXIADOSA-N 424.947 -0.099 50 20 HBGD CC[C@@H](C)[C@H](N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786979571 ZWXORESPSRNKSP-CRWDZZMISA-N 417.315 -0.667 50 20 HBGD CC[C@@H](C)[C@H](N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984603 VGWSNGDDTRSPQR-CRWDZZMISA-N 417.315 -0.667 50 20 HBGD C[C@](Cl)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21 1789865682 BHDVSHXYOKZJOT-ASHKBJFXSA-N 405.286 -0.111 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1799273673 FYZDYUJCQMBDFK-YFUCHJSJSA-N 421.281 -0.590 50 20 HBGD Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)on1 1801010620 MHBUQNYEPCLLCX-HBCWATKFSA-N 407.471 -0.512 50 20 HBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)[nH]n1)[C@@H](O)CCl 1814867121 GBCXOWLBJMCWPI-QWRGUYRKSA-N 412.834 -0.447 50 20 HBGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1)C1(O)CCC1 1829732568 VXJDUGSTVLRIBO-CPUCHLNUSA-N 404.891 -0.406 50 20 HBGD O=C(c1cn2cccnc2n1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830730997 GUBVCRPXYAGZKV-RDTXWAMCSA-N 423.857 -0.601 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cc(C)[nH]n3)CCO2)C1 1837591537 QCVYDNLRWHZOJZ-CRAIPNDOSA-N 414.890 -0.029 50 20 HBGD COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)nn1C 1838832402 YJOMDCTVSPCCQO-CXAGYDPISA-N 416.862 -0.902 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)COCCO)C2)C1 1839154762 XHBFDUKFPOVQIF-CVEARBPZSA-N 413.298 -0.312 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)NC3)C2)C1 1840149692 XUKVHLGBROFKHQ-GLJUWKHASA-N 417.890 -0.777 50 20 HBGD C[C@H](CBr)C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CNC2=O)C1 1841846744 OYQXYLLALIERJS-SNVBAGLBSA-N 401.261 -0.227 50 20 HBGD CC(=O)N(C)[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1843426644 ZDUOTOZCXAUVRH-LBPRGKRZSA-N 402.455 -0.631 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])C1 1844411754 CGPKYJMPHXZUHS-UHFFFAOYSA-N 414.382 -0.553 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cc2c(cc1Cl)NC(=O)C2 728509562 IASZJLREWVGAEJ-ZCFIWIBFSA-N 410.861 -0.918 50 20 HBGD Cc1csc(CC(=O)NNC(=O)CN2CCC(N3CCC[C@H]3C(N)=O)CC2)n1 729266327 XHTVSAIQSHHVOP-AWEZNQCLSA-N 408.528 -0.444 50 20 HBGD CCOc1ccccc1N1C[C@H](C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)CC1=O 729276486 GMFIVCAEZRMTEV-NWDGAFQWSA-N 412.468 -0.477 50 20 HBGD O=C(NNC(=O)[C@@H]1CC(c2cc(F)ccc2F)=NO1)N[C@H]1CCS(=O)(=O)C1 732657139 LHUVAAXTQVVOAQ-ZANVPECISA-N 402.379 -0.025 50 20 HBGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 755049910 RZYZHSICCQKOOJ-MNOVXSKESA-N 413.431 -0.159 50 20 HBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)Nc1ccc(C(=O)N2CCOCC2)cc1 755932815 FDJXPIGAHLPTDF-CYBMUJFWSA-N 410.452 -0.254 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)N1C[C@H]2CCCN2c2ccccc21 764226133 GDOKQJBJKDIGBK-NWDGAFQWSA-N 409.468 -0.913 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(F)cc1OCC1CC1 764229646 BMQLSMOVGGBYEP-SECBINFHSA-N 416.431 -0.362 50 20 HBGD COCCOc1cc(C)ccc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764232700 SWYVDDDNLSUTAY-LLVKDONJSA-N 416.456 -0.956 50 20 HBGD CC1C[C@H](C(=O)NNC(=O)c2cnn(C)c2)[C@@H](C(=O)NNC(=O)c2cnn(C)c2)C1 775861428 WNYRUXVBRCAJLP-KBPBESRZSA-N 416.442 -0.962 50 20 HBGD COc1ccc(CN2CC[C@H](NC(=O)NNC(=O)C(=O)NC3CC3)C2=O)c(OC)c1 807577152 FLUKUTHOFHNKPT-AWEZNQCLSA-N 419.438 -0.586 50 20 HBGD CN(C)S(=O)(=O)c1ccc(NNC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 812731957 OOZBHZILFTUJNB-XOUADPBQSA-N 422.463 -0.458 50 20 HBGD COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NNC(=O)[C@H]1CCc2nncn2C1 816884576 CKEKYHNIDPICAO-VIFPVBQESA-N 417.817 -0.061 50 20 HBGD N#Cc1ccc(OCC(=O)NNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 864015675 CYEYBFIOHMSIAJ-UHFFFAOYSA-N 413.415 -0.177 50 20 HBGD C[C@H](CNC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12)CN1CCN(C)CC1 1319244462 OMHNQHRDTJGWPU-CQSZACIVSA-N 415.498 -0.239 50 20 HBGD CS(=O)(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@H](B(O)O)C1 1329292313 IINXUWNIIKYBQR-GXTWGEPZSA-N 416.692 -0.052 50 20 HBGD Cc1n[nH]cc1C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1780283234 FLHGIMVWXMIGFW-IBGZPJMESA-N 413.438 -0.526 50 20 HBGD C[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1 1783533933 MHJASJXDTNSKBV-MEBBXXQBSA-N 415.292 -0.067 50 20 HBGD CCn1nccc1C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783936400 MTHDXRPCOYXZQV-IBGZPJMESA-N 406.487 -0.281 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccccn3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979859 MDFFSLCNLWIOER-VDGAXYAQSA-N 423.278 -0.403 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)CN3)C[C@@H]21)[C@H](F)Br 1789923442 MVEQEVQNCVIEDF-JIQZXMICSA-N 408.268 -0.621 50 20 HBGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1nccn1)C2 1792873534 CMNZSOAEWJKJSH-FMSGJZPZSA-N 400.277 -0.101 50 20 HBGD O=C(CN1CCOC1=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796190090 USQBXSNKVWDVNX-MUJYYYPQSA-N 401.228 -0.930 50 20 HBGD CCNC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](Cl)COC 1800977263 WIGCJEXAQMCEGN-RKQHYHRCSA-N 404.895 -0.463 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccncc1F)C2 1801011166 KIXSZYCQGVEKJQ-IVWMJMPLSA-N 407.446 -0.203 50 20 HBGD O=C(c1ccc2ncnn2c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731479 LUAJDBWSCSGPES-RDTXWAMCSA-N 423.857 -0.601 50 20 HBGD O=C([C@@H](O)CCl)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@H](O)CC3)C2)C1 1830737845 JBKDLYDZRAPILT-XSWJXKHESA-N 404.891 -0.406 50 20 HBGD CN(C)CCC(=O)NC1CCN(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1834617943 FXTQLAFBZCYXMR-UHFFFAOYSA-N 424.590 -0.117 50 20 HBGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)N(C)C)CCO2)C1 1835436259 RPTCGAFDLUTZKZ-LRDDRELGSA-N 420.304 -0.296 50 20 HBGD Cc1nn[nH]c1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1836302925 UGIVNGJLDSHLMF-SMDDNHRTSA-N 420.239 -0.126 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCOC3=O)C2)C1 1839141919 XTANPYBBUFKHQZ-SUMWQHHRSA-N 403.863 -0.088 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)[C@H]2CCNC(=O)C2)C1 1846423028 CZAGBJZYAYFQQJ-LBPRGKRZSA-N 400.439 -0.972 50 20 HBGD O=C(NCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(B(O)O)cc1)c1ccc[nH]1 1848177874 MKABKVVFCBLAJH-ROUUACIJSA-N 424.266 -0.670 50 20 HBGD COCCNC(=O)CN1CCN(CC(=O)NNC(=O)c2ccccc2Cl)CC1 23366729 OVHUILWFSCXSEC-UHFFFAOYSA-N 411.890 -0.519 50 20 HBGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)CNC(=O)Cc2ccc(O)cc2)cc1 744926220 TYGUVCMZJQGAOM-UHFFFAOYSA-N 410.386 -0.073 50 20 HBGD CCN(CC)Cc1ccc(C(=O)NNC(=O)CNS(=O)(=O)c2cnn(C)c2)o1 746397556 VACCJRDKIJEDAR-UHFFFAOYSA-N 412.472 -0.406 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1c(-c2cnn(C)c2)nc2ccccn12 757662283 FHGZHUFXHJKGDG-JTQLQIEISA-N 420.455 -0.175 50 20 HBGD CCn1cc(C(=O)C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cn1 758857655 GGEVJFRKNPIKOW-AWEZNQCLSA-N 402.363 -0.384 50 20 HBGD Cc1coc(-c2ccc(C)c(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c2)n1 764225591 AWKDIEDWXMUSOU-LLVKDONJSA-N 423.451 -0.018 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CCc2c[nH]c3ccccc23)n(C)c1=O 765729889 ITFPQCGGAAWZGE-UHFFFAOYSA-N 423.433 -0.305 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc(F)c(Cl)c2)n(C)c1=O 768292541 YWKDZXGEDAVHJK-UHFFFAOYSA-N 408.777 -0.313 50 20 HBGD O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NNC(=O)c1ccc2c(c1)OCCO2 770378434 CGUCYWWLIKDHTH-UHFFFAOYSA-N 416.415 -0.043 50 20 HBGD Cn1c(=O)c2cc(NC(=O)C(=O)NNc3c(F)cccc3F)cnc2n(C)c1=O 773714757 WLGPTSOAUVXBJG-UHFFFAOYSA-N 404.333 -0.008 50 20 HBGD Cc1cc(C(=O)NNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)n[nH]1 780976312 QADHDGXRZNFJCD-RISCZKNCSA-N 411.415 -0.558 50 20 HBGD CC(C)[C@H](O)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 813372655 NJQZUERAPNUPOF-KRWDZBQOSA-N 413.496 -0.196 50 20 HBGD NS(=O)(=O)N1CCC[C@H](C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)C1 816916110 VURQPLVRWVCKGS-NSHDSACASA-N 417.513 -0.514 50 20 HBGD C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1778973944 OSTXCPHRYXCCLF-FOIQADDNSA-N 410.515 -0.238 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1csnn1 1784671942 LMGGGMYXZNKHPT-NOLJZWGESA-N 416.268 -0.875 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)CCl)c1cc2n(n1)CCCNC2=O 1793111651 UJXOSRSTSXXLMU-OXIQGZBJSA-N 409.874 -0.132 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(=O)n1O)c1cccc(B(O)O)c1 1794667906 CPDJEBWWJZMBHP-MUJYYYPQSA-N 411.223 -0.669 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)[C@H]1CC[C@@H]2CCC(=O)N2C1 1799144719 RQCAVVMDBZNJIQ-UPYBHPBUSA-N 413.902 -0.423 50 20 HBGD O=C(Cc1ccccc1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1800568016 DDPWZNDOGNMOHK-UPHUGPLXSA-N 424.262 -0.482 50 20 HBGD CN[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)CCl)C2)C1)C(=O)O 1835751797 IKYVCPYQAQZVLI-FZKQIMNGSA-N 419.906 -0.230 50 20 HBGD O=C1NCc2cc(C(=O)N3CC4(CCCN4C(=O)c4ccc(B(O)O)cc4)C3)ccc21 1843011571 RIGCRGSTTGYDEI-UHFFFAOYSA-N 419.246 -0.259 50 20 HBGD C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)C2=O 728374700 PMJZYEGQGRCXHV-OHUAYANFSA-N 400.457 -0.931 50 20 HBGD CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)C1 728461260 VGFWSSAVJURQIS-SWLSCSKDSA-N 422.463 -0.234 50 20 HBGD N#Cc1ccc(OCC(=O)NNC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 729297801 HLZZPJWBAUTJAS-INIZCTEOSA-N 415.450 -0.735 50 20 HBGD CCn1nc(C(=O)NNC(=O)CCC(=O)NCCNC(C)=O)c2ccccc2c1=O 731861607 HJENGEBBYOZUAW-UHFFFAOYSA-N 416.438 -0.790 50 20 HBGD CCc1ccccc1OCC(=O)NNC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 743282349 LAQOPZCPFQVHTM-DTDBQYNISA-N 401.419 -0.062 50 20 HBGD CC(=O)[C@H]1CC(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)=NN1c1ccccc1 751362414 OTUZHRHRAXOJHF-SWLSCSKDSA-N 407.452 -0.272 50 20 HBGD Cc1cc(Cl)ccc1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765728443 RARQVJULCJJRQY-UHFFFAOYSA-N 404.814 -0.143 50 20 HBGD Cn1ncc2c(O)nc(NNC(=O)[C@@H]3CC=CC[C@H]3C(=O)N3CCOCC3)nc21 784411121 RQYNRQTWKNUUDI-VXGBXAGGSA-N 401.427 -0.047 50 20 HBGD COCCOc1ccc(F)cc1S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 786722744 MTWVTHIQLFAOJV-SECBINFHSA-N 413.449 -0.902 50 20 HBGD Cc1ccn(C[C@@](C)(O)C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c(=O)c1 790649261 BZFMFXSOGKLJPD-HXUWFJFHSA-N 414.466 -0.238 50 20 HBGD C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NNC(=O)C(=O)N1CCCC1 792115576 OJQQIMOSZSGBJY-OAHLLOKOSA-N 404.345 -0.612 50 20 HBGD COC(=O)c1ccc(OC)c(S(=O)(=O)NNC(=O)[C@H]2CCc3nncn3C2)c1 793446987 KVDHDJKHLGCXAK-NSHDSACASA-N 409.424 -0.355 50 20 HBGD CC(=O)N1CCc2ccc(S(=O)(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)cc21 1328422317 ZHBMVVPEQJTAHB-LBPRGKRZSA-N 401.466 -0.660 50 20 HBGD O=C(Cc1cn2ccccc2n1)NNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 1330445212 NFCHDRKBQYLJKA-JSGCOSHPSA-N 419.463 -0.940 50 20 HBGD Cc1nc(N)sc1C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783933912 MNGQOZUFDJVJPH-SFHVURJKSA-N 424.527 -0.150 50 20 HBGD Cc1ncc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)[nH]1 1786982652 BXRPAFWRTJTESC-ZVZYQTTQSA-N 412.255 -0.695 50 20 HBGD CCc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)n[nH]1 1787170158 VHVZVKBQTUPTDU-QRTARXTBSA-N 420.514 -0.062 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)[C@@H](O)CCl 1792981425 ZDSVHYREXNQNCK-XGPCKQHYSA-N 403.863 -0.295 50 20 HBGD Cc1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)cs1 1794907723 BASLHLAMPOLBJX-XOIINTDNSA-N 415.280 -0.352 50 20 HBGD NC(=O)CC[C@H](N)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@H]1c1cccnc1 1807041243 ARTHDACOMSLQTC-YXWQFLTLSA-N 411.890 -0.720 50 20 HBGD CN(C)c1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)o1 1833896250 RUOKHURELCMPDW-PXAZEXFGSA-N 416.862 -0.590 50 20 HBGD CC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1835455326 VSDOSRRJPRNFQP-GOSISDBHSA-N 412.198 -0.908 50 20 HBGD Cc1csc(CC(=O)NNC(=O)COC(=O)CNC(=O)c2ccc(C#N)cc2)n1 728730745 VAJARFHRWICQGQ-UHFFFAOYSA-N 415.431 -0.014 50 20 HBGD COc1ccc(C(=O)NNC(=O)CN(C)C)cc1S(=O)(=O)NCc1ccccn1 733361278 XGQXYDZNSQCCNR-UHFFFAOYSA-N 421.479 -0.109 50 20 HBGD COc1ccc(C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)cc1OC 755038321 KLZFPMSYTWHCIT-JTQLQIEISA-N 411.440 -0.435 50 20 HBGD C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 755231973 WDAPBXADFHBEDX-PWSUYJOCSA-N 421.472 -0.247 50 20 HBGD NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)c1 764168566 QXGUSPGNSBAJJG-AWEZNQCLSA-N 422.394 -0.437 50 20 HBGD CN(C)CC(=O)NNC(=O)C(=O)N1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 764203864 KOZLWCGYWSAMJN-INIZCTEOSA-N 417.466 -0.498 50 20 HBGD C#CCOc1ccc(C(C)=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 764813272 XWHUGFOLTGSYGX-UHFFFAOYSA-N 408.418 -0.014 50 20 HBGD C[C@@H](Oc1cccc(F)c1)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765726178 ZNXZOZLVMHWABT-SNVBAGLBSA-N 418.385 -0.812 50 20 HBGD CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 804867666 HYJFVOKWZNSKJT-CQSZACIVSA-N 422.471 -0.580 50 20 HBGD CNS(=O)(=O)c1ccc(C)c(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 811890903 GLSNKJAPROHZNR-UHFFFAOYSA-N 415.435 -0.046 50 20 HBGD CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NC(=O)NNC(=O)[C@H]2CCCO2)C1=O 814663559 KUXMDWYQLTXPBA-CYBMUJFWSA-N 418.410 -0.489 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)[C@H]3CCc4nncn4C3)cc2)CC1 815854683 LYUGREUZUPYUFO-AWEZNQCLSA-N 419.511 -0.080 50 20 HBGD COC[C@@H](NC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2 1779554531 WMQWPLZEVMTVCA-ATNYBXOESA-N 419.906 -0.749 50 20 HBGD CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Cl)C[C@@H]21 1784440829 UVWCHEINRIMSBV-QNWJLWSRSA-N 413.899 -0.172 50 20 HBGD C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1784481697 UVOKAGQXCDCTDL-QZWWFDLISA-N 408.499 -0.623 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCCC3=O)[C@H]2C1 1786734115 ZKXJCUKOXMSUGW-AJNGGQMLSA-N 401.891 -0.158 50 20 HBGD COCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786978785 VFTZEXPSSFQWKQ-SZMVWBNQSA-N 404.272 -0.614 50 20 HBGD CN1CCC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)CC1 1792553135 VUZFDNKPEUEUCM-HGKCTWBKSA-N 409.531 -0.709 50 20 HBGD CC(C)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2 1792782913 DRABSRTXXCQSCO-DDFAGTSDSA-N 423.861 -0.719 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC(c3ccccc3)=NN1)C2)[C@@H](O)CCl 1792984222 WOGVYLDBABYCID-QKGUJMCYSA-N 420.897 -0.058 50 20 HBGD CN1CCCC[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795732856 PKYZDIPVHNAIMQ-UKBAYJJMSA-N 415.299 -0.946 50 20 HBGD Cc1ccnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c1 1795738828 HIKQJJJTCZBERD-HGKCTWBKSA-N 409.251 -0.413 50 20 HBGD C=CC(=O)N[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1798614673 HAPXPQPARBLKOC-YIYPIFLZSA-N 414.466 -0.372 50 20 HBGD COc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)n1 1801009580 OPUYTLZNHCGKLP-HBCWATKFSA-N 419.482 -0.334 50 20 HBGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1)c1nc[nH]n1 1807866092 JFBVFRHARUZYJM-WBVHZDCISA-N 420.238 -0.487 50 20 HBGD O=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cccc(B(O)O)c3)[nH]n2)=NN1 1819340404 UHZUDYUSVKPCRQ-HNNXBMFYSA-N 424.226 -0.729 50 20 HBGD O=C(c1cc2ncccn2n1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830730780 DSWKDXJICZFTCK-KDOFPFPSSA-N 423.857 -0.601 50 20 HBGD O=C(c1cccc(=O)n1O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1833472056 QQTZIOQOTHEJKZ-XJKSGUPXSA-N 403.794 -0.310 50 20 HBGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](N)CCC(N)=O)CCO2)C1 1835557214 AGNOUSQNHBWCGW-SUNYJGFJSA-N 418.922 -0.557 50 20 HBGD Cn1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)n1 1836055393 JJAQRZFTXJYTNP-RHSMWYFYSA-N 400.863 -0.981 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCC(OC2CCN(C(=O)Cn3cnnn3)CC2)CC1 1837968286 HTAKPWPPAPXRDA-OAHLLOKOSA-N 414.894 -0.075 50 20 HBGD COC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840183152 SPBBCOTZZLGIBQ-IBGZPJMESA-N 414.503 -0.759 50 20 HBGD CN(CCO)c1ccc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)cc1 730569258 SHKIOUHUUVUXHO-UHFFFAOYSA-N 406.468 -0.850 50 20 HBGD CNS(=O)(=O)[C@H]1CCCN(CC(=O)NNC(=O)c2ccc(OC)c(OC)c2)C1 733311227 PIBDJSMUDSWCQM-ZDUSSCGKSA-N 414.484 -0.522 50 20 HBGD C[C@@H](O)[C@@H](NC(=O)C(C)(C)C)C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1 745701359 DRBCRSBTDRDZTQ-IAQYHMDHSA-N 404.423 -0.226 50 20 HBGD COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNC(=O)C(=O)N3CCCC3)C2=O)cc1 748246510 BMFCWTHGLNUVMK-LJQANCHMSA-N 417.422 -0.768 50 20 HBGD Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)NNc1ccc(C(N)=O)nn1 757403163 WYZKBEBRHFDABL-UHFFFAOYSA-N 407.456 -0.155 50 20 HBGD COc1ccc([C@]2(C)NC(=O)N(CC(=O)NNc3ccc(C(N)=O)nn3)C2=O)cc1 757408695 XDXQEDIJRKZYTO-SFHVURJKSA-N 413.394 -0.506 50 20 HBGD CCN(CC(=O)NNC(=O)c1ccc(C)cc1)CC(=O)N[C@@H]1CCS(=O)(=O)C1 762268198 FJFVIBXRPVBPMR-OAHLLOKOSA-N 410.496 -0.619 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C[C@@H]2CCc3ccccc32)n(C)c1=O 765725941 WSWVXACKFLTQCN-ZDUSSCGKSA-N 410.434 -0.299 50 20 HBGD O=C(NNS(=O)(=O)c1ccc(C(=O)O)cc1Cl)N[C@@H]1CCS(=O)(=O)C1 768498076 GSWISRYOZCIHGD-MRVPVSSYSA-N 411.845 -0.282 50 20 HBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)NC[C@@H](C)O)cc1 772001245 CBVYDMDXUWBQJQ-MNOVXSKESA-N 401.441 -0.552 50 20 HBGD Cc1csc(CC(=O)NNC(=O)COC(=O)CNc2ccc(C(N)=O)cc2)n1 786278262 ZNDJJPCKLPTTBN-UHFFFAOYSA-N 405.436 -0.104 50 20 HBGD Cn1nnc(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)n1 787436876 KNTJCTUNUNSHHI-UHFFFAOYSA-N 422.471 -0.471 50 20 HBGD Cc1c(/C=C(/C#N)C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc(C#N)n1C 811623977 LKQITQRSFYTQNA-XGICHPGQSA-N 410.390 -0.482 50 20 HBGD Cc1nnnn1/C(=C\c1ccccc1)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 920746581 XWAXUGWMZGVVKN-CKXDQPNJSA-N 405.440 -0.503 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](O)N3CCOCC3)CCO2)C1 1781230516 UNJYXEAVFZCZRU-XOKHGSTOSA-N 424.325 -0.297 50 20 HBGD C[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1 1783539536 KVDNQEFZZPCAFL-MEDUHNTESA-N 414.256 -0.475 50 20 HBGD O=C(CCN1C(=O)C=CC1=O)N1CCO[C@@]2(CCN(C(=O)C(Cl)Cl)C2)C1 1783942173 KMBNFNHWEWIUJS-INIZCTEOSA-N 404.250 -0.065 50 20 HBGD C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)n1cncn1 1784484697 NVJNXVQFYOKMFS-KSSFIOAISA-N 407.475 -0.958 50 20 HBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Cl)[C@H]2C1 1787446572 REDGULBOUWXMDU-YTFOTSKYSA-N 422.837 -0.005 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)no3)[C@H]2C1 1788976474 RQUAOAJYLUWXDA-OBJOEFQTSA-N 409.443 -0.654 50 20 HBGD Cc1nc[nH]c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797750955 WTAHICFWOAZNMO-DRXBFXEBSA-N 413.438 -0.766 50 20 HBGD C[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN)n1cnnn1 1798443647 RXSHFWDJCJUXJQ-FVCCEPFGSA-N 413.442 -0.815 50 20 HBGD COC(=O)C12CC(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@H](O)CCl)C4)(C1)C2 1800702183 BMYSOGBUBGCMAM-BNDXCKPFSA-N 400.859 -0.481 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccnc1)C2 1801013407 SWSWXICDVPYSOA-UPHUGPLXSA-N 417.510 -0.023 50 20 HBGD C[C@]1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)CC1(F)F 1802000163 OSKVACAUERDPQK-ZFHGCVPZSA-N 408.210 -0.385 50 20 HBGD CC(=O)C(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810299468 QRKOQNAEQWUQQA-PBHICJAKSA-N 410.434 -0.011 50 20 HBGD CN1CC(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2ccc(B(O)O)cc2)CC3)C1 1827266570 HRUKSWSHVBPOFI-AWEZNQCLSA-N 414.296 -0.390 50 20 HBGD CCn1nc(C)cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830724246 WWUQIWGFQNDABA-YJBOKZPZSA-N 414.890 -0.119 50 20 HBGD O=C(NC1CCN(C2CCN(C(=O)[C@H](F)Cl)CC2)CC1)[C@@H](O)N1CCOCC1 1835764092 LHTVPYWXZJGJQR-MAUKXSAKSA-N 420.913 -0.257 50 20 HBGD O=C(Cc1ccc(F)cn1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1836027689 NXFOKHVAQYGBHH-MAUKXSAKSA-N 415.849 -0.181 50 20 HBGD CN1CCN(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Cl)C3)C2)CC1 1836672235 PDAUQZCBXIOXGL-WBVHZDCISA-N 406.886 -0.775 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3noc(C)n3)C2)C1 1840150767 RMHIUYRFQHMEGV-CXAGYDPISA-N 416.862 -0.369 50 20 HBGD O=C(CCn1cncn1)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1840359520 KMDLXDCRBIPLHT-HNNXBMFYSA-N 406.270 -0.072 50 20 HBGD CNS(=O)(=O)c1csc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)c1 748839091 ZUOOHJVTMZJWJU-PHIMTYICSA-N 404.514 -0.084 50 20 HBGD C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NNC(=O)CNC(=O)c1ccco1)C2=O 751206981 OTQOOIYEMAZDTN-VOJFVSQTSA-N 405.411 -0.343 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C[C@@H]1CSCCN1C(=O)OC(C)(C)C 758043619 IQWCDQZYHNHEBO-WDEREUQCSA-N 424.545 -0.186 50 20 HBGD CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NNC(=O)c1cccnc1 763492275 SBEOZSYUBZAXRX-UHFFFAOYSA-N 417.447 -0.318 50 20 HBGD CN(C)c1ncncc1NC(=O)C(=O)NNC(=O)COc1ccccc1[N+](=O)[O-] 763803972 PZKXZPOEBAZKEB-UHFFFAOYSA-N 403.355 -0.384 50 20 HBGD CC(C)Oc1cc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)ccn1 765729789 GVXBQUIQSQJXOE-UHFFFAOYSA-N 415.410 -0.923 50 20 HBGD C[C@@H](C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1)N1C(=O)CCC1=O 766636978 VZJQVNPICNNNMV-AWEZNQCLSA-N 415.450 -0.871 50 20 HBGD COCCO[C@H]1C[C@H](CO)CN(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)C1 773962396 IJEVUUQJGWULBU-BBRMVZONSA-N 410.427 -0.298 50 20 HBGD CC(C)NC(=O)C(=O)NNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1 775257957 YYFQUXULHQXLBG-UHFFFAOYSA-N 418.497 -0.695 50 20 HBGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NCCC2CS(=O)(=O)C2)nc1 786840537 GMWFUNKKLLLYSW-UHFFFAOYSA-N 405.502 -0.171 50 20 HBGD CN(C)S(=O)(=O)c1cc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)ccc1F 806543934 NSNNDYCUCKNJOK-SECBINFHSA-N 422.460 -0.337 50 20 HBGD CNS(=O)(=O)c1cc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)ccc1F 806544480 HKHHCFMHRULBSW-MRVPVSSYSA-N 408.433 -0.679 50 20 HBGD CCC[C@H](C(=O)NNC(=O)c1sc(N2CCOCC2)nc1C)S(N)(=O)=O 816828975 WUBJRYGKRVNXJF-SNVBAGLBSA-N 405.502 -0.494 50 20 HBGD CCN(CC)S(=O)(=O)c1ccc(CNC(=O)NNC(=O)C(=O)NC2CC2)s1 916233368 VHLQKHIWTSOIGK-UHFFFAOYSA-N 417.513 -0.112 50 20 HBGD CON(C)S(=O)(=O)c1cccc(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)c1 1321403173 HOUFITCXJSEXTF-CYBMUJFWSA-N 405.498 -0.026 50 20 HBGD C[C@@H](C(=O)NNC(=O)c1n[nH]c2c1CCCC2)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 1322222745 LGFWMTHBJLSUGR-YPCYXAEESA-N 401.423 -0.400 50 20 HBGD O=C(c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O)N1CC[C@@H](B(O)O)C1 1330263009 YHQBNSUKXYDZQU-CHWSQXEVSA-N 408.241 -0.301 50 20 HBGD CN(CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@](C)(Cl)CCl)C2)C1)C(=O)C(=O)O 1781231760 DTKXMCSQMPBWSL-CVEARBPZSA-N 424.281 -0.404 50 20 HBGD CCNC(=S)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1790569316 TTYATAQDEOVYEJ-CYDGBPFRSA-N 406.936 -0.950 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCN1CCOC1=O)c1ccc(B(O)O)cc1 1797743368 OOZWRTYOXNPBMJ-BJWYYQGGSA-N 415.255 -0.540 50 20 HBGD Cc1n[nH]c(C)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801011525 MWMXIUKJVFBBRI-ZSBFGKGUSA-N 406.487 -0.397 50 20 HBGD O=C(CCn1ccnn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2 1801394119 AWVVIGFIGFUDBJ-LFSVMHDDSA-N 404.240 -0.052 50 20 HBGD Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)n[nH]1 1837583401 RAKULBLXJWERDA-RHSMWYFYSA-N 400.863 -0.683 50 20 HBGD COC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1837731352 VZRASQKAYHIJSK-WOSRLPQWSA-N 409.842 -0.872 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)NC3)C2)C1 1839141805 SYBPTOGIQRTTNP-GLJUWKHASA-N 401.891 -0.014 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(N)=O)C2)C1 1840035082 FSZOUVWWBPBISX-XHDPSFHLSA-N 406.277 -0.508 50 20 HBGD Cc1nocc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840183387 AYXZMPCBEPDXGP-LJQANCHMSA-N 423.470 -0.574 50 20 HBGD CSCC[C@H](O)C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844265202 FVKHYYCPZMKQAQ-AWEZNQCLSA-N 407.496 -0.384 50 20 HBGD COCCCNC(=O)[C@H](C)N1CCN(C(=O)NNC(=O)Cc2cccnc2)CC1 728957676 HESQHQMMIJPGBB-HNNXBMFYSA-N 406.487 -0.476 50 20 HBGD O=C(NNC(=O)C(=O)N1CCCC1)N[C@@H](Cc1ccccc1)CN1CCOCC1 732476731 UYYKBKDWKZQFGA-KRWDZBQOSA-N 403.483 -0.117 50 20 HBGD CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 749334894 GNHXEXLRRVDXEQ-MEDUHNTESA-N 424.454 -0.064 50 20 HBGD C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNC(=O)c1ccc(Cl)cc1O 755695977 VSIMYYJIIOANGL-MRVPVSSYSA-N 401.832 -0.093 50 20 HBGD C[C@@](O)(CN1Cc2ccccc2C1=O)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 756795776 BYPNYSPUWWEEQK-HXUWFJFHSA-N 421.417 -0.170 50 20 HBGD O=C(NNS(=O)(=O)c1cc(C(=O)O)cc(F)c1F)N[C@H]1CCS(=O)(=O)C1 756935535 FLZFTJSXGGSFIG-ZETCQYMHSA-N 413.380 -0.657 50 20 HBGD CNC(=O)Cn1cc(NC(=O)C(=O)NNC(=O)CN2CCCc3ccccc32)cn1 763728177 IUTGTRCLXPTQFR-UHFFFAOYSA-N 413.438 -0.832 50 20 HBGD CCOCC(=O)NNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C 764326003 XOFPOFCNFCDMIV-UHFFFAOYSA-N 415.472 -0.875 50 20 HBGD C[C@H]1CN(c2ccc(NC(=O)C(=O)NNC(=O)[C@H]3COCCO3)cc2)C[C@@H](C)O1 764426693 WBBGRDDFYWIFNU-DVOMOZLQSA-N 406.439 -0.199 50 20 HBGD COc1ccc(C(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)cc1-n1cnnn1 776101562 JVOHQOSXYMBSQM-CHWSQXEVSA-N 403.443 -0.069 50 20 HBGD CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NNC(=O)[C@H]1COc2ccccc2O1 787881796 NDGWVGQYSJPGBN-UHIISALHSA-N 408.411 -0.387 50 20 HBGD CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NNC(=O)NCC(=O)OC)c1 800839844 QUKHOTALWAHNNP-UHFFFAOYSA-N 422.485 -0.617 50 20 HBGD CC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783932839 HHPLBPSLYOXFEN-HNAYVOBHSA-N 411.503 -0.896 50 20 HBGD N[C@@H](Cc1cccnc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784090723 LQELCPBWIXJRFP-WOYTXXSLSA-N 410.902 -0.469 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)CCC(N)=O 1795534227 MWVYAZMREMYLTQ-NWPKGIRNSA-N 409.314 -0.595 50 20 HBGD CNC(=S)NCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1798444397 RDLCUHLJRWFFML-MUJYYYPQSA-N 418.328 -0.898 50 20 HBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCCCC1=O 1800894032 JQAXCRMXKOMSTH-LOUJCGABSA-N 401.891 -0.158 50 20 HBGD C[C@@H](NC=O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827052462 JUSXBKWGQYUEKX-BEFAXECRSA-N 415.299 -0.266 50 20 HBGD O=C1C[C@@H](C(=O)N2CCC(N3CCC(NC(=O)[C@H](O)CCl)CC3)CC2)CN1 1833312229 LUCRDAADWOEPLK-IUODEOHRSA-N 400.907 -0.706 50 20 HBGD O=C(c1[nH]nc2ccncc12)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1836447127 GUWIFRKWRNFEPC-KDOFPFPSSA-N 423.857 -0.372 50 20 HBGD CC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1839876404 OWPQIUYQWWJUHJ-LRDDRELGSA-N 420.304 -0.248 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840030804 WXHHCLWXHSNCEY-WDMOLILDSA-N 413.696 -0.174 50 20 HBGD CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)Cc2ccccn2)cc1 746221614 XGJYVXMZDUJWCS-UHFFFAOYSA-N 420.447 -0.073 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(-c2nnc(N(C)C)o2)cc1 757719903 PDMVFIZVLZTLBK-SECBINFHSA-N 411.444 -0.107 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cn(-c2ccccc2C(F)(F)F)nn1 758051964 IRETUVOHJYNVCP-MRVPVSSYSA-N 420.373 -0.015 50 20 HBGD CN(C)c1ccc2c(c1)N(C)C(=O)C2=NNC(=O)CSc1nnc(O)nc1O 761787156 XAPRSQBTGPWWNS-UHFFFAOYSA-N 403.424 -0.062 50 20 HBGD CCn1nccc1NC(=O)C(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 763737908 QQBHGAOJPKAACJ-UHFFFAOYSA-N 422.467 -0.382 50 20 HBGD O=C(CC1CC1)NNC(=O)C(=O)Nc1ccccc1OCC(=O)N1CCOCC1 764143559 VUSZGQWUCNUHEG-UHFFFAOYSA-N 404.423 -0.190 50 20 HBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1 764204770 ULQNWDVWYAJJDO-UHFFFAOYSA-N 406.834 -0.159 50 20 HBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)NC(C)(C)C)c1 764300147 LSNWKVCHWICIEC-UHFFFAOYSA-N 400.457 -0.196 50 20 HBGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)c(OC(F)F)c1 764425185 NOOPNQKFVONYTM-NSHDSACASA-N 417.321 -0.424 50 20 HBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)N2CCOCC2)c1 765012757 FPRAGDDQJGMGTA-UHFFFAOYSA-N 420.513 -0.472 50 20 HBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)[C@H]1CCS(=O)(=O)C1 765734710 CPKZOXRQKDJYPE-HNNXBMFYSA-N 408.480 -0.974 50 20 HBGD COc1ccc(C(=O)NNC(=O)COC(=O)CN2C(=O)NC(C)(C)C2=O)cc1OC 770421522 ZBVYABZJLYSLJM-UHFFFAOYSA-N 422.394 -0.662 50 20 HBGD CN1CCN(C(=O)NNC(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 773673881 QQBIGUKLAYASRM-UHFFFAOYSA-N 423.417 -0.028 50 20 HBGD Cc1ccn(C[C@@](C)(O)C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)c(=O)c1 790463763 YWMJHGYZSDUUQT-HXUWFJFHSA-N 411.418 -0.384 50 20 HBGD N#Cc1ccc(OCC(=O)NNC(=O)NC2CCC3(CC2)NC(=O)NC3=O)cc1 807547020 VQZAYSDZVVEUTF-UHFFFAOYSA-N 400.395 -0.212 50 20 HBGD O=C(CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2)N1CC[C@H](B(O)O)C1 864232256 YHOWGPFWWZGRIT-ZDUSSCGKSA-N 412.273 -0.018 50 20 HBGD CS(=O)(=O)N1CCC(NC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)CC1 914535095 DVDYAOFXKFCZKM-UHFFFAOYSA-N 422.467 -0.054 50 20 HBGD COc1ccc(C(=O)NNC(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)cc1OC 1322948135 CUPMPAHPUPOCQD-LLVKDONJSA-N 400.457 -0.071 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)C3CN(C)C3)C2)C1 1784782196 NOOSDCLLXLMBND-YRXLECQKSA-N 416.482 -0.488 50 20 HBGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)n1ccccc1=O 1788746868 VOQOGCRKHQNBTF-YXMSTPNBSA-N 411.886 -0.011 50 20 HBGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1nccn1)C2 1792873536 CMNZSOAEWJKJSH-NRWUCQMLSA-N 400.277 -0.101 50 20 HBGD Cn1ccc(=O)cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796188605 ZBOWCGHSFKLOIN-BJWYYQGGSA-N 409.251 -0.369 50 20 HBGD C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796189940 NCIHXONVGMFLJH-VDNDLQMASA-N 422.312 -0.701 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CCC(=O)NC1)C2 1798440199 QCDHNGOWZBBNAT-YIYPIFLZSA-N 414.466 -0.537 50 20 HBGD C[C@H](Br)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(CCO)CCO 1801735484 NPMGDPQAHKNHGJ-FQUUOJAGSA-N 406.321 -0.305 50 20 HBGD CNC(=O)CC(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807360003 OEWFEEDBXCCZGG-JXFKEZNVSA-N 424.266 -0.783 50 20 HBGD Cn1nncc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817471385 XQCYVHWHWVUOJM-OAHLLOKOSA-N 423.242 -0.162 50 20 HBGD CC(=O)NCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCC(=O)NN(C)C)n[nH]1 1822416401 COPDJCZTERPWBW-CQSZACIVSA-N 407.475 -0.089 50 20 HBGD COC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1829941674 MATDZZCDYBBGOM-LJQANCHMSA-N 414.503 -0.759 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CCC(=O)N3)CCO2)C1 1835307770 HOBYJTJXCXRBHS-DQYPLSBCSA-N 422.309 -0.042 50 20 HBGD CCC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cnnn3)CCO2)C1 1836142300 XIQVJJYDYXHBCS-CZUORRHYSA-N 400.867 -0.463 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccnn3)C2)C1 1840032239 SFCKCJGGVIFMPT-SWLSCSKDSA-N 416.276 -0.482 50 20 HBGD CC(C)(C)OC(=O)CC(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1841743228 AOLCOXFEMJPWES-UHFFFAOYSA-N 402.256 -0.085 50 20 HBGD O=C(CCC(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1)N1CCCC1 1843013256 ZLXWOVMZAKIXCA-UHFFFAOYSA-N 413.283 -0.414 50 20 HBGD CC[C@@H](Br)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1C(=O)CNC1=O 1848033947 IMALKIWNAOOEKD-VWYCJHECSA-N 401.261 -0.087 50 20 HBGD Cc1nc2nc(N)nn2c(C)c1CC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 17193171 MZZWRSHJQMVHGJ-UHFFFAOYSA-N 421.421 -0.426 50 20 HBGD O=C(CN1CCN(C(=O)CN2CCCC2)CC1)NNC(=O)c1cccc([N+](=O)[O-])c1 728575836 JQFJNFQKDYSNSC-UHFFFAOYSA-N 418.454 -0.404 50 20 HBGD NC(=O)[C@@H]1CCCN(CCCNC(=O)NNC(=O)CNC(=O)c2cccs2)C1 729499774 YTKQCUPYNMUJSU-GFCCVEGCSA-N 410.500 -0.604 50 20 HBGD CN1CCN([C@H](C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c2ccccc2)CC1 732062980 ZBMALFLOSMPXJR-HOTGVXAUSA-N 409.512 -0.507 50 20 HBGD Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)NNC(=O)C(=O)N1CCCC1 748240211 CEASMALGMCRKQT-UHFFFAOYSA-N 411.484 -0.417 50 20 HBGD C[C@H](C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1)N1C(=O)CCC1=O 748620647 STOMTAISPBRNCM-CYBMUJFWSA-N 423.495 -0.397 50 20 HBGD Cc1ccc(F)c(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 755411401 YDNWBRGHRLFXEJ-UHFFFAOYSA-N 403.374 -0.266 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(CCS(C)(=O)=O)cc1 757748390 FYYCJVOCOHTNAO-JTQLQIEISA-N 406.486 -0.636 50 20 HBGD C[C@]1(c2cccc(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)c2)NC(=O)NC1=O 769059642 LCOBKGRJMICBRE-LJQANCHMSA-N 420.389 -0.208 50 20 HBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O 772160521 QNCNAUPAZLWKOS-GWCFXTLKSA-N 418.406 -0.594 50 20 HBGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1ccnn1-c1ccncc1 784003660 KYHVWLVUNIKVRS-UHFFFAOYSA-N 413.419 -0.155 50 20 HBGD CNC(=O)CN1CCC(NC(=O)NNC(=O)CNC(=O)OCc2ccccc2)CC1 792800606 GXGXDKMIWRIKCF-UHFFFAOYSA-N 420.470 -0.546 50 20 HBGD COCCN(C)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 808074767 KMZRBHDENOLHDS-UHFFFAOYSA-N 412.512 -0.091 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3cnsn3)CCO2)C1 1779029605 ZMHBMDPCQAMBQM-KRWDZBQOSA-N 417.451 -0.706 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1 1782754614 VRLRUUNWCOGMNH-BONVTDFDSA-N 420.260 -0.857 50 20 HBGD CC1=C(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)CCO1 1786979777 GIYOEUBFECAAPE-SNRMKQJTSA-N 414.267 -0.346 50 20 HBGD CO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1791319617 YSZZIMFMZCGHHF-APYUEPQZSA-N 405.455 -0.687 50 20 HBGD CC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)n2[nH]cnc2n1 1795730218 NGYCEMDJDPOLDG-FBKDDSFISA-N 408.846 -0.362 50 20 HBGD CCCC(=O)N[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796191809 BBKFBICXRVQKDL-NKGKWGDASA-N 415.299 -0.077 50 20 HBGD CC(=O)C(=O)N1CC[C@@H](CNC(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1810299474 QRKOQNAEQWUQQA-YOEHRIQHSA-N 410.434 -0.011 50 20 HBGD Cn1ccc(=O)cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731696 MEFXSBBGUWEISZ-MAUKXSAKSA-N 413.858 -0.945 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc[n+]([O-])c3)CCO2)C1 1833279290 SGTCDJNNFGFELA-QAPCUYQASA-N 413.858 -0.356 50 20 HBGD CCC(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1834811635 OPCQTAPWYGSRFE-KNGGAZFVSA-N 405.455 -0.013 50 20 HBGD O=C(c1cnc2snnc2c1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014156 DJVZURHFKWLXAN-UHFFFAOYSA-N 423.263 -0.103 50 20 HBGD CCC(=O)N[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844263461 HHAILJNICQTTHY-LBPRGKRZSA-N 402.455 -0.583 50 20 HBGD O=C(CNC(=O)c1cccs1)NNC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 725873164 LCMUBOCZSVEQRG-LBPRGKRZSA-N 419.419 -0.321 50 20 HBGD Cc1csc(CC(=O)NNC(=O)CN2CCCC[C@@H]2C(=O)N2CCOCC2)n1 727438523 AMJAFNFODJNALP-CQSZACIVSA-N 409.512 -0.145 50 20 HBGD CC(C)CS(=O)(=O)CC(=O)OCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 732324915 FXTKIWVGMYFDFY-UHFFFAOYSA-N 401.397 -0.030 50 20 HBGD Cc1cc(=O)c(C(=O)NNC(=O)[C@H]2COCCO2)nn1-c1ccccc1[N+](=O)[O-] 744643113 AMAXTTMFIUNYCF-CQSZACIVSA-N 403.351 -0.374 50 20 HBGD C[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 748737856 XEAPOTWOLPMBEH-NHYWBVRUSA-N 417.374 -0.072 50 20 HBGD COc1cc(C(=O)NNC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)cc(OC)c1OC 753563087 JCZFKPGJLRJUCJ-GFCCVEGCSA-N 415.468 -0.408 50 20 HBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1Cl 764203195 GWEHFUVWNAQJLB-UHFFFAOYSA-N 417.875 -0.473 50 20 HBGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cc(F)c(F)cc1C(=O)OC 764398351 FZDFGMCCMPYWFC-QMMMGPOBSA-N 403.338 -0.111 50 20 HBGD C[C@@H](C(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1)S(=O)(=O)C1CCOCC1 767823423 UGOIDYKQKVKYQN-MCIONIFRSA-N 405.517 -0.385 50 20 HBGD COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NNC(=O)c2cc(C)[nH]n2)C1=O 771276322 WKZLUCDVMJEALF-SFHVURJKSA-N 400.395 -0.045 50 20 HBGD Cc1n[nH]cc1C(=O)NNC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 776061786 NXTYSBWCSMSECC-UHFFFAOYSA-N 409.428 -0.399 50 20 HBGD CN(C)S(=O)(=O)c1cc(C(=O)NNc2nccc(N3CCOCC3)n2)n(C)c1 779230206 BPCOIWIIQAHJIJ-UHFFFAOYSA-N 409.472 -0.341 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)[C@@H]3CO[C@H](C)C3)CC2)cc1 784157922 UXQHPHUTFDUFSI-CVEARBPZSA-N 424.523 -0.126 50 20 HBGD C[C@](O)(Cn1ccccc1=O)C(=O)OCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 790674013 JWNGFNYTMOMANH-SFHVURJKSA-N 418.362 -0.488 50 20 HBGD CN(CCCNC(=O)NNC(=O)CNC(=O)OCc1ccccc1)S(C)(=O)=O 792830504 DJMQNDOKPQQEQO-UHFFFAOYSA-N 415.472 -0.475 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(C)COC1)C2 1782210078 CXBHWYZTUIJGGZ-FOIQADDNSA-N 410.515 -0.090 50 20 HBGD CC[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C[C@@H]21 1783957888 OJDUQBGBIXOQDS-MQTBOEIUSA-N 419.482 -0.129 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCOC3)C2)C1 1784718920 CSLAZONBNSHMID-DJJJIMSYSA-N 403.439 -0.835 50 20 HBGD Cc1ocnc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786980955 GZOWGZDBNNQYDK-XIRDDKMYSA-N 413.239 -0.430 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@H](O)CN3)[C@H]2C1 1789762930 MSCFKEBFDIWMKO-JDRSYFSLSA-N 408.326 -0.075 50 20 HBGD CC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@H]2C1 1790635131 CMIBSDMPYGQODS-RVMXOQNASA-N 403.863 -0.474 50 20 HBGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)n3cnnn3)C[C@@H]21 1791256355 NFOJBKILABGXGY-YHQUGGNUSA-N 400.867 -0.532 50 20 HBGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@](C)(O)CC(=O)O)C[C@@H]21 1791257347 BEYOVPQVWAQALT-PLGIXQIDSA-N 420.890 -0.164 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1C1CC1 1792851303 GIPXDQXVRRSVQD-RZXDWDHASA-N 413.478 -0.066 50 20 HBGD COC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)C1 1792975009 HQHJVKHIAKITCG-QAIIKZMUSA-N 402.875 -0.235 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)c1cccn2c(O)nnc12 1796286022 NWNHZUICXIYSJG-LFSVMHDDSA-N 409.830 -0.762 50 20 HBGD CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1799393162 BUHVDBYJNPILAV-SCNOPHJPSA-N 417.271 -0.630 50 20 HBGD Cc1ncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)cn1 1801009434 ICSSDQROTORDRV-JLVBRIDZSA-N 404.471 -0.639 50 20 HBGD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)n(C)n1 1801009592 PQFOJDOHSFQCBU-ZSBFGKGUSA-N 406.487 -0.695 50 20 HBGD O=C(c1cnccc1F)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830723124 LKRVEWLTDNPZQM-RHSMWYFYSA-N 401.822 -0.110 50 20 HBGD CC(C)(C)OC(=O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830726420 QKJXUESQLWUAFX-ACJLOTCBSA-N 420.890 -0.226 50 20 HBGD O=C(Cc1cscn1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1836038029 WOOCHJOPCDUQLK-XJKSGUPXSA-N 403.888 -0.258 50 20 HBGD Cn1nncc1C(=O)N1CCOC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837710078 HHAJDBMEFJOIAY-QGZVFWFLSA-N 411.535 -0.263 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)[C@@H]2CCC(=O)NC2)C1 1841113307 ZPTHIQAICAQEOA-GFCCVEGCSA-N 400.439 -0.972 50 20 HBGD CN(C)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1842285054 CUGIHGGLAAQRQI-UHFFFAOYSA-N 408.267 -0.042 50 20 HBGD COc1ccc(C)cc1N1C[C@@H](C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)CC1=O 728386273 VKEXTSPPZWGQCX-OLZOCXBDSA-N 409.464 -0.061 50 20 HBGD C[C@H]1CN(CCC(=O)NNC(=O)CCN2C(=O)NC3(CCCC3)C2=O)C[C@@H](C)O1 732260686 GOSIKQYUPCJVGA-OKILXGFUSA-N 409.487 -0.112 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(Br)c(F)c1 743257330 JZEOZKMNHBHRPD-ZCFIWIBFSA-N 418.266 -0.165 50 20 HBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)[C@@H]2CCn3ccnc3C2)CC1 749239417 DYSIHNVXOGMGHH-CQSZACIVSA-N 419.511 -0.080 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cnn(-c2cnc3ccccc3n2)c1 757783354 XSTWSEMGYQOCSV-SNVBAGLBSA-N 418.439 -0.094 50 20 HBGD CCCOc1cc(F)ccc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764227730 QYHSDFGIYFFTRE-SECBINFHSA-N 404.420 -0.362 50 20 HBGD COC(=O)NNC(=O)C(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1 765373138 WOLBUJOZOPRRPB-UHFFFAOYSA-N 403.395 -0.174 50 20 HBGD CC(C)[C@H](C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1)N1CCCS1(=O)=O 772645939 BTOOESOCFKEIEZ-CQSZACIVSA-N 417.509 -0.089 50 20 HBGD COC(=O)[C@@H](C)n1cccc1C=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O 774590257 UNLOXIFFKMVDNZ-SNVBAGLBSA-N 408.440 -0.743 50 20 HBGD CCc1nc2ccccc2n1CC(=O)NNC(=O)C1CCN(S(=O)(=O)NC)CC1 794776639 UCPDQVYACNUYOW-UHFFFAOYSA-N 422.511 -0.078 50 20 HBGD Cc1c(/C=C(\C#N)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc(C#N)n1C 798119342 VURNMIAJDMPYFS-GZTJUZNOSA-N 424.461 -0.358 50 20 HBGD O=C(NNS(=O)(=O)c1cc2c3c(c1)CC(=O)N3CCC2)[C@H]1CCS(=O)(=O)C1 1116600772 ODOUIIKLUFNCJX-NSHDSACASA-N 413.477 -0.734 50 20 HBGD N#Cc1cccc(C(=O)NNC(=O)CN2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1 1323016510 QHFQIKTUXGHNNJ-MRXNPFEDSA-N 405.480 -0.876 50 20 HBGD O=S1(=O)CC[C@H](S(=O)(=O)N2CCN(CCI)CC2)C1 1324593293 VQFYSSWZVFGABJ-JTQLQIEISA-N 422.310 -0.444 50 20 HBGD CC(C)NCCC(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779031164 MPAYTABINVAAQU-HXUWFJFHSA-N 418.498 -0.483 50 20 HBGD CC(C)O[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1779167862 WESCLOPYULHQNO-MGPUTAFESA-N 404.272 -0.377 50 20 HBGD O=C(CN1CCOCC1)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781327882 CLHMJPKBRJHQGO-ZFWWWQNUSA-N 408.268 -0.161 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCCCO3)[C@H]2C1 1783614530 POSSKBZIARLELN-NXOAAHMSSA-N 410.515 -0.092 50 20 HBGD O=C(C1=COCCC1)N1CC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1784001822 HYNVLGUVERGOEM-HXUWFJFHSA-N 400.240 -0.496 50 20 HBGD N#Cc1c[nH]c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)c1 1789344180 WPAMLMBITLFBRR-IEZWGBDMSA-N 422.250 -0.527 50 20 HBGD CS(=O)(=O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](F)Br)[C@H]2C1 1789922274 HHGQQDFEOHMJGQ-QFOLPQNPSA-N 415.281 -0.299 50 20 HBGD CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795739960 WKQRMDXAYJGRJN-NYCLONFESA-N 417.271 -0.630 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCCO1 1795898835 HGOQUXDRTAGDEW-WGCSPTNMSA-N 417.466 -0.111 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(O)nc1O)C2)[C@@H](F)Br 1799347564 PWWYWYCKLBXHME-BKFJMODKSA-N 419.207 -0.219 50 20 HBGD Cn1cccc1C(=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1803097715 KCKQIMGMLIKYDR-BJWYYQGGSA-N 409.251 -0.160 50 20 HBGD O=C(NC[C@@H]1CCN(C(=O)Cn2ccncc2=O)[C@@H]1c1cccnc1)[C@H](O)CCl 1803147428 HSSBTXTXYRIGEZ-HDMKZQKVSA-N 419.869 -0.056 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC(=O)NC1)CCO2 1829959860 JXIJZENKYCUOCR-QWQRMKEZSA-N 417.890 -0.777 50 20 HBGD CCCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837668981 DIXRWHROUDFUFI-QWQRMKEZSA-N 419.906 -0.653 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCOCC3)C2)C1 1839143598 BLNFDQNAWADJJF-CRAIPNDOSA-N 403.907 -0.208 50 20 HBGD CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1839879102 OZZVWVBXTZOJRR-KDOFPFPSSA-N 415.563 -0.181 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2cnc(OCF)cn2)C1 1842243947 ROUHKRQPZSBSSN-UHFFFAOYSA-N 414.202 -0.407 50 20 HBGD CCOC(=O)O[C@H](C)C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014792 CEMNRRKXCQHCKI-CYBMUJFWSA-N 404.228 -0.255 50 20 HBGD CCNS(=O)(=O)CCNC(=O)NNc1ccc(S(=O)(=O)N(CC)CC)cn1 731760243 WPDKCOLPURKQOJ-UHFFFAOYSA-N 422.533 -0.323 50 20 HBGD CCOc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)N2CCOCC2)cc1 745993023 SZYZAIAOKPROCW-UHFFFAOYSA-N 400.457 -0.173 50 20 HBGD COc1cc(OC)cc(N2CC[C@H](NC(=O)NNC(=O)C(=O)N3CCCC3)C2=O)c1 747955967 QNXHBUZKWKRUQI-HNNXBMFYSA-N 419.438 -0.238 50 20 HBGD O=C(COc1ccccc1O)NNC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F 764277637 LVFMWAZVDZDKSR-UHFFFAOYSA-N 415.341 -0.328 50 20 HBGD NC(=O)N1CCC[C@H]1C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766641778 FFHHSXPNEFUFGT-HNNXBMFYSA-N 402.455 -0.865 50 20 HBGD CC(C)(C)S(=O)(=O)CC(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 767825392 JHTVPXKGJBMDOG-ZDUSSCGKSA-N 414.436 -0.270 50 20 HBGD O=C(O)Cn1cc(C=NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)nn1 768477718 XQNLZZWNPCAKMH-UHFFFAOYSA-N 406.424 -0.089 50 20 HBGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)NNC(=O)[C@@H]1Cc2ccccc2O1 787740151 QAIGLRMRWFQAHR-HNNXBMFYSA-N 408.378 -0.359 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NN=C3C(=O)OC[C@H]3C)CC2)cc1 794920370 LBSPJYDFFNGGEJ-CQSZACIVSA-N 408.480 -0.034 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cncc(-n3ccnn3)c2)c1 801796086 DZEKVUMSPHGSND-UHFFFAOYSA-N 415.435 -0.013 50 20 HBGD COC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)C(F)(F)Oc1ccccc1 815569612 AORVUOASCXXMDS-UHFFFAOYSA-N 411.321 -0.036 50 20 HBGD NC(=O)[C@H]1CCCN1Cc1cccc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 920932882 JCARIVDTDVRQEK-DZGCQCFKSA-N 423.495 -0.276 50 20 HBGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)CN2CCCS2(=O)=O)CC1 1251914949 PFDONZDJENRYKO-UHFFFAOYSA-N 404.489 -0.184 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCOC1)CCO2 1779034154 OJRHLPXNIRGJQD-ORAYPTAESA-N 403.439 -0.835 50 20 HBGD C[C@](O)(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1)C(F)(F)F 1784085384 IFGVOXQSLFXBFH-JVWRJRKNSA-N 402.797 -0.121 50 20 HBGD Cn1ccnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1786164199 IQGLQMXCAOZOMS-XIRDDKMYSA-N 412.255 -0.993 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CNCP(=O)(O)O)C[C@@H]21)[C@H](F)Cl 1787445899 SLJLHXSMXJTEPP-GMOBBJLQSA-N 401.759 -0.775 50 20 HBGD C=CC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](Cl)COC)[C@H]2C1 1791255689 YLDPWXDGJCTTMI-LXFSFDBISA-N 401.891 -0.089 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncc(Cl)cn1 1794542783 YWHDCXLZTNIQJS-DRXBFXEBSA-N 424.889 -0.294 50 20 HBGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)n1cnnn1 1801439144 UORXOCUSKRMEEL-NGDQXYMTSA-N 401.265 -0.393 50 20 HBGD O=C(NC1CCN(C2CCN(C(=O)c3ccc(O)nn3)CC2)CC1)[C@@H](O)CCl 1833308618 XVVNULQWWGZDOJ-HNNXBMFYSA-N 411.890 -0.033 50 20 HBGD CCC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cnnn3)CCO2)C1 1836142299 XIQVJJYDYXHBCS-CJNGLKHVSA-N 400.867 -0.463 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@H]3F)C2)C1 1837460324 BICNYXJSUODIBF-RFUYNDQBSA-N 421.429 -0.887 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839144075 PNWLBBXEMSZXJZ-VQIMIIECSA-N 424.690 -0.546 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1839148970 PFHKYXWJCCYWOB-SCLBCKFNSA-N 413.858 -0.615 50 20 HBGD C[C@H](NC=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1839164297 ZTWKFRPMLGBVFR-WDMOLILDSA-N 410.240 -0.732 50 20 HBGD O=C(CNC(=O)C(F)(F)F)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1840202679 DYVIFKDUPLFGSK-GXFFZTMASA-N 419.759 -0.344 50 20 HBGD Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NNC(=O)CN3CCCC3=O)C2=O)cc1 726717382 TYENQHFHDOPUAO-IBGZPJMESA-N 401.423 -0.468 50 20 HBGD Cc1ccc(NCC(=O)NNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1 728203192 OGWRVJYMTPLSDH-UKRRQHHQSA-N 408.480 -0.410 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2 728509993 SXTKCTYUZAIMBS-MRVPVSSYSA-N 412.449 -0.347 50 20 HBGD COc1ccc(C(=O)NNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)c(OC)c1 729963164 CFANJAQQOZTYTG-UHFFFAOYSA-N 415.449 -0.026 50 20 HBGD O=C(CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)COc1ccccc1O 742654205 TYHLIHRFBZIOAE-KFZJALRRSA-N 403.391 -0.529 50 20 HBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)cn1C 745979225 VCXHVMPWPZDNTF-UHFFFAOYSA-N 400.438 -0.387 50 20 HBGD COc1cc(C(=O)NNC(=O)CNC(=O)c2cccs2)sc1S(N)(=O)=O 754200616 QIVKXWYIHDDWTL-UHFFFAOYSA-N 418.478 -0.343 50 20 HBGD C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 763852320 WNUOLXBZSNFPMN-NSHDSACASA-N 420.401 -0.336 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCc3cccnn3)nc2)CC1 775032630 ITBNJUKCOGVPPX-UHFFFAOYSA-N 406.472 -0.366 50 20 HBGD CCOC(=O)c1cnc(NNC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)nc1C 778421424 MQWXGDHYHDPNBG-UXOAXIEHSA-N 417.422 -0.043 50 20 HBGD C=CCS(=O)(=O)CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 783309097 PISIPEQSXVUUMP-UHFFFAOYSA-N 418.497 -0.518 50 20 HBGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)c(OC)c1 784001945 GRYHWCNOOHMMAH-UHFFFAOYSA-N 418.362 -0.409 50 20 HBGD COc1cc(F)cc(NNC(=O)C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)c1 785234220 JUWVEWNLYXRNMV-UHFFFAOYSA-N 421.433 -0.210 50 20 HBGD CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NNC(=O)N2CCN(C)CC2)cc1 788165419 BSUICEPPXUXTMB-UHFFFAOYSA-N 411.484 -0.454 50 20 HBGD CC(C)(C)OC(=O)N1CCN(CCC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)CC1 792026990 DUBZAIIYWGIAMF-ZDUSSCGKSA-N 418.516 -0.489 50 20 HBGD CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)NC1CC(NS(C)(=O)=O)C1 801068967 OZETYOHCBQDOIA-UHFFFAOYSA-N 407.493 -0.298 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 806787843 NLOATGMZUNUXST-LLVKDONJSA-N 411.459 -0.001 50 20 HBGD CN1CCN(C(=O)NNC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)CC1 807382401 BNNMEIPPTBWPSJ-UHFFFAOYSA-N 403.892 -0.003 50 20 HBGD COC(=O)c1ccc(C=NNC(=O)C(=O)NN=Cc2ccc(C(=O)OC)n2C)n1C 814692186 JTPWDINXDZZXOM-UHFFFAOYSA-N 416.394 -0.463 50 20 HBGD O=C(NNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)c1ccc(Cl)cc1O 918358971 FXNXUGXTWVSJLI-GXSJLCMTSA-N 415.855 -0.158 50 20 HBGD O=C(NNC(=O)c1n[nH]cc1I)N[C@@H]1CCS(=O)(=O)C1 1338133688 LUVHTJBWZUWSTL-RXMQYKEDSA-N 413.197 -0.855 50 20 HBGD CC(=O)N1CCN(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](F)Cl)CCO3)CC1 1778355652 PEBVMKCBABZNPE-NVXWUHKLSA-N 404.870 -0.485 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)CN3CCCC3)CCO2)C1 1779028299 CGXDVGRBPJBZLC-FQEVSTJZSA-N 416.482 -0.776 50 20 HBGD C[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CN3C(=O)CNC3=O)CCO2)C1 1783530175 UJOWEMRVPUJQBC-ZUZCIYMTSA-N 417.260 -0.849 50 20 HBGD CC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786979551 XFQQZQRBWDTCIK-SZMVWBNQSA-N 402.256 -0.671 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnoc3)[C@H]2C1 1787571962 GCKAZZXRIWGQEW-UVBJJODRSA-N 414.422 -0.420 50 20 HBGD Cc1nn(C)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)c1F 1794498174 QHKJHHYUQGZTHR-FVCICTRLSA-N 424.477 -0.556 50 20 HBGD CC(C)(C)OC(=O)N[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Cl 1796366879 JYFRXBGXHJRFNZ-UYNYGYNWSA-N 409.842 -0.047 50 20 HBGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnncc1C(=O)O)C2 1802337173 IOSCJSFPMFDEGO-CLLJXQQHSA-N 418.454 -0.200 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc[nH]n3)C2)C1 1840155517 DVBJTTCBQYFSCF-RHSMWYFYSA-N 400.863 -0.338 50 20 HBGD Cc1[nH]ccc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840184386 JGADNESOKHPZCU-HXUWFJFHSA-N 421.498 -0.234 50 20 HBGD CS(=O)(=O)c1ccc(C(=O)N2CC3(CCCN3C(=O)[C@H](O)CCl)C2)nc1 1841349967 ZXIPCMXZYWCZCS-CYBMUJFWSA-N 401.872 -0.098 50 20 HBGD COc1ccc(C(=O)NNC(=O)Cn2c(-c3cnccn3)noc2=O)cc1OC 726118934 IJUIRSXJOMCPPK-UHFFFAOYSA-N 400.351 -0.228 50 20 HBGD Cn1ccc(S(=O)(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n1 727351603 OLOUSCAFKPEOIA-UHFFFAOYSA-N 413.481 -0.172 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCN2C(=O)CCC2=O)c1 733848999 WTBZVMXCAONOPN-UHFFFAOYSA-N 411.440 -0.970 50 20 HBGD CS(=O)(=O)N1CCc2c(NC(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)cccc21 758297897 AXRBHEOVQOJYOO-SNVBAGLBSA-N 416.481 -0.404 50 20 HBGD CNC(=O)Cn1nc(NC(=O)C(=O)NNC(=O)COc2cccc(C)c2)cc1C 763624208 UKTXTLUAVJQFKW-UHFFFAOYSA-N 402.411 -0.589 50 20 HBGD CCCNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)c2c[nH]nc2C)c2ccccc2O1 764298579 XAOAUOXDQYVAAR-HNNXBMFYSA-N 414.422 -0.200 50 20 HBGD C[C@@H](C(=O)NNC(=O)CNC(=O)OC(C)(C)C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 778442267 UVGLZOHOXLQXGH-YQPPGCHHSA-N 410.427 -0.791 50 20 HBGD Cn1cnn(CC(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)c1=O 778903513 WSTBWDGUIKOHSD-UHFFFAOYSA-N 421.889 -0.800 50 20 HBGD CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NNC(=O)CNC(=O)c1cccs1 787856909 DANDHCVDXHLLPI-ZJUUUORDSA-N 413.456 -0.735 50 20 HBGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)NCCN1C(=O)CSC1=O 792874040 RQTUUGZBWBRQHZ-UHFFFAOYSA-N 409.424 -0.061 50 20 HBGD Cn1ncc(C=NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 814710820 SMIHMBMBZAOUNV-UHFFFAOYSA-N 406.468 -0.081 50 20 HBGD N#Cc1ccc(OCC(=O)NNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1 914878784 AJWAKYCHNYCKGW-KBPBESRZSA-N 420.447 -0.880 50 20 HBGD O=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)NNC(=O)c1ccc[nH]1 916516641 MMSMSLKIACNWQT-UHFFFAOYSA-N 421.483 -0.494 50 20 HBGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)CN1CCCS1(=O)=O 919360608 DVYHGJQCOXIJOK-UHFFFAOYSA-N 419.843 -0.312 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)CN3CCN(C)CC3)C2)C1 1778264254 SZHIEFHULCGJPJ-QAPCUYQASA-N 402.923 -0.683 50 20 HBGD O=C(CN1C(=O)CNC1=O)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781325239 AVROFBATXHRACD-FZMZJTMJSA-N 421.223 -0.941 50 20 HBGD CC(C)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@H]3NC(=O)NC3=O)[C@H]2C1 1785149086 FXWPJHUBNJMABB-CYDGBPFRSA-N 414.890 -0.171 50 20 HBGD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)no1 1791288575 GLKAXFUAQNILQG-DZKIICNBSA-N 407.471 -0.051 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2)[C@H](O)CCl 1792984241 ZVUZIWJUJBWMGK-BSTOTGJRSA-N 421.928 -0.964 50 20 HBGD O=C(CC1CCOCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1795455113 JJWCXGAZIJIRKL-XEMDLRDOSA-N 416.283 -0.614 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc2ncccn12)c1cccc(B(O)O)c1 1797554377 DHLKLBHWPMWRDN-BJWYYQGGSA-N 419.250 -0.025 50 20 HBGD O=C1C[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](F)Br)CCN1 1799351869 DBAAEDYCBFEABH-QTCIEIIFSA-N 406.252 -0.207 50 20 HBGD CCN1CCC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)CC1 1802173702 GSEIJOVBRDAGCR-XEMDLRDOSA-N 423.558 -0.319 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)COCCO)sc2C1 1822994854 SRSWRZFOXNMBEK-NSHDSACASA-N 413.500 -0.563 50 20 HBGD O=C([C@H](O)CCl)N1CCOC[C@@]2(C1)CN(C(=O)C(F)(F)C(F)F)CCO2 1832183179 LBLQHZUUVLIMQG-NOZJJQNGSA-N 406.760 -0.057 50 20 HBGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCO2 1837520529 BJVRRHGQPOWLBI-LESCRADOSA-N 419.906 -0.889 50 20 HBGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1840036630 POULPPOOECDKMK-IAQYHMDHSA-N 403.229 -0.686 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccn(C)n3)C2)C1 1840152114 XQAFTXUGEUXVOL-YJBOKZPZSA-N 414.890 -0.327 50 20 HBGD COC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1840321862 QJMBOIWPERTEQC-ABAIWWIYSA-N 422.276 -0.418 50 20 HBGD C[C@H](CBr)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(N)=O)CCO2)C1 1840918437 XAASSBLLAJEXSD-ABAIWWIYSA-N 421.292 -0.858 50 20 HBGD CCc1[nH]nc(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)c1F 1843013405 FSYPLUZOZNYYBV-UHFFFAOYSA-N 400.219 -0.078 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2ccc(Cl)nn2)C1 1844426380 FDZNLMAXTGCPBR-UHFFFAOYSA-N 400.631 -0.059 50 20 HBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cccc(S(=O)(=O)N2CCCC2)c1 16786095 MFBPVJDULHBCHX-ZDUSSCGKSA-N 415.493 -0.333 50 20 HBGD CCN1CCN(CC(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)C(=O)C1=O 728210170 WRCGBKMVKHWLHV-UHFFFAOYSA-N 409.468 -0.739 50 20 HBGD CNC(=O)C1(C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)CCC1 735117320 QRGOMOPAEKAXLZ-UHFFFAOYSA-N 410.500 -0.623 50 20 HBGD Cn1nc(SCC(=O)NNC(=S)Nc2ccc3c(c2)OCO3)c(=O)n(C)c1=O 735235774 NFHYFHKHURHORB-UHFFFAOYSA-N 424.464 -0.682 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cncc(I)c1 758028161 ZFGKROMKKHLFQY-LURJTMIESA-N 412.209 -0.615 50 20 HBGD Cc1cc(NC(=O)C(=O)NNC(=O)COc2ccccc2O)ccc1-n1cnnn1 764279961 JDEAZVQEERHEFB-UHFFFAOYSA-N 411.378 -0.159 50 20 HBGD CCCn1nc(C(=O)NNC(=O)C2=NN(CCO)C(=O)CC2)c2ccccc2c1=O 765469560 PDBQKNDCPFXOGE-UHFFFAOYSA-N 414.422 -0.462 50 20 HBGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)[C@H](C)CS(C)(=O)=O)CC2)cc1 765748727 FZRUGFDIQZBBNK-MRXNPFEDSA-N 410.540 -0.059 50 20 HBGD O=C(CN1C(=O)COc2ccc(Cl)cc21)NNC(=O)[C@H]1CCS(=O)(=O)C1 818028345 HSMSCEQGZAVQHD-VIFPVBQESA-N 401.828 -0.353 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NNC(=O)[C@@H]3CCC(=O)N3)C2)cc1 913484543 WCPCVFXNHRNCIU-ZFWWWQNUSA-N 408.480 -0.178 50 20 HBGD Cn1nc(C(=O)NNC(=O)c2cc(S(N)(=O)=O)ccc2F)c2ccccc2c1=O 913572988 CJVGIXMPLNMSMG-UHFFFAOYSA-N 419.394 -0.205 50 20 HBGD CS(=O)(=O)N1CC[C@@H](CNC(=O)NNC(=O)CNC(=O)c2cccs2)C1 1341060689 LQIDXOABKOVZJE-JTQLQIEISA-N 403.486 -0.910 50 20 HBGD O=C(Cc1ccc2ncnn2c1)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1780947546 QDLGKODTEKNNHK-KDOFPFPSSA-N 407.858 -0.299 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCC3)CCO2 1783934500 HOFIEYOTVLYKAW-HXUWFJFHSA-N 418.498 -0.354 50 20 HBGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@H](N)C(N)=O)C[C@@H]21 1791057325 BBNHRPRNBWWQMR-VLJOUNFMSA-N 419.320 -0.658 50 20 HBGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCNC3=N)C[C@@H]21 1791251936 ZNFAFMDAJKRNJW-XUXIUFHCSA-N 401.895 -0.940 50 20 HBGD CSCC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795737827 XSOPGVHNMGMANJ-SCAQPMJSSA-N 420.340 -0.041 50 20 HBGD CN1N=C(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](F)Br)CCC1=O 1799344652 PREFYEYLWRUMTN-FQPOAREZSA-N 419.251 -0.125 50 20 HBGD O=C(c1cc(=O)n2[nH]cnc2n1)N1CCCC2(CCN(C(=O)[C@H](O)CCl)CC2)C1 1809963389 NEAXVIIBIFXNJX-CYBMUJFWSA-N 422.873 -0.138 50 20 HBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)COCCO)[nH]n1)c1ccc(B(O)O)cc1 1817472378 GICSKBFNPVBCHZ-INIZCTEOSA-N 416.243 -0.596 50 20 HBGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CNC(=O)C2)[nH]n1 1822416834 QPYANQCIASYAMD-OCCSQVGLSA-N 419.486 -0.089 50 20 HBGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1)N1C[C@@H]2C[C@H]2C1 1830731264 JETFAENYJBWKTM-LAIHZFQQSA-N 415.918 -0.617 50 20 HBGD O=C(COc1cccnc1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1832668344 OFEXWWFIHCRWLH-CRAIPNDOSA-N 413.858 -0.484 50 20 HBGD C[C@@H](NC=O)C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834823976 PAPSYJBSWRSCQD-DOMZBBRYSA-N 406.277 -0.638 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CC(N)=O)C2)C1 1840150646 ODJMMQFTIYAQAK-IIYDPXPESA-N 405.879 -0.792 50 20 HBGD O=C(CCN1CCOCC1)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840188213 XHYHSNYWABSFSM-KRWDZBQOSA-N 424.325 -0.031 50 20 HBGD Cc1nc(S(=O)(=O)NCCC(=O)NNC(=O)COc2ccc(F)cc2)cn1C 726767227 JOIIGYARCDAYCO-UHFFFAOYSA-N 413.431 -0.238 50 20 HBGD Cn1nc(Br)c2c(=O)n(CC(=O)NNC(=O)Cc3cccnc3)cnc21 728850593 WIWGRKLPFCLDDV-UHFFFAOYSA-N 420.227 -0.322 50 20 HBGD CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2cccn2C)s1 746102971 BZJAIBLYOMUMNG-UHFFFAOYSA-N 413.481 -0.538 50 20 HBGD O=C(CCN1C(=O)NC2(CCCC2)C1=O)NNC(=O)CNC(=O)c1cccs1 751208598 GKXCKNKSFIWHTD-UHFFFAOYSA-N 407.452 -0.120 50 20 HBGD Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 753279926 PGSYQGFVLOJPNH-UHFFFAOYSA-N 419.423 -0.111 50 20 HBGD CNC(=O)Cn1ccc2ccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc21 756758016 FYLKUYWMLIWUFJ-JTQLQIEISA-N 410.456 -0.522 50 20 HBGD CCNC(=O)N(C)NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc(C)c(C)c1 760497333 VCGORRWYWDKSDU-AWEZNQCLSA-N 413.500 -0.092 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1OC(F)F 764227681 PWGQFHGWOCAJQT-QMMMGPOBSA-N 408.383 -0.380 50 20 HBGD COCc1ccc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 765727615 LECQAYSNUHOAOY-UHFFFAOYSA-N 400.395 -0.959 50 20 HBGD COCCN1C(=O)c2ccc(C(=O)NNC(=O)c3cc(C)[nH]n3)cc2S1(=O)=O 768278474 NKWQRQKVKUZVOO-UHFFFAOYSA-N 407.408 -0.416 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)NC[C@H](N1CCOCC1)C(F)(F)F 805043365 ITFUFSZEQIYRPR-NSHDSACASA-N 407.349 -0.397 50 20 HBGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 810389599 JAYRVIRJZSVIAR-SNVBAGLBSA-N 417.172 -0.141 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)cc1C 913055353 UPPZNNDWOQDVLL-UHFFFAOYSA-N 424.417 -0.351 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CC3(F)F)C2)C1 1778147811 GWMHMQCHXATVFU-CXAGYDPISA-N 409.393 -0.216 50 20 HBGD CO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779376091 WYFROMAYMDKUJV-GQWAEJPESA-N 419.482 -0.153 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nccnc3C(N)=O)C2)C1 1779880091 ZDLARUNJLJBMIT-PIGZYNQJSA-N 411.846 -0.727 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3nc4ncccn4n3)CCO2)C1 1783874553 IPFPZQMNSWCQOC-SJCJKPOMSA-N 408.846 -0.178 50 20 HBGD CO/C=C(\C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786979678 KOOQRFPVLRSUJC-LTAJHLDZSA-N 402.256 -0.490 50 20 HBGD CC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H]3NC(=O)NC3=O)C[C@@H]21 1789858851 RKLPAVLPCAUTPD-NWBUJAPZSA-N 400.863 -0.418 50 20 HBGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@H](N)C(N)=O)C[C@@H]21 1791057318 BBNHRPRNBWWQMR-MOLYVOAJSA-N 419.320 -0.658 50 20 HBGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)CN3)C[C@@H]21 1791061593 YDFBVPFEVRVVFT-ORWNZLQRSA-N 404.305 -0.528 50 20 HBGD CCC[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 1793445622 OONVXKGYZXKMQK-CYRBOEJBSA-N 400.863 -0.418 50 20 HBGD CN1C(=O)CC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCBr 1795115310 XDZGZRMVSCCHGH-OXIQGZBJSA-N 402.289 -0.018 50 20 HBGD O=C(Cc1cccnc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1795865799 KWOZBQCHEINXAK-XEMDLRDOSA-N 409.251 -0.793 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1cn2ncccc2n1 1796189056 QRLFEMURYGEMTG-BJWYYQGGSA-N 419.250 -0.025 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCCC2(CCN(C(=O)C3CC(O)C3)CC2)C1 1809967230 BEBNCDDMDMKRTM-UHFFFAOYSA-N 400.284 -0.018 50 20 HBGD O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1812878006 CKPGCFCYYODJBI-OXQOHEQNSA-N 421.218 -0.831 50 20 HBGD O=C(N[C@@H]1CCc2nc(NC(=O)[C@@H]3C=CCN3)sc2C1)c1ccc(B(O)O)cc1 1817000436 YQOJDKSIKSHGKV-HIFRSBDPSA-N 412.280 -0.423 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)CCC(N)=O)C2)C1 1839143580 AXNYNCDTWZXDRJ-IGCXYCKISA-N 404.895 -0.947 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)n3)C2)C1 1839145114 VFDSHWCVBFYSQZ-APPDUMDISA-N 414.846 -0.025 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccnc3C)C2)C1 1840155503 DPQREHMEZFEQDI-CRAIPNDOSA-N 414.890 -0.098 50 20 HBGD C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841347909 CVHUSLKBJMXPGK-KBMXLJTQSA-N 423.897 -0.031 50 20 HBGD C[C@](O)(C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(B(O)O)cc1)C(F)(F)F 1847988732 DHXIPXRJKOMPIM-XEZPLFJOSA-N 400.162 -0.505 50 20 HBGD CCOc1cnc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2ccc(B(O)O)cc2)cn1 1848334747 GEQXHZKQRGCUQO-IRXDYDNUSA-N 410.239 -0.316 50 20 HBGD O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)NNC(=O)C1CCN(c2ncccn2)CC1 728845003 DZZQQMDBPGVHBY-OTRWWLKZSA-N 424.461 -0.353 50 20 HBGD CC(C)(CNC(=O)NNC(=O)COc1ccccc1[N+](=O)[O-])NS(C)(=O)=O 731761713 ZUFHNPMHFFNRRO-UHFFFAOYSA-N 403.417 -0.368 50 20 HBGD O=C(CCNS(=O)(=O)c1cccc(Cl)c1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 732307460 FNSBIHYKNCCKEP-SNVBAGLBSA-N 423.900 -0.410 50 20 HBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)COC[C@H]2CCCO2)CC1 735117140 BUKDQIRIHFNKMA-CQSZACIVSA-N 413.500 -0.344 50 20 HBGD Cc1cc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)nc2c1c(=O)n(C)c(=O)n2C 737767404 YIKKNNXFZRPWFA-UHFFFAOYSA-N 411.374 -0.256 50 20 HBGD C[C@@H]1C[C@@H](NC(=O)NNC(=O)CNC(=O)c2ccco2)C(=O)N1c1cnn(C)c1 743578606 XPCAETUDCBTMHM-ZYHUDNBSSA-N 403.399 -0.733 50 20 HBGD COc1ccc(C(=O)NNC(=O)CCc2nc3c(O)nc(=O)n(C)c3[nH]2)cc1OC 746231194 HGCQIMPLIBIMAU-UHFFFAOYSA-N 416.394 -0.227 50 20 HBGD Cc1c(C(=O)NNc2nc3ccccc3c(=O)n2C)cnc2c1c(=O)n(C)c(=O)n2C 747886304 QPOYZKWXCPUENY-UHFFFAOYSA-N 421.417 -0.056 50 20 HBGD COC(=O)Cn1cc(S(=O)(=O)NNC(=O)CSc2ccccc2O)cn1 763408093 BRFFSHULTSZOTF-UHFFFAOYSA-N 400.438 -0.137 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(SC(F)F)nc1 764230735 KNTSDZTVTIMWKT-LURJTMIESA-N 411.412 -0.580 50 20 HBGD CCn1cc(S(=O)(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cn1 765117229 DCVYXMUNFQZBOA-UHFFFAOYSA-N 420.495 -0.330 50 20 HBGD CCC(CC)NC(=O)C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 765639390 ZMANVZPQUMOJAJ-NSHDSACASA-N 409.468 -0.323 50 20 HBGD CO[C@@H](C)CC(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 766637078 WOULXOYRUINSKE-HNNXBMFYSA-N 412.512 -0.126 50 20 HBGD C=CCN1C(=O)C(=O)N(CC(=O)NNc2c(OC)cccc2S(C)(=O)=O)C1=O 768612539 OIJYMSWDTCIWDT-UHFFFAOYSA-N 410.408 -0.481 50 20 HBGD CC(=O)NCCNC(=O)CCC(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1 772885093 VHNRQGZVFZMCCE-UHFFFAOYSA-N 411.846 -0.864 50 20 HBGD CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)NNC(=O)NCC(=O)OC)ccc2O1 779846669 NHRIHUVEJZPCFE-LBPRGKRZSA-N 401.397 -0.781 50 20 HBGD Cc1c(C(=O)NNC(=O)N2CCN(C)CC2)nnn1-c1ccc2c(c1)OCCO2 788167200 YEJRUHGATOQHOR-UHFFFAOYSA-N 401.427 -0.051 50 20 HBGD CC(C)c1scnc1NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 808915303 JFEZLUPTTXUJMZ-UHFFFAOYSA-N 420.455 -0.134 50 20 HBGD CCCn1nc(C(=O)NNC(=O)CCN2CCCS2(=O)=O)c2ccccc2c1=O 918201182 GMHGSOXMQCMVKL-UHFFFAOYSA-N 421.479 -0.007 50 20 HBGD O=C(Cc1ccc2ncnn2c1)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1780947549 QDLGKODTEKNNHK-RDTXWAMCSA-N 407.858 -0.299 50 20 HBGD CCS(=O)(=O)CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781326653 ZRNKGIWHFQBQLU-YPMHNXCESA-N 415.281 -0.059 50 20 HBGD CC(=O)C[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1783826015 WFBLBKAUKRYGDV-VLIAUNLRSA-N 402.256 -0.575 50 20 HBGD CC[C@H](C)[C@@H](N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797750495 IDRRAEAIHIRTRM-HNKZQRQQSA-N 418.498 -0.738 50 20 HBGD O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1797810236 MIFGLJIWWUWCEE-XGPCKQHYSA-N 403.863 -0.295 50 20 HBGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)C1CC(O)C1 1803044178 SFBLVOOCHYWMRY-OYGLOCFBSA-N 423.278 -0.148 50 20 HBGD CNC(=O)CC(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1803476552 NKSVQHGAUMUSNG-OXJNMPFZSA-N 424.266 -0.783 50 20 HBGD O=C(C[C@@H]1NC(=O)NC1=O)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1 1804341227 IMGYTIIWUFLCKR-PWNZVWSESA-N 423.857 -0.715 50 20 HBGD CC(=O)NCC(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1812617100 LEFRIVPCXBQUID-XLIONFOSSA-N 424.266 -0.783 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)C(=O)N(C)C)sc2C1 1814633728 QZLVRRFEEUSRGC-SNVBAGLBSA-N 410.500 -0.484 50 20 HBGD CN1CCCC[C@@H]1C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1 1830720014 QRNSIUUWULGPKE-RVKKMQEKSA-N 403.907 -0.473 50 20 HBGD CCc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)n[nH]1 1830722456 BWZDPODWVQRWIV-RHSMWYFYSA-N 400.863 -0.358 50 20 HBGD O=C(c1ccn(C(F)F)n1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830732782 VUSHUUZSGOCIGY-LRDDRELGSA-N 422.816 -0.052 50 20 HBGD O=C(C1=CCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835929463 PULYPOCFNFEWDQ-OAQYLSRUSA-N 414.267 -0.453 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCN(C)CC3)CCO2)C1 1836675737 GKDUUJOYUUHGDZ-VQIMIIECSA-N 416.950 -0.292 50 20 HBGD COC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1837731351 VZRASQKAYHIJSK-HEHGZKQESA-N 409.842 -0.872 50 20 HBGD O=C(COc1ccc(O)cc1)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(B(O)O)cc1 1847434493 PZDUNCSUBCIAAW-OALUTQOASA-N 410.235 -0.034 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CNC(=O)c1cccnc1 1848139401 ZVQZHCKPFXSQGX-HOTGVXAUSA-N 416.482 -0.614 50 20 HBGD Cn1c(=O)c2cc(C(=O)NNC(=O)c3cc(Br)c[nH]3)cnc2n(C)c1=O 29353158 BKNXSRBHUFYSGX-UHFFFAOYSA-N 421.211 -0.202 50 20 HBGD CCn1c(=O)c(=O)[nH]c2cc(C(=O)NNC(=O)CNC(=O)c3cccs3)ccc21 725740069 AURBNZQSJZQNOL-UHFFFAOYSA-N 415.431 -0.038 50 20 HBGD NC(=O)[C@@H]1CCCN(CCCNC(=O)NNC(=O)[C@H]2COc3ccccc3O2)C1 729506164 NULJQZWTKULKEZ-CZUORRHYSA-N 405.455 -0.256 50 20 HBGD O=C(NCCS(=O)(=O)N1CCSCC1)NNC(=O)c1ccc([N+](=O)[O-])cc1 730673621 ZLGFRLXWRUGIOS-UHFFFAOYSA-N 417.469 -0.083 50 20 HBGD COc1ccccc1C(=O)NNS(=O)(=O)c1cnc2c(c1)c(O)nc(=O)n2C 731494478 XMIPOQFIRJPKEH-UHFFFAOYSA-N 405.392 -0.334 50 20 HBGD C[C@@]1(C2CC2)NC(=O)N(CC(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)C1=O 744497091 KJQNMYRBLKNFHR-IBGZPJMESA-N 413.390 -0.417 50 20 HBGD NC(=O)c1ncn2c(C(=O)NNC(=O)[C@@H]3COCCO3)cc(-c3ccco3)nc12 744647661 VYACMLYKVSJGGZ-LBPRGKRZSA-N 400.351 -0.735 50 20 HBGD O=C(NNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])N[C@H]1CCS(=O)(=O)C1 751270036 FZCIRRIPJWDBEQ-QMMMGPOBSA-N 412.833 -0.072 50 20 HBGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1cc(N2CCNC2=O)ccc1F 764344260 WJDBKDLIBITGKZ-UHFFFAOYSA-N 400.370 -0.059 50 20 HBGD CCCn1nc(C(=O)NNC(=O)CCS(=O)(=O)N(C)C)c2ccccc2c1=O 765466926 BJLIGISMZZZQTO-UHFFFAOYSA-N 409.468 -0.151 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CCc2ccc(Cl)cc2)n(C)c1=O 765732464 VFQKSPNVAWXMBH-UHFFFAOYSA-N 418.841 -0.133 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)C3(O)CCCC3)CC2)cc1 766635710 DITFROPWBVOINT-UHFFFAOYSA-N 424.523 -0.246 50 20 HBGD Cn1nc(C(=O)NNC(=O)c2ccc(S(N)(=O)=O)cn2)c2ccccc2c1=O 770550711 PETCEWKTKZUDDM-UHFFFAOYSA-N 402.392 -0.949 50 20 HBGD CCOc1ccccc1OCC(=O)NNC(=O)NCC1CN(S(C)(=O)=O)C1 779696148 CWKXJZJCUYXHEB-UHFFFAOYSA-N 400.457 -0.314 50 20 HBGD NC(=O)c1cnn2c(C(=O)NNC(=O)CNC(=O)OCc3ccccc3)ccnc12 794060350 GLJQJTYTJSABAZ-UHFFFAOYSA-N 411.378 -0.484 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C[C@H]1COCCN1C(=O)OC(C)(C)C 806787572 JTVBORXQGZNMML-QWRGUYRKSA-N 408.477 -0.903 50 20 HBGD CC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)Cn2nc(C)cc2C)cc1 913025904 SWQKGFIUULXLMF-UHFFFAOYSA-N 407.452 -0.172 50 20 HBGD CCn1c(=O)c(=O)[nH]c2cc(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)ccc21 913156039 QNRFQBPQZUSMBK-UHFFFAOYSA-N 420.389 -0.240 50 20 HBGD Cc1csc(CC(=O)NNC(=O)CN2CCN(C(=O)c3cccn3C)CC2)n1 917126635 KXWGODBKNZTFAF-UHFFFAOYSA-N 404.496 -0.062 50 20 HBGD O=C(NNC(=O)C1=NN(Cc2ccccc2)C(=O)CC1)N[C@@H]1CCS(=O)(=O)C1 919886860 VWRUWLHQBCVLII-CYBMUJFWSA-N 407.452 -0.318 50 20 HBGD CN1CCC(N2CCC(NC(=O)NNC(=O)CNC(=O)c3ccco3)CC2)CC1 1318153684 QSBZUWCAFBYHFT-UHFFFAOYSA-N 406.487 -0.102 50 20 HBGD CC(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1 1325692008 PFWBADRGAKNQAI-LBPRGKRZSA-N 403.482 0.000 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1 1778131852 STSVAFPBCPNNSF-QIESJLATSA-N 417.466 -0.279 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2=NNC(=O)C2)C1 1779312695 RRWYOHDCZKKRLC-CJBNDPTMSA-N 400.863 -0.370 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781333645 IMBUBNFACZBVBB-HIFRSBDPSA-N 423.283 -0.120 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnnn1C)C2 1782209458 QOIBMHIJRMEEIO-DNVCBOLYSA-N 421.502 -0.684 50 20 HBGD CN(CC(=O)N1CC[C@]2(CN(C(=O)CCBr)CCO2)C1)C(=O)C(=O)O 1782748154 UQODXCAJVOIWIB-OAHLLOKOSA-N 420.260 -0.856 50 20 HBGD CCNC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](Cl)COC)C[C@@H]21 1788565726 MVPBTYBVUAGKRS-YTFOTSKYSA-N 418.922 -0.073 50 20 HBGD C[C@H](NC(=O)c1ccccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792984387 ZOZJWTKVKAOKLX-CNBXADPUSA-N 424.885 -0.611 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccnc1C(N)=O 1794562719 KZWLPRFZAQBECY-BTTYYORXSA-N 416.482 -0.195 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)c1cccn2c(O)nnc12 1796286023 NWNHZUICXIYSJG-LYIQGSDWSA-N 409.830 -0.762 50 20 HBGD Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)c(O)n1 1801011832 JJBRNYYOXFUFDS-ZSBFGKGUSA-N 419.482 -0.328 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCCC2(CCN(C(=O)c3c[nH]c(=O)cn3)CC2)C1 1809971001 GZFYNOUOSMIWQU-UHFFFAOYSA-N 424.266 -0.392 50 20 HBGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1C[C@@H](O)C1)CC2)c1ccc(B(O)O)cc1 1815344373 WAHUTEPIRHYWMX-FPMFFAJLSA-N 415.280 -0.180 50 20 HBGD COC[C@H](Cl)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CC[C@@H](N)C(N)=O)CC2 1825999280 PRBGRPBRTDCHRM-KXUCPTDWSA-N 417.919 -0.098 50 20 HBGD O=C([C@H](O)CCl)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)c3ccccc3)C2)C1 1830722582 DQUQMRJFLANYIE-MDZRGWNJSA-N 412.870 -0.224 50 20 HBGD C[C@H](CBr)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NC=O)CCO2 1839159079 OOTSUQDVCIHFRM-XJKCOSOUSA-N 420.304 -0.392 50 20 HBGD Cc1n[nH]c(C)c1CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839238400 LFYKMWBZLJTCSO-YJBOKZPZSA-N 414.890 -0.375 50 20 HBGD C[C@@H](C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1)N1C[C@H]2C[C@H]2C1 1844264311 FNBBMDKIBMFUKV-SOUVJXGZSA-N 412.494 -0.158 50 20 HBGD COc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)C(=O)NC3CC3)CC2)cc1 9889341 WNJKDYRFOFLFJA-UHFFFAOYSA-N 424.479 -0.478 50 20 HBGD COc1cc(Cl)ccc1C(=O)NNC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 24627346 ROAPYQWSRVJZAN-UHFFFAOYSA-N 420.813 -0.443 50 20 HBGD CS(=O)(=O)N1CCC(CNC(=O)NNC(=O)CNC(=O)c2cccs2)CC1 726252004 YMSVBFIHBJMJPH-UHFFFAOYSA-N 417.513 -0.520 50 20 HBGD O=C(NNC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1)[C@@H]1COc2ccccc2O1 727752957 NRYRMPHMGMYVBS-DZGCQCFKSA-N 404.404 -0.296 50 20 HBGD Cc1csc([C@@](O)(CC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)C(F)(F)F)n1 729276905 NZRYUBMTFDIIRA-CPCISQLKSA-N 418.419 -0.323 50 20 HBGD O=C(COc1ccccc1O)NNC(=O)Cn1cc(Br)c(O)nc1=O 730778584 QUZPODJPEZWBMD-UHFFFAOYSA-N 413.184 -0.357 50 20 HBGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)CS[C@@H]1CCS(=O)(=O)C1 734240738 SJTHKESEKYIVON-SNVBAGLBSA-N 410.518 -0.238 50 20 HBGD O=C(NNC(=O)c1sccc1S(=O)(=O)N1CCCC1)C(=O)N1CCCC1 748247854 WELZKUCTDJFANH-UHFFFAOYSA-N 400.482 -0.084 50 20 HBGD CCCC[C@H](ON=C(C)C)C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 758359575 CIFKIQFJNSGTDD-LBPRGKRZSA-N 421.458 -0.448 50 20 HBGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1nn(-c2ccc(F)cc2)ccc1=O 763824351 HXHBRJRKCNQDRO-UHFFFAOYSA-N 410.365 -0.042 50 20 HBGD CC(C)n1nnnc1-c1ccccc1NC(=O)C(=O)NNC(=O)[C@@H]1COCCO1 764434671 RDUOIHKBIDPGEN-ZDUSSCGKSA-N 403.399 -0.578 50 20 HBGD COc1nccnc1NNC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 764481467 LIBQGFICHJWCNI-UHFFFAOYSA-N 408.440 -0.391 50 20 HBGD Cn1nc(SCC(=O)NN=C2CCN(c3nccs3)CC2)c(=O)n(C)c1=O 764676202 PDLZYGPXQXEYQI-UHFFFAOYSA-N 409.497 -0.200 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Cc2ccc3c(c2)CCC3)n(C)c1=O 765730912 POUKUYWRFBHQJF-UHFFFAOYSA-N 410.434 -0.688 50 20 HBGD COc1ccc(C(=O)NNC(=O)CSc2nnnn2CCN(C)C)cc1OC 768296402 PMTDCGKADWQSLA-UHFFFAOYSA-N 409.472 -0.195 50 20 HBGD O=C(NNC(=O)c1cnc2n(c1=O)CCS2)c1csc(N2CCOCC2)n1 768995097 XIJJFAATVRFMBU-UHFFFAOYSA-N 408.465 -0.283 50 20 HBGD CCOC(=O)c1cnc(NNC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)nc1C 778421423 MQWXGDHYHDPNBG-QHSBEEBCSA-N 417.422 -0.043 50 20 HBGD CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NNC(=O)c1ccc2c(c1)OCCO2 787881861 NTMFOKRAYFJENU-QWRGUYRKSA-N 408.411 -0.142 50 20 HBGD Cn1cc(S(N)(=O)=O)cc1C(=O)OCC(=O)NNC(=O)c1cccc(Cl)c1 792704967 XHGBARMXMMLZOJ-UHFFFAOYSA-N 414.827 -0.056 50 20 HBGD COc1nn(C)cc1NC(=O)C(=O)NNC(=O)CNC(=O)OCc1ccccc1 797369128 QWPKJPOTRAMNLJ-UHFFFAOYSA-N 404.383 -0.559 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)c3ccc(O)nc3)C2)C1 1780254262 MVFZTOULKMMKEW-HXUWFJFHSA-N 411.223 -0.776 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c(O)cc(O)cc3O)C[C@@H]21)[C@H](O)CCl 1784091903 CEUQEGFWFYMJRP-NDMCHQMPSA-N 414.842 -0.004 50 20 HBGD CC[C@@H](C)[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1784545924 RMGRQHGGBLMEQP-ZAMIHWKFSA-N 418.299 -0.633 50 20 HBGD CN1CCC[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1784827370 HHQSDSVDGXGTOX-WNHJNPCNSA-N 415.299 -0.946 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)CN3)C[C@@H]21)[C@@H](F)Br 1789923443 MVEQEVQNCVIEDF-RHIYVLOFSA-N 408.268 -0.621 50 20 HBGD C[C@]1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)CC1(F)F 1795740784 GPNHXNRPDYHVNJ-ZFHGCVPZSA-N 408.210 -0.385 50 20 HBGD CN1CC(C(=O)N2CC[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)C1 1807373719 FALCMBOINMOROW-FXAWDEMLSA-N 422.294 -0.357 50 20 HBGD NC(=O)CCC(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809980188 KNFOBSZEGAZJMC-UHFFFAOYSA-N 401.272 -0.523 50 20 HBGD Cn1nncc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1816034217 SYOVNSGLGXSFJG-OAHLLOKOSA-N 423.242 -0.162 50 20 HBGD CC(=O)NCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1831687181 KVLWNPSIEIPBCJ-KBXCAEBGSA-N 419.906 -0.795 50 20 HBGD Cc1c(/C=C(/C#N)C(=O)N[C@H](C)C(=O)N2CCS(=O)(=O)CC2)cc(C#N)n1C 731476448 CPXFEWNZPANCOI-PWDRSIHYSA-N 403.464 -0.126 50 20 HBGD Cc1csc(CC(=O)NNC(=O)COC(=O)CS(=O)(=O)NC(C)(C)C)n1 731730934 VUWKGYXPLAYESU-UHFFFAOYSA-N 406.486 -0.597 50 20 HBGD O=C(COCc1ccccc1)NNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 737926319 FBAAFIVQPHMSOJ-GJZGRUSLSA-N 409.464 -0.614 50 20 HBGD CS(=O)(=O)c1ccccc1-n1cc(NC(=O)NNC(=O)[C@@H]2COCCO2)cn1 756705478 KHFJHOLYWHSVGZ-ZDUSSCGKSA-N 409.424 -0.156 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CNC(=O)c1cc(-c2ccccc2)on1 758039484 KZNQGAIRTODVAJ-JTQLQIEISA-N 409.424 -0.844 50 20 HBGD CN(CC(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1)c1ncnc2[nH]cnc12 772892837 UJCUKUQJBPOCRQ-UHFFFAOYSA-N 416.829 -0.094 50 20 HBGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1ccnn1Cc1ccccc1F 783999275 LFWBSMFUBVOEGL-UHFFFAOYSA-N 402.386 -0.221 50 20 HBGD COC(=O)Cc1ccccc1NC(=O)C(=O)NNC(=O)CNC(=O)c1cccs1 784005120 PLWLQISSWSITHF-UHFFFAOYSA-N 418.431 -0.021 50 20 HBGD Cn1nc(SCC(=O)NN=C2CCOc3ccc([N+](=O)[O-])cc32)c(=O)n(C)c1=O 788420994 CSCYHMBBNWDCGL-UHFFFAOYSA-N 420.407 -0.218 50 20 HBGD C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NNC(=O)CN1CCCC1=O)C2=O 789856402 GCHFBHNTGVQMPP-BLVKFPJESA-N 407.471 -0.107 50 20 HBGD Cc1noc(C)c1S(=O)(=O)NCC(=O)NNC(=O)CCNC(=O)OC(C)(C)C 810970824 PJMRCXFZIPWQIB-UHFFFAOYSA-N 419.460 -0.368 50 20 HBGD CCC1(CC)NC(=O)N(CC(=O)NNC(=O)c2csc(N3CCOCC3)n2)C1=O 912852240 WLHLBXGQGVVKFO-UHFFFAOYSA-N 424.483 -0.149 50 20 HBGD CC(C)[C@H](C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)N1C(=O)c2ccccc2C1=O 920433442 UHLIJZWKURDRDK-SMDDNHRTSA-N 407.448 -0.111 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C2CCS(=O)(=O)CC2)cc1 1318448078 HSSCBCNNTPKYOM-UHFFFAOYSA-N 417.509 -0.412 50 20 HBGD CC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779030625 DPCOFMUBDWWJAF-LJQANCHMSA-N 403.439 -0.502 50 20 HBGD CC[C@H](C)[C@H](N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779030705 GPLCNZPRJYZDOH-ZSOFBXJNSA-N 418.498 -0.498 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)C3CCSCC3)C2)C1 1785635914 RPGYLFNEBWGZSO-HXUWFJFHSA-N 418.324 -0.047 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCCS3(=O)=O)[C@H]2C1 1790748720 AHXRFFOPSMDTAH-RMEBNNNOSA-N 422.931 -0.203 50 20 HBGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)CS(C)(=O)=O)C[C@@H]21 1791249703 OSLCKHPATHLBJW-YTFOTSKYSA-N 424.947 -0.099 50 20 HBGD C[C@H](CS(C)(=O)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCC(=O)NN(C)C)C2 1793599529 ULYOZPYUNLLJIE-APIJFGDWSA-N 416.544 -0.322 50 20 HBGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@H](N)C(N)=O 1795638242 YLALZNCKAMQNEV-GHMOJZLGSA-N 419.320 -0.658 50 20 HBGD Cc1nc(N)sc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1795669321 XAXHRCRSFNNMOC-JJLQDPRZSA-N 424.527 -0.390 50 20 HBGD COC[C@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@](C)(Cl)CCl)C2 1797967895 BUYBSWMLLOKODW-WLZFUECHSA-N 424.325 -0.037 50 20 HBGD COC[C@H](NC(C)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCC(=O)NN(C)C 1802337633 PZQMIIHGEXKBOB-FZKCQIBNSA-N 411.503 -0.851 50 20 HBGD C[C@H](Cn1cncn1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCC(=O)NN(C)C 1802337774 RJYOQGSXDYTMGS-LVQVYYBASA-N 405.503 -0.075 50 20 HBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1CCC(=O)N1)CC2 1826085372 ORLSMUCANWUYHT-JQWIXIFHSA-N 422.511 -0.293 50 20 HBGD CN1CCC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)CC1 1829885543 HZPNHQRHIXMURQ-QAPCUYQASA-N 403.907 -0.616 50 20 HBGD O=C(CCc1cnc[nH]1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830725189 GZODVYHISMQUBG-PBHICJAKSA-N 400.863 -0.602 50 20 HBGD O=C(c1cn2cccnc2n1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830730992 GUBVCRPXYAGZKV-KBXCAEBGSA-N 423.857 -0.601 50 20 HBGD O=C(Cc1cscn1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1836038027 WOOCHJOPCDUQLK-CJNGLKHVSA-N 403.888 -0.258 50 20 HBGD CN1CCC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)C1 1839062395 AGPWSNDWLNIPLK-RLFYNMQTSA-N 403.907 -0.616 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccnc3C)C2)C1 1840155506 DPQREHMEZFEQDI-QAPCUYQASA-N 414.890 -0.098 50 20 HBGD C[C@H](Br)C(=O)N1CC2(CCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)C1 1843235567 DOYQXQQERMKSPV-QMMMGPOBSA-N 410.232 -0.587 50 20 HBGD COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CCN(S(C)(=O)=O)CC1 29144285 QDQCVISXLDPVFI-UHFFFAOYSA-N 404.876 -0.313 50 20 HBGD Cn1cc(C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)c(=O)n(C)c1=O 734989794 RUKWAKGTNDNFCM-UHFFFAOYSA-N 414.466 -0.943 50 20 HBGD C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)NNC(=O)C(=O)N1CCCC1 748344131 VSNZHFVQNSZQES-FQEVSTJZSA-N 413.434 -0.245 50 20 HBGD O=C(NNS(=O)(=O)c1cnn(Cc2ccccc2)c1)N[C@H]1CCS(=O)(=O)C1 751269781 FCQJTKMSYGJCBN-ZDUSSCGKSA-N 413.481 -0.389 50 20 HBGD C[C@H]1CN(c2ccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cn2)C[C@@H](C)O1 755866695 VZPUHJLAMPDQAF-TUAOUCFPSA-N 414.488 -0.214 50 20 HBGD CNC(=O)Cn1ccc2ccc(NC(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)cc21 756763198 VMMUUTUGLGMUEU-LBPRGKRZSA-N 407.452 -0.025 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cccnc1I 758048754 VLISWYUVUCVDRT-ZCFIWIBFSA-N 412.209 -0.615 50 20 HBGD O=C(CCNS(=O)(=O)c1ccccc1F)NNC(=O)C(=O)Nc1ccccn1 758827790 NNHVUHPLFXZLSL-UHFFFAOYSA-N 409.399 -0.325 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccccc1OC(F)(F)F 764228573 YGBLKCIJBFHBQM-ZETCQYMHSA-N 412.346 -0.391 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(F)ccc1OC(F)F 764230351 HHIVQRDMOMPKQM-ZCFIWIBFSA-N 412.346 -0.549 50 20 HBGD NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)NNC(=O)Cc2ccccc2F)c1 764314310 TWMOGBAAZWZNCU-UHFFFAOYSA-N 412.374 -0.059 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CCc2cccc(Cl)c2)n(C)c1=O 765728385 OYENQSCSBNSUOU-UHFFFAOYSA-N 418.841 -0.133 50 20 HBGD CCn1c(=O)c2ccccc2n(CC(=O)NNC(=O)c2cncc(NC(C)=O)c2)c1=O 773072689 LTXCCNCGXDYSJZ-UHFFFAOYSA-N 424.417 -0.002 50 20 HBGD CC(C)CS(=O)(=O)N1CCC(NC(=O)NN[C@]2(C)CCS(=O)(=O)C2)CC1 777765336 LCHKQBQILBEBRM-OAHLLOKOSA-N 410.562 -0.182 50 20 HBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CCc1ccc(S(N)(=O)=O)cc1 778437922 NNMDVZYPJXYECB-UHFFFAOYSA-N 400.457 -0.061 50 20 HBGD COc1ccc(Cl)cc1C(=O)NNC(=O)CN(C)CC(=O)N1CCN(C)CC1 779337259 YEBRAJLINZTXBP-UHFFFAOYSA-N 411.890 -0.185 50 20 HBGD CN1CCN(CC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)CC1=O 780157831 PHLIXSAFUXGPPD-UHFFFAOYSA-N 402.499 -0.880 50 20 HBGD CN(C)N(C(=O)CCC(=O)Nc1ccc2nc(O)[nH]c2n1)[C@@H]1CCS(=O)(=O)C1 792856013 WLFDPLBSPYIAED-SNVBAGLBSA-N 410.456 -0.126 50 20 HBGD COc1coc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1=O 798980577 UQZAKASOJHBMFD-UHFFFAOYSA-N 414.418 -0.133 50 20 HBGD COc1cccc(/C=C(/C(=O)NNC(=O)[C@@H]2CCc3nncn3C2)n2nnnc2C)c1 816878274 NYWMEHIBMDGHGR-SLVCOGOPSA-N 423.437 -0.010 50 20 HBGD Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)C2=O 919888230 AZZKRDFOSYRNSZ-MNOVXSKESA-N 408.436 -0.503 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CC1(F)F)CCO2 1779031788 FTRVBXDEYPPHFR-GUYCJALGSA-N 409.393 -0.216 50 20 HBGD COC[C@H](NC(C)=O)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1779317139 BSFMMRZOHRLOJQ-HUBLWGQQSA-N 424.267 -0.342 50 20 HBGD Cc1cn(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](F)Cl)CCO3)c(=O)nc1O 1785351535 SXCUNOXAKOXJTM-MLGOLLRUSA-N 402.810 -0.378 50 20 HBGD CC(=O)N/C(C)=C/C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1790561919 BSYSKIQCAOAFJZ-NJAOAXOHSA-N 423.514 -0.621 50 20 HBGD C[C@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1799273671 FYZDYUJCQMBDFK-WFZSHTGRSA-N 421.281 -0.590 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)Cn3ccnn3)sc2C1 1815783411 WSIFWKUHJUGYJV-LLVKDONJSA-N 420.499 -0.280 50 20 HBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ncnn1C)CC2 1826080466 MJUFWFBMSHODDY-JTQLQIEISA-N 420.499 -0.130 50 20 HBGD CC(C)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1 1830362167 MYELOEMBJMCTJI-KRWDZBQOSA-N 400.863 -0.416 50 20 HBGD O=C(c1ccc(F)cn1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830725580 QCZKSGCVLNDFMO-PBHICJAKSA-N 401.822 -0.110 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)COCCO)CC2)CC1 1836410958 RIVLJUSUGVPOKV-MRXNPFEDSA-N 405.923 -0.179 50 20 HBGD CC(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1839154997 FSZHMBCPQLQYRW-JKSUJKDBSA-N 410.298 -0.185 50 20 HBGD CN1C(=O)CC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)C(Cl)Cl)CCO2)C1 1840189434 QHYXULYGUIJZRN-ZBEGNZNMSA-N 408.282 -0.133 50 20 HBGD NS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)COCc2ccccc2)cc1 738545870 SIZVPCZPMMMNAP-UHFFFAOYSA-N 406.420 -0.363 50 20 HBGD CC(=O)N1CC[C@](C)(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)C1 747090492 DZHYXYCKXQCAIW-BEFAXECRSA-N 405.407 -0.225 50 20 HBGD O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 747365948 RYGAJOGLFFCSNP-LLVKDONJSA-N 413.847 -0.489 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@H](C)C[S@](C)=O)cc1 753356050 BDORJXYXXGYFGN-YDBLSZJJSA-N 404.514 -0.287 50 20 HBGD Cn1cc(-n2cc(C(=O)NNC(=O)CNC(=O)c3cccs3)ccc2=O)cn1 760566116 RFXIQWLIIMFDJQ-UHFFFAOYSA-N 400.420 -0.177 50 20 HBGD Cc1ccc(C)c(OCC(=O)NNC(=O)C(=O)Nc2ccn(CC(=O)N(C)C)n2)c1 763666404 ZLQXPUNVFLOKAF-UHFFFAOYSA-N 416.438 -0.247 50 20 HBGD Cc1ccc2oc(C(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc2n1 766646228 XYNCYBWQSWCEKW-UHFFFAOYSA-N 411.378 -0.655 50 20 HBGD CS(=O)(=O)[C@@H]1CCCCN(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1 767760276 PBJCHAXWAHESAN-CQSZACIVSA-N 407.456 -0.084 50 20 HBGD CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 787741354 WFZGUEAVECLVIJ-WDEREUQCSA-N 418.414 -0.937 50 20 HBGD CCOC(=O)c1ccc(F)c(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1 795302761 NNDUKBVAEHCYIW-JTQLQIEISA-N 423.444 -0.318 50 20 HBGD COC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 815564364 GRWQEHQDOCPCMP-LBPRGKRZSA-N 403.351 -0.867 50 20 HBGD CC(=O)N1CCN(Cc2ccccc2NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)CC1 815779400 DPBKBSHEWOFVAM-QGZVFWFLSA-N 417.466 -0.384 50 20 HBGD O=C(NNC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1)N[C@H]1CCS(=O)(=O)C1 920292921 JXPRUXMNSYBNCA-GJZGRUSLSA-N 408.480 -0.262 50 20 HBGD Cc1c(Br)cc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c(=O)n1C 1116778487 KLRHAZGOMFVTKS-QMMMGPOBSA-N 406.258 -0.348 50 20 HBGD Cn1c(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc(Br)c1C=O 1318914541 ZQQUOOJLJRFPEB-ZETCQYMHSA-N 407.246 -0.269 50 20 HBGD CN(C)C(=O)NCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781326210 VIMZZSSXWUZVCD-SMDDNHRTSA-N 409.256 -0.222 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnc(Cl)nc1)CCO2 1783932853 HLPWWKLLJDHIEU-GOSISDBHSA-N 424.889 -0.054 50 20 HBGD O=C(CCc1ncc[nH]1)N1CC[C@@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1784267135 FNRUWEFARYVTKL-HXUWFJFHSA-N 412.255 -0.834 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc(O)nc1O)c1cccc(B(O)O)c1 1796785822 YROJMRYLZMNMQD-BTTYYORXSA-N 412.211 -0.867 50 20 HBGD Cc1nc2ncccn2c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1797004264 XXMSECQQQLALIC-XJFOESAGSA-N 407.858 -0.159 50 20 HBGD CN[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@](C)(Cl)CCl)C(=O)O 1799275128 OJNJAMRQMXQOAM-QIJJUMSOSA-N 410.298 -0.125 50 20 HBGD O=C1C[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](F)Br)CCN1 1799351870 DBAAEDYCBFEABH-UWHIDBLNSA-N 406.252 -0.207 50 20 HBGD CC(=O)NCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2 1801690662 AKTFOICZVDMCHW-BTTYYORXSA-N 402.455 -0.537 50 20 HBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN(CCO)CCO)[nH]n1)[C@@H](O)CCl 1814875003 LPMRJHUUJXKRKC-KBPBESRZSA-N 417.894 -0.712 50 20 HBGD CC(=O)NCC(=O)N[C@@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826089435 DPWYKQCGELNILM-LLVKDONJSA-N 410.500 -0.436 50 20 HBGD O=C(c1cn2ncccc2n1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830728766 YBZXUQLJRWYWCD-KDOFPFPSSA-N 423.857 -0.601 50 20 HBGD Cc1n[nH]c(C)c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830732392 XFGSNKLOOUXPIP-CXAGYDPISA-N 400.863 -0.304 50 20 HBGD O=C(COCCO)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839201586 BKJRARJGIFYJMC-GXTWGEPZSA-N 413.240 -0.858 50 20 HBGD O=C(Cc1ccccc1O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839907038 XVVIMNNLMXXSDN-APWZRJJASA-N 412.870 -0.009 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]nnc3C)C2)C1 1840151631 IWLBDMDLNKCVNC-MLGOLLRUSA-N 401.851 -0.563 50 20 HBGD O=C([C@H](O)CCl)N1CC2(CCCN2C(=O)[C@H]2CCc3nc(O)nc(O)c3C2)C1 1842056946 VVIDQUAOMAPCHN-GXFFZTMASA-N 410.858 -0.204 50 20 HBGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@@H](CO)NC(=O)c2ccccc2)n1 728733381 WGHMSSZTRWBWGL-CYBMUJFWSA-N 420.447 -0.524 50 20 HBGD CC(C)NC(=O)C(=O)NNC(=O)CN1CCN(C(=O)OCc2ccccc2)CC1 747349431 GFVYNIYNYZUHNE-UHFFFAOYSA-N 405.455 -0.387 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)Cn3cnc(C#N)n3)cc2)CC1 748620011 NXSOSJFELYYNJL-UHFFFAOYSA-N 404.456 -0.771 50 20 HBGD NS(=O)(=O)c1cc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)co1 757635493 SNBWIYMETZTGAM-UHFFFAOYSA-N 401.426 -0.705 50 20 HBGD Cc1cc(O)cc(=O)n1CC(=O)OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 759906092 FWQCCHULKGVWDD-UHFFFAOYSA-N 404.335 -0.225 50 20 HBGD CCCNC(=O)[C@H]1CN(C(=O)C(=O)NNC(=O)c2cc(C)[nH]n2)c2ccccc2O1 764106764 RGUPWHSIPGYZEH-OAHLLOKOSA-N 414.422 -0.200 50 20 HBGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 764397799 NFHMWJPLPCAKMR-NSHDSACASA-N 417.426 -0.188 50 20 HBGD Cn1cc([N+](=O)[O-])c(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)n1 772058575 FRNAIHPGEJYVLG-LBPRGKRZSA-N 405.323 -0.528 50 20 HBGD COCCOc1ccc(F)cc1NC(=O)C(=O)NN[C@@]1(C)CCS(=O)(=O)C1 783427199 MOZJVBUXVBYFGL-INIZCTEOSA-N 403.432 -0.013 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNc2nnc(-c3ccccn3)s2)n(C)c1=O 788566728 NIORUEFWOJWGQI-UHFFFAOYSA-N 413.423 -0.510 50 20 HBGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cc(Cl)cc2c1OCC(=O)N2 806979471 WGNJALKLEVDFGX-QMMMGPOBSA-N 414.802 -0.192 50 20 HBGD NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NNC(=O)c2ccncc2)c1 920134239 ROKZLHBJNDGYIS-UHFFFAOYSA-N 405.436 -0.360 50 20 HBGD Cn1cnnc1COCC(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 1324301101 QCAKZZLYEAAHQL-UHFFFAOYSA-N 410.456 -0.504 50 20 HBGD Cn1cc(C(=O)C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cn1 1324987568 SZJLZQWLVZOBMB-UHFFFAOYSA-N 405.436 -0.152 50 20 HBGD CCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783933286 GKEJBCFJFQIVNO-AUUYWEPGSA-N 411.503 -0.896 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)CC3(O)CCC3)C2)C1 1784825020 MTONPDPMNRIIGG-HXUWFJFHSA-N 417.466 -0.566 50 20 HBGD CC[C@@H](C)[C@@H](N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791289164 MBKOAOYNIOVEGP-XZLOLGPPSA-N 411.547 -0.288 50 20 HBGD N[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2)c1ccccn1 1796058168 GPMQPHBPUVWLKT-SFNKJDCFSA-N 408.267 -0.287 50 20 HBGD O=C(Cc1ccccc1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1800568055 IOQVAHCAZSFXBN-UPHUGPLXSA-N 424.262 -0.482 50 20 HBGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSc1nc[nH]n1)C2 1800981001 KOGNMGCSVXAQRK-LSCVPOLPSA-N 403.892 -0.260 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc[nH]1)C2 1801013014 KCRGYWALFPWLIR-YVWYUNDQSA-N 405.499 -0.090 50 20 HBGD O=C(CN(CCO)CCO)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](O)CCl)[nH]n1 1822022423 FAYPDFGZWVWMRH-KBPBESRZSA-N 417.894 -0.712 50 20 HBGD O=C(c1cnc2[nH]ncc2c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830732411 XJSRKAZUWCHGQZ-KSSFIOAISA-N 423.857 -0.372 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 1840032407 XZVXFFUHOHVZFD-HWWQOWPSSA-N 418.288 -0.495 50 20 HBGD O=C(CN1CCS(=O)(=O)CC1)N1CC2(CCCN2C(=O)CCBr)C1 1842637477 UJZMLNMERVLUME-UHFFFAOYSA-N 422.345 -0.295 50 20 HBGD O=C1NCc2cc(C(=O)N3CC4(CCCN4C(=O)c4cccc(B(O)O)c4)C3)ccc21 1843013949 HOIONEYMHNOPBJ-UHFFFAOYSA-N 419.246 -0.259 50 20 HBGD Cc1nnc(NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)[nH]c1=O 11335277 MACJGZHXIGHGSG-UHFFFAOYSA-N 422.467 -0.430 50 20 HBGD CC(C)N(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 16786048 HHQGJXGFTGNIQB-CYBMUJFWSA-N 417.509 -0.089 50 20 HBGD Cc1cc(=O)c(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)nn1-c1ccccc1F 16786316 BRPFQPXLXOBLIN-LLVKDONJSA-N 408.411 -0.124 50 20 HBGD COc1ccc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(OC)c1 254835113 URWVRBIZFUHTFN-UHFFFAOYSA-N 400.395 -0.399 50 20 HBGD CCOC(Cn1cc(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)nn1)OCC 726931322 NKKWCZWNFPSDHJ-UHFFFAOYSA-N 415.414 -0.272 50 20 HBGD CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1 729275005 JIFYECHOHPYNJG-WDEREUQCSA-N 420.513 -0.538 50 20 HBGD Cn1cc(C(=O)NNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)cn1 735445120 IKAXGZYQQDWEMO-CQSZACIVSA-N 422.423 -0.057 50 20 HBGD COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NNC(=O)[C@@H]3COCCO3)cc2)[nH]1 744644273 UFMZLOBCQJHUJF-AWEZNQCLSA-N 404.379 -0.943 50 20 HBGD CCS(=O)(=O)N[C@@H](CCSC)C(=O)NNC(=O)CNC(=O)c1ccco1 751205007 VDRLWRQYFDUWDI-JTQLQIEISA-N 406.486 -0.782 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CO[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 758048239 QZGPHRSOPGBGHI-VXGBXAGGSA-N 422.504 -0.512 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(Cl)cc2cccnc12 764233303 USJXZYKTEJCZKU-QMMMGPOBSA-N 413.843 -0.088 50 20 HBGD CCOCC(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1 764318655 CYJPTJKRAPXVFQ-UHFFFAOYSA-N 400.457 -0.114 50 20 HBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CCc1c(C)nc2c(C(N)=O)cnn2c1C 772021021 GOZYBTQVVGXIFV-LLVKDONJSA-N 404.427 -0.133 50 20 HBGD Cn1c(C(=O)NNC(=O)CNC(=O)c2cccnc2)cc2c(=O)n3ccccc3nc21 784794809 VKIVPTLTZHVRTL-UHFFFAOYSA-N 419.401 -0.228 50 20 HBGD Cc1cccc(=O)n1C[C@@](C)(O)C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1 795779488 MCKIYOKYDALBLS-HXUWFJFHSA-N 412.402 -0.216 50 20 HBGD O=C(NC[C@@H](N1CCOCC1)C(F)(F)F)NNC(=O)C(=O)Nc1ccccn1 807540787 GBTNVNFANWIQOL-SNVBAGLBSA-N 404.349 -0.386 50 20 HBGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1cc([N+](=O)[O-])ccc1N 814784940 LAGBZXJMGWPYCL-UHFFFAOYSA-N 407.412 -0.398 50 20 HBGD CC(=O)NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 916556311 IYXKHQGCCGERED-UHFFFAOYSA-N 412.468 -0.675 50 20 HBGD COc1ccc(C(=O)NNC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 1317707413 KNEKFWVNPFFHHT-GFCCVEGCSA-N 408.436 -0.378 50 20 HBGD O=C(COC(=O)Cc1ccc(S(=O)(=O)CCO)cc1)NNC(=O)c1ccccc1 1320930941 OIEBIEYPKXUSES-UHFFFAOYSA-N 420.443 -0.001 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CC[C@@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCO2)C1 1781227243 INYHVCPRECTVAX-XFBWCDHKSA-N 409.314 -0.355 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCCO4)C[C@@H]21)[C@@H](O)CCl 1784092524 MKEDREZEBKYONE-JURCDPSOSA-N 412.874 -0.141 50 20 HBGD CN(C)c1ncc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)o1 1785881558 DBPZRJOQWDPXGA-CYDGBPFRSA-N 400.863 -0.066 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]2C1 1786891090 SAJNGQATYYQWSA-SMXCXOSKSA-N 423.341 -0.205 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C(Cl)Cl)C[C@@H]21)c1ccc(B(O)O)cc1 1786983998 YMWXZQCHTIQNSF-UBHSHLNASA-N 415.082 -0.237 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)C(=O)Nc1cccnc1 1788713179 NQUUBORQGJFFNE-MHEUCROKSA-N 410.858 -0.401 50 20 HBGD Cc1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)co1 1794769369 QNYWBLIWSQSCJP-DRXBFXEBSA-N 414.422 -0.501 50 20 HBGD CCNC(=S)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)Br 1800761875 IBOQVGPRKMZBAW-HNCHTBHHSA-N 421.361 -0.157 50 20 HBGD Cc1cnn([C@@H](C)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)c1 1801012097 CFZWREVDFBHXMT-GGXPGOJBSA-N 420.514 -0.285 50 20 HBGD CN[C@H](CC(=O)N1CC[C@H](CNC(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1)C(=O)O 1803138640 MCJYIUMBSORXSW-NYTXWWLZSA-N 412.874 -0.250 50 20 HBGD CC(=O)NCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817476879 FWVRHFFORRSISU-INIZCTEOSA-N 413.243 -0.469 50 20 HBGD C[C@@H](NC=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCC(=O)NN(C)C)CC2 1822903353 SIPJOSIOOXDPKO-GHMZBOCLSA-N 410.500 -0.437 50 20 HBGD C/C=C(/C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1839824953 CILCIYDJVSTFNZ-DSXZCEIVSA-N 417.466 -0.279 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1 1840032619 DUAOHIOORMLYJF-BCUIYNNISA-N 405.289 -0.003 50 20 HBGD CC[C@H](NC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)C(Cl)Cl)CCO2)C1 1840187472 CWCKMBZSEOQKBM-ZUZCIYMTSA-N 411.286 -0.307 50 20 HBGD CS(=O)(=O)c1cncc(C(=O)N2CCCC23CN(C(=O)[C@H](O)CCl)C3)c1 1842188161 NDNHNYVCHBNEOS-CYBMUJFWSA-N 401.872 -0.098 50 20 HBGD Cc1nnc(CC(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)s1 1843061457 BULAVSRFLPJYRN-UHFFFAOYSA-N 400.269 -0.414 50 20 HBGD C[C@H](CBr)C(=O)N1CC2(CCCN2C(=O)[C@H](O)N2CCOCC2)C1 1844293371 FSZXXGUOSZLKEA-OCCSQVGLSA-N 404.305 -0.129 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)Cn3ccccc3=O)cc2)CC1 728214194 ZYVUDHRORIZYFJ-UHFFFAOYSA-N 405.480 -0.072 50 20 HBGD Cn1c(=O)c2ccc(C(=O)NNc3ccccc3S(C)(=O)=O)nc2n(C)c1=O 732304446 NRZKMILZFZBFNO-UHFFFAOYSA-N 403.420 -0.207 50 20 HBGD CC(C)(C)C(=O)NNC(=O)CN1CCCN(CC(=O)NNC(=O)C(C)(C)C)CC1 744385707 TZIOEOSOPDBTLN-UHFFFAOYSA-N 412.535 -0.619 50 20 HBGD COc1ccccc1CC(=O)NNC(=O)NCCNS(=O)(=O)c1cccnc1 746327002 ZIABMNGMSGGZGS-UHFFFAOYSA-N 407.452 -0.058 50 20 HBGD COc1cc(C)nc(NNC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)n1 746765499 QNISMEHDDYCMDR-LBPRGKRZSA-N 402.477 -0.092 50 20 HBGD O=C(CN1C(=O)c2ccc(Br)cc2C1=O)NNC(=O)C(=O)N1CCCC1 748247574 REXOIANKBFCHKW-UHFFFAOYSA-N 423.223 -0.185 50 20 HBGD Cc1ccc(N2C[C@H](C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)CC2=O)cc1F 758037256 YQXDYZXBTHJBNQ-WDEREUQCSA-N 400.432 -0.428 50 20 HBGD O=C(NNC(=O)C1CCCC1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 764075987 ABRBFSPIRSSABL-UHFFFAOYSA-N 424.479 -0.016 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2cc([N+](=O)[O-])ccc2O)n(C)c1=O 764812745 QPEFDDCSMNCBQO-UHFFFAOYSA-N 401.339 -0.802 50 20 HBGD CCCCn1nc(C(=O)NNC(=O)NCCc2nnnn2C)c2ccccc2c1=O 772577810 MOLJASHHLDAUQC-UHFFFAOYSA-N 413.442 -0.093 50 20 HBGD COC(=O)C1(c2ccc(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc2)CC1 776278510 UDMIAKQYLABJNO-JTQLQIEISA-N 419.481 -0.862 50 20 HBGD O=C1CN(CCNC(=O)NNC(=O)COc2ccc(Br)cc2)CCN1 781406881 SODNPFOCFSXKAZ-UHFFFAOYSA-N 414.260 -0.410 50 20 HBGD CCc1nnc(NC(=O)[C@H](C)[C@H](C)NC(=O)NNC(=O)[C@H]2COCCO2)s1 805165695 RDTIUPDRPJLFRY-KXUCPTDWSA-N 400.461 -0.191 50 20 HBGD CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1c(C)nn(CCS(C)(=O)=O)c1C 1116285224 BLRZCWAZCDDKQJ-CYBMUJFWSA-N 404.514 -0.181 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccccn1 1785933613 TVOIAXGLZFAQDX-IEZWGBDMSA-N 409.251 -0.332 50 20 HBGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCBr)[C@H]2C1)n1cnnn1 1786407841 XLCKBFZEVUFVPJ-VOAKCMCISA-N 415.292 -0.001 50 20 HBGD C[C@]1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)CCCN1 1786981695 GVVXBFRQPRXTAQ-QUJKESNLSA-N 415.299 -0.898 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC(c3ccccc3)=NN1)C2)[C@H](O)CCl 1792984224 WOGVYLDBABYCID-WTNVTLLGSA-N 420.897 -0.058 50 20 HBGD Cn1cc(F)cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1796714306 HRSMHUYBKNDGOZ-ZSBFGKGUSA-N 415.230 -0.639 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1[nH]cc2c1CCC2 1798443892 WLYFZZKNLIBKJZ-HGKCTWBKSA-N 423.278 -0.300 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCC2(CCCN(C(=O)[C@@H]3CCC(=O)N3)C2)CC1 1809314628 NKCMYARTABDFNH-HNNXBMFYSA-N 407.515 -0.131 50 20 HBGD C[C@H](NC=O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc(B(O)O)cc2)n[nH]1 1817472375 GGLXXKAEJHUCBG-LRDDRELGSA-N 413.243 -0.470 50 20 HBGD C[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncn(C)n3)CCO2)C1 1833883909 VKQHSMWRWHUJJA-NHYWBVRUSA-N 416.276 -0.332 50 20 HBGD C[C@H](NC=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1839160257 QMLUKXPJKXBNDX-SWLSCSKDSA-N 406.277 -0.638 50 20 HBGD C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1840167584 ZWUHGTKXJWKWEY-NRFANRHFSA-N 414.267 -0.760 50 20 HBGD O=C(CCC(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1)N1CCCC1 1843010647 OIWPYVIAKPPPFM-UHFFFAOYSA-N 413.283 -0.414 50 20 HBGD N[C@@H](CC(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1)c1cccnc1 1843013320 GSUUSOKHNWLKOW-SFHVURJKSA-N 408.267 -0.332 50 20 HBGD C[C@H](C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2)n1ccccc1=O 1844364408 CLBJNUVKUNOIOH-OAHLLOKOSA-N 409.251 -0.394 50 20 HBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCCN1CCO[C@H](C)C1 726262192 XQEAVXXMESAGLJ-GFCCVEGCSA-N 412.516 -0.047 50 20 HBGD CN(C)N(C(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O)[C@H]1CCS(=O)(=O)C1 728179669 SDBKBWCZOCYYQA-KSSFIOAISA-N 408.480 -0.054 50 20 HBGD O=C(Cn1ccc2ccccc21)NNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 729451022 FAOCFDIPBUUBKG-HUUCEWRRSA-N 418.475 -0.176 50 20 HBGD CC(C)N1C(=O)C(=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)c2ccccc21 730569344 VYBWPWHYVWLRJK-UHFFFAOYSA-N 416.463 -0.153 50 20 HBGD CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)NCC(=O)O)cc1 730576178 CRQDDJLXMAIKCB-GFCCVEGCSA-N 417.465 -0.676 50 20 HBGD Cc1nc(S(=O)(=O)NCC(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)cn1C 750663382 NGEYKVYQAIWSTG-SNVBAGLBSA-N 413.431 -0.239 50 20 HBGD Cc1nc(Cl)ccc1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 752127904 TVXBQAZNJXNVCU-UHFFFAOYSA-N 405.802 -0.748 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(OCC(F)F)cc1 764228238 WJPCASPBDONWGJ-MRVPVSSYSA-N 408.383 -0.646 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C(C)(C)Cc2ccccc2)n(C)c1=O 766640377 SUMVQDUHOVQVEG-UHFFFAOYSA-N 412.450 -0.150 50 20 HBGD COc1nc(C)c(Br)cc1C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 777137436 LJBGEXSPHRSDTK-ZETCQYMHSA-N 409.262 -0.140 50 20 HBGD COC(=O)COc1ccc(NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)c(C)c1 783427063 LDXGUAZYJMHGJT-QGZVFWFLSA-N 413.452 -0.317 50 20 HBGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1cc(N2CCOCC2)ccc1C 797535892 QJCCYNVOBKHSOI-CQSZACIVSA-N 408.455 -0.031 50 20 HBGD Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)NNC(=O)[C@@H]1COCCO1 799258988 MEJMDOMADNOHBG-GJZGRUSLSA-N 420.422 -0.894 50 20 HBGD O=C(NNC(=O)[C@@H]1CCc2nncn2C1)Nc1ccc(CN2C(=O)CNC2=O)cc1 813820560 HMUMDIOIPIPTJQ-GFCCVEGCSA-N 412.410 -0.255 50 20 HBGD O=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1323101903 RCWSONZAAITCOF-SNVBAGLBSA-N 410.420 -0.193 50 20 HBGD C[C@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=N)N)C[C@@H]21 1783967744 KJIACLJMDPIBTG-RHYQMDGZSA-N 404.309 -0.520 50 20 HBGD O=C1CC[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](F)Br)C[C@@H]32)N1 1786676065 XQKVRDVYNIIGAE-JPYZYGQNSA-N 406.252 -0.065 50 20 HBGD CCC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@H]2C1 1786884593 JUOXNLKFCHPEMW-LXFSFDBISA-N 402.923 -0.034 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCCS3)C[C@@H]21)c1cccc(B(O)O)c1 1786986504 HVWAUFCXATWGQL-LEUOFYLZSA-N 418.324 -0.145 50 20 HBGD CC(C)[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1793387497 DPJFBLSBGXIBMD-DLTLXFJOSA-N 400.545 -0.097 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCCC1)C2)c1ccc(B(O)O)cc1 1795736716 CMWWGTPNPAAUAE-XEMDLRDOSA-N 415.299 -0.945 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Br)[C@H](O)N1CCOCC1 1800158532 PCIOOCHQWUHLAW-IXRFVVGDSA-N 408.268 -0.034 50 20 HBGD O=C(N[C@@H]1CCc2nc(NC(=O)[C@H](O)N3CCOCC3)sc2C1)[C@H](O)CCl 1819876861 KXONLZCRZPBJPL-OSQNNJELSA-N 418.903 -0.695 50 20 HBGD O=C(CN1C(=O)C=CC1=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](O)CCl)[nH]n1 1822526086 CKXCSMYQSFHROU-VXGBXAGGSA-N 409.830 -0.074 50 20 HBGD Nc1ncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)s1 1830722895 IOOHDBSSPZUIHI-ZUZCIYMTSA-N 404.876 -0.605 50 20 HBGD O=C1CC[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)C(Cl)Cl)CCO3)C2)CN1 1840187019 HWQUHENEHRDAOS-BDJLRTHQSA-N 408.282 -0.227 50 20 HBGD O=C1OCCN1CCC(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1843857010 WJKUGHGHSHETQC-UHFFFAOYSA-N 401.228 -0.974 50 20 HBGD COC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)CN1CCS(=O)(=O)CC1)C2 1846361111 YSDYUCJIZWRETJ-ZDUSSCGKSA-N 407.920 -0.826 50 20 HBGD COc1ccc(C(=O)NNC(=O)CN2CCN(Cc3noc(C)n3)CC2)cc1OC 733995200 DLPOLBODSAIQBS-UHFFFAOYSA-N 418.454 -0.026 50 20 HBGD Cn1cc(C(=O)NNC(=O)[C@H]2CCC[C@@H](C(=O)NNC(=O)c3cnn(C)c3)C2)cn1 735446466 ZUCGPPZINCENOI-TXEJJXNPSA-N 416.442 -0.818 50 20 HBGD C[C@H]1Cc2cc(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc(Cl)c2O1 736063457 PHEKRRVKUGJDIP-JGVFFNPUSA-N 411.889 -0.089 50 20 HBGD Cn1cc(Br)cc1C(=O)NNC(=O)CCn1cc(S(N)(=O)=O)cn1 749387494 YUCISZBLDSDCBY-UHFFFAOYSA-N 419.261 -0.517 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2ccnc(Cl)c2)n(C)c1=O 757808369 VHMPDDRVUPSOKY-UHFFFAOYSA-N 406.790 -0.665 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 758036748 UZBAEHXFEAUCPW-FZMZJTMJSA-N 408.480 -0.387 50 20 HBGD O=C(C[C@@H](C(=O)NN=C1CCC(O)CC1)N1CCOCC1)NN=C1CCC(O)CC1 761809987 NJBVXUZCGXTQAW-ABHNRTSZSA-N 423.514 -0.109 50 20 HBGD CCN(CC)c1ccnc(NNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)n1 762902161 MTYUPYVPSUPUFH-OLZOCXBDSA-N 410.500 -0.199 50 20 HBGD CCCCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)COC)cc1 764300427 OSTJDLKZDFFMJQ-UHFFFAOYSA-N 400.457 -0.161 50 20 HBGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(N2CCCN(C)CC2)cc1 764397025 DYCKQUQVKCZLCH-OAHLLOKOSA-N 421.498 -0.034 50 20 HBGD C[C@@H](C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1)N1CCN(C)CC1 766640254 CKWFYYTUIKTCOV-KRWDZBQOSA-N 416.526 -0.772 50 20 HBGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)Nc1ccncn1 770769223 WTNBFBGJQWSNRB-UHFFFAOYSA-N 406.424 -0.036 50 20 HBGD C[C@@]1(NNC(=O)C(=O)Nc2ccc(CCN3CCOCC3)cc2)CCS(=O)(=O)C1 783426195 GIDDSEWZIRPWOX-LJQANCHMSA-N 424.523 -0.302 50 20 HBGD Cn1nc(SCC(=O)NN=CC[C@@H]2CCCCC23OCCO3)c(=O)n(C)c1=O 788709101 GDSBVJMMEFXJPF-LBPRGKRZSA-N 411.484 -0.004 50 20 HBGD O=C1CN(S(=O)(=O)c2ccc(C(=O)NNc3nc4ccccn4n3)cc2)CCN1 791253875 WOTNYCZGIIZAJL-UHFFFAOYSA-N 415.435 -0.393 50 20 HBGD CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)NNC(=O)COc1ccccc1C#N 800746893 AYSABSGWEIZKGT-KBPBESRZSA-N 409.468 -0.015 50 20 HBGD O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)NNc1ccc(-n2ccnc2)nn1 804955312 XBYDWLFHVOFNRB-HNNXBMFYSA-N 414.470 -0.181 50 20 HBGD CC(C)(C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)N1CCOCC1 805559464 LKWIVVRMMZEHRQ-HNNXBMFYSA-N 407.423 -0.372 50 20 HBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)Cn1cncn1 863950071 QEFOVQXMQFHNRD-UHFFFAOYSA-N 422.467 -0.921 50 20 HBGD Cc1nnnn1/C(=C/c1ccccc1)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 920746584 XWAXUGWMZGVVKN-FYQHACEVSA-N 405.440 -0.503 50 20 HBGD CCN(CC)C(=O)N1CCC(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 1317963003 GQEMAGRNOSDRJH-ZDUSSCGKSA-N 403.505 -0.322 50 20 HBGD Cc1cc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)ccc1N1CCN(C)CC1 1320106325 SGGXJHGRJXJWEQ-CYBMUJFWSA-N 412.516 -0.163 50 20 HBGD COCc1noc(CN2CCN(CC(=O)NNC(=O)Cc3nc(C)cs3)CC2)n1 1320834743 ZTEGPXIZLVWQFM-UHFFFAOYSA-N 423.499 -0.511 50 20 HBGD COC(=O)C12CC(C(=O)N3CC[C@@]4(CN(C(=O)[C@@H](O)CCl)CCO4)C3)(C1)C2 1783440840 HJANLZPWURBMJI-IMBJVDQRSA-N 400.859 -0.241 50 20 HBGD CCOC(=O)N[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](Cl)COC)C2)C1 1783876879 BSFFVPKRNYBCQK-OZVIIMIRSA-N 407.851 -0.865 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21)[C@H](O)CCl 1784086140 VJEOYWHZYFHOHK-DEQVHRJGSA-N 415.834 -0.629 50 20 HBGD O=C(CCN1CCOCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1786744611 RBVSCBUETNQXGV-VGWMRTNUSA-N 403.907 -0.712 50 20 HBGD O=C(NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl)c1cccnc1 1792975649 SXHFVSDCIUAAKX-FQLMCAECSA-N 410.858 -0.999 50 20 HBGD Cc1nnc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)s1 1794103908 IVJUIKPGZIJVCI-NWJSVONSSA-N 402.904 -0.032 50 20 HBGD COC1(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)CCC1 1795736856 LAXBPNXGYWZVRR-HGKCTWBKSA-N 416.283 -0.471 50 20 HBGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccnn1 1795890131 CGVHJOCDTKKXIR-FMSGJZPZSA-N 400.277 -0.101 50 20 HBGD CN(C)C(=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1814620394 UIWXEFQTHVLHOI-GFCCVEGCSA-N 416.268 -0.863 50 20 HBGD O=C(N[C@H]1CCc2nc(NC(=O)c3ncon3)sc2C1)c1cccc(B(O)O)c1 1821021384 SWOWZKYMHBSOQA-NSHDSACASA-N 413.224 -0.255 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3noc(C)n3)CCO2)C1 1832931027 VAZQZAPQOMAGGB-SUMWQHHRSA-N 416.862 -0.369 50 20 HBGD O=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1)c1ccccc1 1834702608 ZLSHYJLABSRGBT-DNVCBOLYSA-N 410.854 -0.075 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1cncn1)CCO2 1840421493 UOEHBSWDCQEUQU-JKIFEVAISA-N 415.878 -0.451 50 20 HBGD O=C(NNC(=O)[C@H]1CCCN1C(=O)OCC(F)(F)F)N[C@H]1CCS(=O)(=O)C1 727800853 ZKDYALHQVWYKEE-DTWKUNHWSA-N 416.378 -0.333 50 20 HBGD COc1ccc(-c2noc(CCC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)n2)cc1 729276081 WSVHSIUWOZLTSN-JTQLQIEISA-N 411.440 -0.237 50 20 HBGD CN(C)N(C(=O)CSc1nnnn1CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 729946253 YRMITTVBSXKDIF-QMMMGPOBSA-N 402.424 -0.180 50 20 HBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2ccc(C(N)=O)s2)CC1 735117462 UHAOTYDSOLLUAX-UHFFFAOYSA-N 424.508 -0.065 50 20 HBGD O=C(Cc1cn2ccccc2n1)NNC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 746765356 IPDYUROJLWMTEV-MRXNPFEDSA-N 415.498 -0.386 50 20 HBGD NS(=O)(=O)c1ccc(C(=O)NNC(=O)C(=O)N2CCCC2)cc1Br 748074371 YZEFJSARWUKWLU-UHFFFAOYSA-N 419.257 -0.520 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2ccc(CC#N)cc2)n(C)c1=O 755536829 UMSIWFWNRVIYNA-UHFFFAOYSA-N 410.394 -0.647 50 20 HBGD Cc1ccc(C)c(OCC(=O)NNC(=O)NCCNS(=O)(=O)NC(C)C)c1 759549111 HFDSZXLJNRSNTN-UHFFFAOYSA-N 401.489 -0.155 50 20 HBGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1 764396704 ANLWEBPJZMYZJH-GFCCVEGCSA-N 412.418 -0.200 50 20 HBGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccc(NC(=O)c2ccccc2)nc1 764424259 HACLIFXZGFUYJM-CQSZACIVSA-N 413.390 -0.165 50 20 HBGD CCN1CCN(c2ccc(NC(=O)C(=O)NNC(=O)[C@@H]3COCCO3)cc2)CC1 764425173 NKFVSBBHUWWYGY-INIZCTEOSA-N 405.455 -0.670 50 20 HBGD CCOC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)cc1C#N 764426423 URGUSJGJMVEODD-ZDUSSCGKSA-N 405.367 -0.372 50 20 HBGD COc1ccc(C(=O)NNC(=O)COC(=O)c2cccc(C(N)=O)n2)cc1OC 781724360 HZVGDSMYQIXPJD-UHFFFAOYSA-N 402.363 -0.184 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@H]2CCC(=O)c3ccccc32)n(C)c1=O 786392218 PKDSBYYKJAFPCJ-ZDUSSCGKSA-N 424.417 -0.659 50 20 HBGD COC(=O)Cn1ncc(NC(=O)C(=O)NNC(=O)COc2ccccc2F)c1C 796991350 CTFBHJFGQHPNMZ-UHFFFAOYSA-N 407.358 -0.331 50 20 HBGD COc1cc(C(=O)NNC(=O)CN(C)S(=O)(=O)N(C)C)ccc1OC(C)C 816828538 IKNFIUGBSAFUDR-UHFFFAOYSA-N 402.473 -0.018 50 20 HBGD O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)NNC(=O)NC1CC1 920823316 NDVGYOCDPDEYBX-UHFFFAOYSA-N 423.495 -0.208 50 20 HBGD CS(=O)(=O)NCCc1ccc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)s1 1248462664 YZNUWDMBCDKBRJ-VIFPVBQESA-N 409.511 -0.965 50 20 HBGD O=C(NNC(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1)N[C@H]1CCS(=O)(=O)C1 1318701351 JAZHORHROONCIB-KGLIPLIRSA-N 409.468 -0.549 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CC3(F)F)C2)C1 1778147814 GWMHMQCHXATVFU-DYVFJYSZSA-N 409.393 -0.216 50 20 HBGD CNC(=S)NCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](Cl)COC)CCO2 1779042520 YLLAPKPOCYQXLD-MLGOLLRUSA-N 406.936 -0.446 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(=O)c3ccco3)[C@H]2C1 1785142375 PLDIHYTVSYIYPQ-DZKIICNBSA-N 420.466 -0.185 50 20 HBGD C[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CNC(=O)C3)C[C@@H]21 1791063683 PWEMUHLGTYPQAO-FHUSYTEZSA-N 402.289 -0.114 50 20 HBGD CC(=O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1793217600 DBZSZBXYWHKNGD-YWVIFJGQSA-N 417.466 -0.497 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1cccnc1 1793938971 AJUHSXQNJXIXME-YVWYUNDQSA-N 419.482 -0.577 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccccc1O 1800570477 POJBDNVKGKHLII-VPTLXERWSA-N 418.494 -0.103 50 20 HBGD CN1CCC(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)CC1 1801008994 LVNPQKQIGHOAFZ-UPHUGPLXSA-N 423.558 -0.319 50 20 HBGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)C1CC(O)C1 1803042754 DWNLKDMLCWHABN-OYGLOCFBSA-N 423.278 -0.148 50 20 HBGD C[C@H](NC=O)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1808361767 PPHMKJSCFWDKCH-FNHZYXHNSA-N 424.266 -0.785 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)n3)C2)C1 1839145115 VFDSHWCVBFYSQZ-DIFFPNOSSA-N 414.846 -0.025 50 20 HBGD C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839173488 UJEUEXMAEPNRAP-KBXCAEBGSA-N 418.874 -0.448 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840043790 USUOSJSWOGTBHW-HZPDHXFCSA-N 407.250 -0.233 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCOC3=O)C2)C1 1840151331 YPBGHFBRSRTYGC-CXAGYDPISA-N 419.862 -0.851 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(CO)on3)C2)C1 1840154177 OFLZHOUAMBEIPC-CXAGYDPISA-N 417.846 -0.509 50 20 HBGD COc1ccccc1NCC(=O)NNC(=O)CN(C)S(=O)(=O)c1cccnc1 107928043 WNUIHPHLGCVTCT-UHFFFAOYSA-N 407.452 -0.030 50 20 HBGD CC(=O)N[C@H](CC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1ccc(Cl)cc1 729274984 ITUZSQDPDDEAOQ-NOZJJQNGSA-N 404.876 -0.008 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CN1C(=O)COc2ccc(Cl)cc21 758034950 IYZBCAGGHVZPOR-MRVPVSSYSA-N 404.832 -0.850 50 20 HBGD N#Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cccc(-n3cnnn3)c2)cc1 763674071 KOZDVTNXUJDQJR-UHFFFAOYSA-N 406.362 -0.301 50 20 HBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)NC2CC2)c1C 764318439 VDWXDAFUTFXEDU-UHFFFAOYSA-N 412.468 -0.133 50 20 HBGD CNC(=O)[C@@H]1CCC[C@H]1NC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 766274762 GUBMULRWTYQTTE-ZIAGYGMSSA-N 411.484 -0.204 50 20 HBGD CCC(=O)c1ccc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 766637877 VZVLLVOBDRZBTA-UHFFFAOYSA-N 412.406 -0.512 50 20 HBGD Cc1cc(S(=O)(=O)NCCNC(=O)NNC(=O)C(=O)NC2CC2)c(C)s1 772625372 OQRKFTZXMGDBHB-UHFFFAOYSA-N 403.486 -0.748 50 20 HBGD O=C(CNC(=O)c1cccs1)NNC(=O)C(=O)Nc1cccc(-n2ccnn2)c1 784004595 YQKLKFWIXOIMQD-UHFFFAOYSA-N 413.419 -0.155 50 20 HBGD CCn1nc(C(=O)NNC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)c2ccccc2c1=O 816805766 IHJKCYYVPCBEAR-NSHDSACASA-N 422.467 -0.907 50 20 HBGD CS(=O)(=O)[C@@H]1CCCN(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)C1 1320235580 XYLPBJDUCXTAIM-CQSZACIVSA-N 410.500 -0.057 50 20 HBGD Cc1nccn1CC(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1782779865 PQPLRQYGNFHXTN-IBGZPJMESA-N 406.487 -0.606 50 20 HBGD COCCn1nccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784091197 XEJZIDUKUDLSMX-UGQVUOCMSA-N 414.890 -0.278 50 20 HBGD CC[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=N)N)[C@H]2C1 1786807962 APALCNTWXNRFCE-BJDJZHNGSA-N 404.309 -0.377 50 20 HBGD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1)n1cncn1 1791293033 FYJUQUSKCGLEBT-UGUYLWEFSA-N 421.502 -0.808 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)C=CC3=O)[C@H]2C1 1791396562 GOEBYYNOBTZQMT-FQUUOJAGSA-N 413.858 -0.855 50 20 HBGD CN1CCN(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)[C@@H](O)CCl)CC3)CC1 1818794367 MFBPRCXZPAVEGR-YPMHNXCESA-N 415.947 -0.098 50 20 HBGD CC(=O)NCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCC(=O)NN(C)C)CC2 1825245909 BXZRFALUNFWIRI-GFCCVEGCSA-N 424.527 -0.046 50 20 HBGD Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)n(C)n1 1830725711 RIUDSYQCKCCPGJ-PBHICJAKSA-N 400.863 -0.602 50 20 HBGD CC(C)/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1835940000 RVIGPKMLQJNCOU-BXKJMJEDSA-N 416.283 -0.351 50 20 HBGD CCC(=O)N[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1841534936 BIFVWLCZWDWIPA-LBPRGKRZSA-N 402.455 -0.583 50 20 HBGD O=C(CSc1ncccn1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013564 XXSPPJMCLQPULE-UHFFFAOYSA-N 412.280 -0.234 50 20 HBGD COc1cc2ncn(CCCC(=O)NNC(=O)c3cnn[nH]3)c(=O)c2cc1OC 729456367 GHYFAJKJJKFXNJ-UHFFFAOYSA-N 401.383 -0.227 50 20 HBGD CCc1cccc2c1NC(=O)C2=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O 733076904 XWPKTNUFVPPJJZ-UHFFFAOYSA-N 402.436 -0.394 50 20 HBGD CS(=O)(=O)CCOCCNC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O 743640432 WCJVEDDCYKXNED-UHFFFAOYSA-N 411.440 -0.417 50 20 HBGD NS(=O)(=O)c1cnn(CC(=O)NNC(=O)c2cccc(Br)c2)c1 743731272 NPMXJKGADVNPCU-UHFFFAOYSA-N 402.230 -0.246 50 20 HBGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1Cl 749772997 VOIQLCRSGHKLHY-SSDOTTSWSA-N 413.861 -0.626 50 20 HBGD CCn1c(NNC(=O)CNS(=O)(=O)c2cn(C)cn2)nc2ccccc2c1=O 756042066 UQBAFFPYJFKUJW-UHFFFAOYSA-N 405.440 -0.429 50 20 HBGD Cc1n[nH]cc1C(=O)NNC(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 756547244 ALZPMAGIEBPQEH-UHFFFAOYSA-N 422.471 -0.339 50 20 HBGD O=C(CCNS(=O)(=O)c1ccc(F)cc1)NNC(=O)C(=O)Nc1ccccn1 758839422 NBVYEPKAZLBWER-UHFFFAOYSA-N 409.399 -0.325 50 20 HBGD CC(C)(C)C(=O)NNC(=O)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 761063315 GCRARSYDGZIIIS-UHFFFAOYSA-N 419.482 -0.119 50 20 HBGD O=C(CSc1ccccc1O)NNC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 764045897 BYHPVWVNDFXRQC-HOJOPBEUSA-N 405.432 -0.206 50 20 HBGD N#Cc1ccc(C(=O)NNC(=O)CN2CCC(N3CCS(=O)(=O)CC3)CC2)cc1 766865732 IEAPEDNCKPWQMS-UHFFFAOYSA-N 419.507 -0.486 50 20 HBGD Cn1ncc2c(O)nc(NNC(=O)NCCN3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)nc21 770412281 LDBZOLSPVJYBPH-QSFUFRPTSA-N 412.410 -0.498 50 20 HBGD COCCn1ccc2ccc(NC(=O)C(=O)NNC(=O)C(=O)N3CCCC3)cc21 784002718 KNJOQCQIRIFEMS-UHFFFAOYSA-N 401.423 -0.004 50 20 HBGD Cc1ccn(C[C@@](C)(O)C(=O)OCC(=O)NNC(=O)Cc2nc(C)cs2)c(=O)c1 790689831 KTPQEZFBAMVXQB-GOSISDBHSA-N 422.463 -0.394 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)C[C@@H]2CCCOC2)c1 795281532 ZYSYCSJAVOTYMH-GFCCVEGCSA-N 405.498 -0.072 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2cccc(C(=O)O)c2Cl)n(C)c1=O 814876629 ACOSGMSZJDZCCT-UHFFFAOYSA-N 418.797 -0.064 50 20 HBGD O=C(COC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)NNC(=O)c1cccs1 845924276 WFKLYLWAOVTIBP-CHPZLBCBSA-N 403.416 -0.141 50 20 HBGD CC(C)O[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1779167861 WESCLOPYULHQNO-FOIQADDNSA-N 404.272 -0.377 50 20 HBGD Cc1cnn(CC(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1 1783933868 JYHFSWGSBPYKAY-LJQANCHMSA-N 406.487 -0.606 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C[C@@H]21)[C@H](O)CCl 1784090943 RNCVJCGPUNGJPP-MMWGEVLESA-N 401.807 -0.489 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)C(F)(F)F)C[C@@H]21)[C@@H](O)CCl 1784096528 ZNTDMRMPSWORIW-NAKRPEOUSA-N 415.796 -0.756 50 20 HBGD C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)n1cccn1 1784517632 BLRPDVNLVTZDPX-YWZLYKJASA-N 412.255 -0.732 50 20 HBGD Cn1cccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1785891261 RSDNCVDIBOEYME-IEZWGBDMSA-N 411.267 -0.388 50 20 HBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3C[C@@H]3F)C[C@@H]21 1788609852 MZEMYJZRWGOZQU-QSJNVLDBSA-N 405.430 -0.364 50 20 HBGD CC[C@H](NC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1792614483 PRBTZWWTSRSFRJ-MHORFTMASA-N 401.272 -0.467 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccncc1)C2)c1cccc(B(O)O)c1 1795739729 GYHXVRNVIHKIKW-XEMDLRDOSA-N 409.251 -0.793 50 20 HBGD N[C@@H](Cc1cccnc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796189311 WWAPGEMDKVICMI-YRPNKDGESA-N 422.294 -0.417 50 20 HBGD CN1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CO[Si](C)(C)C)C3)CC1 1797236507 LNLLWICFJQLUMH-HGKCTWBKSA-N 412.607 -0.325 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnn2ccncc12)c1ccc(B(O)O)cc1 1797597343 XWYBFQBEHHVEGK-BJWYYQGGSA-N 419.250 -0.025 50 20 HBGD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2)n1cnnn1 1801434789 IIOYYWWUXGRNTH-KQXIARHKSA-N 401.265 -0.391 50 20 HBGD C/C(=C/C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnccc1C(=O)NN)C2)C(=O)O 1804169846 KIZMZAJDWZZMNF-NAQZKKFPSA-N 401.423 -0.032 50 20 HBGD O=C1NC(=O)[C@H](CC(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H](O)CCl)CC2)N1 1825071213 OMICQDHODHKEQS-MELADBBJSA-N 414.890 -0.196 50 20 HBGD COCC(=O)N1CCO[C@]2(COCCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C2)C1 1834971183 CIKUZUCRIMNLHS-KNGGAZFVSA-N 421.454 -0.777 50 20 HBGD O=C(c1cc2n(n1)CCC2)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837088821 QADNMLXFJPMPRD-CRAIPNDOSA-N 412.874 -0.501 50 20 HBGD CC[S@](=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837234619 JBWZPJMWARCGIS-DHGSNXJZSA-N 410.920 -0.799 50 20 HBGD CNC(=S)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1837464453 AMVLLVZFDFMLAF-SWLSCSKDSA-N 410.899 -0.539 50 20 HBGD O=C(Cn1nccn1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1839237415 HWFSMZMVRBNMMH-GXTWGEPZSA-N 420.239 -0.575 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(C)=O)C2)C1 1840155405 AVNNRSXQHGKSRQ-WMLDXEAASA-N 405.879 -0.777 50 20 HBGD C/C=C/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCC(=O)NN(C)C)CCO2 1840185535 RVQBJIJQCCXDCX-UDUFCUIISA-N 408.499 -0.052 50 20 HBGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCS(C)(=O)=O)CCO2)C1 1840550257 LOUKVXZUOXLCCD-XJKSGUPXSA-N 410.920 -0.105 50 20 HBGD O=C(c1cnn2cccnc12)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014123 ZWKQDFGTZSFRAO-UHFFFAOYSA-N 405.223 -0.460 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2cn3ncccc3n2)C1 1843769778 YZHTYJBONLWRGT-UHFFFAOYSA-N 405.223 -0.460 50 20 HBGD CCC[C@H](NC(C)=O)C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1847004391 CKIJQQUMKKIDNC-KRWDZBQOSA-N 401.272 -0.512 50 20 HBGD CN(C)N(C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[C@H]1CCS(=O)(=O)C1 728177050 RGRNOJZLGDIWJP-JTQLQIEISA-N 410.408 -0.317 50 20 HBGD Cc1csc([C@](O)(CC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)C(F)(F)F)n1 729276908 NZRYUBMTFDIIRA-WRWORJQWSA-N 418.419 -0.323 50 20 HBGD Cn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1cnn(-c3ccccc3)c1)c(=O)n2C 733108726 WWZXFUKQTNQMOF-UHFFFAOYSA-N 422.405 -0.919 50 20 HBGD COc1ccc(C(=O)NNC(=O)c2cn(C)c(=O)n(C)c2=O)cc1Br 735012059 FRSNKDAUVRWUKI-UHFFFAOYSA-N 411.212 -0.070 50 20 HBGD CN(C)CCNC(=O)C1CCN(CC(=O)NNC(=O)c2ccc(C#N)cc2)CC1 744392369 KSUYHQHUXVQZEQ-UHFFFAOYSA-N 400.483 -0.291 50 20 HBGD Cc1ccc(C(=O)NNC(=O)COC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 745481473 JNWRCRFBSRPCHI-OMNBBPDLSA-N 415.402 -0.538 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cccc(C(=O)N2CCOCC2)c1 755934347 UBKNMLVOPQDGPM-LLVKDONJSA-N 413.456 -0.751 50 20 HBGD COC(=O)CCCc1nnc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)s1 756685996 QCDRLBPZDKTFQM-MRVPVSSYSA-N 405.458 -0.379 50 20 HBGD COC(=O)c1cn(C2CCN(CC(=O)NNC(=O)Cc3nc(C)cs3)CC2)nn1 759890307 QVXUBFBWWRFBJZ-UHFFFAOYSA-N 421.483 -0.143 50 20 HBGD Cc1nnnn1-c1cccc(NC(=O)C(=O)NNC(=O)COc2ccccc2O)c1 764281126 ZHYCYKPICBGCSV-UHFFFAOYSA-N 411.378 -0.159 50 20 HBGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccc(CCN2CCSCC2)cc1 764423573 BMAJVHGCNYNFCQ-MRXNPFEDSA-N 422.507 -0.221 50 20 HBGD COc1ccccc1-c1cc(C(=O)NNC(=S)NCCNS(C)(=O)=O)n[nH]1 764500510 QBWXJGYOALRUAR-UHFFFAOYSA-N 412.497 -0.257 50 20 HBGD CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc2c(c1)CC(=O)N2 764819001 YSVADFKEORLZSI-UHFFFAOYSA-N 409.406 -0.531 50 20 HBGD Cc1cccc2[nH]cc(CC(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)c12 765729905 ITNVISKJZMJHGJ-UHFFFAOYSA-N 423.433 -0.386 50 20 HBGD CC(C)Nc1ncccc1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 766646209 XUJZEZCFCKCILB-UHFFFAOYSA-N 414.426 -0.890 50 20 HBGD CCN1CCN(c2cccc(NC(=O)C(=O)NNC(=O)[C@@H](C)OCCOC)c2)CC1 770783009 XBBCWBJVQZYIIT-OAHLLOKOSA-N 421.498 -0.034 50 20 HBGD COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)NNC(=O)c2cnn[nH]2)C1=O 771467654 SRXVACPDUMMCBN-QGZVFWFLSA-N 401.383 -0.650 50 20 HBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CCNS(=O)(=O)c1ccc(Cl)nc1 771920127 CUWXFEDYYZWAKS-SECBINFHSA-N 406.848 -0.108 50 20 HBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 771997395 LRVJTXDEOWAGSK-LBPRGKRZSA-N 412.468 -0.029 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(Br)cc1F 775279437 WUKLWLDPDVZGTI-LURJTMIESA-N 418.266 -0.165 50 20 HBGD CC(C)(C)OC(=O)NCC(=O)NNS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 777940981 QHZARVBDLXEJMZ-UHFFFAOYSA-N 407.470 -0.076 50 20 HBGD C[C@@H]1CN(CCC(=O)NNC(=O)Cn2c(=O)nc(O)c3ccccc32)C[C@@H](C)O1 793101901 LHKIIBDOPUTIEQ-CHWSQXEVSA-N 403.439 -0.251 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cn(C3CCOCC3)nn2)c1 809940805 RKANGBSDQARVQG-UHFFFAOYSA-N 422.467 -0.045 50 20 HBGD O=C(CCNS(=O)(=O)c1ccccc1Cl)NNC(=O)CN1CCCC1=O 920826771 RYLKARKYAACWPB-UHFFFAOYSA-N 402.860 -0.222 50 20 HBGD CCOc1ccc(S(=O)(=O)NCC(=O)O[C@H](C)C(=O)NNC(=O)CC)cc1 1320367403 LPNCVUIHXQEPSA-LLVKDONJSA-N 401.441 -0.147 50 20 HBGD CN1CC(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C3)C1 1782750367 PQLPPCABKSYSDG-OXQOHEQNSA-N 409.531 -0.565 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)C[C@](C)(O)CC(=O)O)C2)C1 1783932302 XEKRIUIODVTMIH-AFAVFJNCSA-N 406.863 -0.314 50 20 HBGD Cc1nccn1[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1784638137 BIDSGDBNFNAKNA-FOIQADDNSA-N 420.514 -0.045 50 20 HBGD O=C(/C=C/c1cnc[nH]1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1791503391 DRQVXCDWFJEBHU-JIIGUXNLSA-N 424.266 -0.604 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=COCCC1)C2)c1cccc(B(O)O)c1 1795740633 FFODPHTZHVFOBA-ALXJQNPVSA-N 400.240 -0.736 50 20 HBGD O=C(Nc1nc2c(s1)C[C@H](NC(=O)[C@H](O)CCl)CC2)c1cccc(B(O)O)c1 1815350602 ZSNLRHXNKNKGBQ-DGCLKSJQSA-N 423.687 -0.352 50 20 HBGD C[C@@H](O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnccc1C(=O)NN)CC2 1825621971 WGBRCDCLNBAUJY-BDAKNGLRSA-N 404.452 -0.252 50 20 HBGD COC(OC)C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1831033726 KEAVSVUVWOQBDW-QGZVFWFLSA-N 404.536 -0.087 50 20 HBGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)COCCO)C2)C1 1839965851 NGKZEJACMWAGAX-CZUORRHYSA-N 423.304 -0.375 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 728509912 SAIPMKLMYSIGHG-SECBINFHSA-N 404.470 -0.791 50 20 HBGD CC[C@]1(C)NC(=O)N(CC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)C1=O 728844863 DTRLXQUWBSYXOV-SFHVURJKSA-N 403.443 -0.439 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 729276711 KYINVBFUQUUHFO-ZETCQYMHSA-N 412.877 -0.590 50 20 HBGD NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)NNC(=O)Cc3cccnc3)CC2=O)c1 746219845 ZKXPNWYDOVXRAM-ZDUSSCGKSA-N 417.447 -0.528 50 20 HBGD O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)Nc1cccnn1 757661022 KRMWVMCCAHVETC-UHFFFAOYSA-N 406.424 -0.036 50 20 HBGD Cn1cnc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 758126483 HRPRTSWGFQLVQC-UHFFFAOYSA-N 421.479 -0.165 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 769685891 SLKCDRRVZPRIOO-UHFFFAOYSA-N 415.431 -0.180 50 20 HBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 772186583 GADCDTIRERJBKL-GHMZBOCLSA-N 403.461 -0.788 50 20 HBGD C[C@H]1CN(S(=O)(=O)c2cc(C(=O)NNC(=O)CO)ccc2Cl)C[C@H](C)O1 777782012 MEZINCJYHISFQB-UWVGGRQHSA-N 405.860 -0.109 50 20 HBGD Cc1nccnc1N1CCN(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CC1 799354071 ZWQDLFOJVUWAIP-UHFFFAOYSA-N 408.426 -0.063 50 20 HBGD CC[C@H](N=c1nn[nH]n1-c1ccccc1)C(=O)NNC(=O)[C@H]1CCc2nncn2C1 816879769 VPOVCKRFYGYVLP-JSGCOSHPSA-N 410.442 -0.724 50 20 HBGD CN(C)C(=O)NNC(=O)c1cc(Br)c(C(=O)NNC(=O)N(C)C)o1 1321179915 NXARVARVSANELU-UHFFFAOYSA-N 405.209 -0.126 50 20 HBGD CN(C)N(C(=O)c1ccc(CCNS(C)(=O)=O)s1)[C@H]1CCS(=O)(=O)C1 1324129645 XAFPIDGFHFXFGN-NSHDSACASA-N 409.555 -0.054 50 20 HBGD CC(C)(C#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779028724 JSBMZUKRMSFBLH-IBGZPJMESA-N 400.439 -0.322 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2 1783935798 WXDNKCPQXFITKH-SFHVURJKSA-N 422.442 -0.261 50 20 HBGD CC(C)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]2C1 1786886412 UADPCKMKXYJQID-XUXIUFHCSA-N 402.923 -0.176 50 20 HBGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCCC3=O)C[C@@H]21 1791251495 JUQNNDVIPCHSQS-XQLPTFJDSA-N 401.891 -0.158 50 20 HBGD CC[C@@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2 1796319438 NAIOJBOWVNEHJB-LSCVPOLPSA-N 405.293 -0.192 50 20 HBGD CN1CCCC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830720008 QRNSIUUWULGPKE-DAYGRLMNSA-N 403.907 -0.473 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3C(=O)CNC3=O)CCO2)C1 1832332917 YJPUTWYKTBPXDC-SJKOYZFVSA-N 416.862 -0.988 50 20 HBGD CN(C)C(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCBr)C2)C1 1835428714 LOUBFZOLNBKGIP-HNNXBMFYSA-N 406.277 -0.684 50 20 HBGD O=C(Cn1ccccc1=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1835995670 TZBUZDXQSDGOMN-WBVHZDCISA-N 401.822 -0.161 50 20 HBGD Cn1c(=O)c2c(ncn2CCC(=O)NNC(=O)CCOc2ccccc2)n(C)c1=O 142650842 TZVLRTBYUSUOMX-UHFFFAOYSA-N 414.422 -0.560 50 20 HBGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)N[C@@H]1CCN(CCN2CCOCC2)C1 734684920 BPTLGFGICOKINK-QAPCUYQASA-N 419.482 -0.437 50 20 HBGD CCOC(=O)CNC(=O)C1CCN(CC(=O)NNC(=O)c2ccc(F)cc2)CC1 749464055 PPDPUNGEWSJHDT-UHFFFAOYSA-N 408.430 -0.022 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNS(=O)(=O)C3CC3)CC2)cc1 762447013 QPNDIZRMQVJZCN-UHFFFAOYSA-N 416.525 -0.586 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NN=C2CCN(Cc3ccccc3)C2=O)n(C)c1=O 764813244 WBDXMVUZLGNBNF-UHFFFAOYSA-N 423.433 -0.662 50 20 HBGD Cc1nc2scc(C)n2c1C=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 764817153 NOJMAXRKEOAHAG-UHFFFAOYSA-N 414.451 -0.090 50 20 HBGD CC(=O)CCC(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 765726429 BSQUXRVBJIXGFQ-UHFFFAOYSA-N 410.496 -0.182 50 20 HBGD COc1cc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)ccc1OC(C)C 768240135 SLCFGPJXXCTAHX-JTQLQIEISA-N 416.456 -0.494 50 20 HBGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 784003554 ZVPKBZXGAMJORE-UHFFFAOYSA-N 415.309 -0.096 50 20 HBGD CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NNC(=O)C2=NN(CCO)C(=O)CC2)C1 819659602 XKVXBQNKGNDSBY-GFCCVEGCSA-N 411.459 -0.248 50 20 HBGD CN(CC(=O)NNC(=O)CN1CCCC1=O)S(=O)(=O)c1ccc(Cl)cc1 920825680 FCZFJLBIMDJZFZ-UHFFFAOYSA-N 402.860 -0.270 50 20 HBGD CCS(=O)(=O)CCNC(=O)NNC(=O)c1sc(N2CCOCC2)nc1C 1321491716 VGMKIJKBUWXKMJ-UHFFFAOYSA-N 405.502 -0.333 50 20 HBGD CN[C@@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](Cl)COC)C1)C(=O)O 1782170357 IZWSBKHSYMXVHU-UYAYXHRUSA-N 419.906 -0.183 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)[C@H]3CC[C@H](O)CC3)C2)C1 1784131497 CMVFDNHJTWMYJF-HGHGUNKESA-N 416.283 -0.639 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)C(F)(F)Cl)C2)C1 1784173677 NZVOVOXHVPSRHY-HNNXBMFYSA-N 402.590 -0.359 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCCSC3)C2)C1 1785472790 HKWHYYOZAZIUJL-UZLBHIALSA-N 418.324 -0.047 50 20 HBGD CCC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@H]2C1 1790633028 MJPKGGQDCXGTBB-FQUUOJAGSA-N 417.890 -0.083 50 20 HBGD CC(C)NCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1795709023 IAINMMUVTGKOAQ-ZSBFGKGUSA-N 418.498 -0.724 50 20 HBGD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)ccn1 1795740338 VGQKVCFSRXNWJE-IZZQQSIFSA-N 409.251 -0.413 50 20 HBGD N[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1ccccn1 1796187231 RXFGVIQULPFZKQ-SFNKJDCFSA-N 408.267 -0.287 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cccnn2n1)c1ccc(B(O)O)cc1 1799101069 HRVVXOBLAZZATL-BJWYYQGGSA-N 419.250 -0.025 50 20 HBGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)n1cnnn1)C2 1800643989 BPSONDACEIJVOM-UJPOAAIJSA-N 415.292 -0.003 50 20 HBGD CC(=O)N[C@H](C)C(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809973203 ADEQSEAKKNVDDJ-OAHLLOKOSA-N 415.299 -0.264 50 20 HBGD CC(=O)NCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1831394450 NJQJAUZEKHJMMB-LJQANCHMSA-N 415.299 -0.264 50 20 HBGD O=C(C1CCC(CO)CC1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1832514077 JMHPCYQWUBAWTB-YBSITQRDSA-N 418.918 -0.159 50 20 HBGD Cc1nn(C)c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1F 1833702133 KXJCJKPSWSGTBY-PXAZEXFGSA-N 418.853 -0.463 50 20 HBGD CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)CC1 1835929583 XHYVSHLIBKHYMP-HXUWFJFHSA-N 402.256 -0.764 50 20 HBGD C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837460351 CKNALTDZTHTILE-XIKOKIGWSA-N 423.495 -0.927 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(O)[nH]3)CCO2)C1 1838071496 QNAQNQOAYTUZQX-BDJLRTHQSA-N 402.835 -0.561 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839143628 BYZYEERGILKCNQ-QFBILLFUSA-N 424.690 -0.546 50 20 HBGD CC(=O)NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Br)CCO2 1840035348 OAFAFEDMSGLPOZ-LRDDRELGSA-N 420.304 -0.248 50 20 HBGD O=C(NCCS(=O)(=O)N1CCOCC1)NNC(=O)c1cccc2ncccc12 730125827 ODBPGRRYVTWIND-UHFFFAOYSA-N 407.452 -0.159 50 20 HBGD O=C(NNC(=O)[C@H]1CC(c2cc(F)ccc2F)=NO1)N[C@H]1CCS(=O)(=O)C1 732657138 LHUVAAXTQVVOAQ-TVQRCGJNSA-N 402.379 -0.025 50 20 HBGD O=C1C[C@@H](Cc2ccc(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)cc2)C(=O)N1 746015422 VJJBRZNCGWSFQK-OAHLLOKOSA-N 419.401 -0.058 50 20 HBGD C[C@@]1(NNC(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)CCS(=O)(=O)C1 748464586 GNDUCCHTILNVIZ-GOSISDBHSA-N 424.527 -0.499 50 20 HBGD CNS(=O)(=O)c1csc(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)c1 748690101 YQTYPHJWGIXAHL-UHFFFAOYSA-N 421.460 -0.022 50 20 HBGD Cc1cc(Cl)ncc1NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 757721450 SZNFDQAMDFIBEA-UHFFFAOYSA-N 420.817 -0.357 50 20 HBGD NC(=O)COc1cccc(NC(=O)C(=O)NNC(=O)COc2ccc(F)cc2)c1 763839365 FYOJSQMZBNKKNQ-UHFFFAOYSA-N 404.354 -0.145 50 20 HBGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(N3CCOCC3)nc2C)n1 763893754 YRSUFPXTODNJHR-UHFFFAOYSA-N 415.454 -0.174 50 20 HBGD CC[C@H](N=c1nn[nH]n1-c1ccccc1)C(=O)NNC(=O)CNC(=O)c1cccnc1 764343160 MCBLNSJHKLIOGS-HNNXBMFYSA-N 423.437 -0.753 50 20 HBGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)CCN3C(=O)CCC3=O)CC2)cc1 765748122 JPMROWPNSVYUIY-UHFFFAOYSA-N 415.494 -0.201 50 20 HBGD COC(=O)c1cc(F)c(C)c(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1 769865161 LVTLSGSSXAWWOC-JTQLQIEISA-N 423.444 -0.400 50 20 HBGD C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)NNC(=O)C(=O)NC1CC1 770956523 VJYDRVWQDDESOR-MRVPVSSYSA-N 422.385 -0.202 50 20 HBGD CC(=O)Nc1cncc(C(=O)NNC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1 773074274 MIVBKVHCXUDLCK-XOUADPBQSA-N 415.406 -0.647 50 20 HBGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)N=c1ccnc2n(C)[nH]cc1-2 806974193 YMNLSNZJIUDJQS-UHFFFAOYSA-N 412.406 -0.095 50 20 HBGD CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)NNC(=O)[C@H]3CCCO3)cc21 815779533 JMLMKJMBULXACG-CQSZACIVSA-N 405.411 -0.579 50 20 HBGD NS(=O)(=O)c1cc(C(=O)NNC(=O)CNC(=O)c2ccco2)ccc1Cl 915789073 DPLMIYAMBNQFMW-UHFFFAOYSA-N 400.800 -0.229 50 20 HBGD COc1ccc(N2C[C@H](C(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2=O)cc1 919888214 AVIUNCNOFPCSRO-VXGBXAGGSA-N 410.452 -0.434 50 20 HBGD CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NNc2nccn(C)c2=O)c1 1116199422 ATLLAGRAUHMGLD-UHFFFAOYSA-N 410.456 -0.884 50 20 HBGD COCC(=O)NCCC(=O)NNC(=O)CN1CCN(Cc2ccc(C)cc2)CC1 1319303004 LVMBQOQBFXWCSY-UHFFFAOYSA-N 405.499 -0.587 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)Cc3cccnc3)CCO2)C1 1779031206 NMTAAVGQLYPJRL-OAQYLSRUSA-N 424.461 -0.234 50 20 HBGD Cn1cncc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779031230 OCSIFPFOMFUPCP-IBGZPJMESA-N 413.438 -0.824 50 20 HBGD CC[C@@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1781047560 CMCLHVXXNYUZFA-RSUWNVLCSA-N 404.305 -0.287 50 20 HBGD O=C1CN(CC(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](F)Br)C3)C2)C(=O)N1 1781327160 XULDPRHLNWHUEM-BXUZGUMPSA-N 421.223 -0.941 50 20 HBGD O=C(CCN1CCCC1)N1CC[C@]2(C1)CN(C(=O)c1cccc(B(O)O)c1)CCO2 1785671482 SUXDMCPNONDEDH-NRFANRHFSA-N 415.299 -0.704 50 20 HBGD COCC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)CC1 1791288090 WUHDMOANDWMITB-JYJNAYRXSA-N 410.515 -0.234 50 20 HBGD CCOC(=O)/C=C/C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791288749 SEBQDLHKSAUFIU-MMNKQPACSA-N 424.498 -0.542 50 20 HBGD CCC(=O)N[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1793452074 JWVMPVSSZIJPIB-VDNDLQMASA-N 401.272 -0.467 50 20 HBGD CN[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)Br)C(=O)O 1800757062 UCXABRTYAZYRMX-ONYIWYLUSA-N 406.277 -0.578 50 20 HBGD NC(=O)[C@H](N)CCC(=O)N1CC[C@H](CNC(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1 1803138889 OYHVFIFGSNXQEM-NYTXWWLZSA-N 411.890 -0.720 50 20 HBGD Cc1nnc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)s1 1830722608 GBSICMCVNDWKJM-MLGOLLRUSA-N 418.903 -0.555 50 20 HBGD O=C([C@H](O)CCl)N1CCC([C@H]2CCCCN2C(=O)CN(CCO)CCO)CC1 1831482035 IUZHZNSRNYKCJE-IAGOWNOFSA-N 419.950 -0.508 50 20 HBGD CC[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)COCCO)CCO2)C1 1839195216 HPSYPCDCBNOZQF-CZUORRHYSA-N 423.304 -0.375 50 20 HBGD O=C(c1ncon1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839200887 RLYSKXLHBSVGEE-RNCFNFMXSA-N 407.196 -0.170 50 20 HBGD COC(=O)[C@@H]1CC[C@H](C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)C1 1843010516 WWCIHLNRXRZEQY-JKSUJKDBSA-N 414.267 -0.227 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2cnc3ncccn23)C1 1843762083 IXHLELQKLIHEGY-UHFFFAOYSA-N 405.223 -0.460 50 20 HBGD CN(CC(=O)NNC(=O)c1ccc2c(c1)OCCO2)S(=O)(=O)c1cccnc1 106194728 BQQARSGDAWFXKR-UHFFFAOYSA-N 406.420 -0.066 50 20 HBGD O=C(Cc1cccc(F)c1)NCCNC(=O)NNC(=O)CNC(=O)c1ccco1 725871997 UGOQIKTYDYRGHN-UHFFFAOYSA-N 405.386 -0.162 50 20 HBGD Cc1ccc(S(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c(C)c1OCC(=O)O 726156364 UJDFQBMPPRMOCG-LLVKDONJSA-N 420.465 -0.489 50 20 HBGD CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NNC(=O)CNC(=O)c2cccs2)CC1=O 733146252 ZVJHHDUBGIPHFW-UONOGXRCSA-N 421.523 -0.042 50 20 HBGD CC(C)CNC(=O)N1CCC[C@H](CC(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 741214615 YRFQLFRIQVWANL-ZIAGYGMSSA-N 417.532 -0.028 50 20 HBGD O=C(CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 742462958 IWKBHAMNBOMGDV-GBOPCIDUSA-N 402.363 -0.092 50 20 HBGD CN(C)C(=O)NNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 746003238 CLWGFVOVQOZNBH-UHFFFAOYSA-N 411.484 -0.398 50 20 HBGD O=C(NNC(=O)N1CCC(N2CCCNC2=O)CC1)c1ccc(-n2cnnn2)cc1 747938282 NVUQOTSSXDOFEJ-UHFFFAOYSA-N 413.442 -0.104 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(CC(C)(C)C)nn1C 764227759 ROHZOCIKKIRCID-VIFPVBQESA-N 402.477 -0.968 50 20 HBGD COc1ccc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1[N+](=O)[O-] 764815815 HCKLMLVYJJOCOK-UHFFFAOYSA-N 415.366 -0.499 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc(C(C)(C)C)on2)n(C)c1=O 765725224 PWARRWNVYHLMQE-UHFFFAOYSA-N 403.399 -0.820 50 20 HBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 772159532 JPBBVEPNKKCQPP-LMONPCFVSA-N 409.439 -0.338 50 20 HBGD CS(=O)(=O)C1(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CCC1 796191806 AYNYSJXUCBSPTP-ZDUSSCGKSA-N 412.420 -0.516 50 20 HBGD CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)NNC(=O)c1ccccc1OC 812885454 QJUSLDKHTBHCSH-LBPRGKRZSA-N 412.468 -0.325 50 20 HBGD COC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)CN1CCCc2ccccc21 815565715 XMQIIHWAGHBQQS-UHFFFAOYSA-N 414.422 -0.255 50 20 HBGD CS(=O)(=O)CC1(CNC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)CC1 1319126971 HGSGDFWNULFULT-UHFFFAOYSA-N 403.482 -0.141 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCC2(O)CCOCC2)c1 1323827331 JODMMHKMDAWLPT-UHFFFAOYSA-N 414.484 -0.188 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1778854128 VKNSMFNEOSDLBF-BZNIZROVSA-N 400.867 -0.597 50 20 HBGD CC[C@@H](NC)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779030591 CYABFKPBHFDGLF-DNVCBOLYSA-N 404.471 -0.873 50 20 HBGD Nc1n[nH]c(CCC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H](O)CCl)C3)n1 1779239151 QZURBUGYUPGVEX-XWCIJXRUSA-N 414.894 -0.567 50 20 HBGD CN(CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1)C(=O)C(=O)O 1781332992 GQUPJBVRJOKNOG-YGRLFVJLSA-N 424.223 -0.950 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnnc3)C[C@@H]21)c1cccc(B(O)O)c1 1786984365 AWGRABDFQCONDI-SZMVWBNQSA-N 410.239 -0.937 50 20 HBGD CC[C@@H](NC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1792614485 PRBTZWWTSRSFRJ-XMTFNYHQSA-N 401.272 -0.467 50 20 HBGD O=C(CCBr)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(O)nc1O)C2 1795112430 DVIQZPUQUFCYFU-BZBKMWRSSA-N 415.244 -0.124 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cccs1)C2)c1cccc(B(O)O)c1 1795738847 ILIJIPMHACGEMX-CCWDJLKJSA-N 414.292 -0.126 50 20 HBGD CC(C)NCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797750977 YMTVKFPKILLDSQ-ZSBFGKGUSA-N 418.498 -0.724 50 20 HBGD CN[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@](C)(Cl)CCl)C(=O)O 1799275126 OJNJAMRQMXQOAM-NWPKGIRNSA-N 410.298 -0.125 50 20 HBGD CNC(=O)CC(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1803480683 CIMBPOUAPLBNKJ-FOIQADDNSA-N 418.498 -0.404 50 20 HBGD O=C1CC[C@H](C(=O)N2CCCC3(CCN(C(=O)c4cccc(B(O)O)c4)CC3)C2)N1 1809464785 BWZOFXVWZIDQPG-QGZVFWFLSA-N 413.283 -0.510 50 20 HBGD Cn1nncc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1816033851 KECHOMZYQMNRHQ-OAHLLOKOSA-N 423.242 -0.162 50 20 HBGD O=C(CCc1cnccn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830739085 YKSQJQBQXJRANA-CRAIPNDOSA-N 412.874 -0.535 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1837363055 BIMRURWUGRSPOR-CVEARBPZSA-N 421.281 -0.445 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1840032409 XZVXFFUHOHVZFD-MQIPJXDCSA-N 418.288 -0.495 50 20 HBGD Cn1c(=O)c2c(ncn2CCC(=O)NNC(=O)Cn2cnc3ccccc32)n(C)c1=O 17405518 ZTKVUYBSKHJLKF-UHFFFAOYSA-N 424.421 -0.979 50 20 HBGD O=C(CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NNC(=O)C(=O)NC1CC1 726619882 SRCBRIRDOVDBLR-UHFFFAOYSA-N 424.357 -0.711 50 20 HBGD Cn1cc(C(=O)NNC(=O)c2cccc(C(=O)NNC(=O)c3cnn(C)c3)c2)cn1 735446439 XWEIDACVICYYLF-UHFFFAOYSA-N 410.394 -0.697 50 20 HBGD O=C(COCc1ccccc1)NNC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 738497482 WLSMNGGSIAORDF-UHFFFAOYSA-N 403.439 -0.633 50 20 HBGD NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)C(=O)N1CCCC1 748360097 FMYGMZLFGGUYJV-AWEZNQCLSA-N 419.438 -0.683 50 20 HBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2cc3n(n2)CCCO3)CC1 762870676 JLARNLLBQZDGFR-UHFFFAOYSA-N 421.483 -0.246 50 20 HBGD C[C@H](CC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(F)cc1 765730559 LSEGJQCQGKFSQF-LLVKDONJSA-N 416.413 -0.086 50 20 HBGD CSCCNC(=S)NNC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 770246155 JQIHBXPPOXDVNZ-ZDUSSCGKSA-N 403.574 -0.442 50 20 HBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 771853410 GTMGDKFVWHTSEP-LLVKDONJSA-N 410.452 -0.006 50 20 HBGD O=C(NNC(=O)c1ccccn1)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 776062489 WEFATDJDGFJOPF-UHFFFAOYSA-N 406.424 -0.036 50 20 HBGD COc1ccc(C(=O)NNC(=O)COC(=O)C(C)(C)S(C)(=O)=O)cc1OC 785994260 WYXZROQAXLNXEF-UHFFFAOYSA-N 402.425 -0.169 50 20 HBGD O=C(COC(=O)[C@]12CCC(=O)N1CCS2)NNC(=O)[C@H]1COc2ccccc2O1 804008640 YBOMZHGZIUSQRO-FZKQIMNGSA-N 421.431 -0.418 50 20 HBGD Cc1ccc(OCC(=O)NNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 901392309 JHBZONMVCLTEJK-ZDUSSCGKSA-N 422.463 -0.313 50 20 HBGD CCC(=O)N[C@H](C)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 920400533 OSMYFLJJBOUZRU-GFCCVEGCSA-N 412.468 -0.617 50 20 HBGD COC[C@@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cnnn1)C2 1782170236 DCFAZQKUKJUZCK-XJKCOSOUSA-N 400.867 -0.559 50 20 HBGD Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)ccn1 1786981116 SXESLBHPYHADHR-IHPCNDPISA-N 423.278 -0.023 50 20 HBGD CCCC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1788740103 YFUKMSKOPASHFD-LXFSFDBISA-N 403.907 -0.129 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cnc[nH]3)C[C@@H]21 1791291180 NRMFHRLYHICGKM-BPUTZDHNSA-N 406.487 -0.695 50 20 HBGD CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1793387499 DPJFBLSBGXIBMD-RMHZUWNSSA-N 400.545 -0.097 50 20 HBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C(=O)O)ncn1 1794369559 QVRBFWSCASAOTL-MIJXAVMKSA-N 412.830 -0.368 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1cnccn1)C2)c1cccc(B(O)O)c1 1795740597 CIJUYNMNVNCPQQ-INOXAESOSA-N 422.250 -0.927 50 20 HBGD O=C(CCBr)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(CCO)CCO 1801732781 PKIPYDYMAPOVCJ-BTTYYORXSA-N 406.321 -0.304 50 20 HBGD CN(C)C(=O)C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1806939205 KOVOZPSMTNBCPT-AEFFLSMTSA-N 424.266 -0.831 50 20 HBGD Cn1nncc1C(=O)N1CCCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1 1807296085 PXFUGGRBKYMOBY-UHFFFAOYSA-N 411.271 -0.347 50 20 HBGD CN1CCC(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)CC1 1829996370 OUQJGVXWNDQLCR-QFBILLFUSA-N 417.934 -0.226 50 20 HBGD COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)nc1 1830727969 LNNRGXIKVNWFJP-YJBOKZPZSA-N 413.858 -0.240 50 20 HBGD C[C@@H](Br)C(=O)N1CCC(N2CCC(NC(=O)CNC(=N)N)CC2)CC1 1834677901 CYECHZOKRZMFOL-LLVKDONJSA-N 417.352 -0.176 50 20 HBGD CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1835675073 JOIYTBWUJABEIF-KBXCAEBGSA-N 416.906 -0.676 50 20 HBGD O=C(NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)c1cc(CO)on1 1836186395 MGKYFIJPZWFMMJ-INIZCTEOSA-N 414.890 -0.048 50 20 HBGD C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839840222 AUFOHCSDJYUEPE-IIBYNOLFSA-N 416.283 -0.351 50 20 HBGD CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)Br)CCO2)C1 1840035653 YXCNAJFNGXIGIK-OZVIIMIRSA-N 420.304 -0.249 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)NCC(C)C)C2)C1 1840152873 XHXPOJWLNNWIGN-KBXCAEBGSA-N 419.906 -0.531 50 20 HBGD Cc1c[nH]cc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840184140 VJUPXTKEXZEITL-HXUWFJFHSA-N 421.498 -0.234 50 20 HBGD C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnccc1C(=O)NN 1847819054 CBSSCRNVIVKRFB-CQDKDKBSSA-N 423.495 -0.819 50 20 HBGD COc1ccc(S(=O)(=O)NNC(=O)NCC2CC2)cc1[C@@]1(C)NC(=O)NC1=O 145081713 RLYVPXVVKPSNNC-MRXNPFEDSA-N 411.440 -0.348 50 20 HBGD CC(=O)N1c2ccc(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc2C[C@@H]1C 728510298 WBQMDMRAPGAHLG-VHSXEESVSA-N 418.497 -0.769 50 20 HBGD O=C(COC(=O)Cn1ncn2nccc2c1=O)NNC(=O)c1cccc(Cl)c1 732863533 YEZQCURLIXAXFH-UHFFFAOYSA-N 404.770 -0.451 50 20 HBGD Cc1cc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)ccc1-n1cncn1 743433345 CHYBNELRLXMZOA-UHFFFAOYSA-N 414.451 -0.389 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2sccc2C2CC2)n(C)c1=O 766636987 QMYUCANCZLCKAN-UHFFFAOYSA-N 402.436 -0.166 50 20 HBGD O=C(NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2)NNC(=O)C(=O)NC1CC1 776058053 XUEWADXXYDBKFT-JKSUJKDBSA-N 414.466 -0.806 50 20 HBGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1cccc(OC[C@H]2CCCO2)c1 784000262 SYMFTRHLUHAHFQ-OAHLLOKOSA-N 404.423 -0.047 50 20 HBGD CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)C1 807577504 AHMRKDQBTQDCML-GFCCVEGCSA-N 414.444 -0.190 50 20 HBGD COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NNC(=O)[C@@H]1CCc2nncn2C1 816884575 CKEKYHNIDPICAO-SECBINFHSA-N 417.817 -0.061 50 20 HBGD CCC(=O)N[C@@H](C)C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 920400549 OSMYFLJJBOUZRU-LBPRGKRZSA-N 412.468 -0.617 50 20 HBGD O=C(NCC1CC1)NNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 920833987 QSPZXXPUZWLJRL-UHFFFAOYSA-N 418.497 -0.390 50 20 HBGD CN(C)S(=O)(=O)c1cccc(NC(=S)NNC(=O)CCN2CCOCC2)c1 1317702781 VNIBRVIXFFHNOQ-UHFFFAOYSA-N 415.541 -0.023 50 20 HBGD O=C(C[C@@H]1C=CS(=O)(=O)C1)N1CCN(S(=O)(=O)CBr)CC1 1320266333 VHNBPVDNCZBUBF-JTQLQIEISA-N 401.304 -0.239 50 20 HBGD C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779028303 CKEZNISGAJFMSW-VLIAUNLRSA-N 417.466 -0.280 50 20 HBGD Cc1cc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)n[nH]1 1779158974 QTAKJBNMGLKTSJ-FQEVSTJZSA-N 412.255 -0.916 50 20 HBGD Cc1cnc(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)cn1 1783935867 GDSBSZJCCIRKST-IBGZPJMESA-N 404.471 -0.398 50 20 HBGD COc1nn(C)cc1C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783935875 GEJCRAXOPAQDPO-IBGZPJMESA-N 422.486 -0.755 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cccnc1 1785944371 WOZNEWKQOWEHSQ-WDSOQIARSA-N 409.251 -0.332 50 20 HBGD CC(=O)C[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786983725 RGUYFVBEOYYZEL-JXIYXGQPSA-N 416.283 -0.425 50 20 HBGD CN(C)C(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Br 1799342647 JNCOEOBMPGZDDR-QCMRWSPLSA-N 409.256 -0.462 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCC2(CCCN(C(=O)[C@@H](N)CCC(N)=O)C2)CC1 1809683366 ZAEPQUMJTJKQLI-HNNXBMFYSA-N 424.546 -0.817 50 20 HBGD O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1812879035 OGUVGKXJHVZDGK-UZLBHIALSA-N 421.218 -0.831 50 20 HBGD NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817476877 FSMHWVXLUCNHQK-HNNXBMFYSA-N 413.243 -0.339 50 20 HBGD Cc1[nH]nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1F 1830725686 RALZCMOZNRVWCQ-MEDUHNTESA-N 404.826 -0.473 50 20 HBGD O=C(c1ccc(Cl)nn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731154 IHRINLNRIFYCKW-MLGOLLRUSA-N 419.265 -0.200 50 20 HBGD COc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)n1 1833761451 JNCYAYVQRQFAOJ-KBXCAEBGSA-N 413.858 -0.240 50 20 HBGD CC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1834901822 QKTIGFFGICSIGE-FQEVSTJZSA-N 419.482 -0.199 50 20 HBGD C/C=C/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1839837189 RJXLNFAGASHHBN-UDUFCUIISA-N 408.499 -0.052 50 20 HBGD C[C@H](C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1)N1C[C@H]2C[C@H]2C1 1844264309 FNBBMDKIBMFUKV-KFWWJZLASA-N 412.494 -0.158 50 20 HBGD CC(=O)c1cccc(S(=O)(=O)NCC(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)c1 728180129 XOELXVWVBNTXEM-AWEZNQCLSA-N 417.509 -0.340 50 20 HBGD O=C(CCc1ccccc1O)NNS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 729965172 PDKRZKHRQKGFAO-UHFFFAOYSA-N 404.404 -0.136 50 20 HBGD COc1ccccc1OCC(=O)NNC(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O 735512139 LQEUIFSZVRHJEE-ZDUSSCGKSA-N 402.411 -0.057 50 20 HBGD C[C@@H]1C[C@@H](NC(=O)NNC(=O)CNC(=O)c2cccs2)C(=O)N1c1cnn(C)c1 743578440 KWTGLEJDAAZMPX-ZYHUDNBSSA-N 419.467 -0.264 50 20 HBGD C[C@H]1CN(C(=O)Cn2cc(NC(=O)NNC(=O)c3cnccn3)cn2)C[C@@H](C)O1 756836566 BOSBGHYZXOWUFE-TXEJJXNPSA-N 402.415 -0.225 50 20 HBGD Cn1cnn(-c2ccc(NC(=O)C(=O)NNC(=O)[C@@H]3Cc4ccccc4O3)cc2)c1=O 764152782 FZXSKVIWYZELCI-INIZCTEOSA-N 422.401 -0.339 50 20 HBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 764326015 DGKZDBSLENRNJG-INIZCTEOSA-N 419.482 -0.025 50 20 HBGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)N2CCOCC2)[C@H](C)O)cc1 779505167 GNWJAAJRRHXLHG-JSGCOSHPSA-N 400.457 -0.904 50 20 HBGD COC(=O)[C@H]1CCN(CC(=O)NNC(=O)Cc2nc(C)cs2)[C@H](C(=O)OC)C1 780350117 DTBQACJQBYDJLH-RYUDHWBXSA-N 412.468 -0.432 50 20 HBGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)cc1OC 797070114 HUXKLUFMLTXHRT-UHFFFAOYSA-N 418.362 -0.409 50 20 HBGD O=C(CCC(=O)N1CCOCC1)NNC(=O)CCN1CCN(c2ccccc2)CC1 913391918 PDKRRSKMVVQYDU-UHFFFAOYSA-N 417.510 -0.015 50 20 HBGD C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919885168 KPJQTZWDIOVLTE-JOYOIKCWSA-N 402.860 -0.024 50 20 HBGD CC(=O)NNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 1317716425 HFQAONUOHFVUKV-GFCCVEGCSA-N 411.889 -0.411 50 20 HBGD CS(=O)(=O)c1cccc(NNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c1 1324939639 QZUMRNMQQWFESM-WCQYABFASA-N 415.493 -0.431 50 20 HBGD CN(CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@](C)(Cl)CCl)C2)C1)C(=O)C(=O)O 1781231763 DTKXMCSQMPBWSL-JKSUJKDBSA-N 424.281 -0.404 50 20 HBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CS(C)(=O)=O)C2 1800970245 AGDZTPINAHSMSO-HPCHECBXSA-N 410.920 -0.490 50 20 HBGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)Cc1cscn1)C2 1800975131 JPSGQDIOBRWBHG-QFCKPIOYSA-N 416.931 -0.144 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(O)cn1)C2 1801012111 DSQQGNSIKBPXDJ-VTEUUUEMSA-N 419.482 -0.708 50 20 HBGD C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCC(=O)NN(C)C 1802330392 ZTMZIWIWPPQFLD-FYVVFRBKSA-N 405.499 -0.144 50 20 HBGD CNC(=O)CC(=O)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809968698 BCKHCEZIYVZWGY-UHFFFAOYSA-N 401.272 -0.653 50 20 HBGD O=C(O)C#CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827053749 ZVVKFEUPCMSVDK-GOSISDBHSA-N 412.251 -0.312 50 20 HBGD COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)nc1 1830727968 LNNRGXIKVNWFJP-QAPCUYQASA-N 413.858 -0.240 50 20 HBGD CNC(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1831275246 ZRZXIPODZZTUGH-QGZVFWFLSA-N 401.536 -0.570 50 20 HBGD CC(=O)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837622630 JQRYEBWODDOKTL-UHFFFAOYSA-N 402.256 -0.432 50 20 HBGD C#CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)CCN2C[C@@H](C)O[C@H](C)C2)cc1 732259975 MLHQKOOINXQWEO-HUUCEWRRSA-N 422.507 -0.142 50 20 HBGD Cn1c(=O)c2cc(C(=O)NNc3ccccc3S(C)(=O)=O)cnc2n(C)c1=O 732304813 WBLXCBGXGDTYRZ-UHFFFAOYSA-N 403.420 -0.207 50 20 HBGD NS(=O)(=O)c1cnn(CCC(=O)NNC(=O)C(F)(F)Oc2ccccc2)c1 741708254 AKCAFVQGEQDOEL-UHFFFAOYSA-N 403.367 -0.260 50 20 HBGD O=C(CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NNC(=O)Cc1cn2ccccc2n1 746553037 CYTLLRXQHDIDRG-XHSVMWQWSA-N 411.418 -0.423 50 20 HBGD COc1ccc(C(=O)NCCCC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1 758030361 PZIPAJXWFNQDCV-NSHDSACASA-N 400.457 -0.710 50 20 HBGD Cc1csc(CC(=O)NNC(=O)COC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)n1 758506616 LXZPPXKPRCNQFE-RYUDHWBXSA-N 422.463 -0.140 50 20 HBGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)C(=O)Nc1ccc2c(c1)OCCO2 763916623 ICUPICPUIHWZSG-UHFFFAOYSA-N 409.362 -0.167 50 20 HBGD CCN(CC(=O)NNC(=O)Cc1ccccc1C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 764157978 VUZYYSCLDHLWEJ-MRXNPFEDSA-N 424.523 -0.690 50 20 HBGD COC(=O)c1c(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)sc(C)c1C 764233389 WNCANQTVIKEGGF-ZETCQYMHSA-N 420.469 -0.825 50 20 HBGD Cc1ccccc1CC(=O)NNC(=O)CN1CCN([C@H](C)C(=O)NC2CC2)CC1 766845313 AUAMAMCXLBHDRW-MRXNPFEDSA-N 401.511 -0.030 50 20 HBGD Cc1ccc(-n2cccn2)cc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 789583976 ALLKPXZMHMRFDV-NSHDSACASA-N 408.440 -0.796 50 20 HBGD CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)NNC(=O)COc1ccccc1O 800057049 XLWCWCBGTZJNGA-VXGBXAGGSA-N 400.457 -0.181 50 20 HBGD COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@H]1CCc2nncn2C1 816884934 MINXGVCQUGFTOM-RYUDHWBXSA-N 424.458 -0.166 50 20 HBGD NS(=O)(=O)c1ccc(CC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)s1 915188966 MRFQTIAXDJYKIF-UHFFFAOYSA-N 407.437 -0.625 50 20 HBGD CC(C)O[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1779167863 WESCLOPYULHQNO-QRWLVFNGSA-N 404.272 -0.377 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](N)CCC(N)=O)CCO2)C1 1781227597 NECIQJFJGUOOLS-UVBJJODRSA-N 409.314 -0.355 50 20 HBGD O=C([C@H](F)Br)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCO2 1781331148 DSERMEPQRCNUDZ-LNSITVRQSA-N 424.267 -0.843 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccn(C)c1=O)CCO2 1783933502 MIZWKKIMJMBSKS-HXUWFJFHSA-N 419.482 -0.798 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccc(O)nn3)C[C@@H]21)[C@H](O)CCl 1784093879 IQPPMPBSJFZBKB-RVMXOQNASA-N 414.846 -0.860 50 20 HBGD CCNC(=O)N[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796191405 HXCJZEPFIRRCPF-SJWGOKEGSA-N 416.287 -0.674 50 20 HBGD COC[C@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CO[Si](C)(C)C)C2 1797967662 NFHWOHPPGLBLJR-IVSAIRAKSA-N 415.563 -0.421 50 20 HBGD CN(CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](F)Br)C(=O)C(=O)O 1800161300 BXIKPEPVUJDYLB-PKIKSRDPSA-N 408.224 -0.142 50 20 HBGD CN[C@@H](CC(=O)N1CCCC12CN(C(=O)/C(C)=N/NC(=O)c1ccc[nH]1)C2)C(=O)O 1842950722 WHZWLFDCRNICLE-OFJBCHTGSA-N 418.454 -0.614 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844300331 ZJLIJMKAGMJREQ-FNLSEGDXSA-N 415.255 -0.288 50 20 HBGD Cc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1C 732308362 YCROPMLXSVXNGS-CYBMUJFWSA-N 417.509 -0.446 50 20 HBGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)CS[C@H]1CCS(=O)(=O)C1 734240719 SJTHKESEKYIVON-JTQLQIEISA-N 410.518 -0.238 50 20 HBGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1ccc(OCC(=O)OC)cc1 740812264 AFQPPDZRXCMMHO-UHFFFAOYSA-N 401.441 -0.147 50 20 HBGD C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 742476572 AUDYXACQRXEEMG-LRZXTXFSSA-N 405.382 -0.097 50 20 HBGD Nc1c(O)nc(O)nc1C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 746092281 IIPAWGFDNVJJHB-UHFFFAOYSA-N 401.427 -0.557 50 20 HBGD COc1ccc(NCC(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)cc1 755676851 DAITWSPFSHLUFB-LLVKDONJSA-N 410.456 -0.645 50 20 HBGD NC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)COc2ccc(F)cc2)cc1 763839195 YWLCFVGTFFURIV-UHFFFAOYSA-N 404.354 -0.145 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(F)ccc1OC(F)F 764230349 HHIVQRDMOMPKQM-LURJTMIESA-N 412.346 -0.549 50 20 HBGD Cc1ccc(-c2cc(C(=O)NNC(=O)CNS(=O)(=O)c3cn(C)cn3)n[nH]2)cc1 768848069 NTBBHQNZXZXDSD-UHFFFAOYSA-N 417.451 -0.142 50 20 HBGD Cn1ncc2c(O)nc(NNC(=O)NCCN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)nc21 770412273 LDBZOLSPVJYBPH-FSZOTQKASA-N 412.410 -0.498 50 20 HBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 772040756 HAPYSRLVYYMPKN-JTQLQIEISA-N 407.427 -0.686 50 20 HBGD CN(C)CC(=O)NNC(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 775600180 CBFNECPIKDBNGE-UHFFFAOYSA-N 412.516 -0.273 50 20 HBGD Cc1ccn(C[C@@](C)(O)C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)c(=O)c1 790535491 JUMQFGFYOSGNPZ-GOSISDBHSA-N 407.448 -0.228 50 20 HBGD CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1cc([N+](=O)[O-])ccc1N 814877282 LLYPXVMGHAEXDE-UHFFFAOYSA-N 414.382 -0.536 50 20 HBGD O=C(COc1ccc(N2CCCC2=O)cc1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919889553 OCXOTHXXLGSNJL-GFCCVEGCSA-N 410.452 -0.290 50 20 HBGD CC(C)=C[C@@H]1[C@@H](C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1(C)C 920489227 JJRIQIGHIXGAPE-YPMHNXCESA-N 402.455 -0.181 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC=CO3)C2)C1 1778985577 UKMHFYKNXXWFQO-FXAWDEMLSA-N 400.240 -0.497 50 20 HBGD CN(C)C(=O)NCC(=O)N1CCO[C@]2(CCN(C(=O)CO[Si](C)(C)C)C2)C1 1779294891 RCWWCYMLXOOBIH-KRWDZBQOSA-N 400.552 -0.061 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)CCN3CCOCC3)CCO2)C1 1783875457 HYNIUAIJNYTBHG-MAUKXSAKSA-N 403.907 -0.208 50 20 HBGD Cn1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)n1 1786979387 CNSBASYUGPMTTF-ZVZYQTTQSA-N 412.255 -0.993 50 20 HBGD C=CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798439748 BQAZJYGSGMKNSR-FQUUOJAGSA-N 414.466 -0.372 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CC[C@@H](CNC(=O)[C@H]2C[C@@H](O)C2)[C@@H]1c1cccnc1 1809506135 SFBLVOOCHYWMRY-XEYPJELSSA-N 423.278 -0.148 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCCC2(CCN(C(=O)c3cc(O)n[nH]3)CC2)C1 1809976926 YSNXBRAOAOMADQ-UHFFFAOYSA-N 412.255 -0.046 50 20 HBGD Cc1onc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1C 1830726316 QBAGEJNXBLZMCI-DYVFJYSZSA-N 401.847 -0.039 50 20 HBGD CCc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)no1 1830732044 PTTOIMZHBIFLJM-PBHICJAKSA-N 401.847 -0.093 50 20 HBGD O=C(CCNS(=O)(=O)c1cccnc1)NNC(=O)c1n[nH]c(=O)c2ccccc12 32671513 FVCDROQXTBKSBN-UHFFFAOYSA-N 416.419 -0.552 50 20 HBGD O=C(NNS(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1)N1CCOCC1 726766869 PMGKVPJXERPEOK-UHFFFAOYSA-N 404.470 -0.538 50 20 HBGD C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)c3cnn[nH]3)cc2)C[C@@H](C)O1 729455642 PWFCITHIIMDQGM-PHIMTYICSA-N 408.440 -0.323 50 20 HBGD COc1ccnc(NNC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)n1 733891856 UKBOEQNPYGWZJA-SNVBAGLBSA-N 406.424 -0.371 50 20 HBGD COc1ccccc1CC(=O)NNC(=O)[C@@H](C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 744363697 XQGDXCMZBVFSJO-ZPWNPBNNSA-N 401.419 -0.064 50 20 HBGD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1 758148070 JLIVJXDOSINTLV-JTQLQIEISA-N 406.442 -0.109 50 20 HBGD CC(C)CC(=O)NNC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 763889067 VVNMPIVLYYPEDB-CHWSQXEVSA-N 408.459 -0.349 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(CC(F)(F)F)cc1 764227669 PUMRIAHKLXBHLJ-QMMMGPOBSA-N 410.374 -0.185 50 20 HBGD O=C(CNC(=O)c1cccnc1)NNC(=O)C1CCN(C(=O)N2CCCC2)CC1 764342888 JLINVMYRKKCLIR-UHFFFAOYSA-N 402.455 -0.113 50 20 HBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 778443393 PFFUTTAFHQJGBE-UHFFFAOYSA-N 423.382 -0.008 50 20 HBGD Cn1nnc2c1C[C@H](C(=O)OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)CC2 811346585 WKIZYCADXXHMCS-LLVKDONJSA-N 402.367 -0.167 50 20 HBGD C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1)C2=O 919885463 PDEKLKMYMAWSNW-UVWXRNBGSA-N 415.472 -0.995 50 20 HBGD O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)NNC(=O)CN1C(=O)CNC1=O 1116296675 YMBODABEQYPWOO-UHFFFAOYSA-N 422.873 -0.843 50 20 HBGD Cn1cc(S(=O)(=O)NNC(=O)c2cnccn2)cc1C(=O)NCC(F)(F)F 1116484529 XSFPADHQSZEPTO-UHFFFAOYSA-N 406.346 -0.270 50 20 HBGD Cc1c(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)cnc2c1c(=O)n(C)c(=O)n2C 1326100743 ZGIDSTIDJLRLGP-NSHDSACASA-N 409.468 -0.953 50 20 HBGD Cc1nc(C)c(C(=O)N2CC[C@@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)o1 1779586383 IAPAYFAGYMLXGP-FQEVSTJZSA-N 413.239 -0.271 50 20 HBGD CS(=O)(=O)CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781328122 ISTGGXPWVDBCMB-ZYHUDNBSSA-N 401.254 -0.449 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)[C@H]1C[C@]1(F)Cl 1791366344 AVNZUIRNGKYOQS-XMFUBXPQSA-N 424.665 -0.116 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cccs1 1794620752 TZRKGLAFPZWHND-XOIINTDNSA-N 400.265 -0.055 50 20 HBGD CC[C@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2 1796319439 NAIOJBOWVNEHJB-NOHGZBONSA-N 405.293 -0.192 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@H](N)C(N)=O)C2 1799274814 IGDMBLPXYGEFQM-NWPKGIRNSA-N 409.314 -0.595 50 20 HBGD O=C1CC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](F)Br)CN1 1799343398 URTHUBLYGRKAKS-UWHIDBLNSA-N 406.252 -0.207 50 20 HBGD COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)nc1 1801011506 RBTGBBJHOWKHBC-HBCWATKFSA-N 419.482 -0.334 50 20 HBGD CCCNC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1831193634 XZMRGVHXBLEHJA-RDTXWAMCSA-N 419.906 -0.651 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnsn3)CCO2)C1 1833536386 WHXMAHOMMLUMGA-NHYWBVRUSA-N 404.876 -0.138 50 20 HBGD O=C(c1cc(O)ccc1O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839445730 IWQNWEVMHGMJFL-YJBOKZPZSA-N 414.842 -0.233 50 20 HBGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1839865449 BKOLOMXDUCMACE-WBMJQRKESA-N 420.304 -0.118 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCOCC3)C2)C1 1840151485 DUHJYELTRVLYCX-CRAIPNDOSA-N 419.906 -0.971 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C(/C)C(=O)O)C2)C1 1840156467 PPMKLGXRXGFAGX-ZVDLLJIASA-N 404.847 -0.273 50 20 HBGD CC(C)/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840624916 QDSQLRZFEPAYTG-IRUYWQDXSA-N 416.283 -0.351 50 20 HBGD NC[C@H](C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccccc1 1842970248 MMSNJDJAYJKLTJ-IBGZPJMESA-N 407.279 -0.074 50 20 HBGD N[C@@H](Cc1cccnc1)C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011144 VTTTZVFVJANBNO-SFHVURJKSA-N 408.267 -0.852 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccccc1OC(F)(F)F 728509305 BWBLBGATVJPAMG-ZETCQYMHSA-N 405.376 -0.168 50 20 HBGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 734239371 NPHUTNZJBZRXNY-QGZVFWFLSA-N 412.447 -0.438 50 20 HBGD Cn1cc(C(=O)NNC(=O)COc2ccc(Br)cc2)c(=O)n(C)c1=O 734990732 SDKQODIFVXIKET-UHFFFAOYSA-N 411.212 -0.314 50 20 HBGD O=C(CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)[C@H]1COc2ccccc2O1 742469900 KRCFOOXHFBVPBM-ZJPZJRRFSA-N 415.402 -0.474 50 20 HBGD NC(=O)c1cc(S(=O)(=O)NCC(=O)NNc2c(F)c(F)nc(F)c2F)c[nH]1 746096548 VCLPLGJAJWBVND-UHFFFAOYSA-N 410.309 -0.513 50 20 HBGD CCn1nc(C(=O)NNC(=O)NCCS(=O)(=O)NC(C)C)c2ccccc2c1=O 746972974 PZKMAZKMDJUWHC-UHFFFAOYSA-N 424.483 -0.312 50 20 HBGD Cc1nc(S(=O)(=O)NCCC(=O)OCC(=O)NNC(=O)c2ccccc2)cn1C 750621060 RPJLLUDWTJYOSR-UHFFFAOYSA-N 423.451 -0.599 50 20 HBGD C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNC(=O)c1ccc2c(c1)OCCO2 755089811 HBADYRJXBZMSCE-SNVBAGLBSA-N 409.424 -0.681 50 20 HBGD CCn1c(NNC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)nc2ccccc2c1=O 755114451 ZLKQOKLTWLHNRE-NSHDSACASA-N 419.467 -0.040 50 20 HBGD C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NNC(=O)C(=O)Nc1ccccn1)C2=O 758838104 BCJDIIPMJSAYKB-VOJFVSQTSA-N 402.411 -0.332 50 20 HBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N[C@H](C)COC)cc1 764317880 SQLDHNFKCFEPQN-LLVKDONJSA-N 416.456 -0.878 50 20 HBGD NC(=O)[C@@H]1CC(C(=O)NNC(=O)CNC(=O)c2cccnc2)=NN1c1ccccc1 764344760 IYUMWRGDNXWQFM-HNNXBMFYSA-N 409.406 -0.921 50 20 HBGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1cccc(-c2n[nH]c(C3CC3)n2)c1 764429826 NMURDVAAEWMCOX-CYBMUJFWSA-N 400.395 -0.150 50 20 HBGD COCCOc1c(Cl)cccc1NC(=O)C(=O)NNC(=O)[C@H]1COCCO1 764432851 JYNPYBGCKLXVRL-GFCCVEGCSA-N 401.803 -0.134 50 20 HBGD CCN(CC)C(=O)COc1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)c1 764435508 WCURUFOBJATWPV-HNNXBMFYSA-N 422.438 -0.565 50 20 HBGD CO[C@H](C)CC(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 766637081 WOULXOYRUINSKE-OAHLLOKOSA-N 412.512 -0.126 50 20 HBGD CCOC(=O)c1cnc(NNC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)nc1C 778421433 MSTAQUYIZDBMOD-UHFFFAOYSA-N 413.394 -0.336 50 20 HBGD COC(=O)c1cc(F)ccc1NC(=O)C(=O)NNC(=O)CNC(=O)c1ccco1 784004809 VPALMQDKOLBYQU-UHFFFAOYSA-N 406.326 -0.279 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(C2(C)CCCC2)on1 789734510 CICUEPZIRSJIJC-SECBINFHSA-N 401.445 -0.470 50 20 HBGD O=C(NCCn1ccnc1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 915905347 NBIZVSZORWXENF-UHFFFAOYSA-N 422.467 -0.452 50 20 HBGD O=C(Cn1ccncc1=O)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781333634 IKQQJHBNPBVWKA-ZFWWWQNUSA-N 417.235 -0.236 50 20 HBGD C[C@@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1783540405 WAUBCZWDKMPIJD-MLGOLLRUSA-N 419.320 -0.027 50 20 HBGD NC(=O)c1nccnc1C(=O)N1CCO[C@@]2(CCN(C(=O)C(Cl)Cl)C2)C1 1783947107 ZBIUGWPYAWDORR-OAHLLOKOSA-N 402.238 -0.177 50 20 HBGD Cn1nccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984381 BRIXVPKEFOXBTB-ZVZYQTTQSA-N 412.255 -0.993 50 20 HBGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)n3)C[C@@H]21 1791253947 FZLPKTCKJVWTCX-KQXIARHKSA-N 414.846 -0.265 50 20 HBGD C[C@@](O)(CC(=O)O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1791279822 FNJPZMKQPQVKKP-SMXCXOSKSA-N 406.863 -0.818 50 20 HBGD CN(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(Cl)Cl)[C@H]2C1)C(=O)C(=O)O 1791296215 NMIDOLMDGBTYQT-GUBZILKMSA-N 410.254 -0.687 50 20 HBGD CC(C)(C)OC(=O)NC[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Cl)C2 1792887955 NHHDGZNYEABLCV-FPYNETTCSA-N 423.869 -0.004 50 20 HBGD CCCNC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1793462846 NKQMEWDGRVCSLZ-BCDXTJNWSA-N 415.299 -0.075 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccncc1)C2)c1ccc(B(O)O)cc1 1795734954 ANUJPGAUXMBQIV-XEMDLRDOSA-N 409.251 -0.793 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnn2ccncc12)c1cccc(B(O)O)c1 1797596746 BLZDASNHWVRWHG-BJWYYQGGSA-N 419.250 -0.025 50 20 HBGD CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797748564 IOGRGKNRWNNMOR-VZAMPYOESA-N 421.523 -0.157 50 20 HBGD C=CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Br 1799350111 QNTFRESFJXYEPQ-VKISENBKSA-N 406.252 -0.043 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CC[C@@H](CNC(=O)[C@H]2C[C@@H](O)C2)[C@H]1c1cccnc1 1809504167 DWNLKDMLCWHABN-RAUXBKROSA-N 423.278 -0.148 50 20 HBGD O=C(CN1C(=O)C=CC1=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](O)CCl)[nH]n1 1822526084 CKXCSMYQSFHROU-NWDGAFQWSA-N 409.830 -0.074 50 20 HBGD NC(=O)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827053631 WKUHTIHAKZBYDQ-SFHVURJKSA-N 415.299 -0.135 50 20 HBGD Cc1nnsc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830727838 HSAGRMPVZNXZQU-ABAIWWIYSA-N 404.876 -0.484 50 20 HBGD O=C(c1ccnc(Cl)n1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830730502 ARUXJLPAJOAIJE-BLLLJJGKSA-N 419.265 -0.200 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn(C)c3)CCO2)C1 1834176343 LPMYMFAINPEYRA-WMLDXEAASA-N 400.863 -0.256 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnn3C)C2)C1 1840150599 OCAMBSAXYWYQJC-CXAGYDPISA-N 400.863 -0.256 50 20 HBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCCN2C(=O)CNC(=N)N)C1 1842883782 JPCGSDDOHWBVAJ-UHFFFAOYSA-N 418.410 -0.180 50 20 HBGD C[C@@H](CBr)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CC(=O)NC1=O 1847495147 ZFVXMSLUUAINDA-DCAQKATOSA-N 401.261 -0.229 50 20 HBGD O=C(CNC(=O)c1cccs1)NNC(=O)NNC(=O)[C@H]1COc2ccccc2O1 725873158 LCMUBOCZSVEQRG-GFCCVEGCSA-N 419.419 -0.321 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Cc2ccccc2Cl)n(C)c1=O 728825721 OFSWMGCJRWFMML-UHFFFAOYSA-N 404.814 -0.523 50 20 HBGD C[C@@]1(NNC(=O)NCCOc2ccc(S(C)(=O)=O)cc2)CCS(=O)(=O)C1 730067320 XAEGWJRSFPODDE-OAHLLOKOSA-N 405.498 -0.150 50 20 HBGD Cc1nc(S(=O)(=O)NCC(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)cn1C 750663377 NGEYKVYQAIWSTG-JTQLQIEISA-N 413.431 -0.239 50 20 HBGD Cc1cc(C)cc(OCC(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)c1 755035622 ACMRCBVAWOALGK-ZDUSSCGKSA-N 409.468 -0.070 50 20 HBGD Cc1noc(-c2ccccc2)c1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 773495615 DRWCNNPRKWEFNO-JTQLQIEISA-N 409.424 -0.326 50 20 HBGD CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)COc1ccccc1OC 786414299 KTVYGBSYYJTPHH-UHFFFAOYSA-N 419.394 -0.230 50 20 HBGD O=C(NCCNS(=O)(=O)c1ccc(Cl)cc1F)NNC(=O)C(=O)NC1CC1 799667211 ZFZADQLXCNMEAE-UHFFFAOYSA-N 421.838 -0.634 50 20 HBGD CN(C)c1ccc(NC(=O)NNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1 802120706 XVHRKNHTXZUZAF-IUODEOHRSA-N 423.495 -0.059 50 20 HBGD CC(C)N1C(=O)c2ccc(C(=O)NNC(=O)N3CCN(C)CC3)cc2S1(=O)=O 807382642 MSSVLRHWWANPDT-UHFFFAOYSA-N 409.468 -0.159 50 20 HBGD CC(C)C(=O)N[C@@H](CO)C(=O)NNC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 813457137 ZIFXIWSMZSMPHN-ZDUSSCGKSA-N 415.491 -0.151 50 20 HBGD COCCOc1ccc(S(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1C 914876641 HJLIGDOMPFVLIA-GFCCVEGCSA-N 406.482 -0.236 50 20 HBGD CCS(=O)(=O)N(C)CCCNC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 916580345 PIPBZXFBPJSXOZ-UHFFFAOYSA-N 424.483 -0.451 50 20 HBGD COCCS(=O)(=O)CC(=O)NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 1116087834 NFBPAUJEOQJEED-UHFFFAOYSA-N 407.489 -0.158 50 20 HBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2cccc(=O)n2C)CC1 1116413377 MHNWNDVIMYKBTC-UHFFFAOYSA-N 406.468 -0.527 50 20 HBGD Cc1cc(CC(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)on1 1783933241 FIEMLQWSDQCZHX-LJQANCHMSA-N 407.471 -0.272 50 20 HBGD CCc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)n(C)n1 1783935453 UKYFXNQZMQXHDU-FQEVSTJZSA-N 420.514 -0.201 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@H]2C1 1786891089 SAJNGQATYYQWSA-QLLRCSDMSA-N 423.341 -0.205 50 20 HBGD C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1788576326 PJWRZWYXAVIKDZ-LUKYLMHMSA-N 424.542 -0.088 50 20 HBGD Cc1cc(NC(=O)CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)CCl)C3)no1 1796418451 WLBBKUDVTMXUNT-AZKPJATDSA-N 414.846 -0.499 50 20 HBGD Cc1cc(C(=O)NCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](F)Cl)C3)no1 1797828084 JQNCDEIPHXUYBM-DJBIQUGXSA-N 402.810 -0.163 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2n(n1)CCCO2)c1cccc(B(O)O)c1 1798098414 WOAVTFGMNLFAAT-BJWYYQGGSA-N 424.266 -0.089 50 20 HBGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC(=O)C1 1801070653 HKLLGYLNIPWWCH-XJGUIPMBSA-N 402.289 -0.114 50 20 HBGD CN1CCN(CC(=O)N2CC[C@H](CNC(=O)[C@@H](O)CCl)[C@H]2c2cccnc2)CC1 1803142903 MLLACDZDEQDVPB-ZIFCJYIRSA-N 423.945 -0.066 50 20 HBGD Cn1cnc(C(=O)N2CCC3(CCCN(C(=O)c4ccc(B(O)O)cc4)C3)CC2)n1 1809968291 QLTIYPUKJGYXKW-UHFFFAOYSA-N 411.271 -0.347 50 20 HBGD NC(=O)[C@H](N)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](O)CCl)n[nH]1 1814869812 CAYMQXOYYYTFAG-JLLWLGSASA-N 400.867 -0.406 50 20 HBGD C[C@@H](NC=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1822888914 OANJDLJTKKPNLJ-ZWNOBZJWSA-N 416.268 -0.817 50 20 HBGD Cc1noc(C)c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830724845 ISQUVSGUFLMQSJ-CXAGYDPISA-N 401.847 -0.039 50 20 HBGD O=C1CC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)[C@H](F)Br)CCO3)C2)N1 1839199288 LWKDVFZZFTXQIZ-GMXABZIVSA-N 422.251 -0.588 50 20 HBGD CCC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CNC(=O)C1)CCO2 1839868013 RBGSICVPVMZUPQ-SUNYJGFJSA-N 401.891 -0.014 50 20 HBGD CS(=O)(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840190684 IGIVYXHWOUQVHM-CQSZACIVSA-N 417.311 -0.319 50 20 HBGD COc1cc(C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)nn1C 1844835904 ZCHZCPUOUGTHDL-UHFFFAOYSA-N 413.438 -0.442 50 20 HBGD C[C@H]1CCCC[C@@H]1NC(=S)NNC(=O)CSc1nn(C)c(=O)n(C)c1=O 18945231 CSDMKVZYHYVCID-UWVGGRQHSA-N 400.530 -0.355 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2ccc(O)c([N+](=O)[O-])c2)n(C)c1=O 252637597 XUDPNMTWVBYRDU-UHFFFAOYSA-N 401.339 -0.802 50 20 HBGD NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)NNC(=O)Cc3ccccn3)CC2=O)c1 746220796 MUFQNPROGKIJOD-LBPRGKRZSA-N 417.447 -0.528 50 20 HBGD CNS(=O)(=O)C[C@@H]1CCCN1C(=O)NNC(=O)CNC(=O)c1cccs1 750277019 STYRLDNJXWJGIG-JTQLQIEISA-N 403.486 -0.768 50 20 HBGD Cn1c(O)ncc(C(=O)NNC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)c1=O 751583587 SRVRAQCJCYHFRA-UHFFFAOYSA-N 410.431 -0.171 50 20 HBGD C[C@@H]1CN(c2ccc(NC(=O)C(=O)NNC(=O)[C@H]3COCCO3)cc2)C[C@@H](C)O1 764426697 WBBGRDDFYWIFNU-XJKCOSOUSA-N 406.439 -0.199 50 20 HBGD CC(C)OCCS(=O)(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765117051 AVCLVFSPSIJUIA-UHFFFAOYSA-N 412.512 -0.180 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Cc2cccc(F)c2F)n(C)c1=O 765730839 OWMREKDXEFKNFE-UHFFFAOYSA-N 406.349 -0.898 50 20 HBGD Cc1cc(C(=O)NNC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)n[nH]1 768278460 NFFCSYHRLKIODE-UHFFFAOYSA-N 409.424 -0.381 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@@H](C)c2ncn(C)n2)cc1 780692270 XSHKGVHSMSGMFD-LBPRGKRZSA-N 409.472 -0.164 50 20 HBGD O=C(NNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)c1ccc(Cl)cc1O 918358973 FXNXUGXTWVSJLI-MWLCHTKSSA-N 415.855 -0.158 50 20 HBGD O=C(CS(=O)(=O)CCCc1ccccc1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919886907 WHDMTGUDAWTQCI-CQSZACIVSA-N 417.509 -0.449 50 20 HBGD CN(C)C(=O)Cn1cc(C(=O)OCC(=O)NNC(=O)c2cccc(Cl)c2)nn1 920641943 CBYYYFNBXSFYNU-UHFFFAOYSA-N 408.802 -0.362 50 20 HBGD Cc1nnnn1/C(=C\c1ccccc1)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 920746587 XWAXUGWMZGVVKN-GFAPJHNFSA-N 405.440 -0.503 50 20 HBGD C[C@H](CN1CCN(C)CC1)NC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 1318297130 GSBUXXFUCHOEMS-CYBMUJFWSA-N 401.471 -0.487 50 20 HBGD Cc1cnn([C@@H](C)C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1 1783937070 FOFQSSKIDUXRNY-JXFKEZNVSA-N 420.514 -0.045 50 20 HBGD COC(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)cn1 1792978153 HBDMXWRCPMJSRU-AYRXBEOTSA-N 411.842 -0.329 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(F)(F)F)C2)c1ccc(B(O)O)cc1 1795734530 KVVLTZKRVZNFBS-YWVIFJGQSA-N 414.189 -0.088 50 20 HBGD CCc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)n[nH]1 1795954781 RIKHJRMCEXLKOL-ZSBFGKGUSA-N 412.255 -0.831 50 20 HBGD COCCn1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](Cl)COC)C3)n1 1796599715 SGSRFJIOMYWMMY-FQLMCAECSA-N 414.890 -0.014 50 20 HBGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1nc(N)n[nH]1 1797628097 PDGDIYOXHPGZHH-XHSYRHOGSA-N 415.292 -0.308 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccc(O)nn1)C2)C(Cl)Cl 1801016788 QJXGXKLORUHUJQ-YFKFIEJBSA-N 405.238 -0.046 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCOC1 1801512928 JAWVITFMBOFIGM-LIPWNHDFSA-N 417.466 -0.254 50 20 HBGD CC[C@H](O)C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1802998642 BYSHJJPEKIHQPR-NEWSRXKRSA-N 411.267 -0.148 50 20 HBGD N=C1NCCN1CC(=O)N1CC[C@H](CNC(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1 1803139000 QNNDPTCNIVHTBG-YCPHGPKFSA-N 408.890 -0.473 50 20 HBGD O=C(CC1CCOCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830724219 WULCVKKHFDINBR-CRAIPNDOSA-N 404.891 -0.141 50 20 HBGD COc1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cn1 1830725086 LBOCGWFVFTZLOZ-SUMWQHHRSA-N 414.846 -0.845 50 20 HBGD O=C(c1cncc(F)c1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1834352656 HLSVGGIRKMNZCI-YOEHRIQHSA-N 401.822 -0.110 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCNC3=N)C2)C1 1839144278 UEAWBGFIJIWIPH-CXAGYDPISA-N 401.895 -0.700 50 20 HBGD CCNC(=S)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](Cl)CC)CCO2 1839148415 XSYJNGARABPBGY-SUMWQHHRSA-N 420.963 -0.056 50 20 HBGD CC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1839202539 JDNLGGOCPVQYFU-HCKVZZMMSA-N 424.267 -0.342 50 20 HBGD CCNC(=S)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](Cl)CC)C2)C1 1839655249 NPANMSQLTZOKNS-DYVFJYSZSA-N 420.963 -0.056 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3noc(C)n3)C2)C1 1840150769 RMHIUYRFQHMEGV-GUYCJALGSA-N 416.862 -0.369 50 20 HBGD Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)no1 1840183426 DPCGJNYTHPEKBF-IBGZPJMESA-N 423.470 -0.574 50 20 HBGD C[C@H](CBr)C(=O)N1CC2(CCCN2C(=O)C[C@H]2NC(=O)NC2=O)C1 1841957921 MSOBYQPJATVZBX-NXEZZACHSA-N 401.261 -0.181 50 20 HBGD NC[C@H](C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1)c1ccccc1 1843013334 IKRYIIJTIDUWNM-IBGZPJMESA-N 407.279 -0.074 50 20 HBGD COc1ccc(C(=O)NNC(=O)COC(=O)CN2C(=O)NC(=O)C2(C)C)cc1OC 735944064 GTHDUJAAKZVXNX-UHFFFAOYSA-N 422.394 -0.662 50 20 HBGD COCCN1C(=O)c2ccc(C(=O)NNc3ncnc4[nH]cnc34)cc2S1(=O)=O 743469556 SSLIHMRGMCWCFN-UHFFFAOYSA-N 417.407 -0.099 50 20 HBGD O=C1C[C@H](Cc2ccc(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)cc2)C(=O)N1 746015421 VJJBRZNCGWSFQK-HNNXBMFYSA-N 419.401 -0.058 50 20 HBGD O=C(NNC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1)c1nnc(O)c2ccccc12 749866084 FOYCCCMFYWPIEK-CQSZACIVSA-N 414.403 -0.174 50 20 HBGD CNS(=O)(=O)[C@@H]1CCN(CC(=O)NNC(=O)c2ccc(OC)c(OC)c2)C1 750189960 DBAINBVQCBVELW-GFCCVEGCSA-N 400.457 -0.912 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@@H](C)C[S@](C)=O)cc1 753356045 BDORJXYXXGYFGN-VDBVYFBLSA-N 404.514 -0.287 50 20 HBGD CC(=O)NC[C@@H]1CCn2ncc(C(=O)NNC(=O)CCN3C[C@H](C)O[C@H](C)C3)c2C1 754173410 DRGSAPHRXZONTE-IJEWVQPXSA-N 420.514 -0.158 50 20 HBGD COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNC(=O)c3cc(C)[nH]n3)C2=O)cc1 765585785 GUGROPQDFAZGLI-GOSISDBHSA-N 400.395 -0.045 50 20 HBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1 772160604 PJMZRXURDFQJDU-NSHDSACASA-N 413.452 -0.349 50 20 HBGD COc1ccc(C(=O)NNC(=O)CN2CCN(CC(=O)NC(C)C)CC2)cc1OC 779569059 ANMMBMZRPUTSHJ-UHFFFAOYSA-N 421.498 -0.393 50 20 HBGD CCS(=O)(=O)Nc1ccc(S(=O)(=O)NNC(=O)NCC(=O)OC)cc1F 779846111 WBRIJDDBSXSDEC-UHFFFAOYSA-N 412.421 -0.747 50 20 HBGD O=C(NNc1ccc(-n2ccnc2)nn1)N[C@@H]1CCN(CCN2CCOCC2)C1 805189291 URJHGAOBGLMINL-OAHLLOKOSA-N 401.475 -0.305 50 20 HBGD COCc1nc(Cl)cc(NNC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)n1 807236561 BFIIHSQCARTUCC-QMMMGPOBSA-N 403.852 -0.180 50 20 HBGD Cc1ccc(NCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)c1 913164240 AVGRVRDDTZHYCL-UHFFFAOYSA-N 413.438 -0.690 50 20 HBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)N1CCOCC1)C2)C(Cl)Cl 1782218117 UTRSXNPYKJPAAU-SRCQZFHVSA-N 424.325 -0.045 50 20 HBGD C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CN(C)NC(=O)NCc1ccccc1)CCO2 1783052527 AOSYPCKEZORPOD-NRFANRHFSA-N 413.478 -0.204 50 20 HBGD COCCn1nccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784091195 XEJZIDUKUDLSMX-SDADXPQNSA-N 414.890 -0.278 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)c1cccn2c(O)nnc12 1787384916 MRLLOKLTYXMUBI-PYJNHQTQSA-N 423.857 -0.372 50 20 HBGD Cc1nnc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnccc2C(=O)NN)C3)o1 1796233219 MOXQIQLQKLZTLC-CLLJXQQHSA-N 413.438 -0.129 50 20 HBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC1(O)CCC1)C2 1797753939 DWZDETZQNGBMHH-FVCICTRLSA-N 417.466 -0.807 50 20 HBGD COC[C@@H](NC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCC(=O)NN(C)C)C2 1798643372 IPDFCIGYVWJYJN-QKPAOTATSA-N 411.503 -0.851 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)c1c(O)cc(O)cc1O 1799654853 GIJMAPOJSSXRMT-YPSFTXJRSA-N 400.815 -0.394 50 20 HBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCCS1(=O)=O 1800395499 ITARGLHARYTJRF-XVIXHAIJSA-N 408.904 -0.593 50 20 HBGD CN(C)CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnccc1C(=O)NN)CC2 1813670860 JMZSOHIWCKYEQH-JTQLQIEISA-N 417.495 -0.071 50 20 HBGD C[C@@H](NC=O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1820875018 FCGMDBPEDWRAGQ-WBMJQRKESA-N 413.243 -0.470 50 20 HBGD Cc1cccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)n1 1830720413 ZKSRLAHJJZPOAD-LPHOPBHVSA-N 411.886 -0.011 50 20 HBGD N[C@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2)c1ccccn1 1830722486 CHHIQUHXHTZFHP-RLFYNMQTSA-N 412.874 -0.863 50 20 HBGD CCS(=O)(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1831337464 AOEBVVAXQBZTFT-TZMCWYRMSA-N 400.856 -0.588 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)OC)C2)C1 1840155468 DAMMRGCEXCEZIN-LRDDRELGSA-N 407.851 -0.947 50 20 HBGD Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NNC(=O)C(=O)NC2CC2)ccc1[N+](=O)[O-] 726523984 KDJTWSLDKPEYBB-CQSZACIVSA-N 403.395 -0.066 50 20 HBGD Cc1cc(=O)c(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)nn1-c1ccccc1F 729274790 CZYASKANWGXOKZ-JTQLQIEISA-N 411.415 -0.621 50 20 HBGD CSc1nc2nc(C)c(CC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c(C)n2n1 729275047 JWRYHZLOIQIAQR-QMMMGPOBSA-N 415.501 -0.909 50 20 HBGD CN1CC(=O)N(CCCC(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)C1=O 734239571 SFBGMAXBZLVVPL-UHFFFAOYSA-N 400.436 -0.484 50 20 HBGD O=C(CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NNC(=O)[C@H]1COc2ccccc2O1 742471014 ZOYWNHADAHVTIF-GLKFPVFTSA-N 401.375 -0.864 50 20 HBGD CC(=O)Nc1ccc(Cl)c(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 764226034 DQFHLXGQNVUFDM-ZETCQYMHSA-N 419.847 -0.678 50 20 HBGD CCN1CCN(Cc2ccc(NC(=O)C(=O)NNC(=O)[C@H]3COCCO3)cc2)CC1 764423929 DOLHVCBQDSPAHF-QGZVFWFLSA-N 419.482 -0.675 50 20 HBGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1 764426167 UBRDHILIDUVHJR-SWLSCSKDSA-N 411.386 -0.115 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1C 769690698 AZDQZBZVZYEGHL-UHFFFAOYSA-N 417.447 -0.113 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCN(C(=O)OCc2ccccc2)C1 770424627 RTYQUNUHQNOBIE-OCCSQVGLSA-N 412.468 -0.270 50 20 HBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 772138324 DKHUESWXSVTKMA-JTQLQIEISA-N 416.412 -0.296 50 20 HBGD COc1c([N+](=O)[O-])ccc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)c1O 773032678 OWALEFCBHKZQOS-UHFFFAOYSA-N 424.395 -0.656 50 20 HBGD NS(=O)(=O)c1ccsc1C(=O)NNC(=O)c1csc(N2CCOCC2)n1 800575102 ZANLYUZCYWXYCU-UHFFFAOYSA-N 417.494 -0.237 50 20 HBGD CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)NNC(=O)N(C)C)ccc2F)CC1 801143292 AAJHMHOEWDCDFC-UHFFFAOYSA-N 415.447 -0.406 50 20 HBGD Cc1nc2ccccn2c1C(=O)NNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 914830722 SZOHSZVBGSFBEZ-OLZOCXBDSA-N 419.463 -0.561 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCCCO1)CCO2 1779029849 ZNJQARBZYFKPLA-OXQOHEQNSA-N 417.466 -0.302 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCC=CO1)CCO2 1779032285 MQFCGTLYIXVZOL-OXJNMPFZSA-N 415.450 -0.179 50 20 HBGD C[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CN3CCN(C)CC3)CCO2)C1 1783533729 GFTFZWLTFUFEMD-YOEHRIQHSA-N 417.348 -0.153 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnco3)[C@H]2C1 1784753223 WCCLIIIAUJCILD-CQDKDKBSSA-N 414.422 -0.420 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CC3(F)F)C[C@@H]21)c1ccc(B(O)O)cc1 1786979659 ICWUJBQDRVDRHB-TUUVXOQKSA-N 408.210 -0.385 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)c1ccccc1 1795058329 VHEZXSKLIPBJPF-HGKCTWBKSA-N 416.478 -0.168 50 20 HBGD Cc1cc(C)nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(B(O)O)cc2)c1 1795734324 DZTZASGMFUITCG-XEMDLRDOSA-N 423.278 -0.105 50 20 HBGD O=C(Cc1ccsc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1795828463 CSSWYAVDJCTJLE-HGKCTWBKSA-N 414.292 -0.126 50 20 HBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(CO)on1 1799463536 GETLRMRDDZMGJQ-ZSBIGDGJSA-N 414.422 -0.269 50 20 HBGD CC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc(C)c(O)nc1=O 1801971140 GUNYVYFCETURRQ-QVHKTLOISA-N 412.874 -0.136 50 20 HBGD O=C(CN(CCO)CCO)N[C@H]1CCc2nc(NC(=O)[C@H](F)Cl)sc2C1 1817134889 UBWZWYUUUWDKSL-ZANVPECISA-N 408.883 -0.124 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn(C)cn3)CCO2)C1 1834450981 LENVNMOOBPQLDC-GUYCJALGSA-N 400.863 -0.256 50 20 HBGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835931651 VWQRHVWPRJVKDY-QFBILLFUSA-N 424.690 -0.546 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1836211328 ZUOJTPRASGVBRO-CVEARBPZSA-N 420.297 -0.029 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](COC)NC(C)=O)C2)C1 1839145499 JVVOBXZZUOVFQA-HDMKZQKVSA-N 419.906 -0.389 50 20 HBGD C[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CSC(=N)N)C2)C1 1840032064 MSJRTATVSIBBFD-YGRLFVJLSA-N 423.333 -0.147 50 20 HBGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(N)=O)CCO2)C1 1840921623 IXVFELJFTQOGHO-NHYWBVRUSA-N 421.292 -0.715 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)C2CCC(CO)CC2)C1 1841905196 ZIFUZSGOMCFQMC-UHFFFAOYSA-N 400.284 -0.018 50 20 HBGD O=C(COCC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1)NCc1cccnc1 729629232 UKOBKTMDXVHQMA-UHFFFAOYSA-N 410.394 -0.849 50 20 HBGD O=C(NNC(=O)[C@@H]1CCCN(C(=O)COc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 741175455 LGOHFAVZKRAGMM-HUUCEWRRSA-N 423.491 -0.114 50 20 HBGD O=C(NNC(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2)C(=O)N1CCCC1 749601043 KXXVYIUUOVHRBH-CYBMUJFWSA-N 402.407 -0.210 50 20 HBGD Cc1cnn(-c2ccc(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc2F)c1 757652015 IQSWMYGHVQLTRK-JTQLQIEISA-N 419.460 -0.433 50 20 HBGD CS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)cn1 763808500 XDQKHXVMEMLNOE-UHFFFAOYSA-N 417.403 -0.478 50 20 HBGD COc1ccccc1-c1cc(C(=O)NNC(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)n[nH]1 765588931 UYVNXXJFDKDBBG-HJWRWDBZSA-N 424.417 -0.043 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@@H]2CCCc3ccccc32)n(C)c1=O 766641467 YLFCXGXVUNBCQJ-CQSZACIVSA-N 410.434 -0.299 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2nn(C)cc2[N+](=O)[O-])cc1 772906626 MZUMNJQHQCZAHU-UHFFFAOYSA-N 410.412 -0.282 50 20 HBGD COCCNS(=O)(=O)c1ccc(Br)c(C(=O)NNC(=O)CO)c1 777781332 OWZWPTIFNZMXPD-UHFFFAOYSA-N 410.246 -0.873 50 20 HBGD Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(S(=O)(=O)CBr)CC1 777832309 MCTHSIGCOOXGQQ-UHFFFAOYSA-N 410.250 -0.074 50 20 HBGD CCOC(=O)c1cnc(NNC(=O)CNS(=O)(=O)c2cn(C)c(C)n2)nc1C 778422226 MPWQRXGLRMDXHG-UHFFFAOYSA-N 411.444 -0.575 50 20 HBGD COc1ccc(C(=O)N2CCC[C@@H]2C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 798929035 KERMQOYCHZSNQC-UKRRQHHQSA-N 424.479 -0.183 50 20 HBGD CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)NNC(=O)C3CC3)ccc2F)CC1 801102374 OFOPNMMZXQGJTJ-UHFFFAOYSA-N 412.443 -0.151 50 20 HBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 920298993 XMHJHLSQZDONII-NSHDSACASA-N 420.513 -0.584 50 20 HBGD CC1(C)NC(=O)N(CCCNC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)C1=O 1340547609 DYYZXYFCCWTSMT-ZDUSSCGKSA-N 405.411 -0.123 50 20 HBGD CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1 1781855283 YQMAMSMGUASTOG-XWCIJXRUSA-N 421.878 -0.741 50 20 HBGD C[C@@](O)(CC(=O)O)CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2 1782202022 JLGPNBDUZOTYPN-COCCGSRQSA-N 420.890 -0.284 50 20 HBGD CC(=O)C[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1783823759 HCDIRVOFEPMTJG-XOBRGWDASA-N 402.256 -0.575 50 20 HBGD CC(C)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@@H]21 1783845982 KAGPBJPMQXPXDJ-AVGNSLFASA-N 414.890 -0.217 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1784117646 BXKHQNJYFHEWNX-DLBZAZTESA-N 418.277 -0.022 50 20 HBGD O=C(CCc1cnccn1)N1CC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1784558916 PXEJRIGVVVSQBK-OAQYLSRUSA-N 424.266 -0.767 50 20 HBGD Cc1ccnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)c1 1787576487 OIAKBKQQDGXQBU-QRFRQXIXSA-N 423.278 -0.023 50 20 HBGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@@H](N)C(N)=O)C2 1792868345 WKWWIKVKJZDBPP-YGEZULPYSA-N 419.320 -0.800 50 20 HBGD C[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2)N1C[C@H]2C[C@H]2C1 1798318562 OCOALHIRGQMJEY-PHSKQRLGSA-N 411.311 -0.042 50 20 HBGD C[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN)n1cncn1 1798443550 HCGKSICXWMDDMU-FQUUOJAGSA-N 412.454 -0.210 50 20 HBGD O=C(c1cc(=O)n2[nH]nnc2n1)N1CCC2(CCCN(C(=O)[C@H](O)CCl)C2)CC1 1805523795 VWHXPCNAKZUXQA-GFCCVEGCSA-N 423.861 -0.743 50 20 HBGD CN(C)C(=O)C(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1806940942 WHYQEBLJKMVXEB-SJLPKXTDSA-N 424.266 -0.831 50 20 HBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@H](O)CCl)[nH]n1)c1ccc(B(O)O)cc1 1817470717 WUOKZKRYPFEMRK-LSDHHAIUSA-N 420.662 -0.005 50 20 HBGD CN(C)CC(=O)N[C@@H]1CCc2nc(NC(=O)c3cnccc3C(=O)NN)sc2C1 1819796121 ZQJSJXOGBHKMNV-SNVBAGLBSA-N 417.495 -0.071 50 20 HBGD O=C1CN(CC(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H](O)CCl)CC2)C(=O)N1 1824178850 LSRGAYIVIWZKPV-KGLIPLIRSA-N 414.890 -0.242 50 20 HBGD COc1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cn1 1830725074 LBOCGWFVFTZLOZ-CXAGYDPISA-N 414.846 -0.845 50 20 HBGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCNC3=N)C2)C1 1831645409 CYTHPKLCONFOJN-KSSFIOAISA-N 415.922 -0.310 50 20 HBGD CC(=O)NCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1831687185 KVLWNPSIEIPBCJ-KDOFPFPSSA-N 419.906 -0.795 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnnn3C)C2)C1 1840150105 GTLODERBQGVBOB-LRDDRELGSA-N 401.851 -0.861 50 20 HBGD CCS(=O)(=O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840186795 PWPBJNHKAUQIJP-AWEZNQCLSA-N 417.311 -0.319 50 20 HBGD CCOC(=O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840882012 AGKAIAAXKNKEDK-UGSOOPFHSA-N 420.890 -0.368 50 20 HBGD O=C(NNC(=O)[C@H]1CCCN1C(=O)OCC(F)(F)F)N[C@@H]1CCS(=O)(=O)C1 727800858 ZKDYALHQVWYKEE-RKDXNWHRSA-N 416.378 -0.333 50 20 HBGD CC(C)(C(=O)NNC(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1 731222796 IFYAHXHCLHAZFM-CQSZACIVSA-N 410.496 -0.012 50 20 HBGD N=C1NC(=O)[C@H](CC(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)S1 744619727 WDTIXPJJLUVZLJ-NSHDSACASA-N 413.481 -0.293 50 20 HBGD COCCNS(=O)(=O)c1c[nH]c(C(=O)NNC(=O)Cn2cnc3ccccc32)c1 746093037 ALKMJCMRBKZQOJ-UHFFFAOYSA-N 420.451 -0.250 50 20 HBGD COc1cc(C)nc(NNC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)n1 746761161 JQXSUOALUNGUAJ-UHFFFAOYSA-N 415.458 -0.051 50 20 HBGD O=C(NNC(=O)c1sccc1S(=O)(=O)N1CCOCC1)C(=O)N1CCCC1 748247865 WOBNTBFRPCVHLH-UHFFFAOYSA-N 416.481 -0.848 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)c1 748524743 WYRGZKCLDQAXKG-LBPRGKRZSA-N 420.451 -0.526 50 20 HBGD Cc1nc(S(=O)(=O)NCC(=O)NNC(=O)c2cn(C)c3ccccc23)cn1C 750665363 XTYSYNRNMPGKCK-UHFFFAOYSA-N 404.452 -0.040 50 20 HBGD C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 755039021 PCIFWLLHWQIRKA-HZMBPMFUSA-N 409.424 -0.926 50 20 HBGD COc1ccc(F)c(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 757639550 YBZSMLWPFKLTAI-UHFFFAOYSA-N 419.373 -0.566 50 20 HBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1cc2n(n1)CCCO2 762087334 OCYFEYNMHPIRID-UHFFFAOYSA-N 412.450 -0.115 50 20 HBGD O=C(CN1CCC(N2CCS(=O)(=O)CC2)CC1)NNC(=O)c1ccc(F)cc1 766874191 OEXVQKBTUDFMAM-UHFFFAOYSA-N 412.487 -0.219 50 20 HBGD Cn1c(=O)c2cc(NC(=O)C(=O)NNc3cccc([N+](=O)[O-])c3)cnc2n(C)c1=O 784829201 OBYPZAWQOXZXEF-UHFFFAOYSA-N 413.350 -0.378 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)cc1C(=O)N(C)C(C)C 787550642 XAPFOHDKRSVKCI-OAHLLOKOSA-N 406.439 -0.023 50 20 HBGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c(F)c1 794582228 UXEPBDVZTXRYKB-VIFPVBQESA-N 409.417 -0.708 50 20 HBGD O=C(CN1CCCC1=O)NNC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 1119663649 UPWWQNRUIZHVTM-UHFFFAOYSA-N 409.468 -0.748 50 20 HBGD CC(C)O[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1779168309 YHMGBOPSQMJDKX-FOIQADDNSA-N 404.272 -0.377 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)C1 1781105149 BACBYEIRXXJSRK-GPMSIDNRSA-N 416.950 -0.294 50 20 HBGD CC[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](N)CCC(N)=O)CCO2)C1 1783342381 KWTOWLQVHBRJGA-MKBNYLNASA-N 419.320 -0.417 50 20 HBGD O=C(Cn1cnnn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](F)Br)C[C@@H]21 1787092163 AHKSNXBTBSVLTK-GMOBBJLQSA-N 405.228 -0.657 50 20 HBGD C[C@]1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(B(O)O)c4)C[C@@H]32)CCCN1 1789824875 ZREMWXNQUYBALM-QUJKESNLSA-N 415.299 -0.898 50 20 HBGD CN[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)Br)[C@H]2C1)C(=O)O 1791058246 UPFXJTNBKDDQOA-SJHCENCUSA-N 420.304 -0.188 50 20 HBGD CN[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CBr)C(=O)O 1792867412 ABPWQGZOCGZFQH-ROEYZRMQSA-N 420.304 -0.330 50 20 HBGD O=C1Nc2c(cccc2C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)C1=O 1792980874 ANGRCIQGHFHQLO-RDBQEKCUSA-N 421.837 -0.376 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1coc(Cl)n1)C2)c1cccc(B(O)O)c1 1795737265 MKTSNBXBPFRAFP-JJLQDPRZSA-N 419.630 -0.475 50 20 HBGD CC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 1799265690 LTVSBVGVCRJOMM-MIJXAVMKSA-N 408.846 -0.362 50 20 HBGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1)C1CC(O)C1 1803044175 SFBLVOOCHYWMRY-KTLDDFEXSA-N 423.278 -0.148 50 20 HBGD O=C(CN(CCO)CCO)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](F)Cl)CC2 1825324591 YXLYKWZUSHOJGT-NOZJJQNGSA-N 408.883 -0.124 50 20 HBGD CCc1oncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830724973 KQHLMHFULJVYDO-DYVFJYSZSA-N 401.847 -0.093 50 20 HBGD Cc1onc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1C 1831971983 WHFUJOKGGZWXCX-CXAGYDPISA-N 401.847 -0.039 50 20 HBGD O=C1CC[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H](F)Br)CCO3)C2)N1 1839199293 LWKDVFZZFTXQIZ-JVLSTEMRSA-N 422.251 -0.588 50 20 HBGD CNc1nsnc1C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1841051273 VODNAFARBLOUAI-UHFFFAOYSA-N 401.257 -0.610 50 20 HBGD CC(C)NS(=O)(=O)c1ccc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 16786040 HRGRAEWPLHMPLW-GFCCVEGCSA-N 403.482 -0.431 50 20 HBGD NC(=O)c1ccc(CC(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 753482901 PFMOAWOTTDEIMH-INIZCTEOSA-N 413.386 -0.141 50 20 HBGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 756164795 POKQUMVOPFYBDL-UHFFFAOYSA-N 422.419 -0.493 50 20 HBGD COc1ccc(Cn2cc(NC(=O)C(=O)NNC(=O)[C@H]3COCCO3)cn2)cc1 793030148 CYPUBMNLAGKUDL-OAHLLOKOSA-N 403.395 -0.559 50 20 HBGD COCCO[C@@H](C)C(=O)NNC(=O)C(=O)Nc1cc(F)cc(C(=O)OC)c1F 797007766 RHXLPRGQEAZQSI-QMMMGPOBSA-N 403.338 -0.111 50 20 HBGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)NNC(=O)[C@H]1COc2ccccc2O1 807025929 FNAONFHWISOENW-OAHLLOKOSA-N 424.377 -0.523 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1nc2c(s1)CCCC2(C)C 810386964 ZERDDTCXZAWZFF-MRVPVSSYSA-N 417.513 -0.219 50 20 HBGD Nc1nc(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)nc(N2CCOCC2)n1 816831359 PISWKTQMVXKTSS-UHFFFAOYSA-N 401.383 -0.864 50 20 HBGD O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NNC(=O)[C@H]1CCc2nncn2C1 816885741 HSEIYANVHYAQRP-VIFPVBQESA-N 413.350 -0.808 50 20 HBGD Cc1cc([N+](=O)[O-])c(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1C 919960816 INEDXXPIPYPTNF-SNVBAGLBSA-N 406.442 -0.109 50 20 HBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CN(C(=O)CN)CCO2)C1 1780096902 LNTAWJFRTUNMJA-SFHVURJKSA-N 406.395 -0.078 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCC(=O)NC3)[C@H]2C1 1783632633 DWHCYTLPUCDQCF-LXFSFDBISA-N 401.891 -0.254 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1ccn(C)n1)CCO2 1783934083 XNBZWGFYTRORDC-IBGZPJMESA-N 406.487 -0.835 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](COC)NC(C)=O)[C@H]2C1 1788777098 URRWDNZSKCYJRH-QXKUPLGCSA-N 419.906 -0.629 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CC[C@H](O)CC3)C[C@@H]21 1791293207 OBSQVHOOOXTUGE-ATIWLJMLSA-N 424.542 -0.110 50 20 HBGD N=C(N)SCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798439184 MSQGNXUIYYYWGA-JGPRNRPPSA-N 405.484 -0.436 50 20 HBGD Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cn1 1830724767 BUVRZADMYSVDAW-LPHOPBHVSA-N 411.886 -0.011 50 20 HBGD NC(=O)NCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1832936562 YPNGFOYYQXCOEA-QGZVFWFLSA-N 416.287 -0.732 50 20 HBGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1837358109 QKWITWVESLSTIN-SJCJKPOMSA-N 400.863 -0.274 50 20 HBGD C/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837460778 KHFVQBYLRIJITM-LSTKMXGYSA-N 403.439 -0.669 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnnc3O)CCO2)C1 1838376283 BDNQXKQRJPILCS-DYVFJYSZSA-N 414.846 -0.494 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(=S)NC)C2)C1 1839145527 LBWFINGGNLBYOP-DYVFJYSZSA-N 420.963 -0.056 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)no3)C2)C1 1840153471 PMILDSHVADLAJZ-MEDUHNTESA-N 403.819 -0.296 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)F)C2)C1 1840184158 VZWURUFLYDIBDT-GOSISDBHSA-N 402.467 -0.436 50 20 HBGD COC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1840320169 DTQMIALPAFQGDF-QGZVFWFLSA-N 417.535 -0.350 50 20 HBGD Cc1nnc(CCC(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)s1 1843013687 ZYLNKSSBXSGKLC-UHFFFAOYSA-N 414.296 -0.024 50 20 HBGD NC(=O)c1ccccc1C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014665 LXTBCZVGFNHIHC-UHFFFAOYSA-N 407.235 -0.404 50 20 HBGD Cc1cc(=O)c(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)nn1-c1ccccc1F 16786317 BRPFQPXLXOBLIN-NSHDSACASA-N 408.411 -0.124 50 20 HBGD Cn1nc(C(=O)NNC(=O)NCCN2CCOC(C)(C)C2)c2ccccc2c1=O 726262583 KAMUXPYQHNEWGK-UHFFFAOYSA-N 402.455 -0.012 50 20 HBGD CCOc1cc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c([N+](=O)[O-])cc1OC 729275924 SGYRUPFBRKYWRH-QMMMGPOBSA-N 404.401 -0.299 50 20 HBGD CCC(=O)NNC(=O)[C@H](C)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 734485526 LTKWXJPCFKKKEC-ZDUSSCGKSA-N 410.496 -0.206 50 20 HBGD C[C@@H](C(=O)OCC(=O)NNC(=O)c1ccccc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 745442899 ZCRKVMSIDNIDMD-VSMFUXOOSA-N 415.402 -0.458 50 20 HBGD O=C(NNC(=O)N1CCOCC1)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 746184555 KLQVJGFTZQBQKY-OAHLLOKOSA-N 416.438 -0.391 50 20 HBGD NS(=O)(=O)c1ccc(OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 749715782 WOTACHWIYMXYJY-HNNXBMFYSA-N 407.404 -0.300 50 20 HBGD COCCNC(=O)Cn1cc(NC(=O)NNC(=O)c2ccc3c(c2)OCO3)cn1 756843286 BZYDRWSVDIYJDI-UHFFFAOYSA-N 404.383 -0.159 50 20 HBGD CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NNC(=O)C3CC3)c2)CC1 763559002 WREWORJQEVPWNC-UHFFFAOYSA-N 423.495 -0.491 50 20 HBGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)cc1 763662049 SQAQOBFJTZAHPV-UHFFFAOYSA-N 411.378 -0.164 50 20 HBGD CCN(CC)S(=O)(=O)c1cc(NC(=O)C(=O)NNC(=O)CO)ccc1Cl 764429559 TZNCSRIEEXVILD-UHFFFAOYSA-N 406.848 -0.551 50 20 HBGD CCSc1ccc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cn1 765728373 OGHQVCCQFJHSKY-UHFFFAOYSA-N 417.451 -0.598 50 20 HBGD CCS(=O)(=O)N1CCC(NC(=O)NNC(=O)CNC(=O)OC(C)(C)C)CC1 778597505 XIOWUJSHFNOJIW-UHFFFAOYSA-N 407.493 -0.344 50 20 HBGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)n1 810385852 CDRPTJVPOVVEGN-UHFFFAOYSA-N 407.394 -0.262 50 20 HBGD Cn1c(=O)c2cc(C(=O)NNC(=O)COc3ccc(C#N)cc3)cnc2n(C)c1=O 861516742 PBHSGSPDPSOSCA-UHFFFAOYSA-N 408.374 -0.656 50 20 HBGD O=C(NNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)c1ccc2c(c1)OCO2 912952988 JSFBHVVLZIWYBU-VXGBXAGGSA-N 409.420 -0.788 50 20 HBGD CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919885637 MDOVXOHEHWTCDC-RYUDHWBXSA-N 410.518 -0.902 50 20 HBGD CCS(=O)(=O)NCc1ccc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 1116121985 VTZSFZFSWGNBTG-CYBMUJFWSA-N 403.482 -0.678 50 20 HBGD N#Cc1cccc(C(=O)NNC(=O)CN2CCN([C@H]3CCS(=O)(=O)C3)CC2)c1 1323016507 QHFQIKTUXGHNNJ-INIZCTEOSA-N 405.480 -0.876 50 20 HBGD CS(=O)(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2 1782713250 LIVUKFYNFRLMKI-WOSRLPQWSA-N 410.920 -0.465 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)c1nc[nH]c1[N+](=O)[O-] 1787476219 APWHJQVHARGWJS-MMWGEVLESA-N 401.807 -0.489 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnnc3O)C[C@@H]21 1791290647 GXLZNWGHIKKEGR-QEJZJMRPSA-N 420.470 -0.852 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCC(O)CC1)C2)c1cccc(B(O)O)c1 1795740588 CDJJKTHZGRWICF-YJIALWDCSA-N 416.283 -0.879 50 20 HBGD COC1(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)CCC1 1801012395 WUYSLJARHAEJPF-CCWDJLKJSA-N 410.515 -0.092 50 20 HBGD CS(=O)(=O)CC(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@H]1c1cccnc1 1806763373 COBVPGGESPUCOZ-YDHLFZDLSA-N 403.888 -0.268 50 20 HBGD C[C@H](NC=O)C(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1808388350 JETQLZFKXMJZQB-ZSZQSSIHSA-N 418.498 -0.405 50 20 HBGD O=C(c1[nH]nc2ncccc12)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830728905 YWBFSQUGHFFHAI-FZKQIMNGSA-N 423.857 -0.372 50 20 HBGD Cc1nc(C)c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)o1 1837999729 QDZGLNMZLGZYBE-GUYCJALGSA-N 401.847 -0.039 50 20 HBGD Cn1cnc2c1c(=O)n(CC(=O)NNC(=O)c1cc(-c3ccccc3)on1)c(=O)n2C 27261249 HAFZOIHFEHOUBV-UHFFFAOYSA-N 423.389 -0.450 50 20 HBGD O=C(NNC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)C(=O)N1CCCC1 730539468 FNRAULGLLWXTJA-MRXNPFEDSA-N 422.507 -0.002 50 20 HBGD Cc1cc(N2CC[C@@H](NC(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)C2=O)n(C)n1 743512351 TUXJHVIGOXSDQJ-CQSZACIVSA-N 424.425 -0.546 50 20 HBGD Cc1nc(N2CCOCC2)sc1C(=O)NN=Cc1c(N)n(C)c(=O)n(C)c1=O 749810280 OYAPYELSCIZBKR-UHFFFAOYSA-N 407.456 -0.968 50 20 HBGD C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F 755049909 RZYZHSICCQKOOJ-GHMZBOCLSA-N 413.431 -0.159 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H](CC(F)F)NC(=O)OC(C)(C)C 758040389 PCQGRTDSUVBMPD-HTQZYQBOSA-N 402.420 -0.380 50 20 HBGD O=C(CO)NNC(=O)C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 764429157 ONYCWKDSQQZJMD-UHFFFAOYSA-N 410.228 -0.034 50 20 HBGD Cn1nc(C(=O)NNC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)c2ccccc2c1=O 770636871 PJNLSTLIVLZPIA-ZDUSSCGKSA-N 409.468 -0.342 50 20 HBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 771942439 YCFQKWUDNVYYEH-WLRWDXFRSA-N 402.407 -0.131 50 20 HBGD COCc1nc(Cl)cc(NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)n1 807235841 PXAGLUPYKQZWHG-UHFFFAOYSA-N 408.806 -0.833 50 20 HBGD O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1)[C@@H]1CCS(=O)(=O)C1 914778072 YRAUDGMLUQZCGY-NXEZZACHSA-N 401.391 -0.100 50 20 HBGD NC(=O)[C@@H]1CCCN1Cc1cccc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 920933000 JCARIVDTDVRQEK-ZFWWWQNUSA-N 423.495 -0.276 50 20 HBGD COc1ccc(S(=O)(=O)CCC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 1115870734 AWDZZPMCPPUEEN-LLVKDONJSA-N 404.466 -0.559 50 20 HBGD O=C(CN1CCN(Cc2ccccc2Cl)CC1)NNC(=O)CN1C(=O)CNC1=O 1319205191 BFCHTVXCOLVSBL-UHFFFAOYSA-N 422.873 -0.843 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CC[C@]2(CN(C(=O)CN3C(=O)CNC3=O)CCO2)C1 1781224672 MQZHPGWWRYQGEI-HOTGVXAUSA-N 421.281 -0.396 50 20 HBGD C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783934546 IRWYUCQQOLANQS-YWZLYKJASA-N 410.515 -0.238 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccnc(Cl)n1)CCO2 1783934676 KNBKVRQWAWZMEX-GOSISDBHSA-N 424.889 -0.054 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCOC3)C2)C1 1785497742 REFQINYHUBROAM-OXQOHEQNSA-N 402.256 -0.764 50 20 HBGD COc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)n(C)n1 1785613690 GDPAKKXFQDWYKQ-IMIFBBOLSA-N 400.863 -0.378 50 20 HBGD NC(=O)c1nccnc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(Cl)Cl)[C@H]2C1 1791298106 BNUOHYMCVIZBPL-GUBZILKMSA-N 416.265 -0.028 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nc(CO)[nH]c3c1)C2)[C@H](O)CCl 1792978457 VWGIJJFJNAQFFH-DJZPMSPPSA-N 422.869 -0.142 50 20 HBGD Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)nc1C 1794485957 SVALQJRSFLVULR-XEMDLRDOSA-N 423.278 -0.105 50 20 HBGD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1)n1cccn1 1795736673 AFFGVTSJVGIPRS-SCNOPHJPSA-N 412.255 -0.973 50 20 HBGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1nccnc1C(N)=O)C2 1802336004 AWQYIPGWQXHDHX-CLLJXQQHSA-N 417.470 -0.800 50 20 HBGD CN1CC(C(=O)N[C@H]2CCc3nc(NC(=O)c4ccc(B(O)O)cc4)sc3C2)C1 1815347568 DYAXRTGQTLKMFS-AWEZNQCLSA-N 414.296 -0.390 50 20 HBGD NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815348666 VRGUJXFZESHFSZ-LBPRGKRZSA-N 416.268 -0.686 50 20 HBGD COC[C@H](NC(C)=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](O)CCl)CC2 1820184159 NICSOEAWNAKYKR-ADEWGFFLSA-N 418.903 -0.194 50 20 HBGD Cc1nn(C)c(C)c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830726241 PVYFFEANFQOJCY-KBXCAEBGSA-N 414.890 -0.293 50 20 HBGD O=C(c1coc(Cl)n1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1833551927 FAOUMMTUBNOENW-IAQYHMDHSA-N 408.238 -0.002 50 20 HBGD COCCC(=O)NC1CCN(C2CCN(C(=O)c3cccc(B(O)O)c3)CC2)CC1 1834562036 UBOUZRNMTDNCPF-UHFFFAOYSA-N 417.315 -0.412 50 20 HBGD O=C(c1cnn2ccncc12)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011187 AEEFIPNVBXFUQL-UHFFFAOYSA-N 405.223 -0.460 50 20 HBGD CC(=O)NCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnccc1C(=O)NN 1847878630 UBYSOQQCJQEWGU-HOTGVXAUSA-N 416.482 -0.337 50 20 HBGD Cc1cc(S(N)(=O)=O)sc1C(=O)NNC(=O)CNC(=O)c1cccs1 725740244 SBJFKKUWOGQZTH-UHFFFAOYSA-N 402.479 -0.044 50 20 HBGD COc1cc(C(=O)NNC(=O)[C@H]2CCCN2S(C)(=O)=O)cc(OC)c1OC 732923072 MBHLYCKMYBUBIM-LLVKDONJSA-N 401.441 -0.103 50 20 HBGD CCc1sc(C(=O)NNC(=O)COC(=O)CN2CCCS2(=O)=O)cc1C 736787097 OQWKUXLKCHHVBN-UHFFFAOYSA-N 403.482 -0.041 50 20 HBGD C[C@H]1CN(CCC(=O)NNC(=O)CCc2ccc(S(N)(=O)=O)cc2)C[C@@H](C)O1 751424492 AFDZDCBOOIXDCZ-OKILXGFUSA-N 412.512 -0.087 50 20 HBGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)CN3CSCC3=O)CC2)cc1 765749502 XPSOCUMKDYSUFX-UHFFFAOYSA-N 405.524 -0.207 50 20 HBGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 767257734 NUKQVMOGMGMCCK-HXUWFJFHSA-N 416.434 -0.051 50 20 HBGD CC(C)CC(=O)NNC(=O)[C@@H](C)OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 771887008 HQFWOKFAIPJDCT-LLVKDONJSA-N 410.452 -0.150 50 20 HBGD CCN1CCC[C@H]1CN1C[C@H](C(=O)NNC(=O)CNC(=O)OC(C)(C)C)CC1=O 778433498 MZBONRJNSHEFQK-KGLIPLIRSA-N 411.503 -0.009 50 20 HBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(C(=O)N[C@H](C)C(=O)OCC)cc1 784915559 DSHSELUDDUHNBT-LLVKDONJSA-N 407.427 -0.001 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(OC(F)F)c(F)c1 790342135 WKFPFLUPRXESRG-LURJTMIESA-N 405.376 -0.326 50 20 HBGD CCOC(=O)c1ccc(OC)c(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 795315000 QUYPPINSUOOZGN-VIFPVBQESA-N 423.469 -0.881 50 20 HBGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)NCC(F)(F)F)[C@H](C)O)cc1 798314122 YADXJBQYVKXVPX-ONGXEEELSA-N 412.390 -0.085 50 20 HBGD CN(C)S(=O)(=O)c1ccc(NNC(=O)CNS(=O)(=O)c2cn(C)cn2)cc1 812726532 HLYDHELORFKZEK-UHFFFAOYSA-N 416.485 -0.908 50 20 HBGD CCN(CC)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)cc1 815779697 REZQAADZSNAKAQ-CQSZACIVSA-N 412.468 -0.018 50 20 HBGD CS(=O)(=O)CC[C@@H](C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccccc1 1116847680 LEPJTPHHKOXBDO-UONOGXRCSA-N 402.494 -0.213 50 20 HBGD CC[C@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779371372 SZRWPZZMLOCAAE-RZQQEMMASA-N 419.482 -0.417 50 20 HBGD N#C/C(=C\c1ccc(F)cc1F)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](N)CN)CCO2 1782866383 SEFUECWVGDECEU-QYBVRUJRSA-N 419.432 -0.012 50 20 HBGD CC(C)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)N3CCOCC3)C[C@@H]21 1783852153 PGUFFVYOXKSSEY-YHUYYLMFSA-N 417.934 -0.118 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc[n+]([O-])c1)CCO2 1783936958 YUVYRJVKEOJBIE-LJQANCHMSA-N 405.455 -0.864 50 20 HBGD NC(=O)[C@@H](N)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCBr)[C@H]2C1 1786406079 QGPJWFIEBWXAOY-CYDGBPFRSA-N 419.320 -0.656 50 20 HBGD O=C1COc2ccc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@@H](O)CCl)cc2N1 1792981506 LEFIFAMIJDKUPO-IFOZYUSPSA-N 423.853 -0.180 50 20 HBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CS(C)(=O)=O 1793371263 FPEOFPDPTPXDIH-RKQHYHRCSA-N 410.920 -0.490 50 20 HBGD O=C(Cc1cscn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1795800714 OBYUFOHDGWKGLZ-ZSBFGKGUSA-N 415.280 -0.731 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[C@H]1[C@H]2SC=C[C@H]21 1800250237 QXCJCUXOFXQBFB-BONHGPHZSA-N 414.292 -0.555 50 20 HBGD NC(=O)CCC(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1807368039 WYYKNBDMOZPSOE-JXFKEZNVSA-N 424.266 -0.654 50 20 HBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1CCC(=O)N1)CC2 1826085371 ORLSMUCANWUYHT-CMPLNLGQSA-N 422.511 -0.293 50 20 HBGD CN1CC(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cccc(B(O)O)c2)CC3)C1 1827266106 CCZVFHZVNMNSGG-AWEZNQCLSA-N 414.296 -0.390 50 20 HBGD O=C(c1cnn2cccnc12)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731780 PAEOMZMZUIFKLH-KDOFPFPSSA-N 423.857 -0.601 50 20 HBGD CCC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830738727 STZZRYLRCBPQFD-DAYGRLMNSA-N 419.906 -0.653 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccn3C)C2)C1 1840149870 CFHQOVDPAGGMSF-SUMWQHHRSA-N 400.863 -0.256 50 20 HBGD CS(=O)(=O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840188133 PWEIBZVRMVQOHU-CYBMUJFWSA-N 403.284 -0.709 50 20 HBGD O=C(CCNS(=O)(=O)c1ccccc1)NNC(=O)c1ccc(-n2cnnn2)cc1 104741115 SEWUOKGTOLVFHD-UHFFFAOYSA-N 415.435 -0.208 50 20 HBGD C[C@]1(c2ccc(CNC(=O)NNC(=O)C(=O)N3CCCC3)cc2)NC(=O)NC1=O 726282131 JJQSMVPOBKLPDW-GOSISDBHSA-N 402.411 -0.806 50 20 HBGD O=C(CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NNC(=O)c1cnn[nH]1 729455880 FEXYIRAJHFEPKJ-UHFFFAOYSA-N 422.345 -0.167 50 20 HBGD CCS(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 758031545 WPDCBFWLQISRTN-MRVPVSSYSA-N 411.889 -0.168 50 20 HBGD C[C@]1(c2ccccc2)NC(=O)N(CC(=O)NNC(=O)C(=O)Nc2ccccn2)C1=O 758823753 UNQNBERVTPOLTI-LJQANCHMSA-N 410.390 -0.365 50 20 HBGD COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NNC(=O)C(=O)NC(C)C)C1=O 771233695 GNELUNJCZLYYSO-GOSISDBHSA-N 405.411 -0.866 50 20 HBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 771992955 IDTLHWUPAIJSQK-YNEHKIRRSA-N 417.484 -0.853 50 20 HBGD O=C(NCc1ccc(Cl)cc1)C(=O)NNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 772898375 QIZGHMVSKJCHKS-LLVKDONJSA-N 404.814 -0.120 50 20 HBGD CCOCCS(=O)(=O)NCC(=O)NNC(=O)C(=O)Nc1ccc(C)c(C)c1 798309057 GFAHHAIHUKOILE-UHFFFAOYSA-N 400.457 -0.655 50 20 HBGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)N=c2cc[nH]cc2)[C@@H](C)O)cc1 802030685 NKCUHUIPPDXYJD-DOMZBBRYSA-N 407.452 -0.307 50 20 HBGD O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NNC(=O)c1ccc(-n2cnnn2)cc1 913155959 KJTZDKHGNGZGPG-HUUCEWRRSA-N 411.422 -0.011 50 20 HBGD O=C1CC(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cccc(B(O)O)c2)C3)C1 1783152057 NQZZYUZWGQEXEY-WIYYLYMNSA-N 414.267 -0.527 50 20 HBGD Cc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)n(C)n1 1783936834 VJUODBCXCDTVSA-LJQANCHMSA-N 406.487 -0.455 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)[C@H]3CCCSC3)C2)C1 1785472787 HKWHYYOZAZIUJL-JXFKEZNVSA-N 418.324 -0.047 50 20 HBGD CC(C)(O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786979553 XHNGVKVKOPFWJN-XIRDDKMYSA-N 404.272 -0.879 50 20 HBGD CC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)N3CCOCC3)[C@H]2C1 1788655555 GZWYFGGNHRLKOS-GLRLOKQVSA-N 403.907 -0.366 50 20 HBGD O=C1Cc2cccc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@@H](O)CCl)C4)c2N1 1800028320 QXNRADGSCJMWQV-LMWOUKEDSA-N 407.854 -0.016 50 20 HBGD C[C@H](NC=O)C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809980668 ORGFSSVEKUHEJH-HNNXBMFYSA-N 401.272 -0.654 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)CCC(N)=O)[C@H]1c1cccnc1 1813075179 XQENQIPQEHIZQU-YWZLYKJASA-N 418.498 -0.274 50 20 HBGD O=C(c1ccc2nncn2c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830730789 DUCGAHOKVSNBMV-KSSFIOAISA-N 423.857 -0.601 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2 1835309026 XYJQUGNTKVMUST-RDTXWAMCSA-N 413.547 -0.427 50 20 HBGD NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839202573 KCDSHUNOHCRIPD-GXTWGEPZSA-N 410.240 -0.601 50 20 HBGD C[C@@H](CBr)C(=O)N1CCCC12CN(C(=O)CN1CC(=O)NC1=O)C2 1841285926 XWWIIXUQCKQUOF-JTQLQIEISA-N 401.261 -0.227 50 20 HBGD COC(=O)CSCC(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013157 OQQYQRAMNRGCDF-UHFFFAOYSA-N 406.269 -0.910 50 20 HBGD C[C@@H](Nc1cnccn1)C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014180 IJIHECSFOXJTBZ-CQSZACIVSA-N 409.255 -0.526 50 20 HBGD CC[S@@](=O)CCC(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1844173349 BSYVCZCRENMNKX-MUUNZHRXSA-N 407.496 -0.339 50 20 HBGD COc1ccc(C(=O)OCC(=O)NNC(=O)c2ccccc2)cc1S(N)(=O)=O 11042742 AESXPHUPBHFGEX-UHFFFAOYSA-N 407.404 -0.039 50 20 HBGD O=C(NNC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1)c1ccc2c(c1)OCCO2 727765538 JKLDXCDPLHIPAH-OAHLLOKOSA-N 404.404 -0.051 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CCNS(C)(=O)=O)cc2)CC1 728213684 GGMJHTWDOZOBIL-UHFFFAOYSA-N 419.529 -0.995 50 20 HBGD C[C@H](C(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1)N1CCN(C)CC1 744621317 PSQJEHUVOXYVMZ-OAHLLOKOSA-N 411.528 -0.214 50 20 HBGD O=C(CO)NNC(=O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 753445362 HAYVJFRPWDBRIV-UHFFFAOYSA-N 407.404 -0.353 50 20 HBGD O=C(NNS(=O)(=O)c1cc(C(=O)O)cc(F)c1F)N[C@@H]1CCS(=O)(=O)C1 756935534 FLZFTJSXGGSFIG-SSDOTTSWSA-N 413.380 -0.657 50 20 HBGD O=C(C[C@@H]1NC(=O)NC1=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 763387293 ZQWMWVXLGIMOOO-ZDUSSCGKSA-N 423.451 -0.780 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(OCC(F)F)cc1 764228239 WJPCASPBDONWGJ-QMMMGPOBSA-N 408.383 -0.646 50 20 HBGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(CN2CCOC2=O)cc1 764397753 MNRJFKNRZYPLEK-GFCCVEGCSA-N 408.411 -0.224 50 20 HBGD COCCN1C(=O)c2ccc(C(=O)NNC(=O)c3cccn3C)cc2S1(=O)=O 917938281 HMHIZQODTMQBFZ-UHFFFAOYSA-N 406.420 -0.109 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=S)NCCS(C)(=O)=O)c1 1326463964 BQYGSIIPFLWMRK-UHFFFAOYSA-N 408.527 -0.910 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)C1CCC(CO)CC1)CCO2 1783933524 OXAYJTLBXFBMJK-MYKUNDNFSA-N 424.542 -0.012 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1cccnc1)CCO2 1783933618 BBAKASOPZVUJQJ-HXUWFJFHSA-N 403.483 -0.173 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccc(O)nn3)C[C@@H]21)[C@@H](O)CCl 1784093877 IQPPMPBSJFZBKB-CYDGBPFRSA-N 414.846 -0.860 50 20 HBGD C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1784502655 ANOPLWDZLQTVNL-CBVHJVASSA-N 416.283 -0.449 50 20 HBGD NC(=O)[C@@H](N)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21 1786888547 RLTBLBFJWDXVKT-CYDGBPFRSA-N 419.320 -0.656 50 20 HBGD O=C1Cc2cccc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@H](O)CCl)c2N1 1792984359 YQIKBEZHNGCPQX-FAXLKDOZSA-N 407.854 -0.016 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1[C@H]3SC=C[C@H]31)C2 1801013070 TVRHMJCVPWKYQN-VTBFWDELSA-N 408.524 -0.176 50 20 HBGD O=C([C@H](O)CCl)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@H]4C=CS[C@H]43)C2)C1 1830735780 MXWUEKVHUIHKQH-CVXDVXMKSA-N 402.900 -0.082 50 20 HBGD N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1835356702 HIHIGBAZSZUBAN-IBGZPJMESA-N 416.438 -0.941 50 20 HBGD O=C(/C=C/C1CC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835926493 PBNHKGQZWPTXTL-OYCQWZNWSA-N 414.267 -0.597 50 20 HBGD O=C(Cn1cc(Cl)cn1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1835969512 MYYWHORVOJLFAQ-BBRMVZONSA-N 421.281 -0.407 50 20 HBGD COc1ccc(CNC(=S)NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)cc1 18945228 XMSCVTFNTHROAB-UHFFFAOYSA-N 424.508 -0.725 50 20 HBGD O=C(NNC(=S)NCCc1ccc2c(c1)OCCO2)N[C@H]1CCS(=O)(=O)C1 726749036 DPAUOGSLTXDRNR-LBPRGKRZSA-N 414.509 -0.134 50 20 HBGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)o1 730766165 YUIOQOJBDRCJCF-UHFFFAOYSA-N 416.437 -0.017 50 20 HBGD O=C(COc1ccccc1O)NNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 730782326 KXEICVQBUBIXIW-AWEZNQCLSA-N 406.439 -0.901 50 20 HBGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NC[C@H]2CN(C)CCN2C)nc1 732474858 LXNNNQUQVOLPOS-AWEZNQCLSA-N 413.548 -0.016 50 20 HBGD C[C@@H](CS(C)(=O)=O)C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 747080431 MKVHRKSFRKKNGG-GXFFZTMASA-N 400.409 -0.802 50 20 HBGD O=C(NCCNS(=O)(=O)c1ccc(Cl)s1)NNC(=O)C(=O)NC1CC1 752688001 DKCLXGHEJNXJHR-UHFFFAOYSA-N 409.877 -0.711 50 20 HBGD C[C@@H]1CN(CCC(=O)NNC(=O)c2coc(S(=O)(=O)N(C)C)c2)C[C@@H](C)O1 756743649 AXAJFGNZXFWKIP-VXGBXAGGSA-N 402.473 -0.210 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 758030199 PDTYHSMLWMCAQN-GHMZBOCLSA-N 408.477 -0.903 50 20 HBGD COC(=O)N[C@@H](C)C(=O)NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 762252076 GVAOMFGOMMLCKD-NSHDSACASA-N 400.461 -0.795 50 20 HBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H]2CN3CCCN2CC3)c1 763378529 HOTAXPRPZISOKX-KRWDZBQOSA-N 423.539 -0.132 50 20 HBGD COc1c(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c(C)nn1C 766640340 DKUGNNSPXGHVSG-UHFFFAOYSA-N 414.466 -0.044 50 20 HBGD C[C@@H](CCN1CCN(C)CC1)NC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 770308542 UCUFHLFUEYWPBC-AWEZNQCLSA-N 401.475 -0.368 50 20 HBGD CCCn1nc(C(=O)NNC(=O)[C@H](NC(=O)C2CC2)[C@@H](C)O)c2ccccc2c1=O 779473009 DVYXFTIHKPXJMR-IAQYHMDHSA-N 415.450 -0.157 50 20 HBGD CN(C)N(C(=O)CCC(=O)Nc1ccc2nc(O)[nH]c2n1)[C@H]1CCS(=O)(=O)C1 792856006 WLFDPLBSPYIAED-JTQLQIEISA-N 410.456 -0.126 50 20 HBGD CCOC(=O)c1ccc(F)c(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 795313732 HPIHPBWAGIPKMM-MRVPVSSYSA-N 411.433 -0.750 50 20 HBGD Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 818072615 BHGLQYMBNLBUTQ-QENILXLESA-N 408.415 -0.299 50 20 HBGD COc1ccc(NC(=S)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 913440097 SFGGCOSWGGBAFP-UHFFFAOYSA-N 417.451 -0.540 50 20 HBGD Cc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)n[nH]1 1779032466 KZOGGRIOAPFETK-IBGZPJMESA-N 413.438 -0.526 50 20 HBGD C[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)Cn3ccncc3=O)CCO2)C1 1783537031 OWJXOZXUODUOIT-LRDDRELGSA-N 413.272 -0.143 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)CCN3CCOC3=O)CCO2)C1 1783876566 YLVFVBCCOBZNEP-DYVFJYSZSA-N 403.863 -0.088 50 20 HBGD C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1)n1cncn1 1783938339 WWYNZSLFYFOBAR-KDOFPFPSSA-N 407.475 -0.958 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1cc(O)nc(O)n1 1796189255 QLRRITJPPGCUKJ-BTTYYORXSA-N 412.211 -0.867 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]c2c1CS(=O)(=O)C2)[C@H](O)CCl 1796385822 NTGXYIYGFVSECZ-BSTOTGJRSA-N 416.887 -0.310 50 20 HBGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)n1cnnn1)C2 1800762387 AJYLCTVLAHOCAI-NGDQXYMTSA-N 401.265 -0.393 50 20 HBGD O=C(Cn1cncn1)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1817610948 UCTJKLGWYAOCON-MRXNPFEDSA-N 423.242 -0.313 50 20 HBGD O=C1CC[C@H](C(=O)NC2CCN(C3CCN(C(=O)[C@@H](O)CCl)CC3)CC2)N1 1834586162 CQOPDKUIURGGTI-CABCVRRESA-N 400.907 -0.564 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccn3C)C2)C1 1840149869 CFHQOVDPAGGMSF-GUYCJALGSA-N 400.863 -0.256 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C(/C)C(=O)O)CCO2)C1 1840839106 JDQYFJQQFPISOK-ZVDLLJIASA-N 404.847 -0.273 50 20 HBGD C[C@@H](C(=O)N1CC2(CCCN2C(=O)CCC(=O)NN(C)C)C1)[C@H]1SC(=N)NC1=O 1846384821 NMBPVDZVXSKOPS-BXUZGUMPSA-N 424.527 -0.635 50 20 HBGD CN(CC(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)c1ncccn1 110901822 QTRSLMXIGHSISA-AWEZNQCLSA-N 401.379 -0.557 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)NCc1ccnc(N2CCOCC2)c1 725873315 XPGATGFHECZJRU-UHFFFAOYSA-N 402.411 -0.228 50 20 HBGD C[C@H](O)[C@@H](NC(=O)C(C)(C)C)C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1 745701361 DRBCRSBTDRDZTQ-XHDPSFHLSA-N 404.423 -0.226 50 20 HBGD CC(C)(C)C(=O)NNC(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 761063747 LRZUERVRJHYTDP-OAHLLOKOSA-N 418.450 -0.167 50 20 HBGD Cn1c(=O)n(C)c2cc(NC(=O)C(=O)NNC(=O)COc3ccccc3O)ccc21 764275652 PMGCSIZNHXYSCK-UHFFFAOYSA-N 413.390 -0.253 50 20 HBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 764299151 DFQYTBFKCZVZEE-UHFFFAOYSA-N 412.468 -0.016 50 20 HBGD Cc1ccc(C(=O)NNC(=O)COC(=O)c2cc(S(N)(=O)=O)ccc2O)cc1 769794498 XUDYNHHRIJVJJU-UHFFFAOYSA-N 407.404 -0.034 50 20 HBGD CS(=O)(=O)C1(CNC(=O)NNC(=O)c2csc(N3CCOCC3)n2)CCC1 1321193759 OTAMXAPCBUDBMT-UHFFFAOYSA-N 417.513 -0.109 50 20 HBGD CC[C@H](NC)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779030593 CYABFKPBHFDGLF-HNAYVOBHSA-N 404.471 -0.873 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)CSc3nc[nH]n3)CCO2)C1 1783878940 LMQJOKMYVKPIBU-ABAIWWIYSA-N 403.892 -0.020 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@@]3(F)Cl)C[C@@H]21)c1cccc(B(O)O)c1 1786986631 SDURTZWOWWOVNS-RWBKLUSOSA-N 424.665 -0.116 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCn3cncn3)C[C@@H]21 1791293175 MPJLOCBUAXLHEC-JYJNAYRXSA-N 421.502 -0.979 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nn[nH]c1C(F)(F)F)C2)[C@H](O)CCl 1792979105 UMWVUBMHLJRNCE-BZNPZCIMSA-N 411.768 -0.374 50 20 HBGD CN(CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](F)Br)C2)C(=O)C(=O)O 1801330463 GZLDQTYZIQCBPK-PKIKSRDPSA-N 408.224 -0.142 50 20 HBGD CC(=O)NCC(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1812617101 LEFRIVPCXBQUID-YLJYHZDGSA-N 424.266 -0.783 50 20 HBGD C[C@@H](NC=O)C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815343724 LKRBCJPWIOXCGJ-MFKMUULPSA-N 416.268 -0.817 50 20 HBGD C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1 1830731135 IDUGYXBXGYTEMK-DEYYWGMASA-N 404.891 -0.384 50 20 HBGD Cc1n[nH]c(C)c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830732396 XFGSNKLOOUXPIP-GUYCJALGSA-N 400.863 -0.304 50 20 HBGD O=C(CCN1C(=O)C=CC1=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1832020359 JPIZESJSPMXPNV-NVXWUHKLSA-N 417.821 -0.708 50 20 HBGD NC(=O)NCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1832935948 METHESWMTANRCL-KRWDZBQOSA-N 416.287 -0.732 50 20 HBGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1836139775 VKWKTSZXBZVFDV-WFASDCNBSA-N 416.276 -0.482 50 20 HBGD O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NNC(=O)c1csc(N2CCOCC2)n1 12800864 PTFXCUSIPTZPBH-TXEJJXNPSA-N 419.463 -0.308 50 20 HBGD Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)CNC(=O)c2ccco2)cc1 725739626 KTTKGSAQUPNMIQ-LBPRGKRZSA-N 408.436 -0.168 50 20 HBGD O=C(NNC(=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F)N[C@H]1CCS(=O)(=O)C1 727800855 ZKDYALHQVWYKEE-IUCAKERBSA-N 416.378 -0.333 50 20 HBGD C=CCN1C(=O)C(=O)N(CC(=O)NNC(=O)c2ccc(OCC)c(OC)c2)C1=O 748547678 XOSKAIWUMQPRAJ-UHFFFAOYSA-N 404.379 -0.168 50 20 HBGD CCOc1ccccc1[C@H](CC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)NC(C)=O 758027262 VTRZIVRXPHIKAY-RISCZKNCSA-N 414.484 -0.262 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)N1CCc2c1cccc2C(F)(F)F 764228293 XCBWTXCCUKKZLI-QMMMGPOBSA-N 422.385 -0.320 50 20 HBGD CC(C)(O)C(=O)NNC(=O)c1cc(I)ccc1-n1cnnn1 768260565 FQHUSDNURUDSMO-UHFFFAOYSA-N 416.179 -0.201 50 20 HBGD Cc1cc(C(=O)NNC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)n[nH]1 768277272 CTSDKKWQRAXCIC-LBPRGKRZSA-N 409.472 -0.080 50 20 HBGD COCCOCCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 920338015 FNWAVTYWXHIZNL-UHFFFAOYSA-N 415.468 -0.478 50 20 HBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1nc2ncc(Br)cn2n1 1115885708 YJTWRVPMYINVKS-LURJTMIESA-N 403.218 -0.918 50 20 HBGD CCn1nc(C(=O)NNC(=O)NCC2(S(C)(=O)=O)CC2)c2ccccc2c1=O 1321202402 LNRZCDKTOBPLEZ-UHFFFAOYSA-N 407.452 -0.062 50 20 HBGD CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1781400487 QQWDOWNTKLVLGC-BEFAXECRSA-N 411.503 -0.010 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccnnc1)C2 1782210912 ZACMJEVSLDSIKS-OXQOHEQNSA-N 418.498 -0.023 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1783875388 MHZQEUHPWHRQRG-YJBOKZPZSA-N 410.663 -0.936 50 20 HBGD Cc1nccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)n1 1783934999 NZJHUPLFLJCYPE-LJQANCHMSA-N 404.471 -0.398 50 20 HBGD NC(=O)[C@H](N)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21 1786888549 RLTBLBFJWDXVKT-RVMXOQNASA-N 419.320 -0.656 50 20 HBGD O=C(Cn1cnnn1)NC1(c2ccc(NC(=O)c3ccc(B(O)O)cc3)cc2)CCC1 1788140669 ILAJHKMSFFMHGV-UHFFFAOYSA-N 420.238 -0.199 50 20 HBGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)C1(O)CCC1 1792474288 GXEFPZDZOKVRFP-NYCLONFESA-N 416.283 -0.879 50 20 HBGD CC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)C(C)(C)C 1793190298 IASLOONIIRTVPO-XLWJZTARSA-N 403.907 -0.274 50 20 HBGD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)on1 1797749833 YBHJBLIXHRSNJC-DRXBFXEBSA-N 414.422 -0.501 50 20 HBGD CC(C)CNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798440402 MRLKOFBYPOOWLT-BTTYYORXSA-N 416.482 -0.291 50 20 HBGD COc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c1 1798887226 XHLRDDSKINPQPJ-XEMDLRDOSA-N 424.262 -0.108 50 20 HBGD CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801012440 GJGSJXQNWHKADB-AFIMGQEJSA-N 411.503 -0.250 50 20 HBGD O=C(Cn1nccn1)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1820985113 AKSJVRXFXWWYGG-INIZCTEOSA-N 423.242 -0.313 50 20 HBGD CC(C)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC[C@@H](N)C(N)=O)C2)C1 1830359365 OHYSEGRXGSTPKX-FZKQIMNGSA-N 418.922 -0.699 50 20 HBGD CC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1835935766 PZCIBLAZTCIWPH-HXUWFJFHSA-N 404.272 -0.518 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1839864940 YDUJPOBTQKZGHQ-HZPDHXFCSA-N 410.298 -0.055 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NC(C)=O)C2)C1 1840150554 NEBQVVSCCPFABI-RDTXWAMCSA-N 419.906 -0.389 50 20 HBGD CCOC(CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1)OCC 1840280230 ZZIRDTVWPXCXFO-KDOFPFPSSA-N 422.906 -0.168 50 20 HBGD O=C(CSc1nc[nH]n1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1840380336 VDEOWIXSNPLWOX-RISCZKNCSA-N 407.855 -0.112 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(N)=O)CCO2)C1 1840921372 URTDEEOHLIJGGN-GJZGRUSLSA-N 411.286 -0.653 50 20 HBGD C[C@H](CS(C)(=O)=O)C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1841617550 BAJDPGCLWTVBPW-GFCCVEGCSA-N 423.495 -0.817 50 20 HBGD COC(=O)c1ccc(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)cn1 1843495970 KRSIURKWDJOGPO-UHFFFAOYSA-N 423.234 -0.321 50 20 HBGD CN1CCC[C@@H](C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)C1 1845054673 MRWMZWYZZVEWGD-CQSZACIVSA-N 400.483 -0.156 50 20 HBGD Cc1nc2ccccn2c1C(=O)NNC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 17582869 JGVPAWZCRDLGPR-UHFFFAOYSA-N 424.421 -0.759 50 20 HBGD O=C(CNC(=O)c1cc(-c2ccccc2)on1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 726528303 SEJQPEJRNFMYSE-GFCCVEGCSA-N 421.435 -0.411 50 20 HBGD CCCn1nc(C(=O)NNC(=O)Cn2[nH]cc3c(=O)ncnc2-3)c2ccccc2c1=O 730516904 OQCDNWSKZOPELP-UHFFFAOYSA-N 422.405 -0.348 50 20 HBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 746097901 OGEALHBWNPPIHU-ZDUSSCGKSA-N 424.527 -0.541 50 20 HBGD COc1cc(C(=O)NCC(=O)NNC(=O)C(=O)N2CCCC2)cc(OC)c1OC 748343554 NQJAYODWTNNWNZ-UHFFFAOYSA-N 408.411 -0.788 50 20 HBGD O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NNC(=O)[C@@H]1COCCO1 754216748 UUFAPTORKAAJDI-LBPRGKRZSA-N 402.385 -0.886 50 20 HBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1 764203209 HHSMAHJJIUGPNX-UHFFFAOYSA-N 416.482 -0.379 50 20 HBGD NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)NNc3nc4ccccn4n3)CC2=O)c1 791258759 HZOWBFMQVPWFEK-NSHDSACASA-N 415.435 -0.127 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(OC(F)F)cc1F 802567549 YFUUGKJTQDOYQP-LURJTMIESA-N 412.346 -0.549 50 20 HBGD CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1 807577905 NOZZLTNVTFNKMY-GFCCVEGCSA-N 414.444 -0.190 50 20 HBGD COCCS(=O)(=O)CC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 916099355 KZOHRKNODGCYAT-UHFFFAOYSA-N 412.512 -0.593 50 20 HBGD Cc1cccc2c(=O)n(CCC(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)cnc12 919889844 VKKWKHFFTXJOTR-LBPRGKRZSA-N 407.452 -0.387 50 20 HBGD Cc1csc(CC(=O)NNC(=O)CN2CCC([C@@]3(C)NC(=O)NC3=O)CC2)n1 1319582706 VXBWBVVRRJXBKL-QGZVFWFLSA-N 408.484 -0.548 50 20 HBGD CO/C=C(\C)C(=O)N1CC[C@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1778841646 ZPOVOVFWBXGMQT-QHSLDKKCSA-N 403.439 -0.321 50 20 HBGD C=C(C(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2)C(F)(F)F 1783203200 VTFISSWTRLHPDF-QGZVFWFLSA-N 412.173 -0.072 50 20 HBGD CC(C)(O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984412 KWVSEGSBSWWWJI-XIRDDKMYSA-N 404.272 -0.879 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C[C@@H]21 1791293232 PDXWPDJXIBBLSJ-PTRNUJBVSA-N 408.499 -0.769 50 20 HBGD Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnccc2C(=O)NN)C3)cn1 1794654010 QOTGMMPPQHUEID-JLVBRIDZSA-N 424.461 -0.094 50 20 HBGD C[Si](C)(C)OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nccnc1C(N)=O 1798356430 MUIXKJFKVCHNSU-DABQJJPHSA-N 421.530 -0.370 50 20 HBGD NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1825179477 QPDPTBSQBLJYLT-LBPRGKRZSA-N 416.268 -0.686 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cncnc3)CCO2)C1 1833123600 HWKQODOZVCTLEN-YJBOKZPZSA-N 412.874 -0.271 50 20 HBGD O=C1C[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)CCBr)C3)C2)CN1 1839868514 RABJYBUPIQRKIT-BLLLJJGKSA-N 418.288 -0.636 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1840154166 NTKTVGKMNWODSI-SJCJKPOMSA-N 414.846 -0.906 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(CO)on3)C2)C1 1840154178 OFLZHOUAMBEIPC-DYVFJYSZSA-N 417.846 -0.509 50 20 HBGD C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1)n1cnnn1 1840480556 WQAZFWALTBEUMZ-HZMBPMFUSA-N 407.258 -0.506 50 20 HBGD Cn1cccc1C(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840481171 GOJNVEFOXLAGJZ-RDTXWAMCSA-N 413.858 -0.736 50 20 HBGD CC(=O)N[C@@H](C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(B(O)O)cc1)C(C)(C)C 1847707726 XFGZKKYQTGSTRB-BZSNNMDCSA-N 415.299 -0.267 50 20 HBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)C(=O)NC1CC1 9889749 IBVHAKNYPMCANL-UHFFFAOYSA-N 424.479 -0.934 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 728509391 DGYAJAIRSFPJEG-ZETCQYMHSA-N 414.387 -0.176 50 20 HBGD CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NNC(=O)c2cnn(C)c2)c1 735445443 VJJGCTLVPKYOGX-UHFFFAOYSA-N 410.456 -0.927 50 20 HBGD C[C@@H](C(=O)NNC(=O)c1ccc2c(c1)OCCO2)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 742242799 LOXPDSHHSUFXIG-LRZXTXFSSA-N 415.402 -0.230 50 20 HBGD O=C(NCc1ccccc1OCCN1CCOCC1)NNC(=O)C(=O)NC1CC1 744868933 KVDOJMXVOBLCQY-UHFFFAOYSA-N 405.455 -0.493 50 20 HBGD O=C(CCCS(=O)(=O)N1CCCC1)NNC(=O)CNC(=O)c1cccs1 751206144 DZCOGCLWRZCKIJ-UHFFFAOYSA-N 402.498 -0.169 50 20 HBGD Cc1ccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1S(=O)(=O)N(C)C 755392457 HCGKEFCNNFLDNA-JTQLQIEISA-N 421.501 -0.664 50 20 HBGD Cn1cnc(S(=O)(=O)NCC(=O)NNC(=O)c2cc(-c3ccccc3)on2)c1 756080513 KHKHMLBROXQRIY-UHFFFAOYSA-N 404.408 -0.185 50 20 HBGD N#Cc1cccc(C(=O)NNC(=O)CN2CCCN(CC(=O)N3CCCC3)CC2)c1 756488286 MKHSRGBNHLJITR-UHFFFAOYSA-N 412.494 -0.051 50 20 HBGD CCOC(=O)[C@H]1CCC(=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)[C@@H](C)C1 761268214 XUJXBLDCGLUHBD-RYUDHWBXSA-N 418.454 -0.095 50 20 HBGD CNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)cc1 764166600 DODSNRXWKNTXAM-OAHLLOKOSA-N 418.431 -0.316 50 20 HBGD COc1ccc(C)cc1CC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 765724544 LPOBWHYYNZRFBD-UHFFFAOYSA-N 414.422 -0.859 50 20 HBGD C[C@H]1CN(CCC(=O)NNC(=O)CNC(=O)CNC(=O)OC(C)(C)C)C[C@H](C)O1 767148183 NCUIREXJXQTSAG-STQMWFEESA-N 415.491 -0.726 50 20 HBGD Cc1ccc(S(N)(=O)=O)c(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)c1 767191461 AIWPFCAWKWHPMO-UHFFFAOYSA-N 415.431 -0.036 50 20 HBGD COC(=O)C1(c2ccc(S(=O)(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)cc2)CC1 776271230 JBTMGKTXEOVWEF-NSHDSACASA-N 416.477 -0.365 50 20 HBGD O=C(Cn1nc2ccccn2c1=O)N1CCN(S(=O)(=O)CBr)CC1 777839048 YNWMLKJSFVSLKI-UHFFFAOYSA-N 418.273 -0.678 50 20 HBGD CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)NNC(=O)CNC(=O)OC(C)(C)C)C1=O 778687317 BYZWQRPRPMDTEP-BTDLBPIBSA-N 412.447 -0.438 50 20 HBGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 792849700 KWLZOOLVYAMRIJ-AAEUAGOBSA-N 421.545 -0.804 50 20 HBGD CS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)cn1 794584003 HXKDRMCTURDDGG-UHFFFAOYSA-N 418.478 -0.714 50 20 HBGD Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)c1 815778592 YQIKZCXBWRBUFJ-CQSZACIVSA-N 400.395 -0.455 50 20 HBGD COCCN1C[C@@H](C(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)CC1=O 914662956 MLPRCQKGBJSENY-LBPRGKRZSA-N 408.367 -0.606 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCN(C)CC3)C2)C1 1778264248 SZHIEFHULCGJPJ-MAUKXSAKSA-N 402.923 -0.683 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)C[C@](C)(O)CC(=O)O)CCO2)C1 1783879935 ZVYOSEWQFLWEMB-ZLIFDBKOSA-N 406.863 -0.314 50 20 HBGD CCNC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](Cl)COC)[C@H]2C1 1791255519 RVRBGLBUUGBXDY-LXFSFDBISA-N 418.922 -0.073 50 20 HBGD Cc1nocc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791288584 HYBWTKYOUDYNRN-DZKIICNBSA-N 407.471 -0.051 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)[C@@H]1CCCOC1 1792210818 IXZBRPJEXKOKCT-NBMJBFSESA-N 416.283 -0.614 50 20 HBGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)N1CCOCC1 1797807895 FNGCAWHDMAWNFB-DJUFWWRVSA-N 420.304 -0.990 50 20 HBGD CNC(=O)CC(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813069515 YSQFZATWOUCEQG-FOIQADDNSA-N 418.498 -0.404 50 20 HBGD Cn1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)n1 1833882814 BCLNFCQTGVPWNR-IINYFYTJSA-N 420.239 -0.424 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccn(C)n3)CCO2)C1 1836065209 SXRMCQOUGJDCPD-CRAIPNDOSA-N 414.890 -0.327 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3nc(C)no3)CCO2)C1 1836075012 OGPKVDJEMVSQLZ-DYVFJYSZSA-N 416.862 -0.369 50 20 HBGD COCCOCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Br)CCO2 1840031700 ACTYPXLFBPESNI-XJKSGUPXSA-N 423.304 -0.111 50 20 HBGD O=C(c1ccc2ncnn2c1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843013975 JUNZHJDIVSPKOC-UHFFFAOYSA-N 405.223 -0.460 50 20 HBGD O=C(c1cc2n(n1)CCCO2)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014057 SSGVLGSPKDSBDA-UHFFFAOYSA-N 410.239 -0.524 50 20 HBGD CN1C(=O)C(=NNC(=O)C(=O)NN=C2C(=O)N(C)c3ccccc32)c2ccccc21 254301371 HKQPSHLUABZXGD-UHFFFAOYSA-N 404.386 -0.020 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCc2nc(C)no2)cc1 726271122 MOIQGWVLGUTASI-UHFFFAOYSA-N 410.456 -0.120 50 20 HBGD CCOc1ccc(O[C@@H](C)C(=O)NNC(=S)NCCNS(C)(=O)=O)cc1 727067895 STDSYPLCWUKEJD-NSHDSACASA-N 404.514 -0.103 50 20 HBGD C[C@H]1COCCN1CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 729614163 JJKKNWVPQASJFF-ZDUSSCGKSA-N 413.500 -0.398 50 20 HBGD O=C(NNC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)C(=O)NC1CC1 730519432 LUOBUBVCNIMFFF-AWEZNQCLSA-N 408.480 -0.346 50 20 HBGD O=C(CCCNS(=O)(=O)c1ccc(F)cc1)NNC(=O)[C@H]1CCS(=O)(=O)C1 732308382 ZBPFMOWNUWNSBW-NSHDSACASA-N 421.472 -0.534 50 20 HBGD Cn1c(NNC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)nc2ccccc2c1=O 733260608 KUURUBSCUCPSLB-UHFFFAOYSA-N 409.406 -0.421 50 20 HBGD C[C@H](C(=O)NNC(=O)Cc1cn2ccccc2n1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 746548019 BSVXVXIWNBQJGJ-MXNCWBMWSA-N 411.418 -0.425 50 20 HBGD COC(=O)CNC(=O)c1ccc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 755550331 VQHATCJDYQWKBE-LLVKDONJSA-N 412.424 -0.823 50 20 HBGD COC(=O)CNC(=O)c1ccc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 755550339 VQHATCJDYQWKBE-NSHDSACASA-N 412.424 -0.823 50 20 HBGD CCCOc1cccnc1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 760447808 HMBBMHVTBQEMEQ-UHFFFAOYSA-N 415.410 -0.921 50 20 HBGD CNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)c2ccccc2O1 764153951 NJFMCJXYRLZRCF-SJORKVTESA-N 424.413 -0.322 50 20 HBGD Cn1nccc1S(=O)(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765117141 BEHGNFWUPXNBEO-UHFFFAOYSA-N 406.468 -0.812 50 20 HBGD COCCCS(=O)(=O)NCC(=O)NNc1c(OC)cccc1S(C)(=O)=O 768627707 FAELGEXEWDJSTL-UHFFFAOYSA-N 409.486 -0.502 50 20 HBGD O=C(NNC(=O)[C@H]1CC(=O)N(c2c(F)cccc2F)C1)N[C@@H]1CCS(=O)(=O)C1 770706444 RADWLYIQCMWAFC-VHSXEESVSA-N 416.406 -0.165 50 20 HBGD CN1CCN(C(=O)NNC(=O)c2sccc2S(=O)(=O)N2CCOCC2)CC1 773672383 HSLZEALEERVQRK-UHFFFAOYSA-N 417.513 -0.629 50 20 HBGD COC(=O)c1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)c(F)c1 784002920 XBUMBNMPXWHJNK-UHFFFAOYSA-N 406.326 -0.279 50 20 HBGD COc1ccc(C(=O)NNC(=O)COC(=O)[C@@H](O)Cc2cnn(C)c2)cc1OC 786870680 NEGKNBNCHDIKFQ-ZDUSSCGKSA-N 406.395 -0.655 50 20 HBGD CS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCCO3)cn1 794576469 KARGBRNZXKQIHJ-UHFFFAOYSA-N 413.433 -0.120 50 20 HBGD COC(=O)c1cc(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c[nH]1 814528996 MZKQPWYBCHAUSO-CQSZACIVSA-N 403.347 -0.055 50 20 HBGD Cc1c(NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)cccc1S(=O)(=O)NC1CC1 815778427 QIHUWZQDNJUFTO-CYBMUJFWSA-N 410.452 -0.299 50 20 HBGD Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)NNC(=O)[C@H]1CCCO1 815779665 PZCWTSRNUYMTQY-HUUCEWRRSA-N 404.423 -0.131 50 20 HBGD Cn1c(=O)nc(O)c2cc(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)cnc21 894381737 KFURLGZQKXNXAS-UHFFFAOYSA-N 407.350 -0.915 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NNC(=O)[C@@H]3CCC(=O)N3)C2)cc1 913484537 WCPCVFXNHRNCIU-HIFRSBDPSA-N 408.480 -0.178 50 20 HBGD COCCNC(=O)CSc1ccccc1C(=O)NNC(=O)CN1CCCC1=O 920435600 KSMYVWXDCJJTET-UHFFFAOYSA-N 408.480 -0.075 50 20 HBGD CN(C)N(C(=O)c1nc(S(C)(=O)=O)n2ccccc12)[C@@H]1CCS(=O)(=O)C1 1117717664 SVDOOKDWWFMQLH-LLVKDONJSA-N 400.482 -0.156 50 20 HBGD CN1CCC[C@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779029403 RLXWQEHVIANMIU-OXJNMPFZSA-N 416.482 -0.777 50 20 HBGD CCNC(=S)NCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](Cl)COC)C2)C1 1783883989 YGLAPZBJGLOILS-WBMJQRKESA-N 406.936 -0.446 50 20 HBGD Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)nc1 1786153581 KOTSHKPKXWHWAG-QRFRQXIXSA-N 423.278 -0.023 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCCO1)C2)c1ccc(B(O)O)cc1 1795732671 JVFVPRJMDNQOQN-MVJTYMMSSA-N 402.256 -0.861 50 20 HBGD N=C(N)SCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1796032135 KPNAFUXGLZIHEO-QDMKHBRRSA-N 404.301 -0.365 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(=O)(=O)N1CCCC1)C2)[C@H](F)Cl 1796362937 LAZFODCTBJPDJT-XCCSTKFXSA-N 411.883 -0.464 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)COCCO)C2 1796892665 CTJJDYDKBXNJTG-UGYGMJENSA-N 405.455 -0.233 50 20 HBGD O=C(CN1C(=O)CNC1=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](F)Br 1800157419 NWMDRLURHRLBTI-NHRVJRKFSA-N 405.224 -0.133 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[C@@H]1[C@H]2C=CS[C@@H]21 1800250242 QXCJCUXOFXQBFB-OPICCCTDSA-N 414.292 -0.555 50 20 HBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)n1)C2 1800974796 AXHHVMLOFWQROX-WJZNIJOASA-N 400.819 -0.655 50 20 HBGD C[C@@H](CC(N)=O)C(=O)N[C@@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826083505 OJSSODNVNGIUGI-WDEREUQCSA-N 424.527 -0.060 50 20 HBGD O=C(COCCO)N1CCC([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827056476 JEKUWNGTXJUYKE-IBGZPJMESA-N 418.299 -0.391 50 20 HBGD CCc1[nH]nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1F 1830724430 HCNXDLDTISNYDD-SJKOYZFVSA-N 418.853 -0.219 50 20 HBGD C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830733460 MYHIUQPAIYJRPR-KSSFIOAISA-N 418.874 -0.448 50 20 HBGD CN1CCCC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1830765294 NMNJSHFZCQRKQY-DAYGRLMNSA-N 403.907 -0.473 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)CC3CC3)CCO2)C1 1835220046 FUSUWZJIRMGGJR-FQEVSTJZSA-N 417.466 -0.445 50 20 HBGD O=C(c1[nH]nc2ncccc12)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1836451352 UMSIXUBHOSXOSF-FZKQIMNGSA-N 423.857 -0.372 50 20 HBGD C[C@H](CC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1837710092 HRFBTOQMPOZMGO-KDOFPFPSSA-N 415.563 -0.194 50 20 HBGD CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1839876405 OWPQIUYQWWJUHJ-MLGOLLRUSA-N 420.304 -0.248 50 20 HBGD Cc1ncc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)[nH]1 1840182959 XRZJNSIVIZZANC-LJQANCHMSA-N 422.486 -0.839 50 20 HBGD O=C([C@H]1CCc2nc(O)nc(O)c2C1)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841350190 MWTDWYIBHSIAAF-GXFFZTMASA-N 410.858 -0.204 50 20 HBGD O=C(c1cnnc(Cl)c1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010573 FVNGZYNIJPNYTD-UHFFFAOYSA-N 400.631 -0.059 50 20 HBGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2ccc3c(c2)C(=O)NC3=O)n1 729294269 SCTSUUZHGRBUED-UHFFFAOYSA-N 402.388 -0.118 50 20 HBGD Cn1c(=O)c2c(nc(Cl)n2CC(=O)NNC(=O)c2ccc(C#N)cc2)n(C)c1=O 742447363 HLFYJSBYXUCAII-UHFFFAOYSA-N 415.797 -0.580 50 20 HBGD O=C(CCNS(=O)(=O)c1cccnc1)NNC(=O)Cc1cn2ccccc2n1 746641665 RNXXNRFHLNCFTN-UHFFFAOYSA-N 402.436 -0.212 50 20 HBGD Cc1nn(C)c(C)c1C(=O)C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 753617639 UVKJFQWVQCHNJE-CQSZACIVSA-N 416.390 -0.250 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cccc(OCCS(C)(=O)=O)c1 756297541 KYLSFOZQUZMHHJ-JTQLQIEISA-N 422.485 -0.800 50 20 HBGD CC(=O)N1CC[C@](C)(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)C1 766641575 HJHRIBSVGPUQPY-NRFANRHFSA-N 415.494 -0.150 50 20 HBGD N=C1NC(=O)[C@@H](CC(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)S1 766643564 QUJFTBILWZNMJG-CYBMUJFWSA-N 418.479 -0.852 50 20 HBGD Cc1ccccc1CC(=O)NNC(=O)CN1CCN(C(=O)CN2CCCC2)CC1 766873513 RJVHNTVEHGRVBS-UHFFFAOYSA-N 401.511 -0.075 50 20 HBGD CCCCCCn1cc(S(=O)(=O)NNC(=O)[C@H]2COCCO2)c(O)nc1=O 769632904 FPBRLBPLXPIXEL-LLVKDONJSA-N 404.445 -0.746 50 20 HBGD CSCCNC(=S)NNC(=O)Cc1c(C)nn(-c2cncc3nnnn23)c1C 769767929 BBVSDOMUMCIHBH-UHFFFAOYSA-N 420.528 -0.277 50 20 HBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 771942437 YCFQKWUDNVYYEH-JEOXALJRSA-N 402.407 -0.131 50 20 HBGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)ncc1Br 773548301 YAWJXVDPJQURNM-SSDOTTSWSA-N 422.261 -0.824 50 20 HBGD CC(C)CS(=O)(=O)CC(=O)N1CCN(S(=O)(=O)CBr)CC1 777833570 WWOHOKCUZVANTO-UHFFFAOYSA-N 405.336 -0.116 50 20 HBGD O=C(N1CCN(S(=O)(=O)CBr)CC1)N1CCS(=O)(=O)CC1 788663316 AYPQZTMZYMJRIM-UHFFFAOYSA-N 404.308 -0.863 50 20 HBGD C[C@@H]1CCCN(C(=O)C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)C1 805564115 FLRGRTATOMQISV-IUODEOHRSA-N 405.407 -0.225 50 20 HBGD COCCn1nnc2c1CCN(CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C2 815129217 LKDMUXRQVCVTPF-UHFFFAOYSA-N 403.399 -0.348 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2cc(C)on2)cc1 916112289 NNGMSPMGOKIREQ-UHFFFAOYSA-N 409.424 -0.302 50 20 HBGD Cn1nc(C(=O)NNC(=O)Cn2nc3n(c2=O)CCCCC3)c2ccccc2c1=O 1248558574 VTGCUXDPEOBYHK-UHFFFAOYSA-N 411.422 -0.521 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3cnccn3)CCO2)C1 1779029518 YLHICDDPIXMOCK-LJQANCHMSA-N 411.422 -0.768 50 20 HBGD C[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CN3CC(=O)NC3=O)CCO2)C1 1783530006 QRDULMQLWQKSAQ-BONVTDFDSA-N 417.260 -0.849 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnc(N)s1)CCO2 1783933870 JYSACGIXFWMWQZ-QGZVFWFLSA-N 410.500 -0.458 50 20 HBGD CCN(C)[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786985232 TZYONBRSROVOGT-XIVBQZFQSA-N 417.315 -0.700 50 20 HBGD Cc1nccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)n1 1787690705 BEZLDJMLPJZXTL-IEZWGBDMSA-N 424.266 -0.628 50 20 HBGD CCC[C@@H](NC(C)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796192883 VZJIJGWVFIKEHJ-FCGDIQPGSA-N 415.299 -0.077 50 20 HBGD CC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797750434 CKRZTYJXTDUCPU-FVCICTRLSA-N 403.439 -0.743 50 20 HBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCS1)C2 1797754484 YWVVCZAIKZCDJU-NOXHYTERSA-N 419.507 -0.216 50 20 HBGD O=C(CCn1ccnn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2 1801394120 AWVVIGFIGFUDBJ-LYIQGSDWSA-N 404.240 -0.052 50 20 HBGD O=C(NC[C@@H]1CCN(C(=O)c2nc[nH]n2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807362842 KDCHCRGUORETSA-RDJZCZTQSA-N 420.238 -0.487 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)[C@@H]3CNC(=O)C3)sc2C1 1825207966 CEZYIJUREBTTMD-QWRGUYRKSA-N 422.511 -0.436 50 20 HBGD O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCBr)CCO2 1834824528 APRGZMXOUWKYAJ-HNNXBMFYSA-N 403.229 -0.684 50 20 HBGD O=C(c1c[nH]c(=O)cn1)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1838642839 ODTGQFAPDURGPZ-HNNXBMFYSA-N 405.238 -0.356 50 20 HBGD Cc1cc[nH]c1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840183513 IRESUEWPWXPKCK-HXUWFJFHSA-N 421.498 -0.234 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cocn3)C2)C1 1840183521 JJDCGAJDBMSGKP-SFHVURJKSA-N 409.443 -0.882 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccncc3)C2)C1 1840183672 SUKGCQPWDGSBHM-FQEVSTJZSA-N 419.482 -0.475 50 20 HBGD COc1cc(C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)nn1C 1844264815 KUHVVFRUUPIDMH-UHFFFAOYSA-N 413.438 -0.442 50 20 HBGD CCCn1c(=O)nc(O)c2c(C(=O)NNC(=O)[C@H]3COCCO3)cc(C3CC3)nc21 744649327 LGAXHMYDJHMRFV-CYBMUJFWSA-N 417.422 -0.039 50 20 HBGD Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NNC(=O)N2CCOCC2)CC1 745992056 UCJVNLNAYRDLCD-UHFFFAOYSA-N 415.472 -0.235 50 20 HBGD O=C(NNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc2c(c1)OCCO2 746386676 RNFYREOKNNEAED-HNNXBMFYSA-N 418.450 -0.601 50 20 HBGD Cc1c(/C=C(\C#N)C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc(C#N)n1C 749570828 BJWURTDGRCPZIT-CXUHLZMHSA-N 422.445 -0.068 50 20 HBGD Cc1cc(C)nc(-n2nccc2NC(=O)C(=O)NNC(=O)Cn2nc(C)cc2C)n1 760277688 OZUIIXZDQLBCJM-UHFFFAOYSA-N 411.426 -0.121 50 20 HBGD CCCC[C@H](NC(N)=O)C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 765731828 CJZQQZKFJSFVDK-INIZCTEOSA-N 418.498 -0.181 50 20 HBGD Cn1ncc2c(O)nc(NNC(=O)NCCS(=O)(=O)N3CCSCC3)nc21 770388243 YOMJYEHLFDIQDO-UHFFFAOYSA-N 416.489 -0.926 50 20 HBGD Cn1cnnc1SCc1ccc(C(=O)NNC(=O)Cn2ncn(C)c2=O)cc1 778524276 LSLIAYODDDRFTI-UHFFFAOYSA-N 402.440 -0.536 50 20 HBGD COc1ccc(C(=O)N2CCC[C@@H]2C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 798362787 KUTLTBLJCSRLBC-UKRRQHHQSA-N 409.464 -0.118 50 20 HBGD CCOc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1c(C(=O)OC)cnn1C 815565288 JDKLOBYJVJSRIL-UHFFFAOYSA-N 419.394 -0.230 50 20 HBGD CC(=O)N1CCN(Cc2ccc(NC(=O)C(=O)NNC(=O)[C@H]3CCCO3)cc2)CC1 815779112 RJFXMLCJCWVZHZ-QGZVFWFLSA-N 417.466 -0.384 50 20 HBGD O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NNC(=O)c1ccc(-n2cnnn2)cc1 913155445 OCUMFOZBSXATOP-YXAMBPQSSA-N 407.390 -0.770 50 20 HBGD O=C(NCCS(=O)(=O)CC1CC1)NNC(=O)C1CCN(c2ncccn2)CC1 1319762853 JKRKHXONJOYRLX-UHFFFAOYSA-N 410.500 -0.152 50 20 HBGD CON(C)S(=O)(=O)c1cccc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)c1 1321403174 HOUFITCXJSEXTF-ZDUSSCGKSA-N 405.498 -0.026 50 20 HBGD O=C1NCCn2nc(C(=O)N3CCO[C@@]4(CCN(C(=O)C(Cl)Cl)C4)C3)cc21 1783947154 MPJNPBVHFYCMKV-MRXNPFEDSA-N 416.265 -0.126 50 20 HBGD COCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)C[C@@H]21 1786493281 JACPFQVZOYBGHO-WCVSUZCSSA-N 405.455 -0.254 50 20 HBGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CS(C)(=O)=O)[C@H]2C1 1786648040 SGFOEKJIJYGWTJ-RHYQMDGZSA-N 411.318 -0.206 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)c1cnn2ccncc12 1788031969 CTNBQUXKFOQUSJ-MZGVZZPPSA-N 407.858 -0.078 50 20 HBGD CCOC(=O)N[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(Cl)Cl)C[C@@H]21 1788476068 SVWSQAUOLRQHPQ-YVNDNENWSA-N 412.270 -0.166 50 20 HBGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)N1)C2 1792867703 JVAAAKOIORCHDW-HNRZYHPDSA-N 402.289 -0.114 50 20 HBGD CC(C)[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1793384127 PPMGKUYHFYTXPR-NOXHYTERSA-N 421.523 -0.157 50 20 HBGD Cc1ncccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795732543 SHFTYUWQMSFKLG-HGKCTWBKSA-N 409.251 -0.413 50 20 HBGD COC(=O)C1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)CC1 1796190442 YEFBSUVWXSQYBC-MUJYYYPQSA-N 400.240 -0.429 50 20 HBGD C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)C(F)(F)F 1800548691 PUQKZIWFQRBIGT-AGGWBTHJSA-N 412.173 -0.312 50 20 HBGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCN(C)CC1)C2 1800759585 WYNFFDOGTDWYLF-AYDFFVQHSA-N 417.348 -0.393 50 20 HBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSCC(=O)OC)C2 1800971288 ULXWGCOFXHKHOC-OXIQGZBJSA-N 408.904 -0.264 50 20 HBGD O=C1CN(CC(=O)N2CC[C@H](CNC(=O)[C@H](O)CCl)[C@@H]2c2cccnc2)C(=O)N1 1803135668 FKWCYLVSEGJVJB-IOASZLSFSA-N 423.857 -0.761 50 20 HBGD O=C(Cc1ccccc1O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839907040 XVVIMNNLMXXSDN-QFBILLFUSA-N 412.870 -0.009 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)nn3)C2)C1 1840150519 NESTZOBABCOUKW-SJCJKPOMSA-N 414.846 -0.494 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(C)noc3N)C2)C1 1840152028 URIKGKWAGYEDCG-SJCJKPOMSA-N 416.862 -0.111 50 20 HBGD Cc1nc2ncccn2c1C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1843749032 NCLOQWZSKFQRDC-UHFFFAOYSA-N 419.250 -0.152 50 20 HBGD CCC(=O)N[C@H](C)C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844263460 HHAILJNICQTTHY-GFCCVEGCSA-N 402.455 -0.583 50 20 HBGD O=C(CNC1=NS(=O)(=O)c2ccccc21)NNC(=O)[C@@H]1COc2ccccc2O1 26973061 KDJGROITHSMILS-AWEZNQCLSA-N 416.415 -0.288 50 20 HBGD CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 736072736 RHBAYAFMDHYJCB-UPJWGTAASA-N 403.505 -0.276 50 20 HBGD O=C(NNC(=O)[C@@H](c1cccc(F)c1)N1CCOCC1)N[C@@H]1CCS(=O)(=O)C1 742055388 MSVPOQWUQJORMA-HUUCEWRRSA-N 414.459 -0.284 50 20 HBGD Cc1nc2ccccn2c1C(=O)NNC(=O)[C@@H](C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 746102564 IKSVRPHIVOGHDQ-FWZIUSJTSA-N 411.418 -0.045 50 20 HBGD O=C(CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)NNC(=O)C(=O)N1CCCC1 748239927 MWEMIEUNBXMUPZ-MRXNPFEDSA-N 413.434 -0.768 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(OC2CCCC2)nc1 764228208 VXCUSSRWEQEKNI-JTQLQIEISA-N 413.456 -0.573 50 20 HBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)n1 764566288 MJMDJMJQXJKUJN-CYBMUJFWSA-N 404.452 -0.114 50 20 HBGD COC(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 765372628 SOFIFKNVZNKARW-PHIMTYICSA-N 414.440 -0.190 50 20 HBGD Cc1ccc(CN2CCN(CC(=O)NNC(=O)[C@H](C)N3CCN(C)CC3)CC2)cc1 766648329 JIILJKVLVVXTOC-IBGZPJMESA-N 416.570 -0.104 50 20 HBGD COCCCOCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 775638042 XKNOODCVOIRNNG-UHFFFAOYSA-N 415.468 -0.478 50 20 HBGD C#C[C@H](NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)[C@@H]1CCCO1 776227713 IZVAHVKCSOHZHG-HOTGVXAUSA-N 422.511 -0.175 50 20 HBGD C[C@@H]1CCC(=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)[C@@H](n2cncn2)C1 794489004 VWSKBNIGKFYSNT-PWSUYJOCSA-N 406.472 -0.304 50 20 HBGD Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)NNC(=O)[C@H]1COCCO1 799258992 MEJMDOMADNOHBG-LSDHHAIUSA-N 420.422 -0.894 50 20 HBGD O=C(CN1CCOCC1)Nc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCCO2)cc1 815778597 YVVVLJJFBSKUEU-OAHLLOKOSA-N 419.438 -0.778 50 20 HBGD CCS(=O)(=O)N[C@H](C)C(=O)NNC(=O)c1sc(N2CCOCC2)nc1C 816828304 AATRJKOADUADEF-SNVBAGLBSA-N 405.502 -0.623 50 20 HBGD COc1ccc(NCC(=O)NNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1 914831577 CFXWOQSIFJVLTR-JSGCOSHPSA-N 424.479 -0.710 50 20 HBGD Cc1nn(C)c(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1[N+](=O)[O-] 918758327 MYGFGFOUHANFKQ-UHFFFAOYSA-N 410.412 -0.038 50 20 HBGD CC[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CC[C@H](N)C(N)=O)CCO2)C1 1783344062 YFQGOQQYFVISDZ-MQIPJXDCSA-N 419.320 -0.417 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4cccnn4n3)C[C@@H]21)[C@H](O)CCl 1784090813 CHKVVGMLFRDCLP-YUDUHTQSSA-N 407.858 -0.078 50 20 HBGD NC(=O)c1ccccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784091899 CAOOKRYFISGHHI-DDWPSWQVSA-N 409.870 -0.022 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccccn3)C[C@@H]21)c1cccc(B(O)O)c1 1786984478 KSMFNQBABWFBMQ-IEZWGBDMSA-N 409.251 -0.332 50 20 HBGD C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795737213 FGIQTWDQYSCGMC-JLVBRIDZSA-N 404.297 -0.511 50 20 HBGD COc1ccccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1798817055 QGBOMGBNBQXCSR-CWPLJXCYSA-N 424.262 -0.108 50 20 HBGD O=C(O)CSCC(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1 1833312819 GIKQCJVCEDGTDY-CQSZACIVSA-N 421.947 -0.025 50 20 HBGD COc1cccc(CC(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)n1 1843010736 WZWKOWVPNIAAPV-UHFFFAOYSA-N 409.251 -0.170 50 20 HBGD C[C@@](O)(C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnccc1C(=O)NN)C(F)(F)F 1847991180 YNHGZJSAYBWFQI-MQIPJXDCSA-N 415.372 -0.186 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCCS(C)(=O)=O)cc1 732891244 AHWZJWOKMIWJET-UHFFFAOYSA-N 420.513 -0.619 50 20 HBGD COc1ccc(S(=O)(=O)CCC(=O)NNC(=O)C(=O)NC(C)C)cc1OC 740815031 HQJUDRIJWYWVDX-UHFFFAOYSA-N 401.441 -0.460 50 20 HBGD COc1ccc(NCC(=O)NNC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 743298535 YBEYDOHWEHUBID-KNCCTNLNSA-N 416.434 -0.193 50 20 HBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)[C@H]2COCCO2)c(C(=O)OC)s1 745978907 VJHIRJNKDCBAQP-SSDOTTSWSA-N 408.410 -0.954 50 20 HBGD CC(=O)Nc1cncc(C(=O)NNC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)c1 746300340 DKKZGSNDLDVEOA-UHFFFAOYSA-N 404.408 -0.701 50 20 HBGD Cc1cc(S(N)(=O)=O)cc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1C 756632830 CULVNHLKMALPAW-JTQLQIEISA-N 404.470 -0.462 50 20 HBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)ccc1Cl 757476718 KEFCKGJESHJESR-ZETCQYMHSA-N 413.861 -0.626 50 20 HBGD Cc1cc(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc(C(=O)O)c1F 763285350 XOQOYDGSVHMJIP-QMMMGPOBSA-N 409.417 -0.488 50 20 HBGD NC(=O)c1cnn2c(C(=O)NNC(=O)c3nn(-c4ccccc4)cc3O)ccnc12 763476500 FETUFTJTMYJXHH-UHFFFAOYSA-N 406.362 -0.206 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(F)cc1C(F)(F)F 764225660 BUMWOWYZYJVBTQ-ZCFIWIBFSA-N 414.337 -0.132 50 20 HBGD COCCOc1ccc(F)cc1S(=O)(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 786724828 RZRBIMUZYRETEA-SNVBAGLBSA-N 410.445 -0.405 50 20 HBGD O=C(CN1CCC[C@@H](n2cc(CO)nn2)C1)NNC(=O)c1ccc([N+](=O)[O-])cc1 815142671 XQWJGIYBSVPFPO-OAHLLOKOSA-N 403.399 -0.223 50 20 HBGD COc1ccc(-n2nnc(C(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)c2C)cc1 919884363 DZGPTNNPAZYCCI-NSHDSACASA-N 408.440 -0.285 50 20 HBGD C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 919887135 ZPXMTPSFZFVBBC-UWVGGRQHSA-N 422.460 -0.990 50 20 HBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(C1)CN(C(=O)C(O)O)CCO2 1780095156 HASAUXIOWYSAPA-SFHVURJKSA-N 423.378 -0.726 50 20 HBGD N#Cc1c[nH]c(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)c1 1780332985 MSZMHYILHACFPE-HXUWFJFHSA-N 408.223 -0.677 50 20 HBGD CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1781401304 YLQNJSAUGWNBLS-MGPUTAFESA-N 417.271 -0.389 50 20 HBGD CC(=O)N(C)[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783935818 ZCGYMOMEBQURED-KUHUBIRLSA-N 411.503 -0.944 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccn3C)[C@H]2C1 1785894966 XFZNHNNJFVNIFF-ZOBUZTSGSA-N 405.499 -0.009 50 20 HBGD CCOCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1791738197 GDUBHKSVKHUTBB-SZMVWBNQSA-N 404.272 -0.614 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)[C@@H]1CCCS1 1791801148 GVQZWUMYNLRTSK-DKIMLUQUSA-N 418.324 -0.145 50 20 HBGD CC(C)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1792783270 MZHGCNKBWFRBEK-MIFYACCESA-N 408.691 -0.165 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1)C2)c1ccc(B(O)O)cc1 1795734720 MKMWALJKHXCEPA-UPHUGPLXSA-N 424.262 -0.351 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)[C@H]1Cc2ccccc2CN1 1796368946 NNFDVQJOXOSDJJ-MDMSPXHWSA-N 407.898 -0.110 50 20 HBGD CCc1oncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801009499 MOBLXCGOWILAGB-IVWMJMPLSA-N 407.471 -0.187 50 20 HBGD O=C(NC[C@@H]1CCN(C(=O)C2CC(O)C2)[C@@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807361364 WVGXUTCTRAKBCA-CLPROHDKSA-N 423.278 -0.148 50 20 HBGD C[C@@H](NC=O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1 1820880193 BMSLLHZEPCEHSP-OCCSQVGLSA-N 407.475 -0.091 50 20 HBGD C[C@@H](NC=O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1 1820880195 BMSLLHZEPCEHSP-TZMCWYRMSA-N 407.475 -0.091 50 20 HBGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)CCC(N)=O)C2)C1 1831647162 RHMHOGGXLJMHJW-SUNYJGFJSA-N 418.922 -0.557 50 20 HBGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)c3ncon3)C2)C1 1834823262 LVEBZXKALHCGED-CQSZACIVSA-N 403.233 -0.075 50 20 HBGD O=C1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](F)Br)C3)C2)N1 1835307811 KSFJQHWEVLPKTD-HCKVZZMMSA-N 422.251 -0.588 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CC)NC(N)=O)C2)C1 1839144770 KGGDXULVQFTITC-GDZNZVCISA-N 404.895 -0.093 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCOC[C@@]2(C1)CN(C(=O)C1(F)CCC1)CCO2 1840619857 ANLJRCMJCNSXOW-LJQANCHMSA-N 420.246 -0.671 50 20 HBGD N[C@@H](CC(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2)c1cccnc1 1842975564 BYYCSCPADHIJAH-SFHVURJKSA-N 408.267 -0.332 50 20 HBGD O=C(CSc1nc[nH]n1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843015199 SJLBEYSVYVZRHB-UHFFFAOYSA-N 401.257 -0.906 50 20 HBGD O=C(CN1CCN(CC(=O)NC2CC2)CC1)NNC(=O)c1cccc([N+](=O)[O-])c1 15488189 XZWDBXLSOJRANF-UHFFFAOYSA-N 404.427 -0.748 50 20 HBGD CC(=O)N1CCCc2cc(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)ccc21 728509643 JUQMLCPUFVDDNP-SNVBAGLBSA-N 418.497 -0.767 50 20 HBGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@H](CO)NC(=O)c2ccccc2)n1 728733382 WGHMSSZTRWBWGL-ZDUSSCGKSA-N 420.447 -0.524 50 20 HBGD O=C(NNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1)C(=O)N1CCCC1 729529947 PDESHIUMRFFFQT-CABCVRRESA-N 404.423 -0.472 50 20 HBGD Cn1ccc(N2CCC[C@@H](NC(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)C2=O)n1 743511402 KWARDGGLMVBROS-CQSZACIVSA-N 424.425 -0.465 50 20 HBGD O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=S)NCCc1cccs1 743822089 CGLODGWBARKLES-RFHZTLPTSA-N 408.505 -0.052 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 756794977 LQHCTDBTZOZHRL-JTQLQIEISA-N 415.476 -0.968 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 758042762 AROXVTQOYTVISW-OCCSQVGLSA-N 412.468 -0.127 50 20 HBGD CNC(=O)c1ccc(OC)c(NC(=O)C(=O)NNC(=O)Cn2nc(C)cc2C)c1 763892434 FLKJUHMOMJJHMO-UHFFFAOYSA-N 402.411 -0.346 50 20 HBGD C[C@H]1CCc2sc(C(=O)NNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)cc2C1 763942894 PPMMARMZZSDDLC-DTWKUNHWSA-N 402.498 -0.573 50 20 HBGD C[C@@H]1CN(C(=O)c2ccc(NC(=O)C(=O)NNC(=O)CN(C)C)cc2)C[C@@H](C)O1 764203319 HKRCHXROKSLRDY-CHWSQXEVSA-N 405.455 -0.417 50 20 HBGD COCC(=O)NNC(=O)C(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)OC)c1 764304243 XBIGUWGIXVMOGN-CQSZACIVSA-N 420.422 -0.413 50 20 HBGD CCOc1ccc(-n2ncc(C(=O)NNC(=O)CNC(=O)c3cccnc3)c2C)nn1 764343218 MVUIOMKHUMEKIW-UHFFFAOYSA-N 424.421 -0.045 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cccc(F)c2Cl)n(C)c1=O 765725879 UHJASNFSKYMTLH-UHFFFAOYSA-N 408.777 -0.313 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2cn(C)c(Cl)n2)c1 769823540 SXXWFWAVEMTUFW-UHFFFAOYSA-N 421.888 -0.053 50 20 HBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CCC(=O)N1CCN(c2ccccn2)CC1 772190536 HRDPULYWNLIIKG-AWEZNQCLSA-N 405.455 -0.001 50 20 HBGD O=S1(=O)CC[C@@H](S(=O)(=O)N2CCN(S(=O)(=O)CCCCCl)CC2)C1 780711264 XPIKNUNHMHJRNH-GFCCVEGCSA-N 422.978 -0.530 50 20 HBGD CN(NC(=O)CCS(=O)(=O)N(C)C)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 783705025 TZUGAQJCJKXJJD-UHFFFAOYSA-N 421.520 -0.096 50 20 HBGD Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 783825846 BZLOKYJOFSTLKA-ZETCQYMHSA-N 414.849 -0.196 50 20 HBGD COc1cc(C(=O)NCC(=O)NNC(=O)N2CCN(C)CC2)cc(OC)c1OC 788169992 VVZVIYHRRZEPBP-UHFFFAOYSA-N 409.443 -0.570 50 20 HBGD COCCNC(=O)c1cccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 806624738 GPFPQQGILJNAON-JTQLQIEISA-N 401.445 -0.847 50 20 HBGD COc1cc(C(=O)NNC(=O)NCCS(=O)(=O)N(C)C)cc(OC)c1OC 811851016 QRUOOZNJMREZKV-UHFFFAOYSA-N 404.445 -0.452 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1782963288 ZVRKUCWSOBZIRM-HEHGZKQESA-N 408.904 -0.353 50 20 HBGD COc1ncccc1C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783936247 JYZJDZDDOKNMGG-FQEVSTJZSA-N 419.482 -0.093 50 20 HBGD CCS(=O)(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C(Cl)Cl)C2)C1 1783941640 FQHJVUJABNBRGU-IINYFYTJSA-N 416.327 -0.052 50 20 HBGD CC(C)[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1784533066 IVAAJGMWHVNGNZ-DKIMLUQUSA-N 420.340 -0.086 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CO)o1 1798119206 HLQARGRNTBJPAT-IVWMJMPLSA-N 408.455 -0.652 50 20 HBGD CS(=O)(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798443514 DUFFOWODBLXMIU-CLLJXQQHSA-N 423.495 -0.628 50 20 HBGD O=C(NC[C@H]1CCN(C(=O)[C@H]2C[C@@H](O)C2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807365176 WVGXUTCTRAKBCA-JYBIWHBTSA-N 423.278 -0.148 50 20 HBGD C[C@@H](NC=O)C(=O)N[C@@H]1CCc2nc(NC(=O)CCC(=O)NN(C)C)sc2C1 1826088396 FUHBQBXJTBTXHQ-GHMZBOCLSA-N 410.500 -0.437 50 20 HBGD Nc1ncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)s1 1830722893 IOOHDBSSPZUIHI-BONVTDFDSA-N 404.876 -0.605 50 20 HBGD CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1 1830723890 STAHXRBFZCLVCL-KSSFIOAISA-N 416.906 -0.676 50 20 HBGD Nc1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cs1 1835789544 MNLGOQAVLYIZPN-NHYWBVRUSA-N 404.876 -0.605 50 20 HBGD CCS(=O)(=O)N1CCN(CC(=O)NNC(=O)c2ccc(OC)c(OC)c2)CC1 52113342 HSMNXMGGWRTQKX-UHFFFAOYSA-N 414.484 -0.568 50 20 HBGD O=C(CNC(=O)c1cccs1)NNC(=O)NCCCn1nc2n(c1=O)CCCC2 725874438 ZLULFLQGDYRDEO-UHFFFAOYSA-N 421.483 -0.407 50 20 HBGD NS(=O)(=O)NC[C@H]1CCCN(CC(=O)NNC(=O)c2cccc(Cl)c2)C1 730571867 VRSVIJDGHLKHTC-LLVKDONJSA-N 403.892 -0.394 50 20 HBGD COc1ccccc1CC(=O)NNC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 743318231 DRAIQCOJKHICTJ-KNCCTNLNSA-N 401.419 -0.062 50 20 HBGD COC(=O)c1cc(Cl)ccc1S(=O)(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 753769875 KOGNWEDTNNMONA-QMMMGPOBSA-N 410.857 -0.129 50 20 HBGD O=C(CN1C(=O)Cn2c(cc3ccccc32)C1=O)NNC(=O)C(=O)Nc1ccccn1 758834695 QDRLPXDBVPZTFH-UHFFFAOYSA-N 420.385 -0.195 50 20 HBGD CC(C)NC(=O)C(=O)NNC(=O)CCNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 760797952 BIXUWMTYKPZBDN-LBPRGKRZSA-N 413.475 -0.436 50 20 HBGD CNC(=O)Cn1cc(NC(=O)C(=O)NNC(=O)COc2ccc(Cl)cc2)cn1 763687096 ZBRGSDFXJVBHQL-UHFFFAOYSA-N 408.802 -0.553 50 20 HBGD CN(C)CCn1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])n1 763807337 AFIUYMUNTXSMAK-UHFFFAOYSA-N 419.398 -0.482 50 20 HBGD NC(=O)[C@@H]1CCCN1C1CCN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1 767459785 CFLHCUXFZPCTCL-INIZCTEOSA-N 418.454 -0.230 50 20 HBGD COc1cccc(S(C)(=O)=O)c1NNC(=O)CNS(=O)(=O)c1cn(C)cn1 768637959 CXKVPNFLGFCHOK-UHFFFAOYSA-N 417.469 -0.746 50 20 HBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 778438034 PPEYVQUINGIXEG-JYILRKAJSA-N 410.427 -0.789 50 20 HBGD CSc1cc2c(cc1NC(=O)C(=O)NNC(=O)C(=O)N1CCCC1)OCCO2 784003516 XZCJMKZNZSPZJY-UHFFFAOYSA-N 408.436 -0.112 50 20 HBGD CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)COc1ccc(OC)cc1 786414116 JYMWRPVDGBJEGG-UHFFFAOYSA-N 419.394 -0.230 50 20 HBGD C[C@@](O)(Cn1ccccc1=O)C(=O)OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 790669690 HZMKMWAPNPZXLJ-GOSISDBHSA-N 418.362 -0.488 50 20 HBGD CNC(=S)NCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2 1779375190 GBEPCPPMBJVLDN-PBFPGSCMSA-N 420.963 -0.416 50 20 HBGD CN(CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@](C)(Cl)CCl)C2)C1)C(=O)C(=O)O 1781231761 DTKXMCSQMPBWSL-HOTGVXAUSA-N 424.281 -0.404 50 20 HBGD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1)n1ccnc1 1791287897 BBQPFCBRLZRIIA-QAETUUGQSA-N 420.514 -0.203 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)C(=O)c1ccco1 1793926726 KULQCOPJFXCRJZ-XOIINTDNSA-N 412.207 -0.955 50 20 HBGD O=C(/C=C/c1ccco1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1794139020 WFONWCKLRIGRGM-DFBIAFCQSA-N 410.235 -0.124 50 20 HBGD CN(C)C(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCBr 1795112791 DMGMEFDLXAAGNU-GNXNZQSNSA-N 405.293 -0.368 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncc(F)c1)C2)c1ccc(B(O)O)cc1 1795732429 FGKLVMBIIULVRH-JLVBRIDZSA-N 413.214 -0.583 50 20 HBGD COC[C@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Br 1799350122 QXHNUHGKKUQPCN-FPYNETTCSA-N 424.267 -0.582 50 20 HBGD CCn1nc(C)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801011185 LWBQUFMFJDCQKK-CCWDJLKJSA-N 420.514 -0.212 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccncc1O)C2 1801011580 OWJYMOQOROLUPD-IVWMJMPLSA-N 405.455 -0.637 50 20 HBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)C(F)(F)F 1801035078 CTYWAFFHNHQTGW-WYFGTUCQSA-N 415.796 -0.492 50 20 HBGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2)n1cnnn1 1801440310 ZYRZZHKEKPYSEU-KAMPLNKDSA-N 405.228 -0.486 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)[C@@H]2C=CCN2)[C@@H]1c1cccnc1 1808224230 VNBMTZQRGYQBLH-UWVAXJGDSA-N 414.510 -0.012 50 20 HBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)C=CC2=O)[nH]n1)[C@@H](O)CCl 1814877861 MPZQKZFPNHOWPN-RYUDHWBXSA-N 409.830 -0.074 50 20 HBGD Cc1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cnn1C 1834420714 RCFWXJZIMKYYKR-PBHICJAKSA-N 400.863 -0.602 50 20 HBGD O=C(c1ccc(=O)oc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1834591165 LHWOGBCFZLHAOA-GUYCJALGSA-N 400.815 -0.691 50 20 HBGD CC(=O)NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCBr)CCO2 1834825245 UZNVKUURCFYCSY-INIZCTEOSA-N 420.304 -0.246 50 20 HBGD CC(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1837457067 UQPKFWCCHTYMMO-LJQANCHMSA-N 405.455 -0.589 50 20 HBGD Cc1ocnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1838208674 VKDWUWAIJOCGEY-LJQANCHMSA-N 423.470 -0.574 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3cncn3)C2)C1 1840156576 VZNGDYIWMLWEOP-JKIFEVAISA-N 415.878 -0.451 50 20 HBGD CCNS(=O)(=O)CCNC(=O)NNC(=O)c1nn(CC)c(=O)c2ccccc12 731760643 TXXAKDYNGOYPPV-UHFFFAOYSA-N 410.456 -0.700 50 20 HBGD CCC(=O)NNC(=O)[C@H](C)N1CCCN(S(=O)(=O)c2c(C)noc2C)CC1 732196765 FRGGUOADHNTSTA-LBPRGKRZSA-N 401.489 -0.066 50 20 HBGD CC(C)NC(=O)C(=O)NNC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 744446798 OIMRIXOUVZKRGK-UHFFFAOYSA-N 402.498 -0.253 50 20 HBGD O=C(NCc1cccc(OCCN2CCOCC2)c1)NNC(=O)C(=O)N1CCCC1 748460568 KKTOGQNLAIFLQA-UHFFFAOYSA-N 419.482 -0.150 50 20 HBGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)c(C)o1 751382318 SWZKVZGUZSMNEL-UHFFFAOYSA-N 419.460 -0.035 50 20 HBGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)nc1 760202919 HDSKBRQRNZUSPO-CMPLNLGQSA-N 400.461 -0.573 50 20 HBGD CNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)Cn2nc(C)cc2C)c2ccccc2O1 763885468 MJCVAEDYKXPJNT-HNNXBMFYSA-N 414.422 -0.812 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CCn2cnc3ccccc32)n(C)c1=O 766644118 OAKXVUYYWLSCEZ-UHFFFAOYSA-N 424.421 -0.979 50 20 HBGD COC(=O)c1ccc(C(C)=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)cc1 767762834 ATOUZTHJFWIGBJ-UHFFFAOYSA-N 405.436 -0.102 50 20 HBGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NCCS(=O)(=O)NC)nc1 784658313 MRWINBUCWBMSQJ-UHFFFAOYSA-N 408.506 -0.713 50 20 HBGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1ccccc1-n1ccnn1 794886457 KNPQLXRXEBTFAE-UHFFFAOYSA-N 414.451 -0.308 50 20 HBGD COc1ncncc1NC(=O)C(=O)NNC(=O)CNC(=O)OCc1ccccc1 797369318 SKUQSYFPLDCZRI-UHFFFAOYSA-N 402.367 -0.503 50 20 HBGD Cc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)NCC(F)(F)F)[C@@H](C)O)cc1 798314120 YADXJBQYVKXVPX-KOLCDFICSA-N 412.390 -0.085 50 20 HBGD Cn1cc([C@H]2C[S@@](=O)CCN2CC(=O)NNC(=O)c2cccc(C#N)c2)cn1 805751926 SRHJSXPYFJWEHM-HJWYETAXSA-N 400.464 -0.142 50 20 HBGD N#Cc1ccccc1OCC(=O)NNC(=O)NC1CCC2(CC1)NC(=O)NC2=O 807546211 JHHJJNZJCKGHKT-UHFFFAOYSA-N 400.395 -0.212 50 20 HBGD COC(=O)c1cn(-c2cccc(NC(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)c2)nn1 812980817 AVOFIYJSNWRQQN-SNVBAGLBSA-N 422.423 -0.359 50 20 HBGD Cc1nnnn1/C(=C/c1ccccc1)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 920746589 XWAXUGWMZGVVKN-OZYJXZHSSA-N 405.440 -0.503 50 20 HBGD CS(=O)(=O)[C@H]1CCCN(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)C1 1320235577 XYLPBJDUCXTAIM-AWEZNQCLSA-N 410.500 -0.057 50 20 HBGD Cn1cncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779031231 OCSIFPFOMFUPCP-LJQANCHMSA-N 413.438 -0.824 50 20 HBGD CC[C@@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779371371 SZRWPZZMLOCAAE-JXXFODFXSA-N 419.482 -0.417 50 20 HBGD O=C(CN1CCOC1=O)N1CCO[C@@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781324589 AIBLNIMXXOPBJU-FZMZJTMJSA-N 408.224 -0.041 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3cnn4c3CCC4)C2)C1 1782314632 VBITXXZNTLYYTP-OAQYLSRUSA-N 424.266 -0.734 50 20 HBGD CC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783932837 HHPLBPSLYOXFEN-BEFAXECRSA-N 411.503 -0.896 50 20 HBGD Cc1[nH]nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)c1F 1791288782 UKLJHSYPFREODZ-IHRRRGAJSA-N 424.477 -0.176 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCOCC1)C2)[C@@H](F)Br 1799346396 QBCDRGTUMDJQNM-AYRXBEOTSA-N 422.295 -0.011 50 20 HBGD O=C(Cc1ccc(O)cn1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830738836 VLZVHEQTFQYQTA-YJBOKZPZSA-N 413.858 -0.614 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnnn3C)C2)C1 1840031528 SSNFPWUWLNWAEL-XHDPSFHLSA-N 416.276 -0.332 50 20 HBGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1)n1cccn1 1840438785 PCABSHAWIYNGED-JKIFEVAISA-N 400.863 -0.500 50 20 HBGD CCOc1ccc(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)nn1 1843011837 YTSRLOSRLDWBMR-UHFFFAOYSA-N 410.239 -0.314 50 20 HBGD CC(C)N(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 26075639 ZMZRGWOHXGZVOY-CYBMUJFWSA-N 417.509 -0.089 50 20 HBGD O=C(CCOc1ccccc1)NNS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 60838579 FWNMKJPJAPSGNK-UHFFFAOYSA-N 404.404 -0.005 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 728214591 BDSUIRSFQCMVMH-LBPRGKRZSA-N 419.529 -0.997 50 20 HBGD N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NNC(=O)[C@@H]3COCCO3)CC2)cc1 746003357 PRDZBPOHEUYWMS-HNNXBMFYSA-N 423.451 -0.979 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccccc1N(C)S(C)(=O)=O 757661777 RCXXPOSZVCAQMW-VIFPVBQESA-N 407.474 -0.827 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 758030201 PDTYHSMLWMCAQN-MNOVXSKESA-N 408.477 -0.903 50 20 HBGD COCC(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)NCCC(C)C)cc1 764300399 ZTSUQTZXSXPJMI-UHFFFAOYSA-N 400.457 -0.257 50 20 HBGD COCCNS(=O)(=O)c1c[nH]c(C(=O)NNC(=O)Cc2ccccc2OC)c1 764319504 YYSKDLQVONQEFU-UHFFFAOYSA-N 410.452 -0.048 50 20 HBGD Cn1c(=O)c2cc(C(=O)NNc3cccc(S(C)(=O)=O)c3)cnc2n(C)c1=O 776530703 XTEYSXOOSQLDNX-UHFFFAOYSA-N 403.420 -0.207 50 20 HBGD COCCn1ccc(C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)n1 784296569 ZNNPTVKCUIRDRG-UHFFFAOYSA-N 409.468 -0.080 50 20 HBGD CC(C)c1cc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)n(-c2ncccn2)n1 789259768 MNWLTNPWDYLIOZ-JTQLQIEISA-N 410.460 -0.124 50 20 HBGD O=C1COC[C@@H](C[C@@H]2CN(C(=O)C(=O)NNC(=O)C3CCC3)c3ccccc32)N1 806980134 PKWCTZBXNPBTJT-ZIAGYGMSSA-N 400.435 -0.031 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NNC(=O)CS(C)(=O)=O)C2)cc1 919683391 ZXSMSXBYLMWYPC-CYBMUJFWSA-N 417.509 -0.412 50 20 HBGD Cc1ccn(C)c1C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1780405383 VROWFWLILGSWBK-OAQYLSRUSA-N 411.267 -0.229 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1CCCCC1=O)CCO2 1783937775 OIYKTRVXKZGFID-HXUWFJFHSA-N 423.514 -0.798 50 20 HBGD C[C@](O)(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)C(F)(F)F 1784872760 JBFUQMPSRJDRPN-JVWRJRKNSA-N 402.797 -0.121 50 20 HBGD CCn1nccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795732420 DGPRCNVAXNXEBZ-JLVBRIDZSA-N 412.255 -0.900 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@H]1CCOC1)C2)c1ccc(B(O)O)cc1 1795737052 YLFCQEPMNCGDPC-REGYPHIPSA-N 416.283 -0.614 50 20 HBGD CN1CCN(C2(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@@H](F)Cl)C4)CC2)CC1 1799191378 ZQALSNDZIPVDIK-LXTVHRRPSA-N 402.898 -0.110 50 20 HBGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnc(O)nc1O)C2 1802333174 NEIURYGCIOOKMA-ZSBIGDGJSA-N 406.443 -0.487 50 20 HBGD CNC(=O)CC(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807360012 OEWFEEDBXCCZGG-OXQOHEQNSA-N 424.266 -0.783 50 20 HBGD CN(C)C(=O)C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807361394 AHRYZTOILMPWPY-SJLPKXTDSA-N 424.266 -0.831 50 20 HBGD CC[C@H](O)C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815335693 KRYDUXCDZRSGLI-OCCSQVGLSA-N 403.269 -0.180 50 20 HBGD O=C1NC(=O)[C@H](CC(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H](O)CCl)CC2)N1 1824178855 LTUXYRPPMQQSMC-MELADBBJSA-N 414.890 -0.196 50 20 HBGD O=C(c1cnnc(Cl)c1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1833203770 JBJFTXFVJQFNET-MLGOLLRUSA-N 419.265 -0.200 50 20 HBGD N=C(N)SCC(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834822493 QJNPCNNNDCAJFH-AWEZNQCLSA-N 423.333 -0.146 50 20 HBGD CCC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](Cl)COC)CCO2)C1 1840150945 UJOMIZWCITZAQU-LBTNJELSSA-N 419.906 -0.389 50 20 HBGD O=C(CCN1CCCC1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840938380 RDCBOVGHVDUWSQ-CRAIPNDOSA-N 403.907 -0.472 50 20 HBGD COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)C1 1841340596 FPARHVMIKJIEHU-HZPDHXFCSA-N 414.267 -0.227 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1cc3n(n1)CCC3)C2 1844264334 HHFPCAOEFMHJFM-UHFFFAOYSA-N 409.450 -0.041 50 20 HBGD C[C@@H](O)C(=O)N1CC2(CCCN2C(=O)CN(C)NC(=O)NCc2ccccc2)C1 1845039539 ZEQCLEOTWGXRKC-OAHLLOKOSA-N 403.483 -0.083 50 20 HBGD CCc1c(C(=O)NNC(=O)NCc2ccco2)cnc2c1c(=O)n(C)c(=O)n2C 753972124 YDPZTPRAQOMYFO-UHFFFAOYSA-N 400.395 -0.068 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 755593494 LPBMNSSGAJZAMV-JTQLQIEISA-N 419.485 -0.683 50 20 HBGD CC(C)[C@H](C(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1)N1CCCS1(=O)=O 757715774 QQLAFJNGTUOGDY-IJEWVQPXSA-N 404.533 -0.307 50 20 HBGD NS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)CCOc2ccccc2)c1 764161935 XSMYGAKWBRIIAQ-UHFFFAOYSA-N 406.420 -0.111 50 20 HBGD CC(C)[C@H](C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)N1CCCCC1 766636264 MEFRDOWBMAFLRA-CQSZACIVSA-N 419.486 -0.908 50 20 HBGD CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 767685436 VKZRTIAIYCFLMC-MNOVXSKESA-N 408.477 -0.566 50 20 HBGD Cn1ncc2c(O)nc(NNC(=O)NCCS(=O)(=O)NCc3ccccc3)nc21 770348321 YGVNOONWHDDVPM-UHFFFAOYSA-N 420.455 -0.185 50 20 HBGD Cc1nc(CC2CC2)oc1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 789813465 ISILXVPFWNCKGR-UHFFFAOYSA-N 415.410 -0.856 50 20 HBGD Cn1nc(SCC(=O)NN=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n(C)c1=O 863968337 LOOSJTYDWMZDGQ-UHFFFAOYSA-N 418.414 -0.559 50 20 HBGD O=C(CNC(=O)NNC(=O)c1csc(N2CCOCC2)n1)Nc1cccnc1 1318130975 GLAAFBNSJUBVAQ-UHFFFAOYSA-N 405.440 -0.043 50 20 HBGD CC(C)S(=O)(=O)c1ccc(CC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 1337489681 WCWKNPCKEBYZKN-ZDUSSCGKSA-N 402.494 -0.007 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCCOC1)CCO2 1779035155 AAUHTFCBKWIVOG-VBKZILBWSA-N 417.466 -0.445 50 20 HBGD C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)n1ccnn1 1782762157 DXTITBBPFDWLPN-RDTXWAMCSA-N 407.475 -0.958 50 20 HBGD C[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)N(C)C)CCO2)C1 1783529984 ZZBAHFAUOSVAMQ-XHDPSFHLSA-N 405.293 -0.129 50 20 HBGD CC(C)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)CCC(N)=O)C[C@@H]21 1783846203 GRCBATBJTQWIOH-XUXIUFHCSA-N 402.923 -0.176 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(O)nc1)CCO2 1783934689 GIXMNYJDQDWBPJ-LJQANCHMSA-N 405.455 -0.396 50 20 HBGD CCn1nccc1C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783936403 MTHDXRPCOYXZQV-LJQANCHMSA-N 406.487 -0.281 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)[C@H]3C[C@@]3(F)Cl)C2)C1 1784068327 WYCRSTKJCNRANW-JLSDUUJJSA-N 410.638 -0.266 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(F)CCC3)C[C@@H]21)c1cccc(B(O)O)c1 1786986676 XLMMXVDDFADAAI-XIRDDKMYSA-N 404.247 -0.148 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)c1n[nH]cc1[N+](=O)[O-] 1788809827 OTNIURGBMZRDGY-QSFUFRPTSA-N 401.807 -0.489 50 20 HBGD C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)Br)C[C@@H]21)n1cnnn1 1791691659 ZFNACSGASMBDOL-MOLYVOAJSA-N 415.292 -0.003 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1Cc3ccccc3CN1)C2)[C@@H](O)CCl 1792978356 SCXRVXCMRHNGQT-ADHGMGHFSA-N 407.898 -0.110 50 20 HBGD C[C@](O)(C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2)C(F)(F)F 1793931043 ZNEWAPHGOJDXAN-LOUJCGABSA-N 414.189 -0.069 50 20 HBGD Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)cn1 1794171996 KCHMJDFDNSTFMO-UPHUGPLXSA-N 417.510 -0.105 50 20 HBGD C[C@@](O)(CC(=O)O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1802324084 HDSGOVXTBQRNID-QOIOWGMHSA-N 418.255 -0.766 50 20 HBGD C[C@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(N)=O)C2)C1 1830543839 FAWBQVICVYMIRS-WBMJQRKESA-N 420.304 -0.261 50 20 HBGD C[C@](O)(C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1)C(F)(F)F 1830725637 LFOUTJHFRNITEP-LEWSCRJBSA-N 418.796 -0.644 50 20 HBGD O=C(CCBr)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830726095 ULPHLYURVRIYFC-FZMZJTMJSA-N 413.696 -0.173 50 20 HBGD Cc1n[nH]c(C)c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830732398 XFGSNKLOOUXPIP-SUMWQHHRSA-N 400.863 -0.304 50 20 HBGD CN(CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](O)CCl)CC1)C(=O)C(=O)O 1831160306 GIYAMPKGNZRPAP-KGLIPLIRSA-N 417.890 -0.251 50 20 HBGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC=O)C2)C1 1839966290 ZWILQNBUMMBPMM-HEHGZKQESA-N 420.304 -0.249 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc[n+]([O-])c3)C2)C1 1840151040 VHMRSAYXBZCLLX-QAPCUYQASA-N 413.858 -0.356 50 20 HBGD Cc1nc(S(=O)(=O)NCCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cn1C 116610008 YBDJGDHMKWRQJB-CQSZACIVSA-N 423.451 -0.616 50 20 HBGD COc1ccc(S(=O)(=O)NNC(=O)c2ccoc2)cc1[C@@]1(C)NC(=O)NC1=O 140620958 CJLUMRYNQCKISN-MRXNPFEDSA-N 408.392 -0.034 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cccc(I)c1 729274723 BFTCWEHQKUTQFC-ZETCQYMHSA-N 411.221 -0.010 50 20 HBGD CCOc1ccccc1N1C[C@@H](C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)CC1=O 729276485 GMFIVCAEZRMTEV-NEPJUHHUSA-N 412.468 -0.477 50 20 HBGD CS(=O)(=O)N1CCC[C@H]1C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 732921836 OPDMOEIKTYCRQM-KRWDZBQOSA-N 423.539 -0.230 50 20 HBGD O=C(CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NNC(=O)Cn1cnc2ccccc21 742470916 CCDMUJQGCQXFHI-DTTOXWODSA-N 411.418 -0.264 50 20 HBGD COc1ccccc1OCC(=O)NNC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 746094614 NLOPTMKLNZQILR-VIZYAEIXSA-N 417.418 -0.228 50 20 HBGD CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)NNC(=O)COc2ccccc2C#N)C1=O 753020247 HHTLMUYIGYLBBP-YJYMSZOUSA-N 414.422 -0.012 50 20 HBGD CCn1cc([C@@H]2C[S@](=O)CCN2C(=O)NNC(=O)CNC(=O)c2ccco2)cn1 753120181 FJNFCCXYDHOFGT-CAMPQQCRSA-N 422.467 -0.228 50 20 HBGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)[C@H](C)NS(C)(=O)=O 758490822 CSQYAYSPPIUKRC-QMMMGPOBSA-N 407.832 -0.410 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc2c(cc1Cl)OCO2 764228546 YBLNBQCTSLNSRG-ZCFIWIBFSA-N 406.804 -0.908 50 20 HBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N(C)C)c1 764317741 PPZRBXZAHQHJEV-UHFFFAOYSA-N 416.456 -0.542 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2cccnc2Cl)n(C)c1=O 765313483 QWHVSQJLTKFSGI-UHFFFAOYSA-N 406.790 -0.665 50 20 HBGD CC[C@H]1C[C@@H](CC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CCO1 781710586 PITXYCYRFLZADL-RYUDHWBXSA-N 406.443 -0.824 50 20 HBGD O=C(CC1OCCCO1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 792773771 XGANCWMZSZMJKM-UHFFFAOYSA-N 413.452 -0.378 50 20 HBGD COCCOc1cc(OC)ccc1C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1116751637 QVHIDPSGLBAUES-NSHDSACASA-N 401.441 -0.149 50 20 HBGD Cc1nc(S(=O)(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c(Br)n1C 1323394366 GRIZKDXHNPBGGC-ZETCQYMHSA-N 415.291 -0.765 50 20 HBGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@@H]2CC23CCS(=O)(=O)CC3)n1 1326681616 ZQVXYOVBAPERBM-NSHDSACASA-N 415.493 -0.100 50 20 HBGD CCN1C(=O)c2ccc(C(=O)N([C@H]3CCS(=O)(=O)C3)N(C)C)cc2S1(=O)=O 1337564243 OSGXXUVGHLGXBL-LBPRGKRZSA-N 415.493 -0.043 50 20 HBGD CS(=O)(=O)CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781328121 ISTGGXPWVDBCMB-PWSUYJOCSA-N 401.254 -0.449 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1 1783871023 LOQWLCHMYWNZCJ-SCLBCKFNSA-N 413.858 -0.615 50 20 HBGD N[C@@H](Cc1cccnc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784090722 LQELCPBWIXJRFP-VIQHNZTISA-N 410.902 -0.469 50 20 HBGD NC(=O)c1ncccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1785515500 VHFWPBZTHCKVRK-DEQVHRJGSA-N 410.858 -0.627 50 20 HBGD Cc1nc[nH]c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1787646778 OPLJXAPHZBHPBZ-XIRDDKMYSA-N 412.255 -0.695 50 20 HBGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CNC(=O)C3)[C@H]2C1 1790862551 DBSWBTYMRSDKQB-WJTVCTBASA-N 402.289 -0.114 50 20 HBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCSCC1 1792467160 PNLVBOOHDKJRTA-FQLMCAECSA-N 405.948 -0.121 50 20 HBGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCN1CCOC1=O)C2 1802336596 OJHUPJBMPPIWOZ-QDMKHBRRSA-N 409.487 -0.160 50 20 HBGD O=C(c1[nH]nc2ncccc12)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830728908 YWBFSQUGHFFHAI-UGSOOPFHSA-N 423.857 -0.372 50 20 HBGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1)N1C[C@H]2C[C@H]2C1 1830731266 JETFAENYJBWKTM-RUEZSYAVSA-N 415.918 -0.617 50 20 HBGD C[C@H](CC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834819478 OTYDZEMNESJUNU-WBMJQRKESA-N 420.304 -0.261 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CCSC(=N)N)CCO2)C1 1835656285 IJTNNYCKAOHPRM-MLGOLLRUSA-N 422.935 -0.287 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1ccnn1)CCO2 1836209927 CZHFNTIETPASSW-QGZVFWFLSA-N 411.535 -0.414 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cc[nH]n3)CCO2)C1 1839723371 SJZXECCTQWVNLS-YOEHRIQHSA-N 400.863 -0.338 50 20 HBGD CC(C)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839848260 IGQCHVBIWCSCIU-OAQYLSRUSA-N 418.299 -0.127 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1840032408 XZVXFFUHOHVZFD-MKBNYLNASA-N 418.288 -0.495 50 20 HBGD COc1cccc(NCC(=O)NNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c1 728206065 SQGUWSLAALUJCN-TZMCWYRMSA-N 424.479 -0.710 50 20 HBGD CCCS(=O)(=O)CC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 728215568 GLBMKILUVHHFGG-UHFFFAOYSA-N 418.541 -0.109 50 20 HBGD Cc1cc(NC(=O)[C@@H](C)SCC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)no1 729276981 QGAAHZZUHUDNPA-RKDXNWHRSA-N 407.474 -0.872 50 20 HBGD Cn1ccnc1[C@@](O)(CC(=O)NNC(=O)CNC(=O)c1cccnc1)C(F)(F)F 764343262 NFNRMCHBRKQPPU-HNNXBMFYSA-N 414.344 -0.468 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2cc(-c3cccnc3)n[nH]2)n(C)c1=O 764815764 FLFRCIOLUHKNRN-UHFFFAOYSA-N 407.394 -0.631 50 20 HBGD COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NNC(=O)c2cnn(C)c2)C1=O 771271686 YFJJEYSWJYAICP-SFHVURJKSA-N 400.395 -0.343 50 20 HBGD O=S1(=O)CC[C@H](S(=O)(=O)N2CCN(S(=O)(=O)CCCCCl)CC2)C1 780711265 XPIKNUNHMHJRNH-LBPRGKRZSA-N 422.978 -0.530 50 20 HBGD O=C(O)c1cc(F)c(F)c(S(=O)(=O)NNC(=O)[C@@H]2CCc3nncn3C2)c1 793447929 OHAXFXRCJGRNJS-SSDOTTSWSA-N 401.351 -0.173 50 20 HBGD CN(CCNC(=O)NN[C@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1 798118417 WKNXXODAUPUJIY-OAHLLOKOSA-N 422.504 -0.173 50 20 HBGD C#CC[C@]1(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)CCCN1C(=O)OC(C)(C)C 809666282 SNEYTUAXTTVBFC-SJKOYZFVSA-N 416.500 -0.136 50 20 HBGD COc1cc(C(=O)NNC(=O)CNS(=O)(=O)c2cccnc2)cc(OC)c1OC 809949491 OYIWOVRKZWPNPJ-UHFFFAOYSA-N 424.435 -0.153 50 20 HBGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)CCn1cc(S(N)(=O)=O)cn1 817052834 SDWMWUQOPOUFBG-UHFFFAOYSA-N 416.485 -0.686 50 20 HBGD C[C@@]1(NNC(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)CCS(=O)(=O)C1 916294637 FGAMIYQRXSICIV-CQSZACIVSA-N 424.932 -0.001 50 20 HBGD CC(C)CNS(=O)(=O)c1ccc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 918209805 OUDNILPJQOSRSP-ZDUSSCGKSA-N 417.509 -0.183 50 20 HBGD C=CCN1C(=O)c2ccc(C(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)cc2C1=O 919884626 JFHFUTPUUYFTQM-LLVKDONJSA-N 406.420 -0.400 50 20 HBGD Cc1ncncc1C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1779666758 XNPTVDYETOZLRC-HXUWFJFHSA-N 410.239 -0.778 50 20 HBGD O=C(c1nn[nH]c1C(F)(F)F)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1780359431 LRGMWOYMPLWEQU-OQPBUACISA-N 411.768 -0.133 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCC(=O)N3C)[C@H]2C1 1789944045 KWZHPQAMVXKCQI-YTFOTSKYSA-N 401.891 -0.159 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)[C@H]1C[C@@]1(F)Cl 1791366455 BZMFQQMHOGRXFO-AFFGTUGMSA-N 424.665 -0.116 50 20 HBGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCCC1=O 1795452999 VGNVWDWHGNGOTQ-OHTBPHCPSA-N 402.289 -0.018 50 20 HBGD O=C(CN1C(=O)CNC1=O)N1CCCC2(CCN(C(=O)[C@@H](O)CCl)CC2)C1 1806582047 GZLBVFDTHTWRHM-LBPRGKRZSA-N 400.863 -0.631 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2=NNC(=O)C2)n[nH]1 1819344479 XSOHVDZSCRJTLE-CYBMUJFWSA-N 418.458 -0.349 50 20 HBGD C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1829766374 VLESLYGGMYBZBX-OEQZANGBSA-N 403.838 -0.164 50 20 HBGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCC(=O)NC1)CCO2 1829955743 AXLFQHOGRVEGLL-GLJUWKHASA-N 401.891 -0.014 50 20 HBGD CC(C)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)CCC(N)=O)C2)C1 1830359332 NFBXJUVSGBTYMV-SCLBCKFNSA-N 418.922 -0.699 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCOCC3)CCO2)C1 1835398897 SIKHLJNYORGKBS-CRAIPNDOSA-N 403.907 -0.208 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])C1 1843389946 WCDFESXPFOCNAE-UHFFFAOYSA-N 414.382 -0.553 50 20 HBGD COc1cc(/C=C(\C#N)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)ccc1OCC(=O)O 16881584 OTRXNPLPLRPAMV-IZZDOVSWSA-N 414.374 -0.072 50 20 HBGD COc1cc(C)nc(NNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)n1 746630816 OVIZENAPAPHOJY-UHFFFAOYSA-N 420.451 -0.329 50 20 HBGD O=C(NCCNC(=O)c1cccc(Br)c1)NNC(=O)C(=O)NC1CC1 750331693 WDHRGXPBBSEQIM-UHFFFAOYSA-N 412.244 -0.212 50 20 HBGD Cn1[nH]cnc1=NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 757759952 BYPBXYHJZNFUNF-UHFFFAOYSA-N 407.456 -0.122 50 20 HBGD CS(=O)(=O)C1(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CC1 791445282 JMVROBKOTKTRRN-UHFFFAOYSA-N 415.493 -0.191 50 20 HBGD CC[C@@H](C)CC[C@@H](O)CC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 793674561 KWKYDBIHXLGPEH-VXGBXAGGSA-N 408.459 -0.842 50 20 HBGD CCOC(C)(OCC)C(=O)NNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 807368428 DENUREVMPAXTIA-CQSZACIVSA-N 400.476 -0.896 50 20 HBGD COCCO[C@H]1COCC[C@@H]1NC(=O)NNC(=O)C1CCN(c2ncccn2)CC1 1116663028 SVIREFOXVPESIO-HOTGVXAUSA-N 422.486 -0.156 50 20 HBGD C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1784502656 ANOPLWDZLQTVNL-XIVBQZFQSA-N 416.283 -0.449 50 20 HBGD Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)cn1 1794655295 PUPFUWHVKILCHJ-IZZQQSIFSA-N 409.251 -0.413 50 20 HBGD C[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)N1C[C@@H]2C[C@H]2C1 1796188812 RZXFDNBWMLINPK-LTAPWVTPSA-N 411.311 -0.042 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(=O)n1O)C2)[C@@H](F)Br 1799347014 CJEJWVMOOQFURT-OTMMVIPVSA-N 418.219 -0.021 50 20 HBGD CN1CCN(CC(=O)N2CC[C@H](CNC(=O)[C@@H](O)CCl)[C@@H]2c2cccnc2)CC1 1803142900 MLLACDZDEQDVPB-AOIWGVFYSA-N 423.945 -0.066 50 20 HBGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CC[C@H](N)C(N)=O)CCO2)C1 1835736348 RGQVXSALRWTCJY-SUNYJGFJSA-N 418.922 -0.557 50 20 HBGD CC[C@H](C)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835927648 WCDPTGYQICIKOD-HRAATJIYSA-N 418.299 -0.127 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccncc3=O)C2)C1 1839148291 SVVQYQXELFNFKK-RDTXWAMCSA-N 412.874 -0.283 50 20 HBGD CCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839853061 VJLZRHWCQBVVGF-OAQYLSRUSA-N 418.299 -0.127 50 20 HBGD CCOC(=O)/C(C#N)=C/NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 18988609 FHRIMDCVVUASAF-WYMLVPIESA-N 408.436 -0.088 50 20 HBGD Cc1nc(S(=O)(=O)NCC(=O)NNC(=O)c2cnn(-c3ccccc3)c2)cn1C 733170182 REHCEHUBPNQJFL-UHFFFAOYSA-N 417.451 -0.346 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CCCCN1C(=O)c2ccccc2C1=O 754209019 XFIFYANCOIQVOL-NSHDSACASA-N 410.452 -0.462 50 20 HBGD Cc1cc(O)cc(=O)n1CCC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 754239591 AUDGHZJMXYESBC-UHFFFAOYSA-N 422.463 -0.036 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 758045422 OMKRVIHEVBNJEH-ZYHUDNBSSA-N 416.887 -0.226 50 20 HBGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NC[C@H]2CC[C@H](C(N)=O)O2)nc1 760205187 XHJAUSUYMJHSHM-DGCLKSJQSA-N 414.488 -0.229 50 20 HBGD Cc1nc(Br)ccc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764231742 PTBBVKWETKRBAL-SSDOTTSWSA-N 422.261 -0.824 50 20 HBGD C[C@@H]1CN(c2ccccc2NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)C[C@@H](C)O1 764425646 PRKADYTZCBCDPO-XJKCOSOUSA-N 406.439 -0.199 50 20 HBGD CCOC(=O)NNC(=O)C(=O)Nc1ccc(N2CCN(CC(=O)OC)CC2)cc1 765410306 UJGHNKKQKWDZHZ-UHFFFAOYSA-N 407.427 -0.303 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Cc2ccc(F)c(F)c2)n(C)c1=O 765729311 WOAHLMQURXNCJO-UHFFFAOYSA-N 406.349 -0.898 50 20 HBGD Cc1ccc(C(C)(C)C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 766638844 JMDODBWSINTCRF-UHFFFAOYSA-N 412.450 -0.133 50 20 HBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 771992939 IDTLHWUPAIJSQK-AVGNSLFASA-N 417.484 -0.853 50 20 HBGD CN(NS(=O)(=O)N1CCOCC1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 788917291 UVOOBAUUENXYSR-UHFFFAOYSA-N 407.493 -0.328 50 20 HBGD COc1nc(Br)ccc1NC(=O)C(=O)NNC(=O)C(=O)N1CCCC1 789589380 LIGXVQJWBOVLDP-UHFFFAOYSA-N 414.216 -0.439 50 20 HBGD Cn1ncc2cc(S(=O)(=O)NNC(=O)C3CCN(c4ncccn4)CC3)cnc21 1325822920 XSJQYQROENZTLB-UHFFFAOYSA-N 416.467 -0.016 50 20 HBGD C[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)CC[C@H](N)C(N)=O)CCO2)C1 1783533477 XFDPXXKZAHMDOO-ZIBATOQPSA-N 405.293 -0.808 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(O)nc3O)C[C@@H]21)[C@H](O)CCl 1784090666 KIXWULYTWLWFHL-IXLVHKGHSA-N 400.819 -0.919 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)c1cn2ncccc2n1 1788015311 CHLUHUXNPRORCL-VIRABCJISA-N 407.858 -0.078 50 20 HBGD CC(C)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)N3CCOCC3)[C@H]2C1 1788646454 WWGVBNFTCGSHKW-JKQORVJESA-N 417.934 -0.118 50 20 HBGD CC(C)(C)[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1792916222 JJSUQVIORYYIJH-NOXHYTERSA-N 419.482 -0.705 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSc1ncccn1)C2)[C@@H](O)CCl 1792977632 YEVJBKHHXUYTQU-OPDFLTKYSA-N 400.888 -0.242 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cccs1)C2)c1ccc(B(O)O)cc1 1795734407 GLZAWWGQNIEXMA-CCWDJLKJSA-N 414.292 -0.126 50 20 HBGD O=C(CCc1cccnc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1795873931 PKIUBNHZFXFHJL-RMFSNUHRSA-N 423.278 -0.403 50 20 HBGD CC[C@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)Br)C2 1796321980 KBCTXPULSFHHBQ-LDMBFOFVSA-N 405.293 -0.194 50 20 HBGD C[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2)N1C[C@H]2C[C@@H]2C1 1798318563 OCOALHIRGQMJEY-QQVSMIMBSA-N 411.311 -0.042 50 20 HBGD Cc1nccn1CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801012578 AYMXTAZWGFUKGR-CCWDJLKJSA-N 406.487 -0.846 50 20 HBGD CC(=O)NCC(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1812617098 LEFRIVPCXBQUID-FXAWDEMLSA-N 424.266 -0.783 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NC(C)=O)CCO2 1831477546 HOGKWJUCIZXTID-KDOFPFPSSA-N 419.906 -0.389 50 20 HBGD COC[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840182330 HGUYPTDHFWBBDS-HNAYVOBHSA-N 414.503 -0.902 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C34CC(C3)C4)C2)C1 1840186071 ZBGIYHMQGYFAHK-OAAAQFAESA-N 408.499 -0.384 50 20 HBGD CC(=O)NC(C)(C)C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1841621632 PGLSZXTVUBDMKW-UHFFFAOYSA-N 402.455 -0.583 50 20 HBGD Cn1c(C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)cccc1=O 1842351290 BKUNUBNOOZHBDR-UHFFFAOYSA-N 410.434 -0.485 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)[C@@H]2CCNC(=O)C2)C1 1846423027 CZAGBJZYAYFQQJ-GFCCVEGCSA-N 400.439 -0.972 50 20 HBGD COc1ccc(CN2C[C@H](C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)CC2=O)cc1 726499724 ILAGXFAPDZCKCI-ZIAGYGMSSA-N 409.464 -0.374 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 729276912 OEERQKKHPYPNBC-VHSXEESVSA-N 402.860 -0.222 50 20 HBGD Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 758148074 JLIVJXDOSINTLV-SNVBAGLBSA-N 406.442 -0.109 50 20 HBGD C[C@H](CC(=O)NNC(=O)C(=O)N1CCCC1)NS(=O)(=O)c1cccnc1Cl 760471236 VIYAOWJHKPKARY-SNVBAGLBSA-N 417.875 -0.438 50 20 HBGD COC(=O)c1cn([C@H]2CCN(CC(=O)NNC(=O)Cc3nc(C)cs3)C2)nn1 760883147 LRAHFHXYHOBYQO-NSHDSACASA-N 407.456 -0.533 50 20 HBGD CCN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NNC(=O)C3CC3)cc2)CC1 763557609 ILPPUKFTXBGFOY-UHFFFAOYSA-N 401.467 -0.111 50 20 HBGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1cccc(I)c1 764427044 XTTGNZYBZOIYEL-JTQLQIEISA-N 419.175 -0.208 50 20 HBGD NS(=O)(=O)c1cnn(CC(=O)NNC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)c1 765606621 CIBSOOZJNMYHAW-UHFFFAOYSA-N 407.387 -0.479 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cnc3c(c2)NC(=O)CO3)c1 770576557 ZFAZJXRWIRHZKC-UHFFFAOYSA-N 419.419 -0.262 50 20 HBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)[C@@H]1CCCCN1C(=O)c1ccc(O)nn1 778438032 PPEUJFBDZVBHCN-LBPRGKRZSA-N 422.442 -0.151 50 20 HBGD CN(C)CCCNS(=O)(=O)c1ccc(N2CC[C@H](B(O)O)C2)c([N+](=O)[O-])c1 864234365 UJWIQDGBYYJNQD-LBPRGKRZSA-N 400.266 -0.122 50 20 HBGD CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 914719728 OTGGOZOQBSRELW-JTQLQIEISA-N 421.472 -0.292 50 20 HBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2)c1cc(O)nc(O)n1 1778014908 HEFBOKVNBSJKPV-PSTGCABASA-N 414.846 -0.385 50 20 HBGD CC(C)O[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1779168318 YHMGBOPSQMJDKX-QRWLVFNGSA-N 404.272 -0.377 50 20 HBGD C[Si](C)(C)OCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1779295942 GWSMOARPADEEIQ-IBGZPJMESA-N 420.347 -0.339 50 20 HBGD N#Cc1ccc(C(=O)N2CC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)cc1 1780695351 BZVKGOCLCOTRJE-JOCHJYFZSA-N 419.246 -0.005 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CC[C@@]2(CN(C(=O)C[C@@H]3NC(=O)NC3=O)CCO2)C1 1781224747 NZDYQYIWXUVMJL-CIISACIHSA-N 421.281 -0.349 50 20 HBGD C[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)N(C)C)CCO2)C1 1783529982 ZZBAHFAUOSVAMQ-NHYWBVRUSA-N 405.293 -0.129 50 20 HBGD CC(C)(C#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1783683013 IRSWRIHFSHCTFL-RCBQFDQVSA-N 414.466 -0.172 50 20 HBGD CC(=O)NCC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784085866 QLQCBOVGBLACQK-XQLPTFJDSA-N 403.907 -0.272 50 20 HBGD CN[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]2C1)C(=O)O 1789923028 WLUPVBLMBQWPKF-JPYZYGQNSA-N 424.267 -0.281 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CC3(F)F)C[C@@H]21 1791290927 FFDXFAQRTJUFNQ-XUXIUFHCSA-N 402.442 -0.006 50 20 HBGD C[C@@](O)(CC(=O)O)CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796190459 ZNYZANOBXZUNLY-QOIOWGMHSA-N 418.255 -0.766 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)C1CC1)C2 1796439461 GMPLMDQSOXVPMH-DZEJFCAHSA-N 415.450 -0.311 50 20 HBGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)Cc1cccnc1)C2 1800975000 HQTHIHPGHBJPSK-BPKGMFCQSA-N 410.902 -0.205 50 20 HBGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)C=CC1=O 1801121038 SIKVAMFXQKWSDD-YYHMBLRTSA-N 414.256 -0.716 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)COCCO)CC1 1830375816 MFOPTQNBODWVIC-QGZVFWFLSA-N 412.531 -0.012 50 20 HBGD O=C(c1cnn2ncccc12)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830728052 NOWGFEVTOAJOPE-QAPCUYQASA-N 423.857 -0.601 50 20 HBGD COC(OC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1831039133 ZGGRVWGDARFKCH-IINYFYTJSA-N 413.240 -0.248 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2 1835309025 XYJQUGNTKVMUST-KDOFPFPSSA-N 413.547 -0.427 50 20 HBGD CN(C)C(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1835428716 LOUBFZOLNBKGIP-OAHLLOKOSA-N 406.277 -0.684 50 20 HBGD O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837440431 INPWVEMQKXMONQ-ZKWKGFFBSA-N 416.906 -0.486 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(N)=O)C2)C1 1837715930 SAIUQKHHRFIFKY-QGZVFWFLSA-N 401.536 -0.440 50 20 HBGD O=C(O)c1cnncc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1837946595 JSOJCJNHFRVDJW-MLGOLLRUSA-N 416.793 -0.221 50 20 HBGD C[C@H](CBr)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NC=O)CCO2 1839159075 OOTSUQDVCIHFRM-IOASZLSFSA-N 420.304 -0.392 50 20 HBGD O=C(CCn1cncn1)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840190936 WEIDHTXGJVBNKY-OAHLLOKOSA-N 406.270 -0.072 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCOC[C@]2(C1)CN(C(=O)C13CC(C1)C3)CCO2 1840597811 BPRLZLYIHNFDFD-UJWQOHNOSA-N 414.267 -0.764 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)[C@H](N)c1ccccn1)C2 1844263923 MCUDCAFGLWRHKA-MRXNPFEDSA-N 409.450 -0.403 50 20 HBGD Cn1nc(SCC(=O)NN=c2c(=O)c3cccc4cccc2c43)c(=O)n(C)c1=O 730568803 CFMZOZGAZQBGPN-UHFFFAOYSA-N 409.427 -0.255 50 20 HBGD C[C@H]1C[C@@H](NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C(=O)N1c1cnn(C)c1 743512415 VKTQLDCDWUVCOK-XHDPSFHLSA-N 424.425 -0.466 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CCCCN1C(=O)c2ccccc2C1=O 754208958 XFIFYANCOIQVOL-LLVKDONJSA-N 410.452 -0.462 50 20 HBGD CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)NNC(=O)COC 755440450 AFMJILNGEZAMNF-UHFFFAOYSA-N 416.456 -0.095 50 20 HBGD CCn1cc(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)c([N+](=O)[O-])n1 756937049 XTYQTESBVXZQND-UHFFFAOYSA-N 402.414 -0.388 50 20 HBGD O=C(CCCN1C(=O)CCC1=O)N1CCN(S(=O)(=O)CBr)CC1 758512550 NPPHRRGJQIQBNY-UHFFFAOYSA-N 410.290 -0.258 50 20 HBGD CCCCS(=O)(=O)NCC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 761134814 BTRJFUMWPMHCSQ-UHFFFAOYSA-N 420.513 -0.583 50 20 HBGD Cc1cccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2cnn(CC(N)=O)c2)c1C 763854368 PMNKMFITGMNIGY-LBPRGKRZSA-N 402.411 -0.461 50 20 HBGD CCCCS(=O)(=O)c1ccc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1 765846871 HZXSMTHQZQYHRV-LLVKDONJSA-N 405.498 -0.041 50 20 HBGD Cn1c(=O)oc2cc(S(=O)(=O)NNC(=O)CNC(=O)OC(C)(C)C)ccc21 777939443 OXEIFPZDNWNPTA-UHFFFAOYSA-N 400.413 -0.034 50 20 HBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 785657461 GNHAIPQWBKAPKD-LSDHHAIUSA-N 412.487 -0.708 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@H](C)c2ncnn2C)cc1 788886609 UAJZVUVLYODQOM-GFCCVEGCSA-N 409.472 -0.164 50 20 HBGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)[C@H]2CCc3nncn3C2)cc1OC 793447545 MJVWBWIXPGWDBV-JTQLQIEISA-N 409.424 -0.355 50 20 HBGD CN(C)C(=O)Cn1cnc(NC(=O)NNC(=O)CNC(=O)OCc2ccccc2)n1 797630617 JRJNNSJBKNQABY-UHFFFAOYSA-N 418.414 -0.555 50 20 HBGD CS(=O)(=O)NC1CC(NC(=O)NNC(=O)CNC(=O)OCc2ccccc2)C1 801059634 MRASAFIPGVMLMF-UHFFFAOYSA-N 413.456 -0.677 50 20 HBGD Cn1nc(SCC(=O)NN=Cc2ccc(C(=O)NC3CC3)cc2)c(=O)n(C)c1=O 912808725 SYSIWMMHKMYYMO-UHFFFAOYSA-N 416.463 -0.386 50 20 HBGD O=C(NNC(=O)c1cc(I)c[nH]1)N[C@@H]1CCS(=O)(=O)C1 1318863786 YAJQZZOSONXKCM-SSDOTTSWSA-N 412.209 -0.250 50 20 HBGD CN(C)N(C(=O)c1cnc2c(c1)c(O)nc(=O)n2C1CC1)[C@H]1CCS(=O)(=O)C1 1326113130 UYHYVXQZBLWTCU-LBPRGKRZSA-N 407.452 -0.062 50 20 HBGD CC[C@@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1 1778942444 GSRYZYAZSOCTRF-BMIGLBTASA-N 401.261 -0.134 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)c1cc2cccnn2n1 1789140806 PTXHGXXFOPNDPJ-YUDUHTQSSA-N 407.858 -0.078 50 20 HBGD CC(C)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795732691 LRICZFZYQWQRIR-MIFYACCESA-N 408.691 -0.165 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)c1nc2ccc(F)cn2n1 1800133227 VQJWQPCBSWOWIO-IQOUGMIPSA-N 411.821 -0.329 50 20 HBGD CC[C@H](O)C(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1803000166 IMJQKLWZWPTHEH-NEWSRXKRSA-N 411.267 -0.148 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CNC(=N)N)CC1 1831871817 XJMGXSVVXCCFCO-OAHLLOKOSA-N 409.535 -0.538 50 20 HBGD C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)C1 1835934188 PIURQXUJNCUAQF-OAQYLSRUSA-N 414.267 -0.597 50 20 HBGD O=C([C@@H](F)Br)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1 1839200330 FZHKXGQPTLBHPW-ZAZJYDDPSA-N 409.252 -0.096 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)OC)C2)C1 1840151640 JKTPMAJKBCTSJW-SUMWQHHRSA-N 406.863 -0.350 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)CCc1cncnc1)C2 1844264026 VXFUDZVKMGBTQM-UHFFFAOYSA-N 409.450 -0.075 50 20 HBGD COCCCNC(=O)NNC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2 65207690 MJUOYPWBDPWWIL-UHFFFAOYSA-N 401.441 -0.012 50 20 HBGD C[C@@H](C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1)N1C(=O)CCC1=O 728327439 LBJWQMATTGQHEX-GXFFZTMASA-N 405.363 -0.946 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccccc1Br 728509658 KNEWOEOCFLFHCC-ZETCQYMHSA-N 400.276 -0.304 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cnn(Cc2ccccc2)c1 728509863 QLFHRZQRUJTJKY-LLVKDONJSA-N 401.470 -0.821 50 20 HBGD CC[C@H](C)NC(=O)CN1CCN(C(=O)NNC(=O)CNC(=O)c2ccco2)CC1 728952139 USNMKYSTXCVYNV-ZDUSSCGKSA-N 408.459 -0.718 50 20 HBGD NC(=O)c1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)o1 747373357 LFNPSNDULTXJOR-UHFFFAOYSA-N 422.419 -0.526 50 20 HBGD CCN1C(=O)[C@H]2CN(CC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)CCN2C1=O 752339243 VDQWQEPLRGSJMU-CYBMUJFWSA-N 404.383 -0.676 50 20 HBGD COCC[S@](=O)Cc1cccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 756615133 WJKZWRQPUUIGDW-LJZMDLFKSA-N 420.513 -0.328 50 20 HBGD CC[C@@H](C)NC(=O)CN1CCN(CC(=O)NNC(=O)c2ccc(C#N)cc2)CC1 771089303 FXDQDMWSXUKKFJ-OAHLLOKOSA-N 400.483 -0.148 50 20 HBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O 772143163 BSKFSCRMCVRVHT-LLVKDONJSA-N 400.432 -0.445 50 20 HBGD C[C@@]1(C2CC2)NC(=O)N(CC(=O)NNC(=O)C(=O)NCc2ccc(Cl)cc2)C1=O 772196657 MEOGWXRHCGHJFN-SFHVURJKSA-N 421.841 -0.176 50 20 HBGD CCOC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)cc1 783999110 JWENUKJSIQEVRR-UHFFFAOYSA-N 406.395 -0.663 50 20 HBGD COC(=O)c1csc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)c1C 784002846 UXPMZBSIHOLMAV-UHFFFAOYSA-N 408.392 -0.048 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2coc(C3CCCC3)n2)n(C)c1=O 802560822 LNIFJYDNULLZGW-UHFFFAOYSA-N 415.410 -0.460 50 20 HBGD O=C(NNc1ccc(-n2ccnc2)nn1)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 1324423058 SJPFIIROQDHYHU-VXGBXAGGSA-N 405.440 -0.859 50 20 HBGD Cc1nn2cc(S(=O)(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)cnc2c1Cl 1336598005 BVIVKPXWTLMHHF-MRVPVSSYSA-N 407.861 -0.565 50 20 HBGD Cn1cc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)cn1 1779028429 LNNLPUGKSFBRNG-IBGZPJMESA-N 413.438 -0.824 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(=O)ccn3C)C2)C1 1780105682 DYYBARRNXLQAQI-HXUWFJFHSA-N 419.482 -0.798 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1nccs1 1786190448 CWYPXWYCZKDSJF-BPUTZDHNSA-N 415.280 -0.270 50 20 HBGD CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](F)Cl)[C@H]2C1 1787443132 AEHGAMVCLUNWHE-VLJOUNFMSA-N 413.899 -0.172 50 20 HBGD CCC(=O)N[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796188065 ZIOCUPRBUCDDOR-VDNDLQMASA-N 401.272 -0.467 50 20 HBGD C[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)N1C[C@H]2C[C@@H]2C1 1796188817 RZXFDNBWMLINPK-QQVSMIMBSA-N 411.311 -0.042 50 20 HBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Cl 1796366214 JYGRMUSZEJRPNN-ZUWCUPBKSA-N 408.810 -0.395 50 20 HBGD CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(O)O)C2 1798521533 MZIPHCDPXFMSCN-QHBPRCKVSA-N 423.378 -0.966 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812881982 GDJXETSZABVJJB-FOIQADDNSA-N 415.450 -0.452 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCCC3=O)CCO2)C1 1835413544 DPFBOZIJUFZQGL-KSSFIOAISA-N 417.890 -0.681 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3ncon3)CC2)CC1 1836047413 NPWJVMCZKZGUNK-UHFFFAOYSA-N 421.502 -0.372 50 20 HBGD O=C(c1cnc(O)[nH]1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1838069637 BCJGLGGGDBMOJM-YGRLFVJLSA-N 421.223 -0.124 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cccc(NC(=O)CCn2ccnc2)c1 729276313 CAVJDIZLUHLIER-GFCCVEGCSA-N 422.467 -0.389 50 20 HBGD CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NNC(=O)c1ccccc1O)CC2 763531321 MMIXLEJXVTYUCU-UHFFFAOYSA-N 418.431 -0.349 50 20 HBGD O=C(CNC(=O)c1cccnc1)NNC(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1 763814319 NTULKCSAWNKBRG-MRXNPFEDSA-N 410.434 -0.094 50 20 HBGD COc1ccccc1CC(=O)NNC(=O)C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 764138649 HCUFDVGXIQANLK-UHFFFAOYSA-N 410.390 -0.001 50 20 HBGD Cc1coc(-c2cccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c2)n1 764225657 BULOJEPYKYAFAK-SNVBAGLBSA-N 409.424 -0.326 50 20 HBGD CCOc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1OC 764230685 JLGHFXIWYWNZRS-SECBINFHSA-N 402.429 -0.883 50 20 HBGD C=CCN1C(=O)C(=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c2ccccc21 764813265 XPZYBOIAFKUGHN-UHFFFAOYSA-N 421.417 -0.513 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc(-n3cccn3)cc2)n(C)c1=O 765725871 UCTQJAUBRJFLLS-UHFFFAOYSA-N 422.405 -0.919 50 20 HBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C 772315738 LPGUGTMKOZNECF-NWDGAFQWSA-N 414.459 -0.009 50 20 HBGD COc1ccc(C)cc1N1C[C@@H](C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)CC1=O 919886407 WJODGRYKALGMOW-STQMWFEESA-N 424.479 -0.126 50 20 HBGD Cn1ncc2c(O)nc(NNC(=O)N[C@H]3CCN(CCN4CCOCC4)C3)nc21 1319870048 PLYIYKRRJPOLAG-LBPRGKRZSA-N 405.463 -0.899 50 20 HBGD O=C(C[C@H]1C=CS(=O)(=O)C1)N1CCN(S(=O)(=O)CBr)CC1 1320266334 VHNBPVDNCZBUBF-SNVBAGLBSA-N 401.304 -0.239 50 20 HBGD N=C1NCCN1CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781330485 AYPRVEZTKVIFAR-RISCZKNCSA-N 406.256 -0.653 50 20 HBGD C=C(C(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2)C(F)(F)F 1783203197 VTFISSWTRLHPDF-KRWDZBQOSA-N 412.173 -0.072 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)CCl)c1cc(=O)nc2cccnn12 1793113887 WMRWABGALZLOOL-OPDFLTKYSA-N 405.842 -0.059 50 20 HBGD CO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796445493 CGEUHWILSWTUDN-TZPANZPKSA-N 405.455 -0.255 50 20 HBGD CCS(=O)(=O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Br 1799344397 KZRFPDJTHGIEEH-QCMRWSPLSA-N 415.281 -0.299 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccncc1)C2 1801012498 KUXQLWJQNMSLRE-CWPLJXCYSA-N 403.483 -0.413 50 20 HBGD Cc1cnn(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1 1830722857 HPHIPYOTTRPGQT-RHSMWYFYSA-N 400.863 -0.752 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CS(C)(=O)=O)CCO2 1835257104 UXXLDUDZJHVYRX-INIZCTEOSA-N 422.576 -0.661 50 20 HBGD C[C@H](C(=O)N1CCC(OC2CCN(C(=O)[C@H](O)CCl)CC2)CC1)n1cnnn1 1836720060 HSWHARQHPDWTLH-IUODEOHRSA-N 414.894 -0.168 50 20 HBGD O=C([C@@H](O)CCl)N1CC2(CCCN2C(=O)[C@@H]2CCc3nc(O)nc(O)c3C2)C1 1842056947 VVIDQUAOMAPCHN-MFKMUULPSA-N 410.858 -0.204 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1ccccc1C(N)=O)C2 1844265141 XVMVVXHWJNBUMD-UHFFFAOYSA-N 422.445 -0.085 50 20 HBGD O=C(Nc1cccnc1)C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1844341136 BTHSVDLHTIZROM-UHFFFAOYSA-N 408.223 -0.783 50 20 HBGD CCC[C@@H](NC(C)=O)C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1847006093 XPPHTORGDOVZCS-QGZVFWFLSA-N 401.272 -0.512 50 20 HBGD CCNC(=O)NNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 65191210 ISRNXGAEHYHCIX-UHFFFAOYSA-N 411.484 -0.350 50 20 HBGD CCCOC(=O)c1ccc(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 727796501 AAVCCLKGXKHXGO-LBPRGKRZSA-N 419.481 -0.067 50 20 HBGD O=C(NCCc1cccs1)NNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 729344481 VOJFHLIHDMBHPT-CQSZACIVSA-N 409.512 -0.198 50 20 HBGD N#Cc1ccc(OCC(=O)NNC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 742470798 KCDBCZDYKWFHSF-KNCCTNLNSA-N 412.402 -0.363 50 20 HBGD C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNC(=O)NCCc1cccs1 755238796 UVXHBUQEOBUTRC-SNVBAGLBSA-N 400.486 -0.279 50 20 HBGD COc1ccccc1SCC(=O)NNC(=O)NCCNS(=O)(=O)NC(C)C 759537724 DSKKKBZDDUTSLD-UHFFFAOYSA-N 419.529 -0.050 50 20 HBGD COc1ccccc1-c1cc(C(=O)NNC(=O)CN2C(=O)C(=O)N(C)C2=O)n[nH]1 763152750 INKJSIWYRCCGHP-UHFFFAOYSA-N 400.351 -0.733 50 20 HBGD CCCN1C(=O)CCc2cc(NC(=O)C(=O)NNC(=O)[C@H]3COCCO3)ccc21 764425416 PNQWHUDWILBPGU-OAHLLOKOSA-N 404.423 -0.123 50 20 HBGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 764432529 IDCYOENOVBCIKH-CYBMUJFWSA-N 401.383 -0.824 50 20 HBGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C 770992032 UYNGCLYALMRXIK-SNVBAGLBSA-N 409.509 -0.195 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CNC(=O)c1ccc(Br)cc1 771735288 LUDZDDVKENSXBM-QMMMGPOBSA-N 421.273 -0.736 50 20 HBGD COc1c(C)cc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1C 773312124 RPZSQLAEFSIQBK-UHFFFAOYSA-N 414.422 -0.480 50 20 HBGD COCCNC(=O)CN1CCN(CC(=O)NNC(=O)c2cccc(Cl)c2)CC1 781431344 PDISLCTUHRRAHT-UHFFFAOYSA-N 411.890 -0.519 50 20 HBGD CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 794825717 XBXSKOVGUBTNPP-VXGBXAGGSA-N 405.473 -0.406 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)CNS(=O)(=O)c1ccc(Cl)cc1 810308430 YDPGTJWPCFSDKZ-UHFFFAOYSA-N 414.827 -0.211 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(O)nc1)CCO2 1783934686 GIXMNYJDQDWBPJ-IBGZPJMESA-N 405.455 -0.396 50 20 HBGD CSCC[C@@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783938149 VSPUINYDKWLLTI-RDTXWAMCSA-N 416.544 -0.697 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1ccncn1 1787566272 GZNXMAQSHAOVRG-ZVZYQTTQSA-N 410.239 -0.937 50 20 HBGD CC[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 1789865388 SKIQPCXJPIFVDZ-CYDGBPFRSA-N 403.863 -0.474 50 20 HBGD CCC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)N1CCOCC1)C2 1793449309 SYDYXTBXDCRZDW-PFFSRIRZSA-N 403.907 -0.366 50 20 HBGD O=C(CCC(=O)N1CCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1793803499 WXRXSCXIDIMSFT-LOUJCGABSA-N 401.891 -0.422 50 20 HBGD Cc1nc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)cs1 1794082444 YVTQLJJNONYJAC-HBCWATKFSA-N 423.539 -0.043 50 20 HBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCOCC1 1795881445 RROKJWVVNSEBIJ-QDMKHBRRSA-N 416.482 -0.731 50 20 HBGD CC(C)O[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1797859884 PWKQTYDAKGZAAC-ZJOBFFGXSA-N 419.482 -0.298 50 20 HBGD CN1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](F)Br)CC1 1799349814 LLDGDFMSDFUQHN-AYRXBEOTSA-N 421.311 -0.486 50 20 HBGD CC[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CNC(=O)C1)C2 1800644001 BZURGUGHOHCXDX-YGEZULPYSA-N 402.289 -0.114 50 20 HBGD Cc1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801011569 UIZFKBCSFHUVIY-CCWDJLKJSA-N 403.483 -0.034 50 20 HBGD CCOC(=O)N[C@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCC(=O)NN(C)C 1802337940 XRXYUXFZDBJEGO-IPJQOSJUSA-N 413.475 -0.938 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CSCC(=O)O 1802361294 ZHIYULADBLSJDH-CLLJXQQHSA-N 400.501 -0.185 50 20 HBGD CN(C)C(=O)NCC(=O)N1CC[C@H](CNC(=O)[C@H](O)CCl)[C@H]1c1cccnc1 1803137053 HSDKFLGVJDAEOB-IIAWOOMASA-N 411.890 -0.042 50 20 HBGD O=C([C@H](F)Br)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830733721 RLWNWMDPZLUKEK-KWBADKCTSA-N 417.659 -0.267 50 20 HBGD C[C@@H](CBr)C(=O)N1CCOC[C@@]2(CN(C(=O)COCCO)CCO2)C1 1839191745 DTXXRNJOAIRMFH-XJKSGUPXSA-N 423.304 -0.517 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(=O)oc3)C2)C1 1840151091 VYZQWTPPPVWIDP-KSSFIOAISA-N 414.842 -0.036 50 20 HBGD C[C@H](CBr)C(=O)N1CCCC12CN(C(=O)CN1CC(=O)NC1=O)C2 1841285927 XWWIIXUQCKQUOF-SNVBAGLBSA-N 401.261 -0.227 50 20 HBGD C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841347907 CVHUSLKBJMXPGK-BMFZPTHFSA-N 423.897 -0.031 50 20 HBGD O=C(Cc1cn2c(nc1=O)SCC2)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841352535 UIGXETGUSCOZKN-LBPRGKRZSA-N 412.899 -0.305 50 20 HBGD CCCNC(=O)CCC(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1841538346 FIRUKCRQRUWIAP-UHFFFAOYSA-N 416.482 -0.192 50 20 HBGD O=C(Cn1cc(Cl)cn1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011103 QSTUHIYJPSHINC-UHFFFAOYSA-N 402.647 -0.267 50 20 HBGD C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NNC(=O)c2ccc(C)cc2)C1=O 726043859 UFCUCDGJWUDBBO-UHFFFAOYSA-N 402.363 -0.724 50 20 HBGD COc1cccc(NCC(=O)NNC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)c1 728205684 ALALZBDOLMPBAE-UHFFFAOYSA-N 412.406 -0.486 50 20 HBGD C=CCOCC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 729301944 PDYQCXJWRMLGHG-UHFFFAOYSA-N 411.480 -0.010 50 20 HBGD O=C(CNS(=O)(=O)c1ccc(Cl)cc1)NNC(=O)[C@H]1CCS(=O)(=O)C1 732308003 QEAHTCIIGZFQHM-VIFPVBQESA-N 409.873 -0.800 50 20 HBGD CN(CC(=O)NNC(=O)C(=O)N1CCCC1)S(=O)(=O)c1ccc(Cl)cc1 748247391 ZRTVXFUKUUGXNA-UHFFFAOYSA-N 402.860 -0.270 50 20 HBGD CNS(=O)(=O)[C@H]1CCN(CC(=O)NNC(=O)c2ccc(OC)c(OC)c2)C1 750189962 DBAINBVQCBVELW-LBPRGKRZSA-N 400.457 -0.912 50 20 HBGD C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NNC(=O)CNC(=O)c2ccco2)C1=O 751206675 LKURGVSGBAPTPP-IBGZPJMESA-N 413.390 -0.376 50 20 HBGD C[C@@H]1CN(CCC(=O)NNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)C[C@@H](C)O1 751425595 KBUQJWIZMMLCRX-CHWSQXEVSA-N 411.484 -0.869 50 20 HBGD Cc1nc(N2CCOCC2)ccc1NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 757732607 IUYZRMAUHOHKBB-LLVKDONJSA-N 400.461 -0.683 50 20 HBGD COCCOc1cc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)nc2ccccc12 758032115 ZMJYQPYSRUKGIR-NSHDSACASA-N 410.452 -0.041 50 20 HBGD CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)C1 765070532 KUBLZHNOBYOILD-WDEREUQCSA-N 406.461 -0.860 50 20 HBGD CC(C)(C)OC(=O)NCC(=O)NCC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 766760121 XGEVDRGSZPDYQD-UHFFFAOYSA-N 418.414 -0.936 50 20 HBGD Cn1cc(C(=O)NNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)cn1 780749331 FMXYKKFJWIIPRA-OCCSQVGLSA-N 411.415 -0.856 50 20 HBGD Cc1ccccc1-n1cc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)nn1 807976217 NLMVZRNFQPZEFN-UHFFFAOYSA-N 421.421 -0.527 50 20 HBGD CN(CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](F)Cl)C1)C(=O)C(=O)O 1778029582 OSBPVOJSIKQLOX-NSODJVPESA-N 407.826 -0.422 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 1783585048 BEFABDURMGKKJJ-WIRSXHRWSA-N 414.267 -0.623 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(CO)o1)CCO2 1783936067 QRGRWDSKAPNJKK-LJQANCHMSA-N 408.455 -0.412 50 20 HBGD CCCNC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21 1784374201 NGUZNQUXLYXWRG-AJNGGQMLSA-N 403.907 -0.128 50 20 HBGD C[C@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)O3)C[C@@H]21 1791055072 IDKFQSBRKYXJHG-HTFCKZLJSA-N 404.261 -0.142 50 20 HBGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)NC1 1792582322 AKMNZFBVFLQVAR-GCQYFTOKSA-N 402.289 -0.114 50 20 HBGD COc1ccc([C@H](O)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)cc1 1792975748 WWDMNEGFUSLHBT-IEHFGQBSSA-N 412.870 -0.082 50 20 HBGD Cc1ncsc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1794800770 FYDIKNJSEKILBD-MIFYACCESA-N 415.280 -0.352 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3C(=O)CNC3=O)CCO2)C1 1832332915 YJPUTWYKTBPXDC-PXAZEXFGSA-N 416.862 -0.988 50 20 HBGD Cc1[nH]nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1F 1833667337 PCWVKXNGXPQIOI-MEDUHNTESA-N 404.826 -0.473 50 20 HBGD CN(C)CC(=O)N1CCC(OC2CCN(C(=O)c3ccc(B(O)O)cc3)CC2)CC1 1837686015 HNRXRXYJUNULJG-UHFFFAOYSA-N 417.315 -0.460 50 20 HBGD C[C@@H]1C[C@]1(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839086816 IDTGFNZBAOFKKW-GQWLDOHISA-N 416.283 -0.518 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccn3C)C2)C1 1840149868 CFHQOVDPAGGMSF-DYVFJYSZSA-N 400.863 -0.256 50 20 HBGD O=C(c1cnc2[nH]ncc2c1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011518 LPEVYDVCWYGWON-UHFFFAOYSA-N 405.223 -0.232 50 20 HBGD CC[C@@H](N=c1nn[nH]n1-c1ccccc1)C(=O)NNC(=O)CNC(=O)c1ccco1 729530419 BWWCTHOFKNBPSP-CYBMUJFWSA-N 412.410 -0.555 50 20 HBGD CCn1nc(C(=O)NNC(=O)NCC(C)(C)NS(C)(=O)=O)c2ccccc2c1=O 731761619 VGCLUZDWQPXRGD-UHFFFAOYSA-N 424.483 -0.312 50 20 HBGD O=C(NNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1cccc([N+](=O)[O-])c1 746387143 FXTDIBDGFJZKEH-AWEZNQCLSA-N 405.411 -0.464 50 20 HBGD COc1cc(C)nc(NNC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)n1 746765497 QNISMEHDDYCMDR-GFCCVEGCSA-N 402.477 -0.092 50 20 HBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)CCNS(=O)(=O)c1cccnc1 778445384 LBIIFGRAUHVGON-UHFFFAOYSA-N 401.445 -0.578 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)NCCOCCN(C)C)cc1 788017191 IXMZYTWMMBUDAH-UHFFFAOYSA-N 415.516 -0.476 50 20 HBGD CNS(=O)(=O)N1CCC(C(=O)NNC(=O)[C@H](C)Oc2ccccc2F)CC1 794780075 JLMQZGUFCHURNS-NSHDSACASA-N 402.448 -0.083 50 20 HBGD O=C(NNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)c1ccc2c(c1)OCO2 912952982 JSFBHVVLZIWYBU-NEPJUHHUSA-N 409.420 -0.788 50 20 HBGD CC[C@H](C)NC(=O)CN1CCN(CC(=O)NNC(=O)Cc2nc(C)cs2)CC1 913054496 WHUGXWVGWONIJD-ZDUSSCGKSA-N 410.544 -0.326 50 20 HBGD Cn1cc(C(=O)C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cn1 1115921702 BNGNTIFUCPKQEH-UHFFFAOYSA-N 405.436 -0.152 50 20 HBGD O=C(NNC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)N[C@H]1CCS(=O)(=O)C1 1319918725 QSCLAUNEOIZMFA-VIFPVBQESA-N 411.408 -0.186 50 20 HBGD C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1778969220 GJOYOOHMDOKHPA-LAUBAEHRSA-N 416.283 -0.617 50 20 HBGD C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1778973945 OSTXCPHRYXCCLF-MGPUTAFESA-N 410.515 -0.238 50 20 HBGD COC[C@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1779315509 KBNJNVAZEVBFJH-MAUKXSAKSA-N 415.563 -0.181 50 20 HBGD C[C@@H](Br)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CNC(N)=O)C1 1783290831 XGWDMUSALOYCFS-UEKVPHQBSA-N 405.293 -0.048 50 20 HBGD COC[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1784609710 BMPUVTKWFPGTLQ-KCMWZYNZSA-N 404.272 -0.758 50 20 HBGD CCC(=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788609794 KVIJJKZNYBCFMP-PJODQICGSA-N 403.439 -0.743 50 20 HBGD COCCn1nccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](Cl)COC)C2 1796587592 DVZVMQAUVZRKKB-FQLMCAECSA-N 414.890 -0.014 50 20 HBGD CCC(=O)N[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798439495 CWMNJRVMGOQQHV-FQUUOJAGSA-N 416.482 -0.148 50 20 HBGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCNC1=N)C2 1800756209 HMPRCTBPECGNAA-HNCHTBHHSA-N 402.293 -0.801 50 20 HBGD CN[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)Br)C(=O)O 1800757058 UCXABRTYAZYRMX-CFDXXZMTSA-N 406.277 -0.578 50 20 HBGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)n1cnnn1 1801431745 GQOUBEWQDYHAGC-OFTGVCEQSA-N 415.292 -0.145 50 20 HBGD O=C(CN1CC(=O)NC1=O)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@@H]1c1cccnc1 1804183687 RJQHUYPWRNKPAM-WOSRLPQWSA-N 423.857 -0.761 50 20 HBGD Cn1ncnc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817473049 AXAGPRILOBYCRW-OAHLLOKOSA-N 423.242 -0.162 50 20 HBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)Cn2nccn2)[nH]n1)c1cccc(B(O)O)c1 1817477379 WVWJRLXKXGJZNJ-INIZCTEOSA-N 423.242 -0.313 50 20 HBGD CC(=O)NCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1 1821947336 JWPZJFBJVTYJPX-CQSZACIVSA-N 407.475 -0.089 50 20 HBGD CC(C)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)CS(C)(=O)=O)C2)C1 1830359156 MBGRMQTWEVBRRE-INIZCTEOSA-N 410.920 -0.248 50 20 HBGD Cc1nn(C)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1F 1833702135 KXJCJKPSWSGTBY-SJKOYZFVSA-N 418.853 -0.463 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC=CO1)CCO2 1837419181 UVBYUZIKEQQQRH-UZLBHIALSA-N 424.498 -0.492 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCSC(=N)N)C2)C1 1840151733 MVLCQEDETXGTHG-MLGOLLRUSA-N 422.935 -0.287 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn3C)C2)C1 1840183716 VRJMTXKRJBHRBU-FQEVSTJZSA-N 421.498 -0.532 50 20 HBGD Cn1c(CC(=O)NNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)nc2ccccc21 16179151 GNWYWUOKVKVETM-UHFFFAOYSA-N 414.447 -0.239 50 20 HBGD O=C(NNS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)c1ccc2c(c1)OCO2 23371396 LWLHFBKHRSDKSB-UHFFFAOYSA-N 404.360 -0.432 50 20 HBGD CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 730076291 ZJDOEBSHFHZBQT-GHMZBOCLSA-N 406.530 -0.158 50 20 HBGD O=C(COc1ccccc1O)NNS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 730811884 GZEPLTOJVYVARH-UHFFFAOYSA-N 406.376 -0.690 50 20 HBGD Cn1nnnc1-c1cccc(S(=O)(=O)NNC(=O)CNC(=O)c2ccco2)c1 742030094 QDMMBOFEAGLMOJ-UHFFFAOYSA-N 405.396 -0.790 50 20 HBGD Cn1c(N)c(C=NNC(=O)CCN2CCN(c3ccccc3)CC2)c(=O)n(C)c1=O 749806524 DNDKGXFZHBZQTP-UHFFFAOYSA-N 413.482 -0.671 50 20 HBGD C=C[C@H](CC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1 759610610 VWIOLHDQOGNHGT-CYBMUJFWSA-N 410.434 -0.059 50 20 HBGD COC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)Cn2nc(C)cc2C)cc1 763886788 YUEYMYWXSAOEPM-UHFFFAOYSA-N 403.395 -0.162 50 20 HBGD C[C@H](C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1)N1CCN(C)CC1 766640290 CKWFYYTUIKTCOV-QGZVFWFLSA-N 416.526 -0.772 50 20 HBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)CCNS(=O)(=O)c1cccnc1 771995515 SGDQOOWCAKZYIZ-LBPRGKRZSA-N 400.457 -0.125 50 20 HBGD COC(=O)CNC(=O)NNS(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 780401813 LNTRQWYTJJUJQE-UHFFFAOYSA-N 419.359 -0.354 50 20 HBGD NC(=O)[C@@H]1CC(C(=O)NNc2ccccc2S(N)(=O)=O)=NN1c1ccccc1 788232790 YOFBINXSLMXSCD-AWEZNQCLSA-N 402.436 -0.103 50 20 HBGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)c1cc(S(N)(=O)=O)cn1C 795181082 IEYFLQZSRJZNKK-UHFFFAOYSA-N 401.470 -0.320 50 20 HBGD CNS(=O)(=O)N1CCC(C(=O)OCC(=O)NNC(=O)c2ccc(C)cc2)CC1 803937561 PXCIBDGPDSVPTA-UHFFFAOYSA-N 412.468 -0.525 50 20 HBGD COc1cc(Cl)c(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1C 808935031 GHJDFKNIJLHSCR-QMMMGPOBSA-N 406.848 -0.319 50 20 HBGD Cn1nc(SCC(=O)NN=Cc2ccccc2N2CCOCC2)c(=O)n(C)c1=O 912808733 UOZWNTHTAMWSOG-UHFFFAOYSA-N 418.479 -0.442 50 20 HBGD O=C(NNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)c1ccc(Cl)nc1 917252596 PGGOLJOHZAAWSS-MNOVXSKESA-N 400.844 -0.468 50 20 HBGD COc1ccc(C(=O)NCCCC(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 919885977 OOBPTPFAGRBFJM-ZDUSSCGKSA-N 412.468 -0.277 50 20 HBGD COCCN1C(=O)/C(=C/NNC(=O)Cn2c(C)nc3ccccc32)C(=O)NC1=S 920978483 FBZNWNJSWDNCBT-FMIVXFBMSA-N 416.463 -0.261 50 20 HBGD COc1ccc(CC(=O)N2CC[C@@H](B(O)O)C2)cc1S(=O)(=O)N1CCOCC1 1118916488 PCOUOPDJKCPUAO-CQSZACIVSA-N 412.273 -0.666 50 20 HBGD CCOC(=O)N[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)Br)CCO2)C1 1778790810 YTSMUYIRZAPJOX-FIXISWKDSA-N 422.276 -0.336 50 20 HBGD C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784085397 ISAISFQMAXOOBM-HTOAHKCRSA-N 410.920 -0.754 50 20 HBGD N#Cc1c[nH]c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)c1 1786980948 GPPPNBVSAHTCOQ-IEZWGBDMSA-N 422.250 -0.527 50 20 HBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(F)(F)Cl)C2 1797753924 CKQJZRDZHDJGDO-BZBKMWRSSA-N 417.800 -0.280 50 20 HBGD CN1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](F)Br)CC1 1799349815 LLDGDFMSDFUQHN-NEBZKDRISA-N 421.311 -0.486 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)C(=O)N(C)C)n[nH]1 1817176068 QTWRNAFKVOKPIJ-ZDUSSCGKSA-N 407.475 -0.137 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)COCCO)sc2C1 1822994852 SRSWRZFOXNMBEK-LLVKDONJSA-N 413.500 -0.563 50 20 HBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)Cn1cnnn1)CC2 1826085223 KNULWUOQCCHKRS-JTQLQIEISA-N 421.487 -0.885 50 20 HBGD CC(C)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 1830359044 KEHDXRUQDRPXMX-FZKQIMNGSA-N 401.891 -0.014 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1844264561 HXVZRKHICKTTLQ-UHFFFAOYSA-N 414.382 -0.553 50 20 HBGD CC(=O)N[C@H](C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(B(O)O)cc1)C(C)(C)C 1847707728 XFGZKKYQTGSTRB-OKZBNKHCSA-N 415.299 -0.267 50 20 HBGD CC(C)CNC(=O)N1CCC[C@H](CC(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)C1 741214611 YRFQLFRIQVWANL-KGLIPLIRSA-N 417.532 -0.028 50 20 HBGD Cc1ncsc1C(=O)NNC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 746222747 COODFZUARQDLTH-JTQLQIEISA-N 423.476 -0.087 50 20 HBGD CN(C)S(=O)(=O)c1cc(C(=O)NNC(=O)CNC(=O)c2ccco2)ccc1F 751203929 UAVGIWGBRHANMA-UHFFFAOYSA-N 412.399 -0.140 50 20 HBGD CC(C)[C@@H](C(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1)N1CCCS1(=O)=O 757715749 QQLAFJNGTUOGDY-FMKPAKJESA-N 404.533 -0.307 50 20 HBGD C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)Cc1ccccc1F 763043074 BZJHUIYXTCOTHN-LLVKDONJSA-N 422.438 -0.019 50 20 HBGD CN1CCN(c2ccccc2NC(=O)C(=O)NN[C@]2(C)CCS(=O)(=O)C2)CC1 783426409 MEGCDABCTPAAJR-GOSISDBHSA-N 409.512 -0.425 50 20 HBGD Cc1ccc(C)c(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1[N+](=O)[O-] 790391885 OMDKOMPWIBSGKY-SNVBAGLBSA-N 406.442 -0.109 50 20 HBGD COc1ccc(OC)c(C2=NO[C@H](C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)C2)c1 792641002 GVYKXFITDHRBOD-OTYXRUKQSA-N 414.440 -0.718 50 20 HBGD C[C@H]1CN(CCC(=O)NNC(=O)CNC(=O)c2ccc3c(c2)OCO3)C[C@H](C)O1 912921355 NNCBRHNBMBPRLZ-STQMWFEESA-N 406.439 -0.208 50 20 HBGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 915077612 YMRIDWBJNGNTSH-KUDNYVPYSA-N 417.443 -0.342 50 20 HBGD O=C(Cn1cnc2ccccc21)NNC(=O)C1CCN(c2ccc3nnnn3n2)CC1 1337223204 QUHWNPCQNCTOBH-UHFFFAOYSA-N 420.437 -0.067 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(=O)ccn3C)C2)C1 1780105681 DYYBARRNXLQAQI-FQEVSTJZSA-N 419.482 -0.798 50 20 HBGD CCC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783933291 GKEJBCFJFQIVNO-LIRRHRJNSA-N 411.503 -0.896 50 20 HBGD Cc1c[nH]cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786982936 IFSUQEAWTGINSB-SNRMKQJTSA-N 411.267 -0.090 50 20 HBGD C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791287950 GTMZFCDBUGUGGK-QAETUUGQSA-N 410.515 -0.070 50 20 HBGD COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792982874 ULWTXTUUEVHTSS-PRFSMCDRSA-N 414.886 -0.069 50 20 HBGD O=C(CCBr)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CNC1=O 1794010847 RWZSHOIFCNFYJG-JGPRNRPPSA-N 401.261 -0.039 50 20 HBGD Cc1cncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c1 1794808052 ADYRPDKPARSYBK-IZZQQSIFSA-N 409.251 -0.413 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@H](O)CN1 1799920575 YBAQKVVIHIBPDP-ZXSGXDMDSA-N 416.482 -0.519 50 20 HBGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H](NC)C(=O)O)C2 1800638893 CMDGBSWPROBADU-XJGUIPMBSA-N 420.304 -0.188 50 20 HBGD CC[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)CCC(N)=O)C2 1800640103 VBFPVWSODIUMFY-ZUDIRPEPSA-N 419.320 -0.658 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](N)c1ccccn1)C2 1801013414 UHMMIMMICIMYEO-GTYSZEQSSA-N 418.498 -0.956 50 20 HBGD CC(C)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)CC[C@@H](N)C(N)=O)C2)C1 1830359363 OHYSEGRXGSTPKX-ACJLOTCBSA-N 418.922 -0.699 50 20 HBGD C[C@H](CC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1833517273 GSHZEYOECVBEDT-IUODEOHRSA-N 402.923 -0.331 50 20 HBGD O=C(COCCO)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1839194444 KKHHTRXZKHGENR-JSGCOSHPSA-N 413.240 -0.858 50 20 HBGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)N(C)C)C2)C1 1839963231 FBMYUQHPJIQUMM-MLGOLLRUSA-N 420.304 -0.296 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc[nH]n3)C2)C1 1840155519 DVBJTTCBQYFSCF-WMLDXEAASA-N 400.863 -0.338 50 20 HBGD Cc1nc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)co1 1840183628 QDQHYUSSOOKRNH-IBGZPJMESA-N 423.470 -0.574 50 20 HBGD O=C([C@H](O)CCl)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC[C@H](O)CC1)CCO2 1840269122 ONBILFQQUYAKRP-ADAWSYLGSA-N 404.891 -0.406 50 20 HBGD Cc1ccc(S(=O)(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c(C)c1OCC(=O)O 726156368 UJDFQBMPPRMOCG-NSHDSACASA-N 420.465 -0.489 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCOC[C@@H]2CCOC2)c1 731763037 QUOHAIYQRQRMIK-CYBMUJFWSA-N 414.484 -0.066 50 20 HBGD Cn1nnnc1-c1cccc(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)c1 742029935 MAOHZPFYWDMEHY-UHFFFAOYSA-N 421.464 -0.322 50 20 HBGD O=C(NNC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)C(=O)N1CCCC1 748247539 RCIIJAPDMHRFFK-AWEZNQCLSA-N 424.479 -0.473 50 20 HBGD Cc1cc(N2C[C@@H](C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)CC2=O)ccc1F 758043327 GVLKPWSOZMQQEJ-QWRGUYRKSA-N 400.432 -0.428 50 20 HBGD NS(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)COc2ccccc2F)c1 763680496 JJNVAVABLWQCTM-UHFFFAOYSA-N 410.383 -0.362 50 20 HBGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)n1 763885958 PCACGIFHMHTNPY-UHFFFAOYSA-N 400.395 -0.359 50 20 HBGD CN(C)CC(=O)NNC(=O)C(=O)N1C[C@H](CC(=O)N(C)C)c2cc(Cl)ccc21 764203931 MMHOYFSZKZJGMS-NSHDSACASA-N 409.874 -0.043 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1nc(-c2ccccc2)cs1 764227852 SAUZKYVMXBTDFA-VIFPVBQESA-N 411.465 -0.166 50 20 HBGD CCSCc1cccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 764231075 MFUYRWCZLGPGEF-SNVBAGLBSA-N 402.498 -0.037 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(-c2ccccc2)ns1 764234608 YWMYIVBWAGKQEC-SECBINFHSA-N 411.465 -0.166 50 20 HBGD Cc1cccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1Br 769266594 NPHQGIWSFLTQSN-MRVPVSSYSA-N 421.273 -0.219 50 20 HBGD CCOC(=O)c1cc(F)cc(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 778561429 BGKLTOFNFNOWCE-MRVPVSSYSA-N 411.433 -0.750 50 20 HBGD CNS(=O)(=O)c1ccc(NC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)nc1 792400247 MXHMJNPUTLTELW-ZDUSSCGKSA-N 407.408 -0.018 50 20 HBGD CN(C)N(C(=O)CNS(=O)(=O)c1c[nH]c2ncccc12)[C@@H]1CCS(=O)(=O)C1 792847850 BEJVGVPRJSRKQJ-LLVKDONJSA-N 415.497 -0.667 50 20 HBGD Cc1cc(C(=O)O)cc(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1C 919960892 IULBLPNDPIADHU-NSHDSACASA-N 405.454 -0.319 50 20 HBGD CC[S@](=O)CCC(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1778825663 KNYBMLSEUGNOEV-JMQGSBJISA-N 416.544 -0.652 50 20 HBGD C[Si](C)(C)OCC(=O)N1CC[C@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCO2)C1 1779296583 XHEDCEITDSQTEQ-CXAGYDPISA-N 400.552 -0.739 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(CCN(C(=O)c3nccnc3C(N)=O)C2)C1 1779878623 ZLPNVMUBBCHMSX-SFHVURJKSA-N 421.530 -0.130 50 20 HBGD CC[C@@H](C)[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1784558449 YGCGBBKJCWHJOF-CUGJGTHOSA-N 412.531 -0.254 50 20 HBGD CCn1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)n1 1791288846 XVRQUISSOSZMNC-ZOBUZTSGSA-N 420.514 -0.131 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CC3(F)F)C[C@@H]21 1791290924 FFDXFAQRTJUFNQ-FQUUOJAGSA-N 402.442 -0.006 50 20 HBGD COC(=O)[C@@H]1CC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)C1 1792975003 HQHJVKHIAKITCG-PLJUSGQGSA-N 402.875 -0.235 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn3c(O)nnc13)C2)[C@@H](O)CCl 1792978528 YOVXMKXOMWBKEW-LFSVMHDDSA-N 409.830 -0.762 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CS(=O)(=O)N1CCCC1)[C@H](O)CCl 1796887655 FJMCEUTWGLIYNC-XJFOESAGSA-N 407.920 -0.350 50 20 HBGD Cc1[nH]ccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797750564 IPNWKNULPVHACJ-FVCICTRLSA-N 412.450 -0.161 50 20 HBGD CCC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)N1CCOCC1 1797802794 NUMGBIOVTQGCHU-VTWRMFPLSA-N 403.907 -0.366 50 20 HBGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCNC(=O)C1)C2 1800762998 MHTLTHFHEYHOEQ-MPLKPFFPSA-N 402.289 -0.114 50 20 HBGD CN(C)CC(=O)N1CC[C@@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807362999 LLKPEOSBXPWFRN-FXAWDEMLSA-N 410.283 -0.357 50 20 HBGD CN(C)NC(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1822416984 UQENIFLFDOYKBZ-ZDUSSCGKSA-N 404.427 -0.137 50 20 HBGD CC(C)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)C1 1835114448 HGLMKSDYNLCAGS-SCLBCKFNSA-N 401.891 -0.014 50 20 HBGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)C1 1835128489 WOVNCTMTTNCWQR-WQGACYEGSA-N 418.288 -0.495 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCC3)C2)C1 1837456087 CAHOUQCXCHGALI-FQEVSTJZSA-N 417.466 -0.445 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC=O)C2)C1 1840034452 LYPLQFZQZLMNJE-SLEUVZQESA-N 406.277 -0.639 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSC(=N)N)C2)C1 1840151612 ILMGWUOKPMRSHT-XHDPSFHLSA-N 408.908 -0.677 50 20 HBGD CCOc1cnc(C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)cn1 1843013666 WSUQGFHRMLLHJP-UHFFFAOYSA-N 410.239 -0.314 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2cnc3ncccn23)C1 1843762320 XINJBVZBYLQIRJ-UHFFFAOYSA-N 405.223 -0.460 50 20 HBGD CCOc1ccc(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)nn1 1844832645 QIIIHIULTZRAOS-UHFFFAOYSA-N 410.239 -0.314 50 20 HBGD CCNS(=O)(=O)c1ccc(C)c(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 10214444 CHLMBIBYKKHTOM-NSHDSACASA-N 403.482 -0.511 50 20 HBGD Cn1cc(S(=O)(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1C(=O)O 728854019 JUOBIOOQPWBHSD-UHFFFAOYSA-N 408.440 -0.261 50 20 HBGD C[C@@H]1CN(CCC(=O)NNC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)C[C@@H](C)O1 732261899 OYTSJGZIPZASEL-CKEIUWERSA-N 416.482 -0.247 50 20 HBGD O=C1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)Cc3ccncc3)c2)CCN1 747323752 OKXCXKFWONMDDL-UHFFFAOYSA-N 417.447 -0.794 50 20 HBGD CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)C(=O)Nc2cccc(C(N)=O)n2)cc1 763873728 YDQPMYVFCCUDHW-NSHDSACASA-N 413.390 -0.064 50 20 HBGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1cc(C(=O)OC)c(F)cc1F 764397660 BCRRUPVKFZUCCJ-MRVPVSSYSA-N 403.338 -0.111 50 20 HBGD CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)C2=O 768925317 LWWUCHRZFHMYLM-PIGZYNQJSA-N 414.484 -0.541 50 20 HBGD CCn1nc(C(=O)NNC(=O)NCCNC(=O)c2cc[nH]n2)c2ccccc2c1=O 780879087 RDWRHYHRFYTXOB-UHFFFAOYSA-N 412.410 -0.487 50 20 HBGD C[C@@H](C(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1)n1cnc(C#N)n1 798972275 FDYLFTUDNOAODR-LBPRGKRZSA-N 405.440 -0.125 50 20 HBGD CCOC(C)(OCC)C(=O)NNC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 807370218 BFRXIGUAHUTBDK-UHFFFAOYSA-N 418.450 -0.005 50 20 HBGD CS(=O)(=O)c1cccc(C(=O)NNC(=O)NC[C@@H]2COC3(CCOCC3)O2)c1 1337310498 YZDFBXDCCWUSEZ-CYBMUJFWSA-N 413.452 -0.044 50 20 HBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(Cl)Cl)C2)[C@@H](O)N1CCOCC1 1779416897 CVCLOXNDJFXKOR-CSMYWGQOSA-N 424.325 -0.045 50 20 HBGD O=C(Cn1ccncc1=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1782665348 CABQNOCNKDAPST-HIFRSBDPSA-N 417.235 -0.236 50 20 HBGD COC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3C)C[C@@H]21 1791253400 BMDZKEBBXZBFCV-YTFOTSKYSA-N 401.891 -0.159 50 20 HBGD Cc1nn(C)cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1793544040 PTEQVIVOARYTHA-ZSBFGKGUSA-N 406.487 -0.695 50 20 HBGD C[C@](O)(C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2)C(F)(F)F 1793930622 STTYOYAKVCGEKA-LOUJCGABSA-N 414.189 -0.069 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@@H](N)C(N)=O 1795635687 HLPQOKKRJFLXEY-GACTXADBSA-N 409.314 -0.595 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CS(=O)(=O)N1CCCC1)[C@@H](O)CCl 1796887654 FJMCEUTWGLIYNC-CRWXNKLISA-N 407.920 -0.350 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1C[C@H](O)CN1)C2 1796892772 QGQNTQQERVFVIK-ZXSGXDMDSA-N 416.482 -0.519 50 20 HBGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)N(C)C)CCO2)C1 1830047541 YXIQHMIWELKVJL-SUMWQHHRSA-N 404.895 -0.269 50 20 HBGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)C3CC(O)C3)CCO2)C1 1830588545 ZHWJMCCQFWAVRI-PIISCBOPSA-N 405.289 -0.003 50 20 HBGD CC(C)CNC(=O)C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1 1835126648 ATSDSIKVVIXDQR-MRXNPFEDSA-N 416.950 -0.070 50 20 HBGD Nc1n[nH]c(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Cl)C3)C2)n1 1837272340 SLRIUYRRLFAYGH-SWLSCSKDSA-N 404.830 -0.690 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3nccn3)C2)C1 1840034702 USUZKFCBLUESHU-WFASDCNBSA-N 416.276 -0.482 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C(=O)OC)CC3)C2)C1 1840156728 YHSCDIZHMPQYAT-GUYCJALGSA-N 418.874 -0.350 50 20 HBGD C[C@@H](CBr)C(=O)N1CCCC12CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1841285881 VEFUZRGLEWYKIL-UWVGGRQHSA-N 401.261 -0.181 50 20 HBGD COc1ccc(Br)c(C(=O)NNC(=O)Cn2ccc(=O)n(C)c2=O)c1 728528578 GXRKEGQPPMBUJF-UHFFFAOYSA-N 411.212 -0.221 50 20 HBGD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)Cc1cccnc1 728852582 HFUIEYCNKCPNEB-UHFFFAOYSA-N 407.452 -0.555 50 20 HBGD COCCCNC(=O)[C@@H](C)N1CCN(C(=O)NNC(=O)Cc2cccnc2)CC1 728957677 HESQHQMMIJPGBB-OAHLLOKOSA-N 406.487 -0.476 50 20 HBGD Cc1cc(C)nc(-n2nc(C)c(CC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c2C)n1 729276400 DTUDTABWTBBAIX-GFCCVEGCSA-N 423.499 -0.476 50 20 HBGD O=C(NNC(=O)c1ccc(-n2cnnn2)cc1)N[C@H]1CCN(CC(F)(F)F)C1=O 732573476 RWUVJALHGGWCBM-NSHDSACASA-N 412.332 -0.231 50 20 HBGD N#Cc1ccccc1OCC(=O)NNC(=O)NCCCN1CCC[C@@H](C(N)=O)C1 745831713 XUJHWTDHDWJZTA-OAHLLOKOSA-N 402.455 -0.145 50 20 HBGD O=C(NNC(=O)c1ccccc1S(=O)(=O)N1CCOCC1)C(=O)N1CCCC1 748240253 DDZYCBXIYOJKPG-UHFFFAOYSA-N 410.452 -0.909 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(Cl)c1N(C)C 764227356 NQHJZJYDTWSHEN-MRVPVSSYSA-N 405.864 -0.570 50 20 HBGD COc1c(NC(=O)C(=O)NNC(=O)COc2ccccc2O)cccc1C(N)=O 764277212 JDLGFJSCLAGKLE-UHFFFAOYSA-N 402.363 -0.335 50 20 HBGD O=C(CC(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)NCC(F)(F)F 764580107 UJDHCPLFDKBZRA-NSHDSACASA-N 419.312 -0.414 50 20 HBGD C[C@H](C#N)Oc1ccc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 764818237 SUUNYWOMQJBSAI-GFCCVEGCSA-N 409.406 -0.125 50 20 HBGD CCc1cccc(OCC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 765730926 PUKOXZRZUOSYSF-UHFFFAOYSA-N 414.422 -0.778 50 20 HBGD Cc1ncc(/C=C\C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)s1 765731995 UAOVVQIVWZSMLX-PLNGDYQASA-N 403.424 -0.941 50 20 HBGD CN(C)N(C(=O)CNC(=O)c1c[nH]c2ccccc2c1=O)[C@@H]1CCS(=O)(=O)C1 792850633 PGJCFSMFHBMUFZ-GFCCVEGCSA-N 406.464 -0.250 50 20 HBGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1cn(-c2ccccc2)nn1 814785198 NSKWDJZNZMQJQA-UHFFFAOYSA-N 414.451 -0.308 50 20 HBGD C#CCOc1cc(F)ccc1NC(=O)C(=O)NNC(=O)[C@@H]1CCc2nncn2C1 815692597 VOBOGJNRGOOCFB-LLVKDONJSA-N 400.370 -0.222 50 20 HBGD CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NNc2ncncc2F)s1 817082056 IZORAVZFRSYVMJ-UHFFFAOYSA-N 402.433 -0.265 50 20 HBGD C[C@@H]1CN(c2ccnc(C(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)c2)C[C@@H](C)O1 1116799966 MSSIFERZZBSGIN-UPJWGTAASA-N 411.484 -0.174 50 20 HBGD CCOCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnccc2C(=O)NN)C1 1779371029 HVXJGYKFJNIDIP-OXQOHEQNSA-N 419.482 -0.151 50 20 HBGD CSCC[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1783974011 QULCFIYFYCKLEU-KSSFIOAISA-N 416.544 -0.697 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NN(C)C(=O)CC3)[C@H]2C1 1784981849 XPHIHKWBYREMHK-ABHRYQDASA-N 414.890 -0.172 50 20 HBGD O=C1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCBr)CN1 1795113002 IFMNYNGCNDQDAQ-OHTBPHCPSA-N 402.289 -0.113 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCCO1)C2)c1cccc(B(O)O)c1 1795737848 ZQYYJTLTKUGRMF-MVJTYMMSSA-N 402.256 -0.861 50 20 HBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnsn1)C2 1797749769 QZXHBTZPFYDSMU-WDAIWFPHSA-N 417.451 -0.946 50 20 HBGD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)c[nH]1 1797750505 CYZBFBOARZEHGT-XOIINTDNSA-N 412.450 -0.161 50 20 HBGD O=C(CN1C(=O)CNC1=O)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@H]1c1cccnc1 1804087564 HCSNIYQPINJNRK-ZENOOKHLSA-N 423.857 -0.761 50 20 HBGD CC(=O)NCC(=O)NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1812617482 OFJIQPZWSGYKGA-XLIONFOSSA-N 424.266 -0.783 50 20 HBGD CC(=O)NCC(=O)N1CC[C@H](CNC(=O)CCC(=O)NN(C)C)[C@H]1c1cccnc1 1813074507 SNTQFWUGEBQLOQ-OXQOHEQNSA-N 418.498 -0.404 50 20 HBGD CN(C)CC(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354900 HQCQDWFQXBEKEH-ZDUSSCGKSA-N 402.285 -0.390 50 20 HBGD CNC(=O)CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817474490 SUEXWQJATGWJOR-OAHLLOKOSA-N 413.243 -0.469 50 20 HBGD CNC(=O)CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1824436023 GIFZAKZKMXSRDL-SFHVURJKSA-N 415.299 -0.264 50 20 HBGD CC(C)N1CCC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1 1830738794 SZRQKTGBHVSACE-FRQCXROJSA-N 417.934 -0.085 50 20 HBGD C[C@H](Br)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)CC(N)=O)CCO2 1831615993 OQYXIFRBCITXHH-BFQNTYOBSA-N 420.304 -0.262 50 20 HBGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)c3cnc(O)[nH]3)C2)C1 1834823099 JEQZBIFCAQUBDB-HNNXBMFYSA-N 417.260 -0.030 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CC(O)C3)C2)C1 1840030213 DUAOHIOORMLYJF-ITDKRANNSA-N 405.289 -0.003 50 20 HBGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1 1840032620 DUAOHIOORMLYJF-FOCJUVANSA-N 405.289 -0.003 50 20 HBGD O=C(CN1C(=O)C=CC1=O)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840190568 BCSOOCSSBJVQTI-INIZCTEOSA-N 420.249 -0.829 50 20 HBGD CC(=O)N[C@H](C)C(=O)N1CC2(CCCN2C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C1 1843416795 BGOXXNWDXLQRNK-IHYLXSPPSA-N 402.455 -0.152 50 20 HBGD C[C@@H](Cn1cncn1)C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1844348078 UEZXSOMDNRWARF-ZDUSSCGKSA-N 412.454 -0.570 50 20 HBGD O=C(COc1ccc(F)cc1)NNC(=O)NCCS(=O)(=O)N1CCOCC1 52303061 PGTJIULUWCCQPG-UHFFFAOYSA-N 404.420 -0.803 50 20 HBGD CN(CC(=O)NNC(=O)N1CCOCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 737818775 KDCSUHNXNPYQDS-UHFFFAOYSA-N 401.401 -0.712 50 20 HBGD CN1CC(=O)N(CCCC(=O)OCC(=O)NNC(=O)c2ccc(C#N)cc2)C1=O 744583905 NPKYRNWSYNPRRS-UHFFFAOYSA-N 401.379 -0.463 50 20 HBGD CN(CC(=O)NNC(=O)Cc1cn2ccccc2n1)S(=O)(=O)c1cccnc1 746553967 SYDDZFZRPIGVRB-UHFFFAOYSA-N 402.436 -0.260 50 20 HBGD Cn1c(=O)nc(O)c2nc(CCC(=O)NNC(=O)COc3ccccc3F)[nH]c21 749160042 BXCKYFGNZLNQRQ-UHFFFAOYSA-N 404.358 -0.340 50 20 HBGD CCNC(=O)COc1ccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1 755645007 CNAQBHCEHQJNJU-JTQLQIEISA-N 401.445 -0.708 50 20 HBGD CCOC(=O)N1CCN(S(=O)(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1 755954316 PGEQPIZAHYGTRQ-UHFFFAOYSA-N 401.401 -0.152 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 758045419 OMKRVIHEVBNJEH-PWSUYJOCSA-N 416.887 -0.226 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1OC(F)F 764227679 PWGQFHGWOCAJQT-MRVPVSSYSA-N 408.383 -0.380 50 20 HBGD N#Cc1ncn(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)n1 769038545 UPNXVGGSMTUEMG-UHFFFAOYSA-N 403.424 -0.605 50 20 HBGD O=C(NNC(=O)c1ccncc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 776062121 QMYLSLBAUXMYLD-UHFFFAOYSA-N 406.424 -0.036 50 20 HBGD CNC(=O)COc1ccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c(C)c1 797680335 HTLVXPMYLQIMNI-JTQLQIEISA-N 401.445 -0.790 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)CNC(=O)OC(C)(C)C)cc1 801108319 GMBJDTCUUZCKHM-UHFFFAOYSA-N 407.427 -0.278 50 20 HBGD C[C@H]1CN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)C[C@H](C)S1(=O)=O 811850746 DITFKLOLWHQFGL-QWRGUYRKSA-N 417.513 -0.159 50 20 HBGD CN(CC(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 812728535 OWNPTXVMBQIUHW-ZDUSSCGKSA-N 404.514 -0.501 50 20 HBGD CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NNC(=O)Cn2ncn3nccc3c2=O)C1 1347691935 WCOSVEBQHYPJKY-LBPRGKRZSA-N 419.442 -0.315 50 20 HBGD C[C@]1(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)CCCN1 1779032818 WPIFUTJWCUQZCT-UXHICEINSA-N 416.482 -0.729 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(O)nc3)C2)C1 1780259035 VIOSRHNVBKWPQN-IBGZPJMESA-N 405.455 -0.396 50 20 HBGD O=C(CN1CCOC1=O)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781324592 AIBLNIMXXOPBJU-SMDDNHRTSA-N 408.224 -0.041 50 20 HBGD CC[C@H](NC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](Cl)COC)C[C@@H]21 1787409493 AXCZZNGTOCLSJV-PEDHHIEDSA-N 404.895 -0.333 50 20 HBGD C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795737659 HDZPWYJZZWNIKA-NYCLONFESA-N 402.256 -0.839 50 20 HBGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)N1CCOCC1 1797807894 FNGCAWHDMAWNFB-CQUYNDQOSA-N 420.304 -0.990 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CCC(=O)N1)C2 1798439354 WUXVDNMWCGFKRH-OXIQGZBJSA-N 400.439 -0.785 50 20 HBGD COCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1830485080 FDOUCOIACZUJPI-IBGZPJMESA-N 414.503 -0.758 50 20 HBGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)N(C)C)C2)C1 1830538154 XGDALFSXKCKJLZ-BLLLJJGKSA-N 420.304 -0.438 50 20 HBGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1836214340 ONLZHISSGLRHBJ-DOMZBBRYSA-N 416.276 -0.482 50 20 HBGD N=C(N)NCC(=O)N1CCC(N2CCC(NC(=O)[C@H](F)Br)CC2)CC1 1836412855 YVSLIUGNYIRSSK-ZDUSSCGKSA-N 421.315 -0.268 50 20 HBGD O=C([C@H](O)CCl)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@@H]3C=CS[C@@H]13)CCO2 1839694701 RIOTWYOOVQASQK-JQIDMEAISA-N 402.900 -0.082 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C(\C)NC(C)=O)C2)C1 1840155234 TXSHVBVLVYZDBA-XSVVSZSESA-N 417.890 -0.264 50 20 HBGD O=C(c1ccc2nn[nH]c2c1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014932 RGUFPKUKPOOPMX-UHFFFAOYSA-N 405.223 -0.232 50 20 HBGD C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)NNC(=O)CNC(=O)c2ccco2)CC1 728952416 XKMAYKWITQMWRT-LBPRGKRZSA-N 406.443 -0.965 50 20 HBGD C[C@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)NNC(=O)c1csc(N2CCOCC2)n1 736371130 SEJTVPJRYQHIOO-WDEREUQCSA-N 417.513 -0.159 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cnc3c(c2)nnn3C)cc1 754844454 CNTHKDDDNOJWPI-UHFFFAOYSA-N 417.451 -0.247 50 20 HBGD CC(C)OCc1cccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 764226962 LKCLRMYPVJZTHA-LLVKDONJSA-N 400.457 -0.365 50 20 HBGD Cc1cn(C2CCCCC2)nc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 764228185 VFWKIBVAPLUJCV-NSHDSACASA-N 414.488 -0.280 50 20 HBGD Cc1ccc(-n2cc(C)cn2)c(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 764230463 IVFJSYCVNBGCOI-GFCCVEGCSA-N 422.467 -0.487 50 20 HBGD C[C@H](C(=O)NNC(=O)CNC(=O)OC(C)(C)C)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 778442252 UVGLZOHOXLQXGH-AIPRNEOBSA-N 410.427 -0.791 50 20 HBGD COC(=O)c1cc(OC)ccc1NC(=O)C(=O)NNC(=O)CNC(=O)c1ccco1 784004011 GPRCMJAODPTTBA-UHFFFAOYSA-N 418.362 -0.409 50 20 HBGD CC(C)(C)OC(=O)N1[C@H](C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)C[C@H]2C[C@H]21 814620220 ILPUOPMOFFDTGK-KXNHARMFSA-N 402.473 -0.098 50 20 HBGD Cn1c(=O)c2cc(C(=O)NNC(=O)[C@H]3COc4ccccc4O3)cnc2n(C)c1=O 861741816 ZRUVQPAOLMNZJT-CQSZACIVSA-N 411.374 -0.767 50 20 HBGD Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 915686019 HIEPNFPHIFUHHN-OCCSQVGLSA-N 410.431 -0.513 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCNC(=O)c2ccco2)c1 916260028 XPPOUUPEHAQHLF-UHFFFAOYSA-N 423.451 -0.096 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCO[C@@]2(CCN(C(=O)C3CC(=O)C3)C2)C1 1785403769 YTESSLXETBAIQT-CCULFSDZSA-N 415.450 -0.071 50 20 HBGD COC(=O)C1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]32)CC1 1790888951 CKGNTURNALYMRG-KKUMJFAQSA-N 424.498 -0.708 50 20 HBGD CC[C@H](NC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](Cl)COC)[C@H]2C1 1791253921 FQIFCOZWVJARFQ-PEDHHIEDSA-N 404.895 -0.333 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CC(F)(F)C1)C2)c1ccc(B(O)O)cc1 1795732619 CPFVAAIAZOPFGT-MIFYACCESA-N 408.210 -0.385 50 20 HBGD CC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1799268890 GDXQUYMIGZZFQB-JLUCKKNBSA-N 409.874 -0.094 50 20 HBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)[C@@H]1C=CCN1 1817983011 TZMWMASBSGHJNU-DOTOQJQBSA-N 409.255 -0.077 50 20 HBGD COCCOCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1835248764 XPVIGJYBGVQTJK-CJNGLKHVSA-N 423.304 -0.111 50 20 HBGD CC[C@H](C)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1835927650 WCDPTGYQICIKOD-KKSFZXQISA-N 418.299 -0.127 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)C(F)F)C2)C1 1837457015 SCDWKUQKDMYUJF-QGZVFWFLSA-N 413.381 -0.980 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c[nH]c(=O)cn1)CCO2 1838638671 MXMYABNFRCOMOJ-GOSISDBHSA-N 424.530 -0.309 50 20 HBGD CCNC(=S)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](Cl)CC)CCO2 1839148412 XSYJNGARABPBGY-DYVFJYSZSA-N 420.963 -0.056 50 20 HBGD CNC(=O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Br)CCO2 1840030453 MUQCVJXQLCVXDB-ABAIWWIYSA-N 406.277 -0.638 50 20 HBGD CCO/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1840311450 SYIGFIHGQPRGLM-VQFGERMISA-N 412.487 -0.634 50 20 HBGD Cc1nnc(CCC(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)s1 1842054529 RYYABMCFNUAEOA-UHFFFAOYSA-N 414.296 -0.024 50 20 HBGD COc1ccc(S(=O)(=O)NNC(=O)NCC2CC2)cc1[C@]1(C)NC(=O)NC1=O 64940261 RLYVPXVVKPSNNC-INIZCTEOSA-N 411.440 -0.348 50 20 HBGD COCCO[C@@H](C)C(=O)NNC(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1 748632379 PEXAOZHZQQYEBL-LBPRGKRZSA-N 402.473 -0.036 50 20 HBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)Nc1ccc(CN2C(=O)CCC2=O)cc1 755662374 JQIPTJPAUVFLGH-GFCCVEGCSA-N 408.436 -0.077 50 20 HBGD COc1ccccc1SCC(=O)NNC(=O)CNS(=O)(=O)c1cnn(C)c1 762351298 UJBNAIGZBWBTBE-UHFFFAOYSA-N 413.481 -0.353 50 20 HBGD C=CCN1C(=O)C(=O)N(CC(=O)NNC(=O)CSc2ccccc2OC)C1=O 762371494 YIKLPXJVBRPKNT-UHFFFAOYSA-N 406.420 -0.089 50 20 HBGD O=C(CNC(=O)c1cccnc1)NNC(=O)CN1C(=O)NC2(CCCCC2)C1=O 763821004 QWDZXIZIKOXXHO-UHFFFAOYSA-N 402.411 -0.787 50 20 HBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)[C@@H]2CCn3cncc3C2)CC1 764282379 OOSGHFHGCJSHNF-CQSZACIVSA-N 419.511 -0.080 50 20 HBGD CC(C)[C@@H](C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)N1CCCCC1 766636261 MEFRDOWBMAFLRA-AWEZNQCLSA-N 419.486 -0.908 50 20 HBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)c1nccn2ccnc12 766639979 BGHGXMRIOGANHK-UHFFFAOYSA-N 407.434 -0.052 50 20 HBGD CC(C)n1ncc2cc(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)ccc21 768498596 ACXFEHOMEHLJPQ-JTQLQIEISA-N 403.486 -0.136 50 20 HBGD O=C([C@H]1CCCCS1(=O)=O)N1CCN(S(=O)(=O)CBr)CC1 773615895 ZCHONOOWAFWFDX-SNVBAGLBSA-N 403.320 -0.220 50 20 HBGD CCNC(=O)NNS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 790392378 UIVYIHXOINMQAD-UHFFFAOYSA-N 406.486 -0.472 50 20 HBGD C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 792854373 JPPYDUKWIVZGNW-TZMCWYRMSA-N 414.509 -0.283 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)[C@@H]3CCC(=O)N3)CC2)cc1 913156797 YXVSUFAIWLAJIV-HNNXBMFYSA-N 408.480 -0.178 50 20 HBGD O=C(COC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)NNC(=O)c1ccccc1 914651019 AYNLKEXAOFRDGE-UONOGXRCSA-N 423.447 -0.974 50 20 HBGD CCCNC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 921042383 QUSGSRYXDYBEJY-UHFFFAOYSA-N 411.484 -0.107 50 20 HBGD O=C(NC[C@@H]1CCCS1(=O)=O)NNC(=O)c1csc(N2CCOCC2)n1 1117786372 QYGKNHZSSOKTDC-JTQLQIEISA-N 403.486 -0.499 50 20 HBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccncn1 1778156842 QKAIOHLQYCZXLB-WIYYLYMNSA-N 424.266 -0.402 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ncccn1)C2 1782210896 XOVCDCPBHCFATM-FOIQADDNSA-N 418.498 -0.023 50 20 HBGD CCc1[nH]nc(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1F 1783936885 WSQQFCXPRVCZFJ-IBGZPJMESA-N 424.477 -0.072 50 20 HBGD C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1788576327 PJWRZWYXAVIKDZ-QAETUUGQSA-N 424.542 -0.088 50 20 HBGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccnn1)C2 1792867743 KKCIHTNRPZVJPA-NRWUCQMLSA-N 400.277 -0.101 50 20 HBGD CC(C)c1nc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)no1 1792975156 KYSWJTHHXJSKGO-NWJSVONSSA-N 400.863 -0.075 50 20 HBGD CCC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1793447158 YTUPDMMHIPYVGV-YALNPMBYSA-N 408.691 -0.023 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2)[C@H](F)Cl 1796369802 FFDUUXMYLJFAPT-VVJJBPBLSA-N 409.892 -0.029 50 20 HBGD C[C@@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)C1 1800522118 QYLHWOYGTGCJFZ-XJGUIPMBSA-N 402.289 -0.257 50 20 HBGD O=C(CCNC(=O)c1ccccc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1801948117 FQYUNCORLSQIMR-KYHPRHEASA-N 423.897 -0.004 50 20 HBGD CC[C@@H](O)C(=O)N[C@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815350605 ZTGVMWUGCWFXHP-GXTWGEPZSA-N 403.269 -0.180 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731837 QMVYBTIHTDIOQV-XJKSGUPXSA-N 408.955 -0.106 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)nn3)CCO2)C1 1833837089 OGRRWWONQPNONW-YVEFUNNKSA-N 414.846 -0.494 50 20 HBGD CNC(=O)CC(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834819501 PRCGVYCAXVZKLN-HNNXBMFYSA-N 406.277 -0.636 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CSC(=N)N)CCO2)C1 1835516731 VQFUIFWPODAQIR-ABAIWWIYSA-N 408.908 -0.677 50 20 HBGD Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c(O)n1 1838667571 KUBRSMHCGHIESH-KSSFIOAISA-N 413.858 -0.235 50 20 HBGD CCS(=O)(=O)CCNC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 727943202 FOKUOXCTWXUPIL-UHFFFAOYSA-N 420.513 -0.619 50 20 HBGD C[C@@H]1COCCN1CCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 729614157 JJKKNWVPQASJFF-CYBMUJFWSA-N 413.500 -0.398 50 20 HBGD CS(=O)(=O)N1CCN(CCNC(=O)NNC(=O)Cc2ccc(F)cc2)CC1 749353377 NUXFQXDAESEUSP-UHFFFAOYSA-N 401.464 -0.724 50 20 HBGD C[C@H]1C[C@@H](C)C[C@]2(C1)NC(=O)N(CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)C2=O 756871635 ULACWOAQFQHEGP-UZTWBRENSA-N 414.484 -0.685 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CNC(=O)c1ccccc1C(F)(F)F 758032042 ZGJWXJGINMJGGM-MRVPVSSYSA-N 410.374 -0.480 50 20 HBGD CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NNC(=O)CNC(=O)c2cccnc2)o1 763814423 OYJXYIPIVVZJEV-UHFFFAOYSA-N 423.451 -0.058 50 20 HBGD CC(C)n1cc2cc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)ccc2n1 764234316 XGXJKAKIOLDKQR-SNVBAGLBSA-N 410.456 -0.359 50 20 HBGD COCC(=O)NNC(=O)C(=O)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)OC)c1 764304242 XBIGUWGIXVMOGN-AWEZNQCLSA-N 420.422 -0.413 50 20 HBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1nccn2c(Br)cnc12 769625141 IODQWSHUVLOILB-SSDOTTSWSA-N 402.230 -0.313 50 20 HBGD COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)[C@H]2CCc3nncn3C2)cc1 816878193 MHLIVYPXUZMPDB-RYUDHWBXSA-N 422.467 -0.637 50 20 HBGD COc1ccnc(NNC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)n1 914762874 VVWMWZAFQYPQRN-UHFFFAOYSA-N 408.440 -0.274 50 20 HBGD COCCS(=O)(=O)CC(=O)NNC(=O)c1sc(N2CCOCC2)nc1C 915636316 HHBXTLQOPFZGPH-UHFFFAOYSA-N 406.486 -0.890 50 20 HBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NC[C@@H]1CCCS1(=O)=O 1261281191 LBISSNATMNKJGG-NSHDSACASA-N 417.513 -0.191 50 20 HBGD Cc1nnc(CC(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)s1 1783933904 LTNIANDYAUBSSP-SFHVURJKSA-N 424.527 -0.408 50 20 HBGD CN(C)c1ncc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]3C2)o1 1784086855 QIVZOIWBIGHRGL-RVMXOQNASA-N 400.863 -0.066 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)[C@H]3CCCSC3)C2)C1 1785472531 GDQQALRQCRCQJA-JXFKEZNVSA-N 418.324 -0.047 50 20 HBGD O=C1CC[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](F)Br)[C@H]3C2)N1 1789922032 AFAHZVJHJOHNFP-JPYZYGQNSA-N 406.252 -0.065 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)[C@H]1C[C@]1(F)Cl 1791366463 BZMFQQMHOGRXFO-XMFUBXPQSA-N 424.665 -0.116 50 20 HBGD CC(C)N(C)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1791791228 SSWVSGMKNHTFHF-ULQDDVLXSA-N 411.547 -0.321 50 20 HBGD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)C1(O)CCC1 1792474289 GXEFPZDZOKVRFP-SCNOPHJPSA-N 416.283 -0.879 50 20 HBGD Cc1nscc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1794517804 OIUCMXQKEUAYLB-XOIINTDNSA-N 415.280 -0.352 50 20 HBGD CN[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@](C)(Cl)CCl)C2)C(=O)O 1795645386 KODFQPIRRCWMKK-NWPKGIRNSA-N 410.298 -0.125 50 20 HBGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1ccccc1=O)C2 1802333442 XHSBCBFWBXIYKQ-MUJYYYPQSA-N 403.483 -0.141 50 20 HBGD O=C(NC[C@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1)[C@@H]1C=CCN1 1808215248 OKRLWFBRZNDYOX-YZGWKJHDSA-N 420.278 -0.391 50 20 HBGD COC[C@H](Cl)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](N)CCC(N)=O)sc2C1 1814810229 LXIISNYVKQNNKS-GUBZILKMSA-N 417.919 -0.098 50 20 HBGD COC[C@H](Cl)C(=O)N[C@@H]1CCc2nc(NC(=O)CC[C@H](N)C(N)=O)sc2C1 1815068039 LLGBPODLCZUMKC-UTLUCORTSA-N 417.919 -0.098 50 20 HBGD C[C@@H](NC=O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1820874337 BFNWHIDHHMFJPQ-MLGOLLRUSA-N 413.243 -0.470 50 20 HBGD O=C(CCCn1ccnc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830738077 LLGWHHBVLJKBEE-QAPCUYQASA-N 414.890 -0.281 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCOC3=O)CCO2)C1 1831020553 WWMJTEFJMLVAGB-DYVFJYSZSA-N 403.863 -0.088 50 20 HBGD N[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1)c1ccccn1 1835695493 LCKOSDQIUQDMOK-RVKKMQEKSA-N 412.874 -0.863 50 20 HBGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1837367153 PXJBHPXIMQNKBQ-ZUZCIYMTSA-N 417.260 -0.898 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(N)=O)C2)C1 1839155144 KKIRSDRPPCNKTQ-JKSUJKDBSA-N 410.298 -0.055 50 20 HBGD C[C@H](NC=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@](C)(Cl)CCl)C2)C1 1839163282 JRCOENZTKLZZLR-RCBQFDQVSA-N 410.298 -0.186 50 20 HBGD CC(C)c1nc(CC(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)no1 1841996466 BNGNMVVXWFGDDH-UHFFFAOYSA-N 412.255 -0.068 50 20 HBGD COc1ccc(C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)nn1 1844264612 PMUGJYCJKHUQQO-UHFFFAOYSA-N 411.422 -0.386 50 20 HBGD C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)C(=O)NC3CC3)c2)C[C@@H](C)O1 9889677 DFKCOXYFKZMMHW-TXEJJXNPSA-N 424.479 -0.476 50 20 HBGD O=C1COc2cc(NC(=O)C(=O)NNC(=O)[C@H]3COc4ccccc4O3)ccc2N1 763571869 PGCNKZZYCWWIBL-OAHLLOKOSA-N 412.358 -0.057 50 20 HBGD CS(=O)(=O)Nc1cccc(CC(=O)NNC(=O)CNC(=O)c2cccnc2)c1 763825417 WROKLGZJLAIBBO-UHFFFAOYSA-N 405.436 -0.427 50 20 HBGD O=C(COc1ccc(F)cc1)NNC(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 763841267 POLTXOFFQKXEDL-UHFFFAOYSA-N 418.385 -0.534 50 20 HBGD Cc1ccnc(-c2ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc2)n1 764231731 PLKRRRLGNLKNBM-LLVKDONJSA-N 420.451 -0.524 50 20 HBGD CC(C)(C)OC(=O)N[C@H]1CCc2ncc(NC(=O)C(=O)NNC(=O)CO)cc2C1 764427761 BNZNHUVSJWHASH-NSHDSACASA-N 407.427 -0.458 50 20 HBGD C[C@]1(NNC(=O)C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)CCS(=O)(=O)C1 783428058 SQXIYNWHXTZCGV-KRWDZBQOSA-N 419.467 -0.189 50 20 HBGD C[C@@H](c1cccc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)c1)N1CCOCC1 784000568 VZNIVBPXPJESDL-AWEZNQCLSA-N 417.466 -0.212 50 20 HBGD COCCN1[C@H]2CC[C@H]1CC(=NNC(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)C2 814877678 UZMKUGIWXUCYAL-KBPBESRZSA-N 417.470 -0.821 50 20 HBGD CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1781400490 QQWDOWNTKLVLGC-KXBFYZLASA-N 411.503 -0.010 50 20 HBGD CCC1(C(=O)N2CC[C@@]3(CN(C(=O)c4cnccc4C(=O)NN)CCO3)C2)COC1 1782948506 DUWLGOAGWKPJOC-HXUWFJFHSA-N 417.466 -0.445 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)[C@H]3CC[C@H](O)CC3)C2)C1 1784133159 UOVSKOHOQIIDSD-FQELHTAISA-N 416.283 -0.639 50 20 HBGD O=C(CC[C@@H]1CCOC1)N1CC[C@@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1784809696 WYFPJEGHMQWBJG-IIBYNOLFSA-N 416.283 -0.373 50 20 HBGD C[C@]1(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)CC1(F)F 1785392945 QOCPZGUSWKAJAP-QZTJIDSGSA-N 408.210 -0.145 50 20 HBGD CC[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C(C)=N/NC(=O)c3ccc[nH]3)[C@H]2C1 1787506834 PVSBESAQQSEYRN-YBDXHYROSA-N 419.482 -0.129 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCBr 1795116974 HZLYOLKNFUFZOJ-DRXBFXEBSA-N 419.320 -0.266 50 20 HBGD CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795737721 MGCPTTXAXATGPW-YALNPMBYSA-N 406.313 -0.476 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(O)cc1)C2)c1cccc(B(O)O)c1 1795739963 WOELXUTYOZOJJI-HGKCTWBKSA-N 410.235 -0.411 50 20 HBGD Cc1cc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(B(O)O)cc2)nn1C 1796187838 HDXVSCSBWSNFGJ-GGPHIMKMSA-N 410.283 -0.097 50 20 HBGD COCc1oncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1796690199 VYXAOWCYQXMVDD-IVWMJMPLSA-N 423.470 -0.603 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Cl)C2)c1cc2n(n1)CCCNC2=O 1797323143 KCPLSTXQUQKUQV-DJBIQUGXSA-N 413.837 -0.246 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)N1CCOCC1)[C@@H](F)Br 1798486909 KJHVLFBTMJGGDH-CYRBOEJBSA-N 408.268 -0.034 50 20 HBGD CC(C)(C)OC(=O)N[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1799679617 GHWFRYANEXVJGF-XJBAAKRRSA-N 421.878 -0.981 50 20 HBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@](C)(O)CC(=O)O 1801007526 DQVDQPLOOXWJLD-FRJNNAICSA-N 406.863 -0.554 50 20 HBGD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)n1cccn1 1801383564 OZAGQWVWHKBCDH-SCNOPHJPSA-N 412.255 -0.973 50 20 HBGD CN(C)CC(=O)NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1806454750 LIQUUSIIJAAQCV-XLIONFOSSA-N 410.283 -0.357 50 20 HBGD O=C(Cn1ccncc1=O)NC[C@@H]1CCN(C(=O)[C@@H](O)CCl)[C@@H]1c1cccnc1 1812340225 YAACDMYIKCJVNJ-RLFYNMQTSA-N 419.869 -0.056 50 20 HBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](O)CCl)[nH]n1)[C@@H](O)N1CCOCC1 1819441564 FPGFJNPABCTDAW-GDZNZVCISA-N 415.878 -0.348 50 20 HBGD CC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](Cl)COC)C2)C1 1830334734 RQRSCMXDZMZKBK-DAYGRLMNSA-N 419.906 -0.389 50 20 HBGD COC(OC)C(=O)N1CCOC[C@]2(CN(C(=O)CCBr)CCO2)C1 1834819512 QCXNFQIRGIVLJK-HNNXBMFYSA-N 409.277 -0.153 50 20 HBGD N[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1)c1ccccn1 1835695494 LCKOSDQIUQDMOK-VKJFTORMSA-N 412.874 -0.863 50 20 HBGD C[C@@H](CN)C(=O)N1CCC(OC2CCN(C(=O)CCC(=O)NN(C)C)CC2)CC1 1837835268 VWUXTSXGQVBQDB-HNNXBMFYSA-N 411.547 -0.047 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)COCCO)C2)C1 1840034650 RYPUPXRPFIYWJL-WFASDCNBSA-N 409.277 -0.765 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)CCSC)CCO2)C1 1840200959 XWKSSTOVXUVSFX-ZQIUZPCESA-N 424.947 -0.189 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)[C@H]2CCC(=O)NC2)C1 1841112028 CHPHUPWINGYMMQ-WQEJZQBCSA-N 414.466 -0.150 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)CCc2ccc(O)nn2)C1 1845754672 PEVQBGJPLNOUOI-UHFFFAOYSA-N 410.239 -0.688 50 20 HBGD Cc1c(Cl)cc(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1[N+](=O)[O-] 728510376 XZDRTUDCNKQYBK-SSDOTTSWSA-N 414.849 -0.196 50 20 HBGD COc1cc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)cc(OC)c1OC 730569417 ZTIJPNNPKHSQAO-UHFFFAOYSA-N 423.451 -0.253 50 20 HBGD COc1ccc(NCC(=O)NNC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 743297534 OFFILMJEOZJXAW-OMNBBPDLSA-N 402.407 -0.583 50 20 HBGD O=C(NNC(=O)C(=O)Nc1ccccn1)N[C@H]1CCCN(CC(F)(F)F)C1=O 746338261 AMGVALKBAXRVHU-VIFPVBQESA-N 402.333 -0.096 50 20 HBGD CCN1CCO[C@H](C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)C1 748621274 ZLWNTHNSCDZCRF-KRWDZBQOSA-N 411.528 -0.214 50 20 HBGD CCOc1ccc(NC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 755335752 HOSCICWAJMXZFJ-UHFFFAOYSA-N 415.410 -0.315 50 20 HBGD C[C@@H]1CN(c2ccc(NC(=O)C(=O)NNC(=O)[C@@H]3COCCO3)cc2)C[C@@H](C)O1 764426695 WBBGRDDFYWIFNU-IOASZLSFSA-N 406.439 -0.199 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)cc1 801106692 YHHNLZFLKICICL-CQSZACIVSA-N 403.420 -0.189 50 20 HBGD COC(=O)c1cn(CC(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c2ccccc12 919886044 SSFOOWOGHWTGEY-NSHDSACASA-N 408.436 -0.055 50 20 HBGD Cc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 919886822 WHWHAPGVNKAHAR-GFCCVEGCSA-N 418.497 -0.819 50 20 HBGD O=C(C[C@H]1COC(=O)C1)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1319226201 CGYKCXWLNKRVOR-GFCCVEGCSA-N 411.436 -0.578 50 20 HBGD CS(=O)(=O)[C@@H]1CCN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)C1 1321190107 PJHVWGNLNGLEPD-SNVBAGLBSA-N 403.486 -0.547 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](COC)NC(C)=O)C2)C1 1779316006 ASDOFLGOOASDAD-ZQIUZPCESA-N 405.879 -0.779 50 20 HBGD CN1CCCC[C@@H]1C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1781027689 NXDYBEHYMJAGDA-NQIIRXRSSA-N 415.299 -0.706 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCCCN3C)C2)C1 1781034271 FBFVZUVDKVWXIN-OXQOHEQNSA-N 409.531 -0.326 50 20 HBGD COC[C@H](Cl)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)C2 1782170475 MTTYUUWORTZHKP-UYAYXHRUSA-N 418.922 -0.653 50 20 HBGD CC[C@@H](NC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](Cl)COC)C[C@@H]21 1787409495 AXCZZNGTOCLSJV-YHQUGGNUSA-N 404.895 -0.333 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccnn3)C[C@@H]21)[C@@H](F)Br 1789922639 NHHVGWAMGZIMNN-MRBYEJRBSA-N 404.240 -0.052 50 20 HBGD CC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NS(=O)(=O)CC 1793313849 OGVDWQULPOLTJM-HPCHECBXSA-N 409.936 -0.079 50 20 HBGD O=C(CN(CCO)CCO)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](O)CCl)CC1 1824185818 LFVGXJBFIRLRAJ-IRXDYDNUSA-N 419.950 -0.508 50 20 HBGD O=C([C@H](O)CCl)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@H]4C=CS[C@@H]43)C2)C1 1830735786 MXWUEKVHUIHKQH-MNLSVMLLSA-N 402.900 -0.082 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)ncn3)C2)C1 1840150444 KWHYWWUJFNQAGU-PXAZEXFGSA-N 414.846 -0.494 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCSC)C2)C1 1840155712 GXQJHGAWTUSSQK-ZQIUZPCESA-N 424.947 -0.189 50 20 HBGD O=C(NCc1cccc(OCCN2CCOCC2)c1)NNC(=O)C(=O)NC1CC1 139708385 ZASRXVHMHXSRLQ-UHFFFAOYSA-N 405.455 -0.493 50 20 HBGD NS(=O)(=O)Cc1cccc(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 726523453 SLRJHEHIURSXPJ-UHFFFAOYSA-N 401.408 -0.474 50 20 HBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)c2n[nH]c3c2CCC3)CC1 735117033 LWBCFGVWIBZOOI-UHFFFAOYSA-N 405.484 -0.014 50 20 HBGD CCOc1ccccc1OCC(=O)NNC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 742472319 ZZILBHMKLAIJLG-KNCCTNLNSA-N 417.418 -0.226 50 20 HBGD COC(=O)/C=C\c1ccc(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 747607693 BSUJVGSKRWWBKL-KMSCOEIWSA-N 417.465 -0.448 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CCc2ccc(F)cc2F)n(C)c1=O 752127467 NWVGNWRBTJAZNS-UHFFFAOYSA-N 420.376 -0.508 50 20 HBGD Cn1c(=O)c2cc(NC(=O)NNC(=O)COc3ccccc3C#N)cnc2n(C)c1=O 755845758 GKUZWOSVKRWGMP-UHFFFAOYSA-N 423.389 -0.264 50 20 HBGD CN(NC(=O)Cn1ccc(O)nc1=O)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 758785861 GBUSELLYSKJPAI-UHFFFAOYSA-N 410.431 -0.415 50 20 HBGD CC1(C)C(=O)N(C[C@](C)(O)C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c2ccccc21 760079349 KVLQYSBTXQXVDX-BUXKBTBVSA-N 423.491 -0.356 50 20 HBGD COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)CC2CC2)cc1 764143457 QUXAPDNVQREZJA-NSHDSACASA-N 412.468 -0.114 50 20 HBGD COC(=O)c1cc(Cl)ccc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764233372 WFAYMEUAVXIZLI-SSDOTTSWSA-N 420.831 -0.850 50 20 HBGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)N1C[C@H](C(=O)OC)Oc2ccccc21 764401353 VTPKOLKVXYITMV-BXUZGUMPSA-N 409.395 -0.848 50 20 HBGD CC(C)NC(=O)C(=O)NNS(=O)(=O)c1cc2nc(O)[nH]c2cc1Br 768496546 LILNDVFGDLSNJK-UHFFFAOYSA-N 420.245 -0.135 50 20 HBGD O=C(NNS(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl)[C@@H]1CCc2nncn2C1 793449051 YEMVQHDDOLWWHL-SSDOTTSWSA-N 412.815 -0.062 50 20 HBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCC(=O)NCC(F)(F)F 918234493 BQFWTTCBGZVCJY-UHFFFAOYSA-N 424.405 -0.089 50 20 HBGD O=C(CCCNC(=O)c1ccc(F)cc1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919889104 WLOJNLHPNCHVOQ-CYBMUJFWSA-N 400.432 -0.147 50 20 HBGD O=C1NC(=O)[C@H](CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H](F)Cl)C2)N1 1778022515 OSOGRIGDWRZZTD-JSKSWSIUSA-N 404.826 -0.367 50 20 HBGD CN1CCN(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)CC1 1778261959 MVFCTWOHZVIVGP-HOCLYGCPSA-N 421.311 -0.246 50 20 HBGD C[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)C[C@@H]3NC(=O)NC3=O)CCO2)C1 1783528753 AAWXEWAWCLGAAA-AMJWSMQMSA-N 417.260 -0.802 50 20 HBGD O=C(c1cc(=O)n2[nH]cnc2n1)N1CCO[C@]2(CCN(C(=O)C(Cl)Cl)C2)C1 1783947544 VGNBQOGRXFOUDT-HNNXBMFYSA-N 415.237 -0.335 50 20 HBGD Cc1cc(CC(=O)N2CC[C@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)no1 1784365986 HHYMADDTDBGVNO-LJQANCHMSA-N 407.471 -0.272 50 20 HBGD Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(B(O)O)cc4)[C@H]3C2)cn1 1786979550 XFBJFCQNIVHTDA-IHPCNDPISA-N 423.278 -0.023 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)C1CC(F)(F)C1 1792602875 WPDCQPQGIRRONT-MIFYACCESA-N 408.210 -0.385 50 20 HBGD CC[C@H](NC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C(C)=N/NC(=O)c1ccc[nH]1 1796440580 SBJFRACGTYPGQE-BCMCZCDPSA-N 418.498 -0.292 50 20 HBGD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)ccn1 1798095804 ZRMLIRDVFFWFHQ-HGKCTWBKSA-N 403.483 -0.034 50 20 HBGD C[C@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCNC1=N)C2 1799275023 LRCCTTGLASMQPB-DZJQYVJYSA-N 406.314 -0.348 50 20 HBGD CCc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)n(C)n1 1801011839 KECNZAPTRYXGSI-HBCWATKFSA-N 420.514 -0.441 50 20 HBGD O=C(Cn1cncn1)N1CCCC2(CCN(C(=O)c3cccc(B(O)O)c3)CC2)C1 1810142674 VCBYDLAZLIYSJI-UHFFFAOYSA-N 411.271 -0.497 50 20 HBGD NC(=O)[C@H](N)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H](O)CCl)CC1 1826933114 WPCFBJSHASORNH-QLFBSQMISA-N 402.923 -0.201 50 20 HBGD O=C(c1ccc2nonc2c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830728080 OPCJXFYYUYOKSQ-QAPCUYQASA-N 424.841 -0.108 50 20 HBGD Cn1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1Cl 1838305903 SWMNGJVGHQWDIT-BLLLJJGKSA-N 421.281 -0.257 50 20 HBGD O=C(c1ccnc2c1OCO2)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011835 YKGDQWPAKJHLNA-UHFFFAOYSA-N 409.207 -0.379 50 20 HBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 15639647 MCLXVVIANKPPHV-RYUDHWBXSA-N 423.447 -0.607 50 20 HBGD O=C(CNC(=O)c1cccs1)NNC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 734685750 GRZSSTQREICXII-CQSZACIVSA-N 424.527 -0.785 50 20 HBGD COc1cc(Cl)ccc1C(=O)NNC(=O)NCCS(=O)(=O)N1CCOCC1 748106217 IWLPRYQVIDFRJW-UHFFFAOYSA-N 420.875 -0.045 50 20 HBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 763996819 FYFTYFSZRUFLFQ-SSDOTTSWSA-N 405.335 -0.471 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccccc1OCC(F)F 764230671 JBXKAICMZVXKIE-QMMMGPOBSA-N 408.383 -0.646 50 20 HBGD COCC(=O)NNC(=O)C(=O)Nc1cc(S(=O)(=O)NC(C)(C)C)ccc1OC 764299275 CELOFZYKOCXINV-UHFFFAOYSA-N 416.456 -0.496 50 20 HBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)CCC(=O)N1CCN(c2ncccn2)CC1 772189733 CAUZSRFVWMIVSE-CYBMUJFWSA-N 406.443 -0.606 50 20 HBGD O=C(NNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1O)N[C@@H]1CCS(=O)(=O)C1 780908175 RETFXJXMXBRQRC-YPMHNXCESA-N 410.452 -0.486 50 20 HBGD O=C(NNC(=O)C(=O)N1CCCC1)C(=O)Nc1cccc(N2CCCCC2=O)c1 784000715 YLAVJEPELGIBQG-UHFFFAOYSA-N 401.423 -0.088 50 20 HBGD CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)NNC(=O)Cc1cn2ccccc2n1 787881770 MYKSTCKMXWLEKK-NWDGAFQWSA-N 404.427 -0.337 50 20 HBGD COCCNS(=O)(=O)c1ccc(C)c(C(=O)NNC(=O)N2CCN(C)CC2)c1 788169492 PMRQEYGJBICKPO-UHFFFAOYSA-N 413.500 -0.478 50 20 HBGD Cc1nc2ccc(C(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc2o1 792238731 WVJBYFDETZDRNI-UHFFFAOYSA-N 411.378 -0.655 50 20 HBGD Cc1ccnc(C)c1NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 806536009 DWRXITMTHLDPKO-UHFFFAOYSA-N 400.399 -0.702 50 20 HBGD Cc1ccc(C)c(OCC(=O)NNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c1 914829662 JYPYEBKBNNXLSZ-CABCVRRESA-N 423.491 -0.135 50 20 HBGD CCNC(=S)NCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2 1781470706 SZEOTZGFJQNZPI-PBFPGSCMSA-N 420.963 -0.416 50 20 HBGD CCC(=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2 1781723762 HWZCEVKAKDKDPK-YLJYHZDGSA-N 402.256 -0.527 50 20 HBGD CC(C)n1cnc(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)n1 1783934633 JEJCORBGYNWGCH-IBGZPJMESA-N 421.502 -0.325 50 20 HBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](F)Cl)CCO2)C1 1784369647 GIMXHIRWDXPVJQ-CKEIUWERSA-N 415.853 -0.179 50 20 HBGD CC(C)(O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1786655974 GQSOUHHKAGOUMT-RCBQFDQVSA-N 419.482 -0.561 50 20 HBGD Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)on1 1791288118 ZPZRVDBEESEJNC-XIRDDKMYSA-N 421.498 -0.122 50 20 HBGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)NC1 1792582325 AKMNZFBVFLQVAR-GHMOJZLGSA-N 402.289 -0.114 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CNC1=O)[C@H](F)Br 1794012176 CHEDXRYFNXVJHP-NHRVJRKFSA-N 405.224 -0.133 50 20 HBGD Nc1nc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2ccc(B(O)O)cc2)C3)cs1 1796111628 INHYJBWUDYVCHD-BTTYYORXSA-N 400.269 -0.029 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc[nH]1)C2 1796440903 DKVQJLBMJCVBSG-NNGSTNBRSA-N 413.438 -0.253 50 20 HBGD O=C(CN1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830722570 DKJMQMNKOCWHGN-CRAIPNDOSA-N 403.907 -0.472 50 20 HBGD Cn1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)n1 1830722880 IJAWZUJWYXCOPJ-PBHICJAKSA-N 400.863 -0.981 50 20 HBGD O=C(c1ccc(F)cn1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830725586 QCZKSGCVLNDFMO-YOEHRIQHSA-N 401.822 -0.110 50 20 HBGD Cc1cnn(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)c1 1836193879 ZUYFWIVDVJGDQK-RHSMWYFYSA-N 400.863 -0.752 50 20 HBGD Cn1nncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839197677 FHJHHJBGJZMVAC-FZMZJTMJSA-N 420.239 -0.424 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C(\C)NC(C)=O)C2)C1 1840155232 TXSHVBVLVYZDBA-IEDYDWBKSA-N 417.890 -0.264 50 20 HBGD CCC[C@H](NC(C)=O)C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1847006091 XPPHTORGDOVZCS-KRWDZBQOSA-N 401.272 -0.512 50 20 HBGD Cc1cc(N2CC[C@@H](NC(=O)NNC(=O)CNC(=O)c3ccco3)C2=O)n(C)n1 743576849 KNPGRRIKLXTAOZ-LLVKDONJSA-N 403.399 -0.813 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)N[C@H]3CC[C@H](O)CC3)nc2)CC1 753719225 SRHKAJUNFGZSRF-HDJSIYSDSA-N 412.516 -0.053 50 20 HBGD COc1cccc(S(C)(=O)=O)c1NNC(=O)CNS(=O)(=O)c1cnn(C)c1 768634098 FIWPAVRQZXMHLT-UHFFFAOYSA-N 417.469 -0.746 50 20 HBGD COc1cc(C(=O)NNC(=O)c2ccnc(S(N)(=O)=O)c2)cc(OC)c1OC 776318223 RBSCMEPRLGGOPV-UHFFFAOYSA-N 410.408 -0.170 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1nc(CC(C)(C)C)cs1 789736011 YPQWEAYOOKMVBB-MRVPVSSYSA-N 405.502 -0.245 50 20 HBGD COCCN1C[C@H](C(=O)OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1=O 800131863 MIHVMBXXYJUYNO-GFCCVEGCSA-N 408.367 -0.606 50 20 HBGD O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NNC(=O)[C@H]1CCc2nncn2C1 816885208 TWZPYEDEMLWAPM-NSHDSACASA-N 417.451 -0.883 50 20 HBGD COC(=O)c1c(F)cccc1NNC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 819715305 AFBUVAAOPCJDGN-UHFFFAOYSA-N 404.358 -0.497 50 20 HBGD COc1ccc(C(=O)NCCCC(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 919885976 OOBPTPFAGRBFJM-CYBMUJFWSA-N 412.468 -0.277 50 20 HBGD C[C@@H]1CC[C@H](C(=O)N2CC[C@@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)O1 1778198601 KCRZCIPEFXPQIF-ZTQAJYAQSA-N 402.256 -0.623 50 20 HBGD CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1781400344 KTWRSHIRCSJZNU-MGPUTAFESA-N 417.271 -0.389 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](COC)NC(C)=O)CCO2 1783877892 RJKJHLQMNASLTI-GRDNDAEWSA-N 405.879 -0.779 50 20 HBGD O=C(O)c1cnncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784091081 IWWXUDXVYBAMKZ-HBEIAFGSSA-N 412.830 -0.632 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCN1CCOC1=O 1797744598 FYDDRNSQAUQBIK-QDMKHBRRSA-N 409.487 -0.160 50 20 HBGD O=C(Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](O)CCl)CC2)c1cccc(B(O)O)c1 1815350601 ZSNLRHXNKNKGBQ-AAEUAGOBSA-N 423.687 -0.352 50 20 HBGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H](NC)C(=O)O)C2)C1 1831647781 YMVAGBOQZBBTKD-SUNYJGFJSA-N 419.906 -0.087 50 20 HBGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncnn3C)CCO2)C1 1833845547 TYCWPJSYZHZNCO-IAQYHMDHSA-N 416.276 -0.332 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn(C)cn3)C2)C1 1840150023 DVTQOCVVVPDEAU-CXAGYDPISA-N 400.863 -0.256 50 20 HBGD O=C1Cc2cc(C(=O)N3CC4(CCCN4C(=O)c4ccc(B(O)O)cc4)C3)ccc2N1 1843011638 YPDCQWKVZMXYJZ-UHFFFAOYSA-N 419.246 -0.008 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844300282 XBSOQCCEDHDEDB-YPKZHZFPSA-N 415.255 -0.288 50 20 HBGD COc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)Cc2cc[nH]n2)cc1OC 730090904 RAXRSWQMVATCEE-UHFFFAOYSA-N 411.440 -0.515 50 20 HBGD O=C(COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NNC(=O)c1cccs1 745478691 NBXBFPYOVGROPO-HFOBELJZSA-N 407.404 -0.785 50 20 HBGD O=C(NNC(=O)[C@@H]1COc2ccccc2O1)[C@H]1CC(=O)N(CCN2CCOCC2)C1 746308555 PIEIXRMCYKRIMX-YOEHRIQHSA-N 418.450 -0.846 50 20 HBGD Cn1nnc2cc(C(=O)OCC(=O)NNC(=O)[C@@H]3COc4ccccc4O3)cnc21 754898472 DOURKWKSZJLNCK-AWEZNQCLSA-N 412.362 -0.493 50 20 HBGD CCC(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(CC)CC2)c1 763441630 YQUXEWVEHHHNKK-UHFFFAOYSA-N 411.484 -0.491 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccccc1OC(F)(F)F 764228569 YGBLKCIJBFHBQM-SSDOTTSWSA-N 412.346 -0.391 50 20 HBGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1C 764401830 XRNQPXZBUFCLMJ-CQSZACIVSA-N 408.455 -0.031 50 20 HBGD CN(C)c1ccc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1F 764817262 OTESHTABLGTAII-UHFFFAOYSA-N 401.402 -0.211 50 20 HBGD CC(C)CC(=O)NNC(=O)[C@H](C)OC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 771992950 IDTLHWUPAIJSQK-RWMBFGLXSA-N 417.484 -0.853 50 20 HBGD CN1C(=O)c2ccc(S(=O)(=O)NNC(=O)CNC(=O)OC(C)(C)C)cc2C1=O 777940259 JCLJJNZUNNJLFG-UHFFFAOYSA-N 412.424 -0.253 50 20 HBGD COC(=O)c1cccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)c1OC(C)C 799258502 BRDZZGRJEGOJSB-ZDUSSCGKSA-N 409.395 -0.238 50 20 HBGD COCCN(C)NC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 808071672 IJDYSJMKWQPJRB-UHFFFAOYSA-N 401.485 -0.132 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)ccc3O)C2)C1 1782049074 KYYGIXFQMOXULS-HXUWFJFHSA-N 420.466 -0.086 50 20 HBGD C[Si](C)(C)OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)C=CC3=O)C[C@@H]21 1788764487 UVUZCMQFDCYBGX-KKUMJFAQSA-N 423.542 -0.257 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[C@H]1CCCCO1 1792565367 SRNDTYRNWODBAU-CYGHRXIMSA-N 402.256 -0.861 50 20 HBGD Cc1cccnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1793532740 MFQOEFLINFMXLS-CCWDJLKJSA-N 403.483 -0.034 50 20 HBGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1)n1cccc1 1795741041 WQFMAOCPKAKRQY-VYCZESIESA-N 411.267 -0.368 50 20 HBGD Cc1cc2nnc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@@H](O)CCl)C4)c(C)n2n1 1796924090 XMQDKZPQDSXDQD-ZWUHOBOKSA-N 422.873 -0.456 50 20 HBGD CNC(=S)NCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1798444450 VBXLLMRQJUMDPM-MUJYYYPQSA-N 418.328 -0.898 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC[C@H](O)CC1)C2 1801012143 HYSQIFRYSOTQMM-JJHFGIKNSA-N 410.515 -0.500 50 20 HBGD O=C(CCc1ccoc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1801484302 IFUCNWIGKQDZOQ-XEMDLRDOSA-N 412.251 -0.205 50 20 HBGD O=C([C@@H](O)CCl)N1CCO[C@@]2(COCCN(C(=O)C(F)(F)C(F)F)C2)C1 1830726029 NIQCRXYMMCUVLI-ZANVPECISA-N 406.760 -0.057 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)COCCO)CC1 1831874176 KECVALBPTMVTGC-QGZVFWFLSA-N 412.531 -0.012 50 20 HBGD O=C(c1n[nH]cc1[N+](=O)[O-])N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1837794623 VTFJDRKIXFHABM-BXUZGUMPSA-N 405.770 -0.078 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)[C@@H]3C=CCN3)CC2)CC1 1838065815 NGXDSIVOWDEARO-SFHVURJKSA-N 421.542 -0.114 50 20 HBGD COCc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)c1 1838511948 AQPXLVGWXGOYKG-MAUKXSAKSA-N 415.874 -0.169 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1 1840033686 MUSAGHCRUWGABS-ZUZCIYMTSA-N 417.260 -0.898 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)[C@H]1CCCS1(=O)=O)C2 1844265113 VMZVBNGZHXASQU-CQSZACIVSA-N 421.479 -0.921 50 20 HBGD CC(=O)NCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(B(O)O)c1 1847878403 JJWQAYQFLASBHY-IRXDYDNUSA-N 401.272 -0.656 50 20 HBGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c(C)c1 50532728 ZCTDAOKPMWGQLU-NSHDSACASA-N 405.454 -0.539 50 20 HBGD CS(=O)(=O)NC[C@H]1CCCN(C(=O)NNC(=O)CNC(=O)c2ccco2)C1 725871506 MBVSXVCGPYGWPO-LLVKDONJSA-N 401.445 -0.989 50 20 HBGD CCS(=O)(=O)NCCCNC(=O)NNC(=O)c1nn(-c2ccccc2)cc1O 728958553 QFUFCZLCOZDCMC-UHFFFAOYSA-N 410.456 -0.149 50 20 HBGD CCOC(=O)c1c(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)n[nH]c1C 751283474 WOKRDSOSPPFMGP-UHFFFAOYSA-N 415.453 -0.304 50 20 HBGD COc1ccc(C(=O)NNC(=O)COC(=O)CCS(=O)(=O)N(C)C)cc1OC 753879168 PUFLUMKBFOMFLK-UHFFFAOYSA-N 417.440 -0.711 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cc(F)cc(N2CCOCC2)c1 756281605 ZTFRDFONLADXGR-JTQLQIEISA-N 403.436 -0.247 50 20 HBGD C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NNc2ccc(C(N)=O)nn2)C1=O 757403251 ZHEFSHIFNRAZBB-KRWDZBQOSA-N 401.358 -0.375 50 20 HBGD CC(=O)N[C@@H](CC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1c(F)cccc1F 758031348 WAVGRUFRDSWKKI-UFBFGSQYSA-N 406.411 -0.383 50 20 HBGD O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)NNC(=O)C(=O)Nc1ccccn1 758839940 HKZACIJUSIYICP-UHFFFAOYSA-N 422.401 -0.761 50 20 HBGD CCN(CC(=O)NNC(=O)c1ccc(F)cc1)CC(=O)N[C@H]1CCS(=O)(=O)C1 762221630 GNZVGDCFOKPSHN-AWEZNQCLSA-N 414.459 -0.788 50 20 HBGD CN1CCN([C@@H](C(=O)NNC(=O)CNC(=O)c2cccnc2)c2ccccc2)CC1 764343682 QGGNXYYTJAOKOA-LJQANCHMSA-N 410.478 -0.053 50 20 HBGD CCNC(=O)N1CCc2ccc(NC(=O)C(=O)NNC(=O)[C@H]3COCCO3)cc21 764431616 DQZITXRVCAWLGE-CQSZACIVSA-N 405.411 -0.720 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)C(=O)Nc1ccc(N2CCCC2=O)cc1 784003873 CYTCCTVWZOIYSV-UHFFFAOYSA-N 413.390 -0.078 50 20 HBGD O=C(CN1CCN(S(=O)(=O)c2cc[nH]n2)CC1)NNC(=O)c1ccc(F)cc1 809989095 XMVPGBWCDYLNKS-UHFFFAOYSA-N 410.431 -0.684 50 20 HBGD COc1ccccc1CC(=O)NNC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 920050086 TWKJCWIBZVBQFY-UHFFFAOYSA-N 410.394 -0.111 50 20 HBGD C[C@@H](CN1CCN(C)CC1)NC(=O)NNC(=O)C1CCN(c2ncccn2)CC1 1318313854 SQOYTUMWWFFGHH-HNNXBMFYSA-N 404.519 -0.341 50 20 HBGD CN1CCN(CC(=O)N2CC[C@@]3(CN(C(=O)CO[Si](C)(C)C)CCO3)C2)CC1 1778261667 KOGLWVUZDGATEQ-IBGZPJMESA-N 412.607 -0.085 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(CCN(C(=O)c3ccncc3O)C2)C1 1779407382 SHOTXBJIYUJMMY-HXUWFJFHSA-N 411.223 -0.776 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cncs1 1786207225 NREWNZGNWMBHGT-BPUTZDHNSA-N 415.280 -0.270 50 20 HBGD CC(=O)NCC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1793704390 RMZSJWHRERXZQD-BCDXTJNWSA-N 415.299 -0.220 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)c1ccco1)C2)c1ccc(B(O)O)cc1 1795732733 DWMLWALBVHMXHR-XOIINTDNSA-N 412.207 -0.955 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@](C)(O)C(F)(F)F)C2 1801010834 XZDCJOAACXRZJV-VAECKANCSA-N 424.420 -0.738 50 20 HBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)C(F)(F)F 1801035077 CTYWAFFHNHQTGW-DTHBNOIPSA-N 415.796 -0.492 50 20 HBGD N=C1NCCN1CC(=O)NC[C@@H]1CCN(C(=O)[C@H](O)CCl)[C@H]1c1cccnc1 1807111374 CVLKDMVEUKJOCY-LZWOXQAQSA-N 408.890 -0.473 50 20 HBGD CCC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CNC(=O)O3)CCO2)C1 1831563193 BHINAURHOOCTGF-IGCXYCKISA-N 403.863 -0.041 50 20 HBGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=N)N)CCO2)C1 1835578344 RHHQHPGLVMYZTB-XHDPSFHLSA-N 420.308 -0.901 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCSC(=N)N)CCO2)C1 1835656284 IJTNNYCKAOHPRM-LRDDRELGSA-N 422.935 -0.287 50 20 HBGD CC(=O)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1839885654 JHIGEPQGXCWIDF-UKRRQHHQSA-N 424.267 -0.341 50 20 HBGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCS(C)(=O)=O)CCO2)C1 1840550254 LOUKVXZUOXLCCD-BBRMVZONSA-N 410.920 -0.105 50 20 HBGD O=C(c1c(O)cc(O)cc1O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843012018 VQCCULKHHHCSDE-UHFFFAOYSA-N 412.207 -0.386 50 20 HBGD C[C@@](O)(CC(=O)O)CC(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844265227 HMFDWRNZIWOKEC-SFHVURJKSA-N 419.438 -0.882 50 20 HBGD C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)CNC(=O)c1ccco1 725740333 TVUDOHODIWPBJL-JTQLQIEISA-N 412.399 -0.337 50 20 HBGD O=C(NCCNC(=O)c1cccnc1)NNC(=O)C1CCN(c2ncccn2)CC1 728959642 ONBGIBODLGWQQM-UHFFFAOYSA-N 412.454 -0.152 50 20 HBGD CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)NNC(=O)Cc2cccnc2)c1 729229563 IUGIAGKRKPTFES-UHFFFAOYSA-N 420.451 -0.499 50 20 HBGD COc1ccc(C)cc1N1C[C@@H](C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)CC1=O 729275306 NAHNJMGWLMRANE-NEPJUHHUSA-N 412.468 -0.558 50 20 HBGD Cn1cc(C(=O)NNC(=O)Cn2cnc3c(c(Br)nn3C)c2=O)cn1 735443924 KMZOHSAPLIDRNC-UHFFFAOYSA-N 409.204 -0.913 50 20 HBGD Cn1cc(C(=O)NNC(=O)CSCCOc2ccc(S(N)(=O)=O)cc2)cn1 735473388 UWTUKRPQQVCVDX-UHFFFAOYSA-N 413.481 -0.359 50 20 HBGD NS(=O)(=O)Cc1ccc(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 736542798 BCKLELOPESOCOM-UHFFFAOYSA-N 401.408 -0.474 50 20 HBGD Cn1ncc2c(=O)n(CC(=O)OCC(=O)NNC(=O)c3ccc(C#N)cc3)cnc21 744632378 LBWNTFAJWKLBBK-UHFFFAOYSA-N 409.362 -0.994 50 20 HBGD COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)NNC(=O)N2CCOCC2)c1 745833778 DWIZMOVATFEMNR-UHFFFAOYSA-N 401.397 -0.505 50 20 HBGD NC(=O)c1cc(S(=O)(=O)NCC(=O)NNC(=O)Cc2ccc(Cl)cc2)c[nH]1 746097922 DAUOXAIXAFSGGG-UHFFFAOYSA-N 413.843 -0.565 50 20 HBGD C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNC(=O)c1ccc2c(c1)OCCO2 755089789 HBADYRJXBZMSCE-JTQLQIEISA-N 409.424 -0.681 50 20 HBGD COc1cc(C(=O)NNC(=O)Nc2ncn(CC(=O)N(C)C)n2)cc(OC)c1OC 756771141 RDTRURJWUAWRQQ-UHFFFAOYSA-N 421.414 -0.141 50 20 HBGD Cc1ccnc(-c2ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc2)n1 764231732 PLKRRRLGNLKNBM-NSHDSACASA-N 420.451 -0.524 50 20 HBGD CN1CCCN(c2ccc(NC(=O)C(=O)NNC(=O)[C@H]3COCCO3)cc2)CC1 764435459 VQFDNZUIOMPVAJ-MRXNPFEDSA-N 405.455 -0.670 50 20 HBGD O=C(CCN1CCOCC1)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766637126 YDRMTHFEGGEEFH-UHFFFAOYSA-N 403.483 -0.686 50 20 HBGD COc1cc(SC)ccc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 773548290 XHIZRIBDDIZKFA-QMMMGPOBSA-N 404.470 -0.559 50 20 HBGD COc1ccccc1[C@@](N)(C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)C(F)(F)F 776103669 ZJGIWXRSZCPASM-LKFCYVNXSA-N 409.386 -0.006 50 20 HBGD Cn1cnnc1COCC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 814708621 PHHAQODZUKBCDX-UHFFFAOYSA-N 401.471 -0.309 50 20 HBGD Cc1c(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)nnn1-c1cccc([N+](=O)[O-])c1 818852935 DGQOMFMFPCBIIK-JTQLQIEISA-N 408.396 -0.320 50 20 HBGD CC(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 1251232652 DMRMKMLIIBDFGT-LBPRGKRZSA-N 403.482 0.000 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3cc(F)c[nH]3)CCO2)C1 1779034021 ITUVSFDAZNIRMZ-IBGZPJMESA-N 416.413 -0.090 50 20 HBGD CS(=O)(=O)CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781328115 ISTGGXPWVDBCMB-CMPLNLGQSA-N 401.254 -0.449 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCSC3)C2)C1 1785472533 GDQQALRQCRCQJA-OXQOHEQNSA-N 418.324 -0.047 50 20 HBGD O=C(Cn1cnnn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1787092164 AHKSNXBTBSVLTK-QFOLPQNPSA-N 405.228 -0.657 50 20 HBGD O=C(CNC(=O)c1cccs1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1794115217 LCOAYJAEYOKWLG-NWJSVONSSA-N 415.899 -0.333 50 20 HBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccnc1C(N)=O 1794270752 OYUBNONHRTYQMF-ZMJPVWNMSA-N 410.858 -0.363 50 20 HBGD Nc1ncc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)s1 1796191309 XTBKVBIUCXCCSB-BTTYYORXSA-N 400.269 -0.029 50 20 HBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)CS(C)(=O)=O)C2 1800970250 AGDZTPINAHSMSO-PEBLQZBPSA-N 410.920 -0.490 50 20 HBGD Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)ccn1 1801011943 XAXOGOPSSKBBGG-HGKCTWBKSA-N 403.483 -0.034 50 20 HBGD COC(OC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1831039135 ZGGRVWGDARFKCH-QMTHXVAHSA-N 413.240 -0.248 50 20 HBGD COC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1831637067 JRLDYPBHJZMNLG-HNAYVOBHSA-N 414.503 -0.902 50 20 HBGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnnn3C)CCO2)C1 1833236782 UHSCOWKICJOCQI-ABAIWWIYSA-N 416.276 -0.332 50 20 HBGD O=C(c1ccc(F)cn1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1834473132 OMDVBRGNBQDECO-RHSMWYFYSA-N 401.822 -0.110 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(F)F)CCO2 1835462002 DSCZNCLJCRNYKI-KRWDZBQOSA-N 406.430 -0.529 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@@]2(COCCN(C(=O)C3CCCC3)C2)C1 1835929505 RUZIFIVQCBXTFK-OAQYLSRUSA-N 416.283 -0.373 50 20 HBGD O=C(c1ccnc(Cl)n1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837919546 BNCVCIGQUOPEKF-WBMJQRKESA-N 419.265 -0.200 50 20 HBGD CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](F)Br)CCO2)C1 1839202540 JDNLGGOCPVQYFU-IFUGULHKSA-N 424.267 -0.342 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3nc(C)no3)C2)C1 1840151835 ORDRFIDUFXWFGS-CXAGYDPISA-N 416.862 -0.369 50 20 HBGD CC[C@H](NC(N)=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](Cl)COC)CCO2 1840152293 DTYXCQIYFQVSNW-IGCXYCKISA-N 420.894 -0.857 50 20 HBGD O=C1C[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C(Cl)Cl)CCO3)C2)CCN1 1840190858 QLKBUZMBPHNLGL-ZBEGNZNMSA-N 408.282 -0.227 50 20 HBGD C[C@H](C(=O)N1CCCC12CN(C(=O)CCC(=O)NN(C)C)C2)[C@@H]1SC(=N)NC1=O 1843409281 STEULKMNRZVCAZ-FZMZJTMJSA-N 424.527 -0.635 50 20 HBGD COc1ccc(C(=O)NNC(=O)Cc2cc[nH]n2)cc1S(=O)(=O)N1CCOCC1 730103063 WAIVHTPZLYVBKK-UHFFFAOYSA-N 423.451 -0.557 50 20 HBGD Cn1cc(N2CC[C@H](NC(=O)NNC(=O)Cc3nc4ccccc4n3C)C2=O)cn1 735583880 JTVAQWIOVJJXNU-AWEZNQCLSA-N 410.438 -0.015 50 20 HBGD COc1ccc(OCC(=O)NNC(=O)NCCCN2CCC[C@@H](C(N)=O)C2)cc1 745833590 YBMUGTUDDCUUPR-CQSZACIVSA-N 407.471 -0.008 50 20 HBGD COc1ccc(C(=O)NNC(=O)C(=O)N2CCCC2)cc1S(=O)(=O)N1CCCC1 748246755 OVTAJKUUGIXRTH-UHFFFAOYSA-N 424.479 -0.137 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc3nnc(O)n3c2)c1 762938446 PGLYOONIWZWFJG-UHFFFAOYSA-N 404.408 -0.240 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1-n1cnnn1 763577109 GVKCWDCPDDNYPD-MRXNPFEDSA-N 423.389 -0.103 50 20 HBGD N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)n1 764423634 CYGPVDDWRMCWMD-CYBMUJFWSA-N 418.797 -0.101 50 20 HBGD CCCN1C(=O)CCc2cc(NC(=O)C(=O)NNC(=O)[C@@H]3COCCO3)ccc21 764425414 PNQWHUDWILBPGU-HNNXBMFYSA-N 404.423 -0.123 50 20 HBGD CCOCCONC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 776199579 HXCPSHVRQNJXIT-UHFFFAOYSA-N 416.456 -0.380 50 20 HBGD CN1CCN(Cc2cccc(NC(=O)C(=O)NN[C@@]3(C)CCS(=O)(=O)C3)c2)CC1 783427810 QHHWQSVJBRFAKN-IBGZPJMESA-N 423.539 -0.430 50 20 HBGD COc1ccc(CS(C)(=O)=O)cc1NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 806634550 JRNQDSHLHAJTRG-SECBINFHSA-N 422.485 -0.670 50 20 HBGD COCCN1C[C@@H](C(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)CC1=O 914460170 WUZWRXJGIUWIBZ-LBPRGKRZSA-N 411.484 -0.456 50 20 HBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCNS(C)(=O)=O)c1 914881689 RJADTBOJNLFFSP-UHFFFAOYSA-N 420.513 -0.583 50 20 HBGD Cc1nn[nH]c1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(=O)NN(C)C)C1 1782212017 ONRWDFQZWJHVSG-AUUYWEPGSA-N 421.502 -0.386 50 20 HBGD O=C(c1nc2ccc(F)cn2n1)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1782566328 XRWHIOXXMOZOMI-PXAZEXFGSA-N 411.821 -0.088 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)n3cnnn3)[C@H]2C1 1791692550 UBCQTIBZJNHMIS-HTOAHKCRSA-N 400.867 -0.532 50 20 HBGD CCNC(=O)N[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796191406 HXCJZEPFIRRCPF-VDNDLQMASA-N 416.287 -0.674 50 20 HBGD CC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1799268888 GDXQUYMIGZZFQB-BAESOJJISA-N 409.874 -0.094 50 20 HBGD C[C@H](CBr)C(=O)N1CCO[C@@]2(COCCN(C(=O)COCCO)C2)C1 1830543703 ZELMISOESLENRO-CZUORRHYSA-N 423.304 -0.517 50 20 HBGD O=C(c1ccnc(F)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830726916 WMAZCYGZSLJWFS-DYVFJYSZSA-N 401.822 -0.110 50 20 HBGD O=C(c1ncccc1F)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830731423 JIMPNHUCNUIWLP-DYVFJYSZSA-N 401.822 -0.110 50 20 HBGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CS(=O)(=O)CC)CCO2)C1 1831340160 BNHBZHHQFYVYKM-XJKSGUPXSA-N 410.920 -0.105 50 20 HBGD O=C([C@H](O)CCl)N1CCC([C@@H]2CCCCN2C(=O)CN(CCO)CCO)CC1 1831482029 IUZHZNSRNYKCJE-DLBZAZTESA-N 419.950 -0.508 50 20 HBGD COc1nccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1833502577 NGENVPPEDHBNAQ-YVEFUNNKSA-N 414.846 -0.845 50 20 HBGD CCOCC(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798008 UXTFWQPFMIASCR-UHFFFAOYSA-N 417.315 -0.412 50 20 HBGD O=C(CCc1cncnc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1836049347 QYDVMHPYQFJXAM-YJBOKZPZSA-N 412.874 -0.535 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)C1 1839142567 SBEJBXKVZCUJDN-NVGCLXPQSA-N 416.862 -0.942 50 20 HBGD CC[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)COCCO)CCO2)C1 1839195215 HPSYPCDCBNOZQF-CJNGLKHVSA-N 423.304 -0.375 50 20 HBGD CC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1839859438 KFHWOWGOARRJEU-KRWDZBQOSA-N 401.536 -0.570 50 20 HBGD CC[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1839865447 BKOLOMXDUCMACE-LRDDRELGSA-N 420.304 -0.118 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2cnnc(Cl)c2)C1 1842124290 YKAOTYYFSWHLRX-UHFFFAOYSA-N 400.631 -0.059 50 20 HBGD NC(=O)CNS(=O)(=O)c1ccc(C(=O)NNC(=O)CCCc2ccccc2)o1 746209864 FLEMVHDDDUWCGA-UHFFFAOYSA-N 408.436 -0.173 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2ccc(F)c(F)c2)n(C)c1=O 755374682 LGUGHIRKCRIKAY-UHFFFAOYSA-N 407.337 -0.435 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(=O)n(Cc2ccccc2)c1 755960678 RHHGDPGHDZYNQY-GFCCVEGCSA-N 407.452 -0.013 50 20 HBGD CN1C(=O)NC2(CCN(CC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)CC2)C1=O 761104784 HRGVXMQGSZMPMW-UHFFFAOYSA-N 404.383 -0.628 50 20 HBGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)n(-c2ccccc2C)n1 764232372 STSBAAPEOVHROZ-GFCCVEGCSA-N 422.467 -0.487 50 20 HBGD CCOc1ccc(CC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 765732498 WDMMQSRNGOOSLO-UHFFFAOYSA-N 414.422 -0.778 50 20 HBGD Cc1nc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)C(C)(C)C)CC2)cn1C 767096271 JQKMPBVGZDBQDW-UHFFFAOYSA-N 400.505 -0.772 50 20 HBGD CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 767685434 VKZRTIAIYCFLMC-GHMZBOCLSA-N 408.477 -0.566 50 20 HBGD COC[C@]1(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)CCN(C(=O)OC(C)(C)C)C1 810346417 OTIFIGPHVXFTEB-BZNIZROVSA-N 422.504 -0.655 50 20 HBGD Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CC[C@@H](B(O)O)C3)c(Br)cc21 864230949 HHOFOGPAUZRNHY-MRVPVSSYSA-N 418.078 -0.123 50 20 HBGD O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)NNC(=O)c1ccc(-n2cnnn2)cc1 913155443 OCUMFOZBSXATOP-APYUEPQZSA-N 407.390 -0.770 50 20 HBGD N#Cc1ccc(OCC(=O)NNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1 914878786 AJWAKYCHNYCKGW-UONOGXRCSA-N 420.447 -0.880 50 20 HBGD COCCN(C)CCCNC(=O)NNC(=O)c1csc(N2CCOCC2)n1 916582149 OVYOAQHHKGWDTF-UHFFFAOYSA-N 400.505 -0.108 50 20 HBGD CN(CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](F)Cl)C2)C(=O)C(=O)O 1781541781 NWNAXSITKANXLR-RSAASHCRSA-N 407.826 -0.422 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1ccnn1)C2 1782212185 ZPXUPISKSAFWJD-DNVCBOLYSA-N 421.502 -0.835 50 20 HBGD Cn1ccnc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984544 NQSUEFFJCKXSFL-XIRDDKMYSA-N 412.255 -0.993 50 20 HBGD CN[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)Br)[C@H]2C1)C(=O)O 1791058242 UPFXJTNBKDDQOA-MOLYVOAJSA-N 420.304 -0.188 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCOC3)[C@H]2C1 1791754887 AYHURJLSTAECEM-PYTWLRIVSA-N 417.466 -0.685 50 20 HBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)CCl 1793111344 DRENBACWRHXDRS-KHMAMNHCSA-N 404.847 -0.281 50 20 HBGD Cc1nn(C)c(C)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801010580 ILVISTSKEDABEA-CCWDJLKJSA-N 420.514 -0.387 50 20 HBGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C)N1C[C@H]2C[C@@H]2C1 1801011366 IGLKXYAAGGFQKD-YTWOZJEVSA-N 421.542 -0.711 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCC2(CCCN(C(=O)Cn3ccnn3)C2)CC1 1810210834 OZIMRXFLWSISBY-UHFFFAOYSA-N 405.503 -0.118 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1813072751 FAZVMCJRCPWDFJ-MGPUTAFESA-N 415.450 -0.452 50 20 HBGD CC(C)(C)OC(=O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830726470 QKJXUESQLWUAFX-FZKQIMNGSA-N 420.890 -0.226 50 20 HBGD CN[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1)C(=O)O 1835766899 YIVHOUGKKDBSPL-BONVTDFDSA-N 412.270 -0.691 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc(C)[nH]n3)C2)C1 1840153371 MEKHDNYPJPFQEN-QAPCUYQASA-N 414.890 -0.029 50 20 HBGD O=C(NCCC(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2)c1ccc[nH]1 1842014993 HDTXSAWNENTPEJ-UHFFFAOYSA-N 424.266 -0.668 50 20 HBGD NC(=O)c1ccc(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)cc1 1846769984 SHBFDWASWZRVLR-UHFFFAOYSA-N 407.235 -0.404 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CCOc2ccccc2)n(C)c1=O 142699261 XUHMENOLAZJVSS-UHFFFAOYSA-N 400.395 -0.950 50 20 HBGD CCCn1nc(C(=O)NNC(=S)NCCS(C)(=O)=O)c2ccccc2c1=O 729157759 IUYRZDAJKWFJNI-UHFFFAOYSA-N 411.509 -0.040 50 20 HBGD C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)NNC(=O)c1csc(N2CCOCC2)n1 736371127 SEJTVPJRYQHIOO-GHMZBOCLSA-N 417.513 -0.159 50 20 HBGD NC(=O)c1ccc(C(=O)NNc2ccccc2S(=O)(=O)N2CCOCC2)nc1 744620249 HDEFVQGJJPXQAZ-UHFFFAOYSA-N 405.436 -0.042 50 20 HBGD CC(=O)Nc1cncc(C(=O)NNC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)c1 746300071 NSJWDILQSLLQEB-UHFFFAOYSA-N 423.455 -0.788 50 20 HBGD CN(C)C(=O)CN1CCC(NC(=O)NNC(=O)Cc2cn3ccccc3n2)CC1 746759377 FHHWUFUSZNLCQZ-UHFFFAOYSA-N 401.471 -0.240 50 20 HBGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c(C)o1 751299298 JRGNYVZMTIOFCE-UHFFFAOYSA-N 405.396 -0.453 50 20 HBGD Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 757877494 VDYJYUTZWDTHNM-LBPRGKRZSA-N 420.451 -0.133 50 20 HBGD C[C@@H](CNC(=O)C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2)S(N)(=O)=O 763734266 JXISMOHIOFCLEW-DKHPWKACSA-N 400.501 -0.467 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(Br)cc1 764228622 ZFTVVMGPUGGVQQ-ZETCQYMHSA-N 407.246 -0.527 50 20 HBGD Cc1ccc(C)c(-c2cc(C(=O)NNC(=O)Cn3cc(S(N)(=O)=O)cn3)n[nH]2)c1 765574901 BNCFBRHEHMWKML-UHFFFAOYSA-N 417.451 -0.001 50 20 HBGD CC(=O)N[C@@H](C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1)C(C)C 765736798 AXFNQAVLCQKGSE-GOSISDBHSA-N 403.483 -0.248 50 20 HBGD CCOC(=O)c1c(NC(=O)NNC(=O)[C@@H]2COCCO2)c(C#N)cn1CCOC 775766141 UOLKOCWYZLTKFE-LBPRGKRZSA-N 409.399 -0.249 50 20 HBGD CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)[C@H]1Cc2ccccc2O1 786417872 ZEBFRNSALQHTPD-CYBMUJFWSA-N 401.379 -0.314 50 20 HBGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1ccc2nccnc2c1Br 806980633 SEBKZTDRGQMBRF-SNVBAGLBSA-N 424.211 -0.106 50 20 HBGD O=C(CNc1ccccc1)NNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 823327306 DAFPPJBVIFXMIN-ZDUSSCGKSA-N 407.452 -0.589 50 20 HBGD O=C(CNS(=O)(=O)c1ccccc1F)NNC(=O)c1ccc(-n2cnnn2)cc1 913154163 SNRUCKSSVDXQFQ-UHFFFAOYSA-N 419.398 -0.459 50 20 HBGD O=C(COc1ccccc1F)NNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 914829779 UFXGYWRNAJEPEY-VXGBXAGGSA-N 413.427 -0.613 50 20 HBGD Cc1csc(CC(=O)NNC(=O)CN2CCCC[C@H]2CCNS(C)(=O)=O)n1 917159234 NYXCCSFVDKUNAG-ZDUSSCGKSA-N 417.557 -0.065 50 20 HBGD O=C(CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NNC(=O)c1cncn1-c1ccccc1 1116132392 GAVWXZOXTSPCGI-MUIFIZLQSA-N 409.402 -0.204 50 20 HBGD CCN(C)C(=O)c1cccc(S(=O)(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 1346862588 KQHVURIFVJLJJY-LBPRGKRZSA-N 403.482 -0.477 50 20 HBGD Cc1cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cnccc2C(=O)NN)CCO3)n[nH]1 1780264559 VCATVXLDKMORKY-LJQANCHMSA-N 413.438 -0.526 50 20 HBGD Cc1nccn1CC(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1782779868 PQPLRQYGNFHXTN-LJQANCHMSA-N 406.487 -0.606 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(CN(C(=O)CCBr)CCO2)C1 1783936935 XUJRAPOHZHVKQC-MRXNPFEDSA-N 419.320 -0.026 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)c1cnn2ncccc12 1787375431 TYAQKXMRAZCQOR-YUDUHTQSSA-N 407.858 -0.078 50 20 HBGD Cc1cn(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](F)Cl)[C@H]3C2)c(=O)nc1O 1787451610 ZFMUEPRRGVOBBP-ZJQBRPOHSA-N 416.837 -0.229 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)c1nc2ncccn2n1 1787937589 MVPNJAVGWICPBL-CYDGBPFRSA-N 408.846 -0.683 50 20 HBGD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1)n1ccnn1 1791293993 WHGNAZWDFMQOPV-VGWMRTNUSA-N 421.502 -0.808 50 20 HBGD C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1797708200 KGLBDRXROIPYAF-MVJTYMMSSA-N 416.283 -0.857 50 20 HBGD Cc1cncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)c1 1797749725 LRDLZENZSWZMNV-JLVBRIDZSA-N 424.461 -0.094 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1coc(Cl)n1)C2 1801009408 GCXWDWAGLZJQAU-QHBPRCKVSA-N 413.862 -0.096 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H]1CCCCO1)C2 1801010697 QIESPEPCDPQJKB-UIVXKWKOSA-N 410.515 -0.092 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812881990 GDJXETSZABVJJB-QRWLVFNGSA-N 415.450 -0.452 50 20 HBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2C=CCN2)[nH]n1)c1cccc(B(O)O)c1 1817475179 LXGDSAUBYFCXAF-RDJZCZTQSA-N 409.255 -0.077 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncn3C)CCO2)C1 1834331246 FVTNLGSFJCBCAY-GUYCJALGSA-N 400.863 -0.256 50 20 HBGD CCNC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1837383050 TVJXNTKBJZZBQW-HSMVNMDESA-N 408.858 -0.315 50 20 HBGD CC(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CO[Si](C)(C)C)CCO2 1837715802 KEVXRKKJTLABQP-QGZVFWFLSA-N 401.536 -0.570 50 20 HBGD O=C([C@@H](O)CCl)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CCO2 1840047849 JCBDWQQKGCUKMF-KAYRBKQESA-N 402.875 -0.390 50 20 HBGD CC(=O)NC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnccc1C(=O)NN 1847820222 MMXUVBCFXPADND-GJZGRUSLSA-N 402.455 -0.585 50 20 HBGD O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NNC(=O)C1CCN(c2ncccn2)CC1 728845007 DZZQQMDBPGVHBY-XJNFMUPTSA-N 424.461 -0.353 50 20 HBGD O=C(COc1ccccc1O)NNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 730782327 KXEICVQBUBIXIW-CQSZACIVSA-N 406.439 -0.901 50 20 HBGD NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)NNC(=O)Cc1ccsc1 734440127 OYTZDWSJBVNFTK-UHFFFAOYSA-N 410.433 -0.307 50 20 HBGD CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NNc2ccnc(N(C)C)n2)c1 740107425 GWMKLGMQVHRTFY-UHFFFAOYSA-N 423.499 -0.122 50 20 HBGD O=C(Cc1cn2ccccc2n1)NNC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 746553801 SPMFVNOBMRTJPO-UHFFFAOYSA-N 400.420 -0.478 50 20 HBGD Cc1ccc(OCC(=O)NNC(=O)NCCS(=O)(=O)N2CCOCC2)cc1 748111486 NBEOCWDXFXUYAG-UHFFFAOYSA-N 400.457 -0.634 50 20 HBGD CSC[C@@H](C(=O)NNC(=O)C(=O)N1CCCC1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 748247136 UUHFWUFCZNPXAZ-XQQFMLRXSA-N 410.496 -0.337 50 20 HBGD C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1 755047896 ACTKWAOQHGASJE-QWRGUYRKSA-N 413.431 -0.159 50 20 HBGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2cccc(-n3cnnn3)c2)n1 760892639 WBHWBSBBHMDWKG-UHFFFAOYSA-N 401.408 -0.026 50 20 HBGD Cc1ccc(-c2[nH]ncc2C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)o1 764819060 RRXMAOQBUBIQHJ-UHFFFAOYSA-N 410.394 -0.124 50 20 HBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)CN1CCCNC1=O 766641625 IGAHUGLXKGDFIZ-UHFFFAOYSA-N 402.455 -0.993 50 20 HBGD CC(=O)Nc1cncc(C(=O)NNC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1 773074272 MIVBKVHCXUDLCK-VDERGJSUSA-N 415.406 -0.647 50 20 HBGD O=C(CN1CCC(O)(CN2CCOCC2)CC1)NNC(=O)c1ccc([N+](=O)[O-])cc1 779605121 RQFABLXHSGLKCQ-UHFFFAOYSA-N 421.454 -0.485 50 20 HBGD COC(=O)[C@@H]1CCN(CC(=O)NNC(=O)c2cccc(C#N)c2)[C@@H](C(=O)OC)C1 780351824 SVIXRIHHBOUBNW-HUUCEWRRSA-N 402.407 -0.254 50 20 HBGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)ccc1C 784002425 OXBAWSPPKXQSDP-UHFFFAOYSA-N 402.363 -0.109 50 20 HBGD CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 787741348 WFZGUEAVECLVIJ-GHMZBOCLSA-N 418.414 -0.937 50 20 HBGD COc1ccc(C(=O)NNC(=O)CN2CCCC2=O)cc1S(=O)(=O)NC(C)C 789858147 PZAMGTUMHXCSTH-UHFFFAOYSA-N 412.468 -0.235 50 20 HBGD Cn1cnnc1COCC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 814731962 QYELVILFYCBESQ-UHFFFAOYSA-N 422.467 -0.423 50 20 HBGD COC(=O)C1(C(=O)N2CC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)CC1 1783218654 NNFNVSKNIPNUSB-GOSISDBHSA-N 410.471 -0.858 50 20 HBGD O=C(CN1C(=O)C=CC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(Cl)Cl)C[C@@H]21 1791397236 WRUIQCOVKUWNCC-DCAQKATOSA-N 404.250 -0.305 50 20 HBGD CC(=O)c1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)n[nH]1 1794561370 SXNFRZCYACIYHN-IVWMJMPLSA-N 420.470 -0.812 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccccc1O)C2)c1ccc(B(O)O)cc1 1795736995 STKPNXJPLYDHAR-UPHUGPLXSA-N 424.262 -0.482 50 20 HBGD CC(=O)N/C(C)=C/C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798442764 CMZHDHPVUMJIJX-SJKWOIFFSA-N 414.466 -0.023 50 20 HBGD CC[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)n1cnnn1 1801438330 GDCKTWPVGKNMAY-UJPOAAIJSA-N 415.292 -0.003 50 20 HBGD O=C([C@@H](O)CCl)N1CCCC2(CCN(C(=O)[C@@H](O)N3CCOCC3)CC2)C1 1805522688 KGRQNYBPEUZSTK-WMLDXEAASA-N 403.907 -0.532 50 20 HBGD CC[C@H](O)C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807365292 MOWFKWJVPQXQDO-NZSAHSFTSA-N 411.267 -0.148 50 20 HBGD COCCOCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CO[Si](C)(C)C)CCO2 1837712534 XLNUDXPUEWRLGL-SFHVURJKSA-N 418.563 -0.043 50 20 HBGD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1)n1cccn1 1840438784 PCABSHAWIYNGED-CPUCHLNUSA-N 400.863 -0.500 50 20 HBGD CC[C@H](Br)C(=O)N1CC2(CCCN2C(=O)C[C@H]2NC(=O)NC2=O)C1 1841962977 QPUIKPFOFIBAAA-VHSXEESVSA-N 401.261 -0.039 50 20 HBGD CC(C)c1nc(CC(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)no1 1843013088 HEEWWHAMWSUNDI-UHFFFAOYSA-N 412.255 -0.068 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)c2cnncc2C(=O)O)C1 1844460339 XRFFCRVJYCCVDD-UHFFFAOYSA-N 404.427 -0.635 50 20 HBGD CNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 23787588 AEMBRCNMQDUQPZ-UHFFFAOYSA-N 401.408 -0.355 50 20 HBGD Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NNC(=O)c2cnn(C)c2)C1 735472973 HZOLTGYZRFFYNE-LBPRGKRZSA-N 409.472 -0.378 50 20 HBGD N#Cc1ccc(OCC(=O)NNC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cc1 742470794 KCDBCZDYKWFHSF-DTTOXWODSA-N 412.402 -0.363 50 20 HBGD O=C(CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)[C@H]1COc2ccccc2O1 742471013 ZOYWNHADAHVTIF-DFMBRWPFSA-N 401.375 -0.864 50 20 HBGD CCn1cc([N+](=O)[O-])c(C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)n1 755564124 PJFQUCVFUMTTMG-CYBMUJFWSA-N 419.350 -0.045 50 20 HBGD CC(=O)N1CCCC[C@@H]1C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 756239673 CJHRHHSCIAYYCS-CZUORRHYSA-N 405.407 -0.082 50 20 HBGD CCn1cc(C(=O)C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cn1 758067130 GNMZAYAFOZPEAE-UHFFFAOYSA-N 407.452 -0.138 50 20 HBGD COC(=O)c1cn([C@@H]2CCN(C(=O)NNC(=O)CNC(=O)c3cccs3)C2)nn1 760668356 HHVDQZJQLCMFMU-SNVBAGLBSA-N 421.439 -0.456 50 20 HBGD NC(=O)c1ccc(F)c(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 763575027 PBFUYXVJIDSJNX-AWEZNQCLSA-N 402.338 -0.150 50 20 HBGD Cc1ccc(-c2ncco2)cc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 764233367 WDZPJLJTWXCIPB-JTQLQIEISA-N 409.424 -0.326 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cc3ccccc3oc2=O)n(C)c1=O 765726780 FXCJMLOESVKHAG-UHFFFAOYSA-N 424.373 -0.999 50 20 HBGD CC(C)S(=O)(=O)CC(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766644844 CIQKAFUXOJZODE-UHFFFAOYSA-N 410.496 -0.585 50 20 HBGD CS(=O)(=O)NCC(=NNC(=O)CSc1nnc(O)nc1O)c1ccccc1 766692087 FEOLQRAFLJPHMU-UHFFFAOYSA-N 412.453 -0.555 50 20 HBGD CCn1nc(C(=O)NNC(=O)NCc2nnnn2CC2CC2)c2ccccc2c1=O 771377633 KDUSWYWGRDWJAU-UHFFFAOYSA-N 411.426 -0.043 50 20 HBGD C[C@H](C(=O)NNC(=O)CNC(=O)OC(C)(C)C)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 778442256 UVGLZOHOXLQXGH-JKKYPKHBSA-N 410.427 -0.791 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)cc1C(=O)N(C)C(C)C 787550640 XAPFOHDKRSVKCI-HNNXBMFYSA-N 406.439 -0.023 50 20 HBGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1cc2c(cc1OC)NC(=O)CO2 797430449 HLUGVCPVRDWGOJ-UHFFFAOYSA-N 414.440 -0.360 50 20 HBGD COc1cc(N2C[C@@H](C(=O)NNC(=O)C(=O)NC3CC3)CC2=O)cc(OC)c1OC 913470941 GMBTXHQZIVFGPN-JTQLQIEISA-N 420.422 -0.509 50 20 HBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCc1nc(N(C)C)no1 1117652323 BJFTVUKMVBZCCG-UHFFFAOYSA-N 410.460 -0.119 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)CN3CCN(C(C)=O)CC3)C2)C1 1778353925 DJPDOXDILQNXOD-APWZRJJASA-N 414.934 -0.002 50 20 HBGD Cc1nocc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779030893 JTWRXTFSBGTCPF-IBGZPJMESA-N 414.422 -0.261 50 20 HBGD CN[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)Br)C2)C1)C(=O)O 1783531930 AHQIJHZMJWWJNX-HFAKWTLXSA-N 406.277 -0.338 50 20 HBGD Cc1cnn([C@H](C)C(=O)N2CC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)c1 1784456319 UJUXSVBXOHYNGK-OXQOHEQNSA-N 420.514 -0.045 50 20 HBGD CCNC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](Cl)COC)[C@H]2C1 1791255521 RVRBGLBUUGBXDY-YTFOTSKYSA-N 418.922 -0.073 50 20 HBGD COC(=O)[C@@H]1CC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)C1 1792975006 HQHJVKHIAKITCG-PMXAPFLYSA-N 402.875 -0.235 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1ON=C(c3ccccc3)O1)C2)[C@H](O)CCl 1792981508 LNEDDYTXRRVOCF-YHZMMZGRSA-N 423.853 -0.090 50 20 HBGD CN1N=C(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCBr)C3)CCC1=O 1793784552 NIDZQJQJTNVODD-QHBPRCKVSA-N 415.288 -0.031 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1cnc[nH]1)C2)c1cccc(B(O)O)c1 1795740726 JRQZJRPBXNRAIX-JXYHFPMYSA-N 410.239 -0.994 50 20 HBGD O=C(CCN1CCOC1=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796191374 DYCBCKVMUINNIY-BJWYYQGGSA-N 415.255 -0.540 50 20 HBGD N#Cc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c1 1798859456 XFKZOIPBVJRTRK-OPVJXMOQSA-N 419.246 -0.245 50 20 HBGD CN(C)C(=O)C(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807370573 GZGRGVLDIZOXMV-SJLPKXTDSA-N 424.266 -0.831 50 20 HBGD O=C1CN(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H](O)CCl)n[nH]2)C(=O)N1 1814867560 NJQDPNBVGPOQHM-GHMZBOCLSA-N 412.834 -0.447 50 20 HBGD N=C1NCCN1CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](O)CCl)CC2 1814916247 QBSDXGOPXLQBCW-WPRPVWTQSA-N 400.892 -0.505 50 20 HBGD O=C(/C=C/C1CC1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1830787007 DFAQDEWWGFUPQX-BXKJMJEDSA-N 414.267 -0.597 50 20 HBGD CC(=O)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)n[nH]1 1833820533 FRRNFKFCENVHSP-RHSMWYFYSA-N 414.846 -0.718 50 20 HBGD CN[C@H](CC(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)C(=O)O 1834740778 VBAKOCOJVFHYIB-CABCVRRESA-N 418.922 -0.780 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCC=CO1)CCO2 1837419179 UVBYUZIKEQQQRH-OXJNMPFZSA-N 424.498 -0.492 50 20 HBGD C/C=C(\C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccc1C(=O)NN)CCO2 1837460382 FCAYDQXOZYNRAF-ZESSIIENSA-N 417.466 -0.279 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CC(=O)NC3=O)C2)C1 1839142260 LEBYMTISUXJGJP-SJKOYZFVSA-N 416.862 -0.988 50 20 HBGD C[C@@H](NC=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCBr)C2)C1 1839160255 QMLUKXPJKXBNDX-IUODEOHRSA-N 406.277 -0.638 50 20 HBGD O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)NNC(=O)C(=O)NC1CC1 726272487 MNMUQYDJPAYBFN-UHFFFAOYSA-N 423.495 -0.030 50 20 HBGD COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)C(=O)NC2CC2)c1 726618500 DSQZANXQPBKBNR-UHFFFAOYSA-N 418.859 -0.696 50 20 HBGD COC(=O)N[C@H](C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)C(C)C 733555579 UJDXXPKAJKOSOD-ZFWWWQNUSA-N 409.395 -0.102 50 20 HBGD COC(=O)c1ccc(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1Cl 749772998 VOIQLCRSGHKLHY-ZETCQYMHSA-N 413.861 -0.626 50 20 HBGD CC(C)S(=O)(=O)c1ccccc1NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 756530395 YIQNCBPNYHZNDB-SNVBAGLBSA-N 406.486 -0.041 50 20 HBGD COc1ccc(Cl)cc1C(=O)NNC(=O)CN1CCC(S(N)(=O)=O)CC1 761025353 CGLHKVIXPXJZIY-UHFFFAOYSA-N 404.876 -0.138 50 20 HBGD CN(C)C(=O)Cn1cc(NC(=O)C(=O)NNC(=O)COc2ccc(F)cc2)cn1 763839010 DGLAJGNUMFXDFJ-UHFFFAOYSA-N 406.374 -0.725 50 20 HBGD CCS(=O)(=O)Nc1ccc(S(=O)(=O)NNC(=O)N2CCOCC2)cc1F 765636646 NUZNPWYASHRDRJ-UHFFFAOYSA-N 410.449 -0.178 50 20 HBGD CCOCCONC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 776198329 YJTSELHZAOGSBF-UHFFFAOYSA-N 402.477 -0.388 50 20 HBGD Cc1nc2cc(C(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)ccc2o1 792238682 VMGBGXSVVVGSBV-UHFFFAOYSA-N 411.378 -0.655 50 20 HBGD C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 792854369 JPPYDUKWIVZGNW-GXTWGEPZSA-N 414.509 -0.283 50 20 HBGD C[C@H]1CN(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)C[C@H](C)S1(=O)=O 811874028 GTUTYUWOOUCJSY-STQMWFEESA-N 410.500 -0.059 50 20 HBGD Cc1ccc(C(=O)NNC(=O)COC(=O)c2cc(S(N)(=O)=O)cnc2C)cc1 815275278 MXDLPTYHDLTJOW-UHFFFAOYSA-N 406.420 -0.036 50 20 HBGD NC(=O)[C@@H]1CCCN1Cc1cccc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 920932885 JCARIVDTDVRQEK-HIFRSBDPSA-N 423.495 -0.276 50 20 HBGD O=C(CN1CCOCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2 1795441721 RJYVWSLDKAQQOI-XCCSTKFXSA-N 408.268 -0.401 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1cnc(O)nc1O 1796189287 TYKCUQMWUJAEGX-BTTYYORXSA-N 412.211 -0.867 50 20 HBGD O=C([C@H](O)N1CCOCC1)N1CCC([C@H]2CCCCN2C(=O)[C@@H](O)CCl)CC1 1824185807 HMIOGHYDZFYFRJ-GJYPPUQNSA-N 417.934 -0.144 50 20 HBGD CC(=O)NCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1825161298 DJUZZBWEPZIBMM-CYBMUJFWSA-N 416.268 -0.815 50 20 HBGD O=C(c1ccc(Cl)nn1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830731152 IHRINLNRIFYCKW-LRDDRELGSA-N 419.265 -0.200 50 20 HBGD O=C(c1ccc2nn[nH]c2c1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830736409 SIMWEJQYCMBMNP-YJBOKZPZSA-N 423.857 -0.372 50 20 HBGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CS(C)(=O)=O)CCO2)C1 1835249809 DLNDWRMGVAMREG-XJKSGUPXSA-N 410.920 -0.105 50 20 HBGD CC(=O)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Br)C2)C1 1839886249 PRIZDWQCFOMZDJ-MLGOLLRUSA-N 420.304 -0.248 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)CN2CCSCC2)C1 1841040327 MQNCDPPCEGJAHZ-UHFFFAOYSA-N 403.313 -0.768 50 20 HBGD O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)NNC(=O)C1CCN(c2ncccn2)CC1 729500115 GEESVJZHRVBVNS-HZPDHXFCSA-N 403.487 -0.113 50 20 HBGD CCOCC(=O)NNC(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 735190803 POUGTXSXCTXEKU-UHFFFAOYSA-N 413.500 -0.510 50 20 HBGD C[C@H](C(=O)NNC(=O)[C@H]1COc2ccccc2O1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 742241866 NCLVEEXJEKNPHM-QDYJPZLASA-N 415.402 -0.475 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1F 764227897 SLUYPYYTAFQYGW-ZCFIWIBFSA-N 414.337 -0.132 50 20 HBGD O=C(O)Cn1cc(C=NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)nn1 768475886 DPGCWIBPHBIQGT-UHFFFAOYSA-N 406.424 -0.089 50 20 HBGD CC(C)[C@@H](C(=O)NNC(=O)CNC(=O)c1cccs1)N1CCCS1(=O)=O 772694146 KSLNAJKPSWUQMO-ZDUSSCGKSA-N 402.498 -0.315 50 20 HBGD CN(C)S(=O)(=O)c1cc(C(=O)NNC(=O)Cc2cn3ccccc3n2)n(C)c1 778683864 VFFVNPOVZYWGCV-UHFFFAOYSA-N 404.452 -0.073 50 20 HBGD CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)NNC(=O)NCC(=O)OC)ccc2O1 779846667 NHRIHUVEJZPCFE-GFCCVEGCSA-N 401.397 -0.781 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)N2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 801110449 BHMPNNDEYMYTOV-GZENYHORSA-N 414.418 -0.368 50 20 HBGD C[C@H]1CN(CCC(=O)NNC(=O)C(=O)N2CCN(c3ccccc3)CC2)C[C@@H](C)O1 812452615 ZHSLGWWGQNPHCU-CALCHBBNSA-N 417.510 -0.018 50 20 HBGD COCCN1C[C@H](C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CC1=O 914590632 PTLDAJIOLWOTNR-DOMZBBRYSA-N 421.406 -0.988 50 20 HBGD CN(C)C(=O)NCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781326202 VIMZZSSXWUZVCD-BXUZGUMPSA-N 409.256 -0.222 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783938095 SVKXPBKKEXESNG-DYVFJYSZSA-N 404.895 -0.557 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)C(F)(F)Cl)C2)C1 1784173678 NZVOVOXHVPSRHY-OAHLLOKOSA-N 402.590 -0.359 50 20 HBGD CC[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(N)=O)[C@H]2C1 1792285877 KYIKYSHCRMNDAD-BJDJZHNGSA-N 405.293 -0.192 50 20 HBGD O=C(CSc1ncccn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1795836298 ZLPUNQSQJOMDQH-GFQSEFKGSA-N 400.888 -0.242 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1cc(O)nc(O)c1 1796189270 RSTCZQZLCIUSHN-MUJYYYPQSA-N 411.223 -0.262 50 20 HBGD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)ccn1 1798088678 ZKZKUSKYRQUFEX-IZZQQSIFSA-N 409.251 -0.413 50 20 HBGD C[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2 1800201216 KKITWZYQLLBPMQ-CNBXADPUSA-N 424.885 -0.611 50 20 HBGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCCS1(=O)=O 1800395958 RAKKBMRRMCNJJQ-WJTVCTBASA-N 423.329 -0.063 50 20 HBGD CCS(=O)(=O)CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCC(=O)NN(C)C 1802333704 BKLPSOSWHMTJSO-BTTYYORXSA-N 402.517 -0.568 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)CNC(N)=O)[C@@H]1c1cccnc1 1813075100 YGGVILRGFZAFIQ-RDTXWAMCSA-N 419.486 -0.871 50 20 HBGD O=C(O)C#CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1822200048 DONLSCSSGMDITJ-OAHLLOKOSA-N 410.195 -0.517 50 20 HBGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1831640939 TUBKKKDXEWKEIG-DCGLDWPTSA-N 403.863 -0.041 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCN1C)CCO2 1832066197 BCOYNEXHXXWBKR-RLFYNMQTSA-N 403.907 -0.209 50 20 HBGD CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(B(O)O)c4)CCO3)C2)CCC1 1835933977 JGSNFMRQNOHTTD-NRFANRHFSA-N 416.283 -0.373 50 20 HBGD O=C(c1nc[nH]n1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1836350466 CRHQZLBAUSBAIZ-NOZJJQNGSA-N 406.212 -0.435 50 20 HBGD O=C(c1ccc2nncn2c1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1837011422 BJSPFAZOPQVQIH-KBXCAEBGSA-N 423.857 -0.601 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)CS(C)(=O)=O)C2)C1 1837712063 CUROJWJEZQVHKS-MRXNPFEDSA-N 422.576 -0.661 50 20 HBGD Cn1nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(Cl)Cl)CCO3)cc1O 1840186368 KVKWTTMJZLRBEE-HNNXBMFYSA-N 407.254 -0.001 50 20 HBGD CCCC(=O)N[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1844359829 SRZUFCNMYSQVTE-AWEZNQCLSA-N 401.272 -0.512 50 20 HBGD C[C@@H](CC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1 729171080 KVAORFDFGSNZCC-WDEREUQCSA-N 406.457 -0.040 50 20 HBGD CCC1(CC)NC(=O)N(CC(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)C1=O 741827858 HIGZOGIBRODPOU-UHFFFAOYSA-N 415.406 -0.027 50 20 HBGD CCn1c(=O)nc(O)c2c(C(=O)NNC(=O)[C@H]3COCCO3)cc(C(C)C)nc21 744643874 YHQHFQNLDWHLDZ-GFCCVEGCSA-N 405.411 -0.183 50 20 HBGD Cc1[nH]c2ccnn2c(=O)c1CC(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1 745023518 DQXHDXPXPBVEPJ-UHFFFAOYSA-N 408.374 -0.250 50 20 HBGD COCCOCCS(=O)(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 754739612 FXVITROWXUKVET-UHFFFAOYSA-N 409.486 -0.836 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc2c3c(cccc13)CC2 764226269 HIBPWXLVAWCDIN-JTQLQIEISA-N 404.448 -0.038 50 20 HBGD CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)CO)cc1 764428918 NAXSQMICZWIWGW-UHFFFAOYSA-N 412.468 -0.282 50 20 HBGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NCc2nnnn2CC2CC2)nc1 771374261 KNTJAXIMLZZJNK-UHFFFAOYSA-N 409.476 -0.009 50 20 HBGD CCOC(=O)Cc1cccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)c1 784001806 DMSMCMLHPUFPOO-UHFFFAOYSA-N 416.390 -0.099 50 20 HBGD C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)CN1CCCC1=O 789857244 BQYYFOYIEPMNMK-JTQLQIEISA-N 402.860 -0.223 50 20 HBGD CC(C)C(=O)N[C@@H](CO)C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 813363525 LROPDVQILWOSLC-KRWDZBQOSA-N 405.499 -0.521 50 20 HBGD COc1cc(C(=O)NNS(=O)(=O)c2cc(C(N)=O)n(C)c2)cc(OC)c1OC 912979300 DIUKGHOOZCVDIS-UHFFFAOYSA-N 412.424 -0.227 50 20 HBGD COCCn1cc(CNC(=O)NNC(=O)c2csc(N3CCOCC3)n2)cn1 1321717287 SPIFHCJIMHFXNB-UHFFFAOYSA-N 409.472 -0.033 50 20 HBGD COCC(=O)NCCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 1321782645 ZZQRIZUPHBLRSO-UHFFFAOYSA-N 412.468 -0.615 50 20 HBGD COc1cccc(S(C)(=O)=O)c1NNC(=O)CN(C)[C@H]1CCS(=O)(=O)C1 1324015973 LWQKWUUOCVKOHW-NSHDSACASA-N 405.498 -0.339 50 20 HBGD CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2CC[C@@H](B(O)O)C2)c1 1331894316 CVFOVFQETSBJJU-CYBMUJFWSA-N 411.289 -0.538 50 20 HBGD Cc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2ccc(B(O)O)cc2)CCO3)o1 1784662134 PCQIUCVCRHJYDC-NRFANRHFSA-N 412.251 -0.046 50 20 HBGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)n1ccccc1=O 1788746864 VOQOGCRKHQNBTF-CWVYHPPDSA-N 411.886 -0.011 50 20 HBGD O=C(Cn1ccccc1=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796187136 MQKYVZVWSVDYSO-BCDXTJNWSA-N 409.251 -0.520 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc[nH]n1)C2 1796439715 YEDZFSYRLIREGR-UOEJNGGWSA-N 413.438 -0.253 50 20 HBGD O=C1CN(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H](O)CCl)CC2)C(=O)N1 1824178851 LSRGAYIVIWZKPV-UONOGXRCSA-N 414.890 -0.242 50 20 HBGD O=C(/C=C/C1CC1)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1830787010 DFAQDEWWGFUPQX-IRUYWQDXSA-N 414.267 -0.597 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCOC3=O)CCO2)C1 1831023350 KSYDCRFXTASZTL-CXAGYDPISA-N 419.862 -0.851 50 20 HBGD O=C(c1ccnc(F)c1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1831894924 GCVFLGWIDVUHFV-SUMWQHHRSA-N 401.822 -0.110 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)C34CC(C3)C4)C2)C1 1835940039 UJWHVQOUVKTSHS-UJWQOHNOSA-N 414.267 -0.764 50 20 HBGD C[C@H](NC=O)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](F)Br)CCO2)C1 1839201715 HIXDRYDXNRLYNM-MISXGVKJSA-N 410.240 -0.732 50 20 HBGD NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1839864568 BNLIMXCRYLYFJY-GXTWGEPZSA-N 410.240 -0.601 50 20 HBGD C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1840164721 PQLLIKUBBYFAQG-DYVFJYSZSA-N 402.517 -0.866 50 20 HBGD Cn1c(=O)c2c(ncn2CCC(=O)NNC(=O)c2cccc(Cl)c2)n(C)c1=O 17249029 BSBGHPBZVMHUNL-UHFFFAOYSA-N 404.814 -0.062 50 20 HBGD Cc1oc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1S(=O)(=O)N1CCCC1 729274267 HVPOBHWZWSUCBW-SECBINFHSA-N 422.485 -0.929 50 20 HBGD CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1 729275002 JIFYECHOHPYNJG-GHMZBOCLSA-N 420.513 -0.538 50 20 HBGD N#Cc1ccc(OCC(=O)NNC(=O)NCCNS(=O)(=O)c2cccnc2)cc1 746325565 FXMQLOVWPYGKKQ-UHFFFAOYSA-N 418.435 -0.359 50 20 HBGD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NNC(=O)C(=O)N3CCCC3)cc2)C1 748461648 QNHQKHLXOCIWHM-HNNXBMFYSA-N 416.482 -0.159 50 20 HBGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 748552292 GNWINAPGEMHCHC-UHFFFAOYSA-N 422.419 -0.493 50 20 HBGD Cc1cc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)n(C2CCN(C)CC2)n1 756891102 DAHBHFUGUHEROL-LLVKDONJSA-N 401.493 -0.451 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccc(Cl)c1 758030953 UIXCMGGYKYFDQN-DUFXMDAXSA-N 416.887 -0.056 50 20 HBGD C[C@H]1CN(c2ccccc2NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)C[C@@H](C)O1 764425648 PRKADYTZCBCDPO-ZENOOKHLSA-N 406.439 -0.199 50 20 HBGD Cc1ccccc1NCCC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 766640642 VCNUPOSJAIUTQW-UHFFFAOYSA-N 413.438 -0.608 50 20 HBGD Cc1ccccc1CC(=O)NNC(=O)CN1CCN(C(=O)C(=O)NC2CC2)CC1 766853032 FXJVLHGZDWNPLI-UHFFFAOYSA-N 401.467 -0.892 50 20 HBGD CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 770541474 DEKMVOZEKWDPCE-ZDUSSCGKSA-N 412.516 -0.196 50 20 HBGD COC(=O)Cn1ncc(NC(=O)C(=O)NNC(=O)COc2ccc(C#N)cc2)c1C 796992451 SAZLJAGVSSDUCC-UHFFFAOYSA-N 414.378 -0.599 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(C(N)=O)cc1OCC(F)F 810301963 KALSETMCAFVLRK-ZETCQYMHSA-N 423.398 -0.480 50 20 HBGD Cc1ccc(C(=O)NNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)c(O)c1 918337144 DHUCGUKPPJFEDM-UHFFFAOYSA-N 400.395 -0.701 50 20 HBGD CNS(=O)(=O)N1CCC(C(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)CC1 1261213104 XJRLDSDPSNJNGW-UHFFFAOYSA-N 419.529 -0.444 50 20 HBGD CC[C@@H](Br)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](N)CN)C2 1781899952 DXLROTPUYWNBEZ-OQMKEHIESA-N 405.337 -0.040 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccccn3)[C@H]2C1 1785935016 ILMYWQMINRBLIV-OWQGQXMQSA-N 424.461 -0.013 50 20 HBGD Cc1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795734356 NLBDFLUZBXMADR-HGKCTWBKSA-N 409.251 -0.413 50 20 HBGD C[C@@H](Cn1cccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801009437 IFDAKGUACCAIJA-GGXPGOJBSA-N 420.514 -0.518 50 20 HBGD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2)n1cccn1 1801388380 PJQHNABZLNMFLY-ZXFNITATSA-N 406.487 -0.593 50 20 HBGD CN1CC(C(=O)N2CC[C@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2c2cccnc2)C1 1807373722 FALCMBOINMOROW-YLJYHZDGSA-N 422.294 -0.357 50 20 HBGD O=C([C@H](O)CCl)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)c1ccco1)CCO2 1829814493 SCHPZLUEOGKVAD-HACGYAERSA-N 402.831 -0.631 50 20 HBGD Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cc(O)n1 1830727752 CVLATZPMWQYYAO-KSSFIOAISA-N 413.858 -0.235 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnnn3C)CCO2)C1 1833237004 ZMBWKPUDGRVQBS-MLGOLLRUSA-N 401.851 -0.861 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn(C)cn3)CCO2)C1 1834450980 LENVNMOOBPQLDC-DYVFJYSZSA-N 400.863 -0.256 50 20 HBGD CC[S@](=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](Cl)COC)C2)C1 1837247321 XCZOBQNAOXKVHE-TWQKQJGESA-N 424.947 -0.145 50 20 HBGD Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)on1 1840183385 AFLUPPSWJQBQDL-LJQANCHMSA-N 423.470 -0.574 50 20 HBGD O=C(CN1C(=O)C=CC1=O)N1CCO[C@@]2(COCCN(C(=O)C(Cl)Cl)C2)C1 1840264060 HAMMOKBPHFMMKM-INIZCTEOSA-N 420.249 -0.829 50 20 HBGD COc1ccc([C@H](O)C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)cc1 1843012980 WKJLJRCUIQCWFD-IBGZPJMESA-N 424.262 -0.074 50 20 HBGD COCCCNC(=O)NNC(=O)Cn1cnc2c(c(Br)nn2C)c1=O 727102720 JSSZURIIDUBKNR-UHFFFAOYSA-N 416.236 -0.741 50 20 HBGD CC(C)N1CC[C@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1=O 734219308 RIWQOQAFHZROJR-AWEZNQCLSA-N 411.484 -0.110 50 20 HBGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1cn(C)c(=O)n(C)c1=O 735154776 MDEJFHVPAXYAEJ-UHFFFAOYSA-N 424.797 -0.636 50 20 HBGD C[C@H]1C[C@H](NC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C(=O)N1c1cnn(C)c1 743512414 VKTQLDCDWUVCOK-NHYWBVRUSA-N 424.425 -0.466 50 20 HBGD Cc1noc(C)c1S(=O)(=O)NC1(C(=O)NNC(=O)C(=O)NC(C)C)CCCC1 746103021 DOPCGUOQKSCZBI-UHFFFAOYSA-N 415.472 -0.445 50 20 HBGD C[C@@H]1CN(CCC(=O)NNC(=O)c2ccc(=O)n(-c3cnn(C)c3)c2)C[C@@H](C)O1 761040318 DTLBQNAMDNNQCP-ZIAGYGMSSA-N 402.455 -0.169 50 20 HBGD C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)Cc1ccccn1 763041646 GLQAKCMZVFCISE-NSHDSACASA-N 405.436 -0.763 50 20 HBGD COc1ncc(NC(=O)C(=O)NNC(=O)COc2ccc(F)cc2)cc1C(N)=O 763839328 JMVFVXCNKCOWKA-UHFFFAOYSA-N 405.342 -0.507 50 20 HBGD CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NNC(=O)[C@@H]1Cc2ccccc2O1 764154817 VDUMHKMXVVTNJN-ZDUSSCGKSA-N 401.379 -0.314 50 20 HBGD CC(C)Cn1ncc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1C(C)C 764227047 LTIBLFZWTBBKFI-LLVKDONJSA-N 416.504 -0.314 50 20 HBGD CCNS(=O)(=O)c1ccc(CNC(=O)NN[C@]2(C)CCS(=O)(=O)C2)cc1 764372920 FGTXCWGAUINHBC-OAHLLOKOSA-N 404.514 -0.134 50 20 HBGD CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NNC(=O)[C@@H]1COCCO1 768417426 NQTHIYDEIHOFOR-AAEUAGOBSA-N 402.448 -0.785 50 20 HBGD CS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cn1 794579129 QAFIEXXYZMXEMQ-ZDUSSCGKSA-N 413.433 -0.365 50 20 HBGD Cc1csc(CC(=O)NNC(=O)COC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)n1 815474582 XVOXVJPTEMRHPW-TXEJJXNPSA-N 420.447 -0.364 50 20 HBGD NC(=O)NCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](F)Br)C2 1783288696 XXOZPMKNOFFWSX-OLUVUFQESA-N 409.256 -0.141 50 20 HBGD Cc1cnc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)cn1 1783935871 GDSBSZJCCIRKST-LJQANCHMSA-N 404.471 -0.398 50 20 HBGD CC[C@H](C)[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1784558459 YGCGBBKJCWHJOF-SIBFUHKCSA-N 412.531 -0.254 50 20 HBGD Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(B(O)O)cc4)C[C@@H]32)c[nH]1 1787698576 XXXGFRYMLJXQGF-SNRMKQJTSA-N 411.267 -0.090 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cnn(C)c3)C[C@@H]21 1791293363 ZKCLBNFIGDWFMI-ULQDDVLXSA-N 420.514 -0.685 50 20 HBGD C/C(=C/C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21)C(=O)O 1792169421 OGXAPVUXUKHTMF-HWGCVREFSA-N 410.471 -0.630 50 20 HBGD CN(CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(O)O)NC(=O)NCc1ccccc1 1792899400 FSGIYQZJGHXXSS-MUJYYYPQSA-N 419.482 -0.719 50 20 HBGD O=C(/C=C/c1ccco1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1794138694 JBLVLEKLBMAUJX-XMYGOJHDSA-N 410.235 -0.124 50 20 HBGD CC(C)(NCCC#N)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796191256 PXBBHZAQBSHLHO-BCDXTJNWSA-N 412.299 -0.100 50 20 HBGD Cn1ccc(=O)cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798439769 DDFOCEVKGYCMTF-BTTYYORXSA-N 424.461 -0.051 50 20 HBGD CN(C)NC(=O)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCN1C(=O)C=CC1=O)C2 1802333923 DSEQIFLNJBPNBT-QDMKHBRRSA-N 419.482 -0.687 50 20 HBGD CCNC(=O)N[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCC(=O)NN(C)C 1802337151 HRIAGBVWJHSBQV-APIJFGDWSA-N 410.519 -0.295 50 20 HBGD O=C(CN(CCO)CCO)Nc1cc([C@H]2CCCCN2C(=O)[C@H](O)CCl)[nH]n1 1822022426 FAYPDFGZWVWMRH-ZIAGYGMSSA-N 417.894 -0.712 50 20 HBGD COc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)n1 1830726452 YQYPHMLWLHQNPA-RDTXWAMCSA-N 413.858 -0.240 50 20 HBGD CC[C@H](C)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1831051368 ZFMVEFOAIODKSH-KKSFZXQISA-N 418.299 -0.127 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cocn1)CCO2 1834511523 HCLXCGDHYWHRQP-GOSISDBHSA-N 409.443 -0.882 50 20 HBGD C[C@H](CS(C)(=O)=O)C(=O)N1CC2(CCCN2C(=O)CCC(=O)NN(C)C)C1 1846384064 YZWUOWZCSRHNCF-CYBMUJFWSA-N 402.517 -0.757 50 20 HBGD CC(C)NC(=O)C(=O)NNS(=O)(=O)c1cc(C(=O)O)ccc1Br 13031667 MOXSHTKJSMRYKA-UHFFFAOYSA-N 408.230 -0.019 50 20 HBGD O=C(CCn1[nH]c(=O)c2ccccc2c1=O)NNC(=O)c1ccc(-n2cnnn2)cc1 104870818 GATDXBOXQUTCBL-UHFFFAOYSA-N 420.389 -0.483 50 20 HBGD COc1cccc(NCC(=O)NNC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1 743295357 JZQCKZCBPJGWCU-KFZJALRRSA-N 402.407 -0.583 50 20 HBGD CC(=O)Nc1cncc(C(=O)NNC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)c1 746310576 SSDDYJYCEPWUSK-UHFFFAOYSA-N 411.378 -0.940 50 20 HBGD O=C(Cc1cn2ccccc2n1)NNC(=O)NCCS(=O)(=O)NCC1CCC1 746761723 SZDIGZCGSGCSDJ-UHFFFAOYSA-N 408.484 -0.073 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ccc3nnc(O)n3c2)cc1 762680804 ISQKNLKPIMRBKV-UHFFFAOYSA-N 418.435 -0.175 50 20 HBGD COc1cc(N2CCN(CC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)CC2)ncn1 763941093 OLLHSFWGONDECU-UHFFFAOYSA-N 415.410 -0.023 50 20 HBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(Br)cc1 763995933 AWLWJOZPYZGQBY-QMMMGPOBSA-N 404.242 -0.030 50 20 HBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 764204324 QXGNFGIIGQCRFE-UHFFFAOYSA-N 406.468 -0.220 50 20 HBGD N#Cc1cccc(C(=O)NNC(=O)CN2CCC(N3CCS(=O)(=O)CC3)CC2)c1 766871498 OOZQXYDTORCKJP-UHFFFAOYSA-N 419.507 -0.486 50 20 HBGD COc1ccc(S(=O)(=O)NNC(=O)CNC(=O)c2ccco2)cc1CC(=O)O 774616739 UWDMJJKAIUDRNJ-UHFFFAOYSA-N 411.392 -0.345 50 20 HBGD Cc1cc(C)c(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c(C)c1CC(=O)O 782250562 BBAVAOOBFKUGMA-LLVKDONJSA-N 421.497 -0.514 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc3c(c2)CCC=C3)n(C)c1=O 791053417 JDBYRMKXSSAHDS-UHFFFAOYSA-N 408.418 -0.146 50 20 HBGD Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NNC(=O)NCC(F)(F)F 798316930 YQVOVOMCUVUJSD-SSDOTTSWSA-N 400.383 -0.404 50 20 HBGD Cc1noc(C)c1S(=O)(=O)NCC(=O)NNC(=O)CNC(=O)OC(C)(C)C 810944357 RKHGGYLURYGHRE-UHFFFAOYSA-N 405.433 -0.758 50 20 HBGD CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2ccccn2)cc1 912770504 QUMGULUUMNOELC-UHFFFAOYSA-N 406.420 -0.002 50 20 HBGD O=C(NNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)c1ccc([N+](=O)[O-])cc1 914831961 XKNOABRCUVKNGL-WCQYABFASA-N 410.408 -0.609 50 20 HBGD Cn1c(=O)c2cc(C(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)n(C)c2n(C)c1=O 919686493 SEMCOAXHMNQJDZ-UHFFFAOYSA-N 400.351 -0.441 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nc[nH]n2)C1 1777774661 FIVDBUOWXQUTKV-FZKQIMNGSA-N 407.475 -0.695 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)C(=O)C3CC3)CCO2)C1 1779028637 GEGRJXAJDAVGEI-LJQANCHMSA-N 401.423 -0.892 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1784117651 BXKHQNJYFHEWNX-IRXDYDNUSA-N 418.277 -0.022 50 20 HBGD C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1)C(F)(F)F 1795741428 WVYZDGLUTBGCFO-AGGWBTHJSA-N 412.173 -0.312 50 20 HBGD O=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](F)Br)CCN1 1799351872 DBAAEDYCBFEABH-VKISENBKSA-N 406.252 -0.207 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)cn1)C2 1801013401 SOEMEDVBNUFGMD-VTEUUUEMSA-N 421.473 -0.274 50 20 HBGD O=C(Cn1cncn1)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809977819 JFBYABFIMKKVPC-UHFFFAOYSA-N 411.271 -0.497 50 20 HBGD C[C@@H](CN)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc(B(O)O)c1)CC2 1814741376 HOKHYHFRHCLZCM-GXFFZTMASA-N 402.285 -0.357 50 20 HBGD O=C1NC(=O)[C@H](CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@H](O)CCl)n[nH]2)N1 1814868172 WUUCKLLDUSJKAX-HBNTYKKESA-N 412.834 -0.400 50 20 HBGD C[C@H](CN)C(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815339445 FZNWOIZHCWDBOQ-ZWNOBZJWSA-N 402.285 -0.357 50 20 HBGD CC(=O)NCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1825161300 DJUZZBWEPZIBMM-ZDUSSCGKSA-N 416.268 -0.815 50 20 HBGD C[C@@H](C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1)n1cnnn1 1833313188 YWTKLWIVVFEQGV-SWLSCSKDSA-N 413.910 -0.595 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(=O)oc3)CCO2)C1 1834597257 AJKQVHKWMMSRKJ-RDTXWAMCSA-N 414.842 -0.036 50 20 HBGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2 1835316980 WOVNCTMTTNCWQR-XHBSWPGZSA-N 418.288 -0.495 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc[nH]n3)C2)C1 1840155521 DVBJTTCBQYFSCF-YOEHRIQHSA-N 400.863 -0.338 50 20 HBGD CC[C@@H](Br)C(=O)N1CCCC12CN(C(=O)CN1C(=O)CNC1=O)C2 1846068767 LWHCSXLEVHRTGG-SNVBAGLBSA-N 401.261 -0.085 50 20 HBGD COCCCn1c(S)nc2cc(C(=O)NNC(=O)c3cnn[nH]3)ccc2c1=O 729456524 QFIJSMPIHFSFMJ-UHFFFAOYSA-N 403.424 -0.085 50 20 HBGD CC[C@H]1CN(CC(=O)NNC(=O)C2CC2)[C@H](CC)CN1CC(=O)NNC(=O)C1CC1 740878378 BZGOWUQVIHXPLN-IYBDPMFKSA-N 422.530 -0.724 50 20 HBGD Cn1cnc(S(=O)(=O)NCC(=O)NNc2ccc(S(=O)(=O)C(F)F)cc2)c1 748610104 BJLKDXXHAKHCPL-UHFFFAOYSA-N 423.423 -0.162 50 20 HBGD Cc1cc(C)cc(OCC(=O)NNC(=O)C(=O)Nc2cnn(CC(=O)N(C)C)c2)c1 763647356 MCGJRAGOEQIQRC-UHFFFAOYSA-N 416.438 -0.247 50 20 HBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O 764211230 KFUIJKWUFGFJAM-UHFFFAOYSA-N 420.875 -0.589 50 20 HBGD COc1cc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)ccc1N1CCCC1=O 764434924 SOCGODGAVQGHOG-CQSZACIVSA-N 406.395 -0.677 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)C(C)(C)C#N)CC2)cc1 766636220 NGQRJWBWUQEZDE-UHFFFAOYSA-N 407.496 -0.002 50 20 HBGD COC(=O)c1cccc(Cl)c1S(=O)(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 790046092 VYMAPUYYZNWALQ-QMMMGPOBSA-N 410.857 -0.129 50 20 HBGD CCNS(=O)(=O)CCNC(=O)NNC(=O)CNC(=O)OCc1ccccc1 792928527 JQYAHBYQUXHNDX-UHFFFAOYSA-N 401.445 -0.818 50 20 HBGD CN1CCN(C(=O)NNC(=O)CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 807378682 JRQSBMCWKCRGIN-CYBMUJFWSA-N 412.491 -0.510 50 20 HBGD COc1ccc(-c2cc(C(=O)NNC(=O)[C@H](CO)NC(=O)C(C)C)n[nH]2)cc1OC 813502761 WQQSXZIYBCRBDC-AWEZNQCLSA-N 419.438 -0.012 50 20 HBGD Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 915686020 HIEPNFPHIFUHHN-TZMCWYRMSA-N 410.431 -0.513 50 20 HBGD O=C(NNC(=O)c1cc(F)ccc1N1CCOCC1)N[C@@H]1CCS(=O)(=O)C1 1318312046 KSSRJWXIXSICDT-GFCCVEGCSA-N 400.432 -0.207 50 20 HBGD COC(=O)C(=O)NNC(=O)NCC(=O)Nc1ccc(I)cc1 1323069887 DHQKWKZTDFENSJ-UHFFFAOYSA-N 420.163 -0.267 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779137685 BOVXDDJDDGFBFY-JLDPKJTDSA-N 419.482 -0.099 50 20 HBGD CN(CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2)C(=O)C(=O)O 1782749526 HQAKYRFHZNUEPO-QMTHXVAHSA-N 424.223 -0.950 50 20 HBGD CN[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)Br)C2)C1)C(=O)O 1783531932 AHQIJHZMJWWJNX-UEKVPHQBSA-N 406.277 -0.338 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)CSCC(=O)OC)CCO2)C1 1783870980 KVDAQLFOCOKIBN-WBMJQRKESA-N 408.904 -0.024 50 20 HBGD O=C(CCc1ncc[nH]1)N1CC[C@]2(C1)CN(C(=O)c1ccc(B(O)O)cc1)CCO2 1784268701 ZPUZGOVRPKUDRK-FQEVSTJZSA-N 412.255 -0.834 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCC=CO3)C[C@@H]21)c1cccc(B(O)O)c1 1786984216 QWMKUOJAQZXXNS-KANFNMMFSA-N 414.267 -0.348 50 20 HBGD COCCOCCOCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCl 1792982580 JJNDYFSCZOWPBT-JYYAWHABSA-N 422.906 -0.755 50 20 HBGD O=C(/C=C/c1ccoc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1793922640 KBLBRXUQCXYIGC-IRCDVLGRSA-N 410.235 -0.124 50 20 HBGD C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795737660 HDZPWYJZZWNIKA-SCNOPHJPSA-N 402.256 -0.839 50 20 HBGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@](C)(O)CC(=O)O 1801007887 HAVOEQQPFHTRLE-MHVMWVFRSA-N 421.288 -0.025 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ncc[nH]1)C2 1801012179 LVZVAUXVWFCBKQ-HBCWATKFSA-N 406.487 -0.695 50 20 HBGD O=C1NC(=O)[C@H](CC(=O)N2CC[C@H](CNC(=O)[C@@H](O)CCl)[C@H]2c2cccnc2)N1 1803135433 CLVQTRKCUFQKPK-UKTARXLSSA-N 423.857 -0.715 50 20 HBGD N=C1NCCN1CC(=O)N1CC[C@H](CNC(=O)[C@H](O)CCl)[C@H]1c1cccnc1 1803138996 QNNDPTCNIVHTBG-IIAWOOMASA-N 408.890 -0.473 50 20 HBGD CNC(=O)CC(=O)N1CC[C@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807363301 CVDYFQDADRVGAL-UZLBHIALSA-N 424.266 -0.783 50 20 HBGD Cn1cnc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3ccc(B(O)O)cc3)[nH]n2)n1 1816319871 QGKDWANACLYGBG-HNNXBMFYSA-N 423.242 -0.162 50 20 HBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ncn(C)n1)CC2 1826080762 XCNGIOQKYWHAKR-JTQLQIEISA-N 420.499 -0.130 50 20 HBGD O=C(COCCO)N1CCC([C@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)CC1 1827056478 JEKUWNGTXJUYKE-LJQANCHMSA-N 418.299 -0.391 50 20 HBGD O=C(CCc1cn[nH]c1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1832933502 HFJWZAMSIIJIDN-RHSMWYFYSA-N 400.863 -0.602 50 20 HBGD C[C@@H](CC(N)=O)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833306652 VRDOLPBFQZOQOO-WFASDCNBSA-N 402.923 -0.331 50 20 HBGD CCc1oncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1834514424 ZTQXIKGXIZTDSS-GUYCJALGSA-N 401.847 -0.093 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)c3ccco3)C2)C1 1835935201 GYCHGIMUQAVUEW-FQEVSTJZSA-N 414.223 -0.657 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc(C)cn3)CCO2)C1 1836202048 HYPKBAPLURRJGO-MAUKXSAKSA-N 414.890 -0.098 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1837363058 BIMRURWUGRSPOR-HOTGVXAUSA-N 421.281 -0.445 50 20 HBGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCO2 1837520531 BJVRRHGQPOWLBI-YXJHDRRASA-N 419.906 -0.889 50 20 HBGD C=CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](Cl)COC)C2)C1 1837702398 AFCRKLSLTXMMTB-QWQRMKEZSA-N 417.890 -0.613 50 20 HBGD CCOC(=O)O[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1845788032 XSTVPIULVRMTHD-ZDUSSCGKSA-N 404.228 -0.255 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)[C@@H]1CC[C@H]3CCC(=O)N3C1)C2 1846385589 XAPZVMREQOBCIV-CVEARBPZSA-N 419.526 -0.036 50 20 HBGD COC(=O)c1cc(OC)c(S(=O)(=O)NNC(=O)CNC(=O)c2ccco2)s1 749010681 IGEQTECLPPOMDZ-UHFFFAOYSA-N 417.421 -0.124 50 20 HBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=S)NC[C@@H]1CCOC1 749733463 KIWYJZILVOULKK-HNNXBMFYSA-N 405.524 -0.024 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCN(c2cccc(Cl)c2)C1=O 758036613 SQFVEKBRUAGHGF-SKDRFNHKSA-N 402.860 -0.222 50 20 HBGD C#CCNS(=O)(=O)c1cccc(C(=O)NNc2nccc(N3CCOCC3)n2)c1 762856958 PGKPYNNHWIWJKG-UHFFFAOYSA-N 416.463 -0.018 50 20 HBGD COc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(-n2cnnn2)cc1 763663579 WDKJQHBVEQPEEH-UHFFFAOYSA-N 411.378 -0.164 50 20 HBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccccc1Br 764001672 BTVRCYBTLBGKQB-MRVPVSSYSA-N 404.242 -0.030 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1F 764227894 SLUYPYYTAFQYGW-LURJTMIESA-N 414.337 -0.132 50 20 HBGD Cc1ccc(-c2ncco2)cc1NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 764233368 WDZPJLJTWXCIPB-SNVBAGLBSA-N 409.424 -0.326 50 20 HBGD CCOC(=O)Cn1ccc2cc(NC(=O)C(=O)NNC(=O)[C@@H]3COCCO3)ccc21 764427307 YWJCGSVMCYCXSZ-HNNXBMFYSA-N 418.406 -0.294 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Nc2ccc(Cl)cn2)n(C)c1=O 765313490 RCFOXFYMWHSERR-UHFFFAOYSA-N 406.790 -0.665 50 20 HBGD CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 770494063 HKKADXADQIKDNO-LBPRGKRZSA-N 405.498 -0.185 50 20 HBGD CC(C)[C@@H]1C[C@@H](CC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CCO1 781709305 IHVPHXMJAXTYGQ-STQMWFEESA-N 420.470 -0.578 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F 783828569 OWLRFGDZYRUKPF-GSVOUGTGSA-N 411.330 -0.371 50 20 HBGD CC(=O)N1CCCC[C@H]1C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 802762871 OQYZFRFIYCVFOL-SFHVURJKSA-N 415.494 -0.007 50 20 HBGD COc1cnc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)nc1 814698376 BXJLGYDSRHITSP-UHFFFAOYSA-N 421.435 -0.419 50 20 HBGD O=C(NNS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)c1ccc2c(c1)OCCO2 913552957 BICBRDBKPXZZQP-UHFFFAOYSA-N 418.387 -0.389 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NNC(=O)CS(C)(=O)=O)C2)cc1 919683392 ZXSMSXBYLMWYPC-ZDUSSCGKSA-N 417.509 -0.412 50 20 HBGD COc1ccccc1CC(=O)NNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 919822260 JHBKJIBSHBNGLZ-ZIAGYGMSSA-N 409.464 -0.579 50 20 HBGD Cc1csc(CC(=O)NNC(=O)CN2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1 1319582696 VXBWBVVRRJXBKL-KRWDZBQOSA-N 408.484 -0.548 50 20 HBGD CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NNC(=O)C1CC1 1337084407 PWXSXTNRAFOGNK-CYBMUJFWSA-N 403.482 -0.674 50 20 HBGD C=CC(=O)N[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)CCl)C2 1779527890 GWYHYAOZMVSUAQ-UHQDVWGKSA-N 401.891 -0.209 50 20 HBGD CC[C@@H](Br)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1781047565 CMCLHVXXNYUZFA-ZWUHOBOKSA-N 404.305 -0.287 50 20 HBGD O=C(c1cc(=O)n2[nH]nnc2n1)N1CCO[C@]2(CCN(C(=O)C(Cl)Cl)C2)C1 1783945403 MQSWJNPPDMISHG-AWEZNQCLSA-N 416.225 -0.940 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cnsn1 1785658642 WPMVBQHEINKBLY-NOLJZWGESA-N 416.268 -0.875 50 20 HBGD C[Si](C)(C)OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795734303 LWDHYQVIMAPRRA-JLVBRIDZSA-N 420.347 -0.579 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC[C@H](O)CC1)C2)c1ccc(B(O)O)cc1 1795736968 SHQFTAPITDJLIN-FDILRYLASA-N 416.283 -0.879 50 20 HBGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCOC1=O)C2 1800754228 JTQFDPOPFPRIOI-KQXIARHKSA-N 404.261 -0.188 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCC2(CCCN(C(=O)C(O)O)C2)CC1 1805276889 IVOVKPYASUWDCG-FYJGNVAPSA-N 405.455 -0.338 50 20 HBGD Cc1nnsc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830727841 HSAGRMPVZNXZQU-XHDPSFHLSA-N 404.876 -0.484 50 20 HBGD Cn1ncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1Cl 1830732603 UHLNCYFZLHRAKD-WBMJQRKESA-N 421.281 -0.257 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3=CCCC3)C2)C1 1840183734 WIWRXNGLRIOAQZ-FQEVSTJZSA-N 408.499 -0.074 50 20 HBGD C[C@@](O)(C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1)C(F)(F)F 1843013247 YJQBDHLCNDWBTB-OAHLLOKOSA-N 400.162 -0.503 50 20 HBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)CCn2ccccc2=O)CC1 735117978 LJIMAAZCRLMCJS-UHFFFAOYSA-N 420.495 -0.287 50 20 HBGD O=C(NN=Cc1ccc(C=NNC(=O)C(=O)N2CCCC2)cc1)C(=O)N1CCCC1 748136486 KZQZITSPTDAMSR-UHFFFAOYSA-N 412.450 -0.168 50 20 HBGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2ccccc2-n2cnnn2)n1 760164899 VSYZCNVPTPBFPP-UHFFFAOYSA-N 401.408 -0.026 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCCc3ccn(C)n3)nc2)CC1 761010052 DUKOELRGZSUWRY-UHFFFAOYSA-N 422.515 -0.380 50 20 HBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)Cn2cc([C@H](C)O)nn2)c1 763012497 LYVKLMWJBOAVTC-LBPRGKRZSA-N 424.483 -0.177 50 20 HBGD C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NNC(=O)CNC(=O)c1cccnc1)C2=O 763825064 PNVCQWLCVFIFIO-CWTRNNRKSA-N 416.438 -0.541 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)C2(c3ccccc3F)CC2)n(C)c1=O 766637845 VQCJJPRGZAYRQB-UHFFFAOYSA-N 414.397 -0.548 50 20 HBGD O=C(NNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1)N1CCOCC1 775276134 QIOBXFRSLADFLF-UHFFFAOYSA-N 418.497 -0.294 50 20 HBGD CCn1nnnc1-c1cccc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)c1 784000312 VBZZZRULZUUEHM-UHFFFAOYSA-N 400.399 -0.932 50 20 HBGD CC(=O)N[C@](C)(C(=O)NNC(=O)c1cc(C)[nH]n1)c1ccc(S(C)(=O)=O)cc1 797749090 VYOWFGKCWJBDSS-KRWDZBQOSA-N 407.452 -0.066 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cccc(Br)c1F 799123130 OPHXOPUNGZMXFY-LURJTMIESA-N 418.266 -0.165 50 20 HBGD CN(C)S(=O)(=O)c1ccc(NNC(=O)CNS(=O)(=O)c2cccnc2)cc1 812730832 YMFTWUBTHICXEI-UHFFFAOYSA-N 413.481 -0.247 50 20 HBGD Cc1ccc(C(=O)NNC(=O)COC(=O)C2=NC=CN3CCS(=O)(=O)N=C23)cc1 844202277 XVRMLWFRZYORLM-UHFFFAOYSA-N 419.419 -0.731 50 20 HBGD Cn1nc(C(=O)NNC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c2ccccc2c1=O 933535186 WXVNOELIUCKCTA-KUDNYVPYSA-N 421.413 -0.498 50 20 HBGD COC[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779028270 BGOGBZGLJNLXQZ-BFUOFWGJSA-N 405.455 -0.589 50 20 HBGD CCS(=O)(=O)CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](F)Br)C2)C1 1781326651 ZRNKGIWHFQBQLU-WCQYABFASA-N 415.281 -0.059 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccncn1)C2 1782211879 DAFMFPWGPIIGNE-OXQOHEQNSA-N 418.498 -0.023 50 20 HBGD O=C1C[C@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H](O)CCl)C3)CCN1 1782267886 NLEHGPJPHRSSLM-KYZVSKTDSA-N 401.891 -0.374 50 20 HBGD C[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1)n1ccnc1 1783933091 CFASLBVMGFKPOP-KXBFYZLASA-N 406.487 -0.353 50 20 HBGD Cc1cc(CC(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)on1 1783933238 FIEMLQWSDQCZHX-IBGZPJMESA-N 407.471 -0.272 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4ncccn34)C[C@@H]21)[C@H](O)CCl 1784093474 WCHCMJWLXMNUFT-VIRABCJISA-N 407.858 -0.078 50 20 HBGD Cc1cn(CC(=O)N2CC[C@@]3(C2)CN(C(=O)C(Cl)Cl)CCO3)c(=O)nc1O 1785354865 UURBPOLZPKJZKL-MRXNPFEDSA-N 419.265 -0.109 50 20 HBGD Cc1ncccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984399 DFSPXCYYPNSCTA-VDGAXYAQSA-N 423.278 -0.023 50 20 HBGD CC(=O)Nc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CCl)n1 1792975053 IDNBBOBEAWYLHK-LMWOUKEDSA-N 410.858 -0.157 50 20 HBGD CCOC(=O)C1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)CC1 1801013293 ZZUTWUPMMOHDIP-XOIINTDNSA-N 424.498 -0.708 50 20 HBGD C[C@H](Cn1ccnc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1801376042 ZFKUVKOMIXPFNL-OAFZBRQQSA-N 420.514 -0.518 50 20 HBGD O=C(c1cnnc(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830726514 YZBMPDDYLOXPRZ-WBMJQRKESA-N 419.265 -0.200 50 20 HBGD CC(=O)c1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)n[nH]1 1830726536 ZCEAXJHRIPYDRV-WMLDXEAASA-N 414.846 -0.718 50 20 HBGD CNC(=O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@](C)(Cl)CCl)CCO2 1839150323 JFGITHZGIQBRDD-JKSUJKDBSA-N 410.298 -0.185 50 20 HBGD CCC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](Cl)COC)CCO2)C1 1840150943 UJOMIZWCITZAQU-GLJUWKHASA-N 419.906 -0.389 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCn3cncn3)C2)C1 1840155400 AQOPJYBQAPOYGJ-RHSMWYFYSA-N 415.878 -0.622 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2ccc(C(N)=O)cc2)C1 1846769501 GJIAUAFCSPLKKU-UHFFFAOYSA-N 422.445 -0.085 50 20 HBGD COC[C@H](C)CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 737065097 NYSRDCMPIGEUCI-CYBMUJFWSA-N 414.484 -0.066 50 20 HBGD CCCn1nc(C(=O)NNC(=O)C(C)(C)NS(C)(=O)=O)c2ccccc2c1=O 742035094 YPYMKZKFZPENLS-UHFFFAOYSA-N 409.468 -0.105 50 20 HBGD C[C@H](C(=O)NNC(=O)CNC(=O)c1cccs1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 744360631 DYRVDBIYHNIGJS-DRDKAZGBSA-N 420.447 -0.824 50 20 HBGD O=C(CC[S@@](=O)c1ccc2c(c1)OCCO2)NNC(=O)[C@@H]1CCS(=O)(=O)C1 746102367 ASRVCYDHGWTESK-RPHGYIDUSA-N 416.477 -0.462 50 20 HBGD O=C(NNC(=O)[C@H]1COc2ccccc2O1)C(=O)Nc1ccc(-n2nccn2)nc1 763577765 LDPATVQVFSGNAJ-CQSZACIVSA-N 409.362 -0.412 50 20 HBGD Cc1cc(C)n(CC(=O)NNC(=O)C(=O)Nc2ccc(CC(=O)N(C)C)cc2)n1 763893515 WMVQKKPOCDHICT-UHFFFAOYSA-N 400.439 -0.083 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)N1C[C@H]2CCCN2c2ccccc21 764226136 GDOKQJBJKDIGBK-VXGBXAGGSA-N 409.468 -0.913 50 20 HBGD Cc1cc(C)n(CC(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)n1 764566289 MJMDJMJQXJKUJN-ZDUSSCGKSA-N 404.452 -0.114 50 20 HBGD O=C(NNc1ccc(-n2ccnc2)nn1)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 804957420 JYUFZIVYWZVYBJ-CQSZACIVSA-N 400.443 -0.714 50 20 HBGD O=C(O)COc1ccc(S(=O)(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1 915185216 WUALZBDNHBNGSC-UHFFFAOYSA-N 418.391 -0.251 50 20 HBGD O=C(NC[C@H]1CCCCS1(=O)=O)NNC(=O)c1csc(N2CCOCC2)n1 1320319273 BVZKFVYOUADABF-LLVKDONJSA-N 417.513 -0.109 50 20 HBGD C[C@@H](CS(C)(=O)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21 1784513471 DWISBXBPFVBGOK-YHQUGGNUSA-N 410.920 -0.754 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)C(=O)c3cccn3C)C2)C1 1784610857 IYLUJMYYJJNZGX-HXUWFJFHSA-N 419.482 -0.589 50 20 HBGD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)n1ccnc1 1793141815 YHMZCEIYFOZDCA-SCNOPHJPSA-N 412.255 -0.973 50 20 HBGD CN(CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCBr)C(=O)C(=O)O 1795495034 QKEHEYJNLKIPSJ-JGPRNRPPSA-N 404.261 -0.047 50 20 HBGD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](O)CCl)C2 1798472972 FBNNHWGAMPOKEO-XLWJZTARSA-N 404.847 -0.281 50 20 HBGD CCCC(=O)N[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1798596241 FRCXCUBSVHJLFK-RUGDWHBFSA-N 415.299 -0.077 50 20 HBGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(C)C(=O)CC1)C2 1800756468 DJCNVPWNRANXJI-DYNIEEOBSA-N 415.288 -0.032 50 20 HBGD C[C@@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCS(C)(=O)=O 1801533197 XAGPKUKZZAQDKP-HNCHTBHHSA-N 411.318 -0.206 50 20 HBGD O=C(C[C@@H]1NC(=O)NC1=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](O)CCl)[nH]n1 1815765496 LNPFKDSIFNJCPP-GARJFASQSA-N 412.834 -0.400 50 20 HBGD O=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2)c1ccco1 1830726563 QSSRIZALZBVUKB-PXAZEXFGSA-N 400.815 -0.482 50 20 HBGD O=C(COc1cccnc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830726990 ZCJMYTVNYROPJK-MAUKXSAKSA-N 413.858 -0.484 50 20 HBGD O=C(CCc1ncc[nH]1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830736936 BYTUVGRORXUQNA-SUMWQHHRSA-N 400.863 -0.602 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(=O)oc3)CCO2)C1 1834597256 AJKQVHKWMMSRKJ-KSSFIOAISA-N 414.842 -0.036 50 20 HBGD O=C(CCBr)N1CCO[C@]2(COCCN(C(=O)c3cc(O)n[nH]3)C2)C1 1834822332 HWZWOEMRQXEKSS-OAHLLOKOSA-N 417.260 -0.030 50 20 HBGD CC(C)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCO2)C1 1835736843 XAUMPAQNPAPUPF-FZKQIMNGSA-N 418.922 -0.699 50 20 HBGD O=C(c1cnn2c1CCC2)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839530752 HQCIWXQWVYOVEL-QAPCUYQASA-N 412.874 -0.501 50 20 HBGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(=O)NC)C2)C1 1839962542 JMNAREWVRZWXCK-LRDDRELGSA-N 420.304 -0.248 50 20 HBGD CC(C)N1CCC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840581489 CVZFBLALLSHDQN-TXPKVOOTSA-N 417.934 -0.085 50 20 HBGD O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)NNC(=O)C(=O)NC1CC1 10214998 XFPHQOITHQUNGV-UHFFFAOYSA-N 408.480 -0.170 50 20 HBGD COC(=O)CCCNC(=S)NNC(=O)Cc1csc(N2CCOCC2)n1 18139023 FQSMEDCZFPTGCB-UHFFFAOYSA-N 401.514 -0.029 50 20 HBGD CN(C)N(C(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O)[C@@H]1CCS(=O)(=O)C1 728177801 KFSXWZMPVHAQDG-MRXNPFEDSA-N 420.491 -0.449 50 20 HBGD Cc1ccc(NCC(=O)NNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c(C)c1 728205462 JYWIDBBYBQETKR-CABCVRRESA-N 422.507 -0.102 50 20 HBGD CC(C)(C)OC(=O)NCCNC(=O)NNC(=O)Cc1ccc(S(N)(=O)=O)cc1 734241977 ZCDGVHDQXCUMGA-UHFFFAOYSA-N 415.472 -0.268 50 20 HBGD COCCNS(=O)(=O)c1c[nH]c(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)c1 741143932 AWPHGLWDNCWUBK-UHFFFAOYSA-N 424.435 -0.215 50 20 HBGD N#Cc1cccc(C(=O)NNC(=O)CN2CCN(c3ncccc3C(N)=O)CC2)c1 744395880 XTMCELSCDCPZMJ-UHFFFAOYSA-N 407.434 -0.365 50 20 HBGD O=C(CN1CCN(S(=O)(=O)Cc2ccon2)CC1)NNC(=O)c1cccs1 744414011 CLRDFZAKBNWYGV-UHFFFAOYSA-N 413.481 -0.355 50 20 HBGD C#CCOCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 753378186 FJHPGSDXEZBISN-UHFFFAOYSA-N 410.452 -0.699 50 20 HBGD C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 755067388 ZKTOEVLADRKRPU-WDEREUQCSA-N 406.457 -0.182 50 20 HBGD COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)NNC(=O)Cc2cc[nH]n2)C1=O 755283868 CHAVYEVQYOKHDH-LJQANCHMSA-N 414.422 -0.116 50 20 HBGD CCCOc1ccc(C(=O)NNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)cc1OC 763911929 SJPDFUZXOSTNKR-JTQLQIEISA-N 416.456 -0.962 50 20 HBGD N#C/C(=C\c1ccc(O)cc1)C(=O)OCC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 778129940 MNXSQSLYOKOMKU-WHGQRRHOSA-N 407.404 -0.145 50 20 HBGD Cc1cc(C)n(CC(=O)NNC(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)n1 794784072 SZRFTZFXXPGMJD-UHFFFAOYSA-N 405.440 -0.498 50 20 HBGD Cc1oc(S(N)(=O)=O)cc1C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 798316866 MJERBLFVYZNTLN-UHFFFAOYSA-N 405.392 -0.443 50 20 HBGD NS(=O)(=O)c1cccc2c(C(=O)NNC(=O)[C@@H]3CCc4nncn4C3)nccc12 816881857 QVWSGZUBJLSUCP-SNVBAGLBSA-N 415.435 -0.503 50 20 HBGD COc1ccccc1NCC(=O)NNC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 837301903 PLYACMYUUUSOIJ-UHFFFAOYSA-N 405.436 -0.248 50 20 HBGD O=C(CSc1nnnn1C1CCCC1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919889991 XXLYBPKCBFDQID-SECBINFHSA-N 403.490 -0.602 50 20 HBGD Cc1nn(CCC(=O)NNC(=O)C2CC2)c(C)c1CCC(=O)NNC(=O)C1CC1 1116510767 XSFQMGRXAYNWFU-UHFFFAOYSA-N 404.471 -0.063 50 20 HBGD CS(=O)(=O)CC[C@H](C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccccc1 1116847677 LEPJTPHHKOXBDO-KBPBESRZSA-N 402.494 -0.213 50 20 HBGD CC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779030624 DPCOFMUBDWWJAF-IBGZPJMESA-N 403.439 -0.502 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2(F)CC2)C1 1781615121 KMAOCJBWNLJJMR-VQIMIIECSA-N 404.247 -0.004 50 20 HBGD CCOC(=O)C1(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)CC1 1783937989 ZYIIPEUXIVHSEM-LJQANCHMSA-N 424.498 -0.467 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)[C@@H](O)CCl 1792974850 DLGUVFYZMVFJNW-KZVJFYERSA-N 420.743 -0.469 50 20 HBGD C[C@@H](Cn1cncn1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796191972 WTDODWRJLHBMHV-RUGDWHBFSA-N 411.271 -0.454 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Cl)ncn1)C2 1801011813 HDYRUXBLIOGNOJ-DPIQGUFMSA-N 424.889 -0.294 50 20 HBGD C[C@H](NC=O)C(=O)N1CC[C@H](CNC(=O)c2ccc(B(O)O)cc2)[C@H]1c1cccnc1 1807367157 QWPYSDPURPVFPG-POZUXBRTSA-N 424.266 -0.785 50 20 HBGD O=C(c1cc(O)ccc1O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830732781 AQIBDNMKMZLKIW-CRAIPNDOSA-N 414.842 -0.233 50 20 HBGD CN[C@@H](CC(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CCl)CC2)CC1)C(=O)O 1833309103 NNGIOVVKZYUJLT-LSDHHAIUSA-N 418.922 -0.780 50 20 HBGD CCOC(=O)/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1834769613 NXEWCAWZQPLYHL-QFTYUIFUSA-N 404.847 -0.838 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@@]2(COCCN(C(=O)C3CCCC3)C2)C1 1835935038 CPQMMLAZHFNSRC-OAQYLSRUSA-N 416.283 -0.373 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)CN1CCCC1=O)C2 1843415785 LWGSXRZIUXDUFP-HYARGMPZSA-N 414.466 -0.054 50 20 HBGD Cn1ncc(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)c1Cl 1844589466 FFLLRCQIJCMAHC-UHFFFAOYSA-N 402.647 -0.116 50 20 HBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 15639375 ZYSQUSDFLRICII-ZDUSSCGKSA-N 417.509 -0.087 50 20 HBGD COc1ccc(OCC(=O)NNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 732466466 OHRZWQZXUKVMSA-MSUUIHNZSA-N 403.395 -0.069 50 20 HBGD CS(=O)(=O)c1cccc(S(=O)(=O)NNC(=O)CNC(=O)c2cccs2)c1 751279471 KDKIFPVZKJPXJN-UHFFFAOYSA-N 417.490 -0.109 50 20 HBGD O=C(CNC(=O)c1cccs1)NNS(=O)(=O)c1cccc(-n2cnnn2)c1 751281792 HBQWPNWVUCMSCP-UHFFFAOYSA-N 407.437 -0.537 50 20 HBGD COc1ccc(NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1-n1nnnc1C 756321403 SVAPRQQZRSZBFL-MRVPVSSYSA-N 412.432 -0.930 50 20 HBGD CC1(C)C(=O)N(C[C@@](C)(O)C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c2ccccc21 760079351 KVLQYSBTXQXVDX-CWTRNNRKSA-N 423.491 -0.356 50 20 HBGD C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)Cc1ccc(F)cc1 762965080 ULOSKKJTKCAJIE-NSHDSACASA-N 422.438 -0.019 50 20 HBGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)ccc1-n1cnnn1 763573904 WIUCUNGSQCZWHS-INIZCTEOSA-N 423.389 -0.103 50 20 HBGD CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 764083493 JMHOPPYNWDILHC-LBPRGKRZSA-N 412.468 -0.161 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1Br 764229882 CYRIUVQRABSDFB-QMMMGPOBSA-N 421.273 -0.219 50 20 HBGD CCNC(=O)N(C)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 768493685 HZYRLKPBKWIRHR-UHFFFAOYSA-N 406.486 -0.438 50 20 HBGD CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NNc1ccc(S(=O)(=O)N(C)C)cc1 794717434 MTCROPMFQZNTFI-OAHLLOKOSA-N 411.484 -0.493 50 20 HBGD CCOC(=O)c1cc(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)ccc1C 795314517 MPWNKUXVUQKLEO-JTQLQIEISA-N 407.470 -0.581 50 20 HBGD O=C1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)N=c3cc[nH]cc3)c2)CCN1 802026773 KBPGBZMMIZZTNU-UHFFFAOYSA-N 418.435 -0.910 50 20 HBGD CN(C)S(=O)(=O)n1ccnc1C=NNC(=O)C(=O)NCc1ccc(Cl)cc1 814892468 USXOHEJKRREBAB-UHFFFAOYSA-N 412.859 -0.043 50 20 HBGD C[C@H]1CCS(=O)(=O)CCN1C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 1321967581 XZNSOVVXUZAGGI-ZDUSSCGKSA-N 410.500 -0.057 50 20 HBGD O=C(c1cc(=O)nc2cccnn12)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1780058269 UCZLUVNZUBQCIT-UGSOOPFHSA-N 421.841 -0.867 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)CCN3CCOC3=O)CCO2)C1 1783876564 YLVFVBCCOBZNEP-CXAGYDPISA-N 403.863 -0.088 50 20 HBGD C[C@H](C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1)n1cccc1 1784329598 MEXVJOALVCEROR-IIBYNOLFSA-N 411.267 -0.127 50 20 HBGD CCC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@H]2C1 1786884592 JUOXNLKFCHPEMW-AHDPXTMNSA-N 402.923 -0.034 50 20 HBGD CN1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1793004024 FQHINALEFGZUCA-NBMJBFSESA-N 415.299 -0.946 50 20 HBGD C[C@@](O)(CC(=O)O)CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796192315 ZKLXCVQWKFNUJD-QOIOWGMHSA-N 418.255 -0.766 50 20 HBGD Cc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(=O)NN(C)C)C3)C2)co1 1834213204 ICBAXOBRWDRSTH-IBGZPJMESA-N 423.470 -0.574 50 20 HBGD CCOc1cnc(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)cn1 1843010636 MWOFVIQGQFKVFY-UHFFFAOYSA-N 410.239 -0.314 50 20 HBGD COCCCn1c(S)nc2cc(C(=O)NNC(=O)C(=O)NC3CC3)ccc2c1=O 9890267 JHLBOEHNILHYFS-UHFFFAOYSA-N 419.463 -0.239 50 20 HBGD CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NNC(=O)c2cccnc2)c1 27634084 IAHXDYXYZRFVIT-UHFFFAOYSA-N 407.452 -0.265 50 20 HBGD Cn1c(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc2c(=O)n3ccccc3nc21 728384719 HUBANSHUAPYRTJ-JTQLQIEISA-N 403.420 -0.618 50 20 HBGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NCCCN2C(=O)CCC2=O)nc1 730068524 OMRDWYOKLGHKKW-UHFFFAOYSA-N 412.472 -0.067 50 20 HBGD CS(=O)(=O)CCN1CCC(NC(=O)NNC(=O)COc2ccc(C#N)cc2)CC1 731761400 JVQPPHATXQPCNS-UHFFFAOYSA-N 423.495 -0.224 50 20 HBGD CN1C[C@@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CC1=O 750652298 GWFQZEFOCFQBJZ-ZDUSSCGKSA-N 409.468 -0.354 50 20 HBGD Cc1cc(S(=O)(=O)NNC(=O)CNC(=O)c2ccco2)ccc1OCC(=O)O 751283173 UPXSGPSQZNEBIE-UHFFFAOYSA-N 411.392 -0.209 50 20 HBGD CN(C)S(=O)(=O)c1cccc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 755367802 UJTHSPFMJJNWEU-JTQLQIEISA-N 404.470 -0.476 50 20 HBGD COC(=O)COc1c(C)cc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1C 758041020 UOOXVLIQEXFJKK-NSHDSACASA-N 401.441 -0.446 50 20 HBGD CCOc1ccc(-n2ncc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c2C)nn1 758047188 VZFOYUMDEJBMFJ-SECBINFHSA-N 411.444 -0.932 50 20 HBGD CC1(C)C(=O)N(C[C@](C)(O)C(=O)NNC(=O)C(=O)N2CCCC2)c2ccccc21 760207130 ARSILEYMRMRQAE-FQEVSTJZSA-N 402.451 -0.168 50 20 HBGD C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNC(=O)CCNC(=O)OC(C)(C)C 760451282 SQAQFYAZDKPQJH-SNVBAGLBSA-N 418.476 -0.851 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2ccnn2C)cc1 763737995 RJGTXVDLPCYCCU-UHFFFAOYSA-N 408.440 -0.865 50 20 HBGD CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)CNC(=O)c2cccnc2)cc1 763818415 LMZKEGYFSGDHAW-UHFFFAOYSA-N 405.436 -0.477 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc2oc(C3CC3)nc2c1 764228170 VCOBNOJKPVGTRA-QMMMGPOBSA-N 409.424 -0.271 50 20 HBGD CCNC(=O)N1CCc2ccc(NC(=O)C(=O)NNC(=O)[C@@H](C)OCCOC)cc21 764398270 RBPBISDGOUUBTI-GFCCVEGCSA-N 421.454 -0.084 50 20 HBGD C[C@@]1(c2cccc(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)c2)NC(=O)NC1=O 769059637 LCOBKGRJMICBRE-IBGZPJMESA-N 420.389 -0.208 50 20 HBGD CCOC(=O)c1cnc(NNC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)nc1C 778424861 DWQQYFGAAIQPGU-AWEZNQCLSA-N 420.470 -0.414 50 20 HBGD CCOC(=O)/C=C/c1ccc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)cc1 783998822 HQVVKSBAXBIGHJ-JXMROGBWSA-N 402.407 -0.029 50 20 HBGD COCCn1ccc(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)n1 784293929 MXDQOMKWIDGWIA-UHFFFAOYSA-N 401.832 -0.095 50 20 HBGD COCCNC(=O)c1cccc(NC(=O)C(=O)NNC(=O)Cn2nc(C)cc2C)c1 806975201 QLYMPFXIZCZXCY-UHFFFAOYSA-N 416.438 -0.338 50 20 HBGD O=C(CN1C(=O)C(F)(F)Oc2ccccc21)NNC(=O)[C@@H]1CCS(=O)(=O)C1 814103076 WFECQJLXRGCPML-SECBINFHSA-N 403.363 -0.413 50 20 HBGD COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C(=O)NNC(=O)[C@H]1CCCO1 815780176 MKHRJSMXHAJFDI-OAHLLOKOSA-N 420.422 -0.425 50 20 HBGD COCCn1cc(C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)nn1 857431050 ATOPKBSDASOCSP-UHFFFAOYSA-N 401.471 -0.102 50 20 HBGD O=C(CN1CCN(C(=O)[C@@H]2CCCO2)CC1)NNC(=O)c1ccc([N+](=O)[O-])cc1 916147955 TWPVRIPRKSWZLG-HNNXBMFYSA-N 405.411 -0.321 50 20 HBGD CCN(C)[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cnccc3C(=O)NN)CCO2)C1 1782618645 SDWDRMYSXQUTIU-VLIAUNLRSA-N 418.498 -0.531 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(CN(C(=O)CCc3cnn(C)c3)CCO2)C1 1783933971 PPFNDHYTWRHCKZ-FQEVSTJZSA-N 420.514 -0.444 50 20 HBGD C=CCSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21 1785014615 SSJSWHPACHBDQS-SZMVWBNQSA-N 418.324 -0.121 50 20 HBGD COC(=O)C12CC(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)[C@H](O)CCl)C[C@@H]43)(C1)C2 1791013381 UCVKSLOPUQXEOX-DUGJLFPFSA-N 414.886 -0.091 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)ncn3)C[C@@H]21 1791287979 JMKBQLZVMHHNBC-YDHLFZDLSA-N 420.470 -0.852 50 20 HBGD C=CC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791291315 SGQFAASTXWTFCR-VGWMRTNUSA-N 423.514 -0.970 50 20 HBGD COC[C@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(Cl)Cl)[C@H]2C1 1791298467 ZRKMUOATFYCFTJ-CYDGBPFRSA-N 410.298 -0.079 50 20 HBGD COC[C@@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@](C)(Cl)CCl)C2 1797967893 BUYBSWMLLOKODW-QFRSUPTLSA-N 424.325 -0.037 50 20 HBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)N1CCN(C)CC1 1799186943 VUWQZLQHQKKEDV-NQNKBUKLSA-N 416.950 -0.534 50 20 HBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@](C)(O)CC(=O)O 1801007527 DQVDQPLOOXWJLD-MDVSLZIOSA-N 406.863 -0.554 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1cnccn1)C2 1801012100 CQXJMIAMKCGLFS-PQUZVILCSA-N 416.482 -0.548 50 20 HBGD O=C(NC[C@@H]1CCN(C(=O)Cn2ccncc2=O)[C@H]1c1cccnc1)[C@@H](O)CCl 1803147434 HSSBTXTXYRIGEZ-MPGHIAIKSA-N 419.869 -0.056 50 20 HBGD CNc1nsnc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830720378 YNSCFOJZAYOJIW-BMIGLBTASA-N 419.891 -0.751 50 20 HBGD Cc1nccn1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830735703 LYSMVNIYSKMHBF-YOEHRIQHSA-N 400.863 -0.752 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)Cn2cnnn2)CC1 1831871129 MEPXGPAPRGNVSD-INIZCTEOSA-N 420.518 -0.334 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)C3CCCC3)C2)C1 1835929504 RUZIFIVQCBXTFK-NRFANRHFSA-N 416.283 -0.373 50 20 HBGD CCCC(=O)N[C@H](C)C(=O)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014335 YHEQLVCVTYOSLN-CQSZACIVSA-N 401.272 -0.512 50 20 HBGD CC[C@H](Br)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1C(=O)CNC1=O 1848033944 IMALKIWNAOOEKD-DCAQKATOSA-N 401.261 -0.087 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1 17406969 XKLCDUAPZLFXBW-GFCCVEGCSA-N 403.482 -0.802 50 20 HBGD CN(C)C(=O)CN1CCC(NC(=O)NNC(=O)Cc2nc3ccccc3n2C)CC1 731762712 ZAYVNOJGOXPNPJ-UHFFFAOYSA-N 415.498 -0.001 50 20 HBGD COc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1OC 746387574 MIDVWMXMVKUHPO-HNNXBMFYSA-N 420.466 -0.355 50 20 HBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccccc1S(=O)(=O)N1CCCCC1 764203762 KFQQBUPDHOTBJC-UHFFFAOYSA-N 411.484 -0.491 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccccc1OC(C)(C)C 764231013 LLFJVYPTFBZDBU-JTQLQIEISA-N 400.457 -0.113 50 20 HBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1cccc(CN2CCN(C(C)=O)CC2)c1 784916977 FUZKXLQKQRIXTK-UHFFFAOYSA-N 404.471 -0.018 50 20 HBGD NC(=O)[C@@H]1CCC[C@H](C(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)C1 787834448 LTRNCESPZJFSSP-TYNCELHUSA-N 405.407 -0.191 50 20 HBGD Cc1cccc(C(=O)NNC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)n1 792962930 KOVSLCVVZBMYEA-UHFFFAOYSA-N 412.454 -0.137 50 20 HBGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1ccc2c(c1)OCC(=O)N2 794886311 IFLWRZVWJMQKIL-UHFFFAOYSA-N 418.435 -0.558 50 20 HBGD Cc1nc(C(F)(F)F)ccc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 802567465 VZHQJGNLXBRWSN-ZETCQYMHSA-N 411.362 -0.568 50 20 HBGD N#Cc1ccc(S(=O)(=O)NCC(=O)NNc2nccc(N3CCOCC3)n2)cc1 810559581 XUCBGHNWUNOZJP-UHFFFAOYSA-N 417.451 -0.394 50 20 HBGD Cn1cc(S(=O)(=O)NCC(=O)NNC(=O)c2cc(-c3ccccc3)[nH]n2)cn1 915638414 PVGVWPFVMBGCCN-UHFFFAOYSA-N 403.424 -0.450 50 20 HBGD C[C@@H]1CC[C@H](C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)O1 1778198598 KCRZCIPEFXPQIF-WIBUTAKZSA-N 402.256 -0.623 50 20 HBGD CC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@H]3NC(=O)NC3=O)[C@H]2C1 1785153663 WHHNBBLAUYVZIL-YYHQMBLXSA-N 400.863 -0.418 50 20 HBGD CC(=O)N(C)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1793992463 MVOCJYLYUVGNQS-BCDXTJNWSA-N 401.272 -0.513 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1cnccc1F 1795988455 REPRHXYXLBKBTC-ZSBFGKGUSA-N 413.214 -0.583 50 20 HBGD CN(C)c1ncc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)o1 1796190736 GDDURIGSVFFJET-MUJYYYPQSA-N 412.255 -0.014 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCn1ccnn1)C2)[C@H](F)Br 1799352417 WEEMZAZEBHFSSS-LFSVMHDDSA-N 404.240 -0.052 50 20 HBGD O=C(NC[C@@H]1CCN(C(=O)[C@H]2C[C@@H](O)C2)[C@H]1c1cccnc1)c1ccc(B(O)O)cc1 1807365181 WVGXUTCTRAKBCA-XEYPJELSSA-N 423.278 -0.148 50 20 HBGD C[C@@H](O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cnccc1C(=O)NN)CC2 1825621974 WGBRCDCLNBAUJY-RKDXNWHRSA-N 404.452 -0.252 50 20 HBGD CCOC(=O)/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830724985 KRQSPRZGPOMQMA-QFTYUIFUSA-N 404.847 -0.838 50 20 HBGD O=C(CCc1cnc[nH]1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830725194 GZODVYHISMQUBG-RHSMWYFYSA-N 400.863 -0.602 50 20 HBGD C[C@@H](CC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1833517277 GSHZEYOECVBEDT-WFASDCNBSA-N 402.923 -0.331 50 20 HBGD O=C(c1ncc(Cl)cn1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1833783351 RTWCQMBBCAEUFG-BLLLJJGKSA-N 419.265 -0.200 50 20 HBGD O=C([C@H](O)CCl)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)c1ccccc1)CCO2 1835295001 KXHVGVXUPULUMK-MDZRGWNJSA-N 412.870 -0.224 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(=S)NC)C2)C1 1839145526 LBWFINGGNLBYOP-CXAGYDPISA-N 420.963 -0.056 50 20 HBGD O=C([C@H](O)CCl)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CCO2 1840047850 JCBDWQQKGCUKMF-LSPIHWNJSA-N 402.875 -0.390 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(C)c3)C2)C1 1840151184 XJZWKRSTEUIPCA-PBHICJAKSA-N 400.863 -0.256 50 20 HBGD Cc1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)NN(C)C)CCO3)C2)co1 1840183629 QDQHYUSSOOKRNH-LJQANCHMSA-N 423.470 -0.574 50 20 HBGD COC(=O)[C@@H]1CC[C@H](C(=O)N2CC3(CCCN3C(=O)c3cccc(B(O)O)c3)C2)C1 1843012898 QRSIRCPIAWQIQQ-JKSUJKDBSA-N 414.267 -0.227 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC2(CCCN2C(=O)[C@@H]2CCCS2(=O)=O)C1 1845915175 FIHOJQJNSHGODG-ZDUSSCGKSA-N 400.501 -0.860 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)CCc1ccc(O)nn1)C2 1846385908 JXLJOKLSXBYVLA-UHFFFAOYSA-N 404.471 -0.309 50 20 HBGD O=C(NCCCN1CCCS1(=O)=O)NNC(=O)c1ccc(-n2cnnn2)cc1 726276840 OHLCTGFQOLFWID-UHFFFAOYSA-N 408.444 -0.968 50 20 HBGD NC(=O)c1ccc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)s1 728340982 UZLLAMLUMQEHOB-NSHDSACASA-N 405.388 -0.009 50 20 HBGD NC(=O)[C@@H]1CCCN(CCCNC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1 729494770 CFAKDBXBMWEQEH-CQSZACIVSA-N 415.458 -0.806 50 20 HBGD CCc1nc2ccccc2n1CC(=O)NNC(=O)CNS(=O)(=O)c1cn(C)cn1 756082192 ZIRVYZNLYMULKC-UHFFFAOYSA-N 419.467 -0.542 50 20 HBGD O=C(CNC(=O)c1cccnc1)NNC(=O)c1ccc(N2CCCS2(=O)=O)cc1 763813518 JRNQLGQQUQOXPG-UHFFFAOYSA-N 417.447 -0.188 50 20 HBGD CSCCc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1 764227358 NQOZPRODZINPIO-JTQLQIEISA-N 402.498 -0.384 50 20 HBGD COc1ccccc1-c1cc(C(=O)NNC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)n[nH]1 768275706 DTSYQFRDOSMRLF-LBPRGKRZSA-N 421.479 -0.035 50 20 HBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CCNS(=O)(=O)c1ccc(Cl)nc1 771920152 CUWXFEDYYZWAKS-VIFPVBQESA-N 406.848 -0.108 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1c(F)cccc1OC(F)(F)F 808089042 OOWVVCAHBFEBHF-ZCFIWIBFSA-N 423.366 -0.029 50 20 HBGD CN(C)N(C(=O)Cc1ccc(S(=O)(=O)CCO)cc1)[C@@H]1CCS(=O)(=O)C1 1324797481 IBTBZMPBGNDLFZ-CQSZACIVSA-N 404.510 -0.513 50 20 HBGD CC(=O)N1CCCc2ccc(S(=O)(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)cc21 1339272992 QLHCSGPJYYAXMG-CYBMUJFWSA-N 415.493 -0.270 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](COC)NC(C)=O)C2)C1 1779315999 ASDOFLGOOASDAD-JJRVBVJISA-N 405.879 -0.779 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)CN1CCCCC1=O)CCO2 1783937773 OIYKTRVXKZGFID-FQEVSTJZSA-N 423.514 -0.798 50 20 HBGD CNCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1786853424 NQUVZWPANKSQSW-JQFCIGGWSA-N 418.498 -0.722 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccnc3)C[C@@H]21 1791288536 BFUVXJUPEGTQLD-JYJNAYRXSA-N 406.487 -0.764 50 20 HBGD CN1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1793004171 QXJFUHGBLMVSDC-NBMJBFSESA-N 415.299 -0.946 50 20 HBGD Cc1cc(C(=O)NCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](F)Cl)C3)no1 1797828085 JQNCDEIPHXUYBM-RDBQEKCUSA-N 402.810 -0.163 50 20 HBGD CSCC[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1801031423 XFOWCPOFQMCAFL-LOUJCGABSA-N 416.544 -0.937 50 20 HBGD CC(=O)C(=O)NC[C@H]1CCN(C(=O)c2cnccc2C(=O)NN)[C@@H]1c1cccnc1 1806248286 MWXOJTXPOOTNPM-RHSMWYFYSA-N 410.434 -0.011 50 20 HBGD CNC(=O)CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1815142100 ZSWLOKDLFGRYQA-OAHLLOKOSA-N 413.243 -0.469 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H]3C=CCN3)sc2C1 1817006370 KORNCSLNMKILNO-YPMHNXCESA-N 406.512 -0.044 50 20 HBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](O)CCl)[nH]n1)c1ccc(B(O)O)cc1 1817470715 WUOKZKRYPFEMRK-GJZGRUSLSA-N 420.662 -0.005 50 20 HBGD O=C(CCBr)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830726094 ULPHLYURVRIYFC-BXUZGUMPSA-N 413.696 -0.173 50 20 HBGD NC(=O)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cccc(B(O)O)c2)CC1 1831405929 WVJQEINMXJXZIN-GOSISDBHSA-N 415.299 -0.135 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834760844 SPDDEZXAHGHLPG-KWJZBXMYSA-N 416.438 -0.510 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)n[nH]3)CCO2)C1 1835858758 JXRQFHILXOETPO-BZNIZROVSA-N 402.835 -0.561 50 20 HBGD CCC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCO2)C1 1839076508 JFXJTVQCRKBKPL-KRXQYRFLSA-N 403.907 -0.427 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)COCCO)CCO2)C1 1839194480 MIXYMAKWCIVRAU-HOTGVXAUSA-N 413.298 -0.312 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1C)CCO2 1839216296 MLNYONMQEKWQLU-DEYYWGMASA-N 417.890 -0.683 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CC2(CCCN2C(=O)[C@H](C)CC(N)=O)C1 1841656338 SPEQWCSPRCMSQL-IHYLXSPPSA-N 402.455 -0.165 50 20 HBGD C[C@@H](C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2)N1C[C@H]2C[C@H]2C1 1844190980 VOIDNOUMGXKGBL-SOUVJXGZSA-N 412.494 -0.158 50 20 HBGD Cn1nc(Br)c2c(=O)n(CC(=O)NNC(=O)CC(F)(F)F)cnc21 727163834 BGMRQNWQVXXRJC-UHFFFAOYSA-N 411.138 -0.008 50 20 HBGD CC(C)NC(=O)C(=O)NNS(=O)(=O)c1ccc(OCCCC(=O)O)c(F)c1 728170788 LJZQQYSNUKMFKW-UHFFFAOYSA-N 405.404 -0.097 50 20 HBGD Cc1ccnc(-c2cccc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c2)n1 764231816 QFJSFEZJRHCTEE-NSHDSACASA-N 420.451 -0.524 50 20 HBGD Cc1nc(CC(C)C)c(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)s1 764232151 RTOFNQDSLXBVJQ-QMMMGPOBSA-N 405.502 -0.326 50 20 HBGD COCc1cccc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 765722247 UXYVNJLGRNMQSR-UHFFFAOYSA-N 400.395 -0.959 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc(O)c(Cl)c2)n(C)c1=O 768292153 WUQYULNLYNMTNC-UHFFFAOYSA-N 406.786 -0.746 50 20 HBGD CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NNC(=O)N1CCOCC1 768946788 BTJYTRFAJPTXEF-ZDUSSCGKSA-N 401.464 -0.275 50 20 HBGD CCC(=O)NNC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 771895421 XOBYHFKHZXGXDT-GFCCVEGCSA-N 413.452 -0.190 50 20 HBGD O=C(N[C@@]1(C(=O)NNC(=O)C(=O)N2CCCC2)CCOC1)OCc1ccccc1 780921243 OALSXBYOTYQXAP-IBGZPJMESA-N 404.423 -0.158 50 20 HBGD Cc1cc(NC(=O)C(=O)NNC(=O)CNC(=O)OCc2ccccc2)cn(C)c1=O 797368972 KNHXDSXVNADQLK-UHFFFAOYSA-N 415.406 -0.294 50 20 HBGD COc1ccc(C(=O)NNC(=O)CN2CCC[C@H](n3cc(CO)nn3)C2)cc1OC 815142712 YLGQWNICXUQMAC-HNNXBMFYSA-N 418.454 -0.114 50 20 HBGD CCS(=O)(=O)NCCNC(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1 916516830 SFKQYLBGPMNKFL-UHFFFAOYSA-N 404.445 -0.404 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCOC1)CCO2 1779034152 OJRHLPXNIRGJQD-DJJJIMSYSA-N 403.439 -0.835 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)no2)C1 1779807267 PIRKTOQOBDZCPN-AUUYWEPGSA-N 423.470 -0.119 50 20 HBGD CCOC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)Br)C2)C1 1783534621 XEAFAQONYUGAOW-UEKVPHQBSA-N 422.276 -0.336 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)[C@H]1CC1(F)F 1788129571 OCNXEHUEDZNRDB-HNKHHVNMSA-N 408.210 -0.385 50 20 HBGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)NCC(C)C)C[C@@H]21 1791253946 FXMOSTYCGGZGET-XQLPTFJDSA-N 403.907 -0.008 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1cc2ncccn2n1 1796188919 AOHPKWJYCLDHEX-BJWYYQGGSA-N 419.250 -0.025 50 20 HBGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Cl)[C@H]1SC(=N)NC1=O 1796363703 YWSOISFXALQKBP-ALMWHKAHSA-N 406.867 -0.087 50 20 HBGD COCc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)c1 1798511214 GEWFBQCNPDRSGV-CCWDJLKJSA-N 421.498 -0.263 50 20 HBGD CC(C)n1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)n1 1830728890 YTACMECCDIAAPD-GUYCJALGSA-N 415.878 -0.471 50 20 HBGD O=C(c1cccc(F)n1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830732035 TVGYAXKLEJTVCX-CXAGYDPISA-N 401.822 -0.110 50 20 HBGD Cn1nncc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1833235397 MTKRMMJIDPOYRZ-BXUZGUMPSA-N 420.239 -0.424 50 20 HBGD C[C@@H](S)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834798821 BRXSOQFERVFQIQ-CQSZACIVSA-N 419.356 -0.130 50 20 HBGD Cc1nnc(CCC(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)s1 1843010648 OLOHETOGTFBTJF-UHFFFAOYSA-N 414.296 -0.024 50 20 HBGD CC(=O)N[C@H](C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(B(O)O)c1)C(C)(C)C 1847707368 LWVMOWZETYHGSN-OKZBNKHCSA-N 415.299 -0.267 50 20 HBGD COCCCNC(=O)NNC(=O)c1cc(S(=O)(=O)NCCOC)ccc1C 65207746 YOBRPUUDPYVUIT-UHFFFAOYSA-N 402.473 -0.100 50 20 HBGD O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NNC(=O)CNC(=O)c1cccs1 725901943 BOYHVRMBVOHQGT-UHFFFAOYSA-N 405.392 -0.037 50 20 HBGD COc1ccc(CN2C[C@@H](C(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2=O)cc1 726527236 AAPCJBIROGXCMN-UONOGXRCSA-N 424.479 -0.439 50 20 HBGD O=C(NCCS(=O)(=O)N1CCSCC1)NNc1ccc(-n2cccn2)nn1 730673468 XAGIUCITROEXBY-UHFFFAOYSA-N 412.501 -0.333 50 20 HBGD Cc1cc(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)ccc1S(N)(=O)=O 736542766 ACJAZDCMVVZWKH-UHFFFAOYSA-N 415.431 -0.036 50 20 HBGD O=C(CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NNC(=O)c1ccc2c(c1)OCCO2 742503150 TXEHACQMGXVDLR-CZPYZCIJSA-N 401.375 -0.619 50 20 HBGD C[C@H]1C[C@@H](NC(=O)NNC(=O)CNC(=O)c2cccs2)C(=O)N1c1cnn(C)c1 743578437 KWTGLEJDAAZMPX-CMPLNLGQSA-N 419.467 -0.264 50 20 HBGD COc1ccc(NC(=S)NNC(=O)CNS(=O)(=O)CCOC(C)C)cn1 748866192 CGIXVTITJNDPFB-UHFFFAOYSA-N 405.502 -0.248 50 20 HBGD Cn1cc(Br)cc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1=O 757597492 JGWNNTMGBPNNHY-ZETCQYMHSA-N 407.246 -0.265 50 20 HBGD COc1ccc(C(=O)NNC(=O)NCCNS(=O)(=O)NC(C)C)c(OC)c1 758993046 MQSDOGNWGDHDCY-UHFFFAOYSA-N 403.461 -0.520 50 20 HBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1 764210398 DGRKRFVAOGCXIU-UHFFFAOYSA-N 411.846 -0.540 50 20 HBGD COc1ccc(OC(C)C)c(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 764233275 UGJHMKMJYYVJOZ-JTQLQIEISA-N 416.456 -0.494 50 20 HBGD CCS(=O)(=O)c1ccc(Cl)cc1NC(=O)C(=O)NNC(=O)[C@@H]1COCCO1 764427355 YYAKKKIDFUCBAW-NSHDSACASA-N 419.843 -0.365 50 20 HBGD CCOCCS(=O)(=O)NCC(=O)NNc1c(OC)cccc1S(C)(=O)=O 768645958 VQMJIXWKWBDDGA-UHFFFAOYSA-N 409.486 -0.502 50 20 HBGD CN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)c2ccccc2)cn1 770450105 FZROUETZRYFKSF-UHFFFAOYSA-N 406.420 -0.050 50 20 HBGD Cn1ncc2c(O)nc(NNC(=O)CNC(=O)c3c[nH]c4ccccc4c3=O)nc21 770974261 KUILAXPWRLUYLK-UHFFFAOYSA-N 408.378 -0.217 50 20 HBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)[C@@H]2CCC[C@@H](C(N)=O)C2)CC1 788000648 IIDNXWVNPSTYPA-ZIAGYGMSSA-N 424.527 -0.248 50 20 HBGD CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)C1 789170599 HCUUQAXSKVGODJ-QWRGUYRKSA-N 402.473 -0.239 50 20 HBGD CC(=NNC(=O)C[C@H](C(=O)NN=C(C)c1ncc[nH]1)N1CCOCC1)c1ncc[nH]1 790167621 IKUMRHIFBHAADB-CQSZACIVSA-N 415.458 -0.396 50 20 HBGD CCOC(=O)CON=C(C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C)c1cc[nH]n1 792851505 XNYHNFMLTRPHKE-LLVKDONJSA-N 401.445 -0.814 50 20 HBGD CNC(=O)c1cc(Cl)cc(S(=O)(=O)NNC(=O)NCC(=O)OC)c1OC 795349271 YMHPRCZEIZVIFN-UHFFFAOYSA-N 408.820 -0.626 50 20 HBGD N#Cc1cccc(S(=O)(=O)NCC(=O)NNC(=O)Cc2cn3ccccc3n2)c1 810466902 YLCBTVMGAVOEKJ-UHFFFAOYSA-N 412.431 -0.126 50 20 HBGD Cc1cc(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)ccn1 1779515817 AQMDGMDVKXUXOO-OAQYLSRUSA-N 409.251 -0.173 50 20 HBGD Cc1noc(CC(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)n1 1783933863 JVYFTNQDQWLHQE-GOSISDBHSA-N 408.459 -0.877 50 20 HBGD C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)n1cncn1 1784484695 NVJNXVQFYOKMFS-KBXCAEBGSA-N 407.475 -0.958 50 20 HBGD CN[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CO[Si](C)(C)C)[C@H]2C1)C(=O)O 1788764082 JHVUOLMKLCHHSO-AJNGGQMLSA-N 415.563 -0.120 50 20 HBGD CC(=O)OC[C@H](OC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](O)CCl)C2 1798472969 FBNNHWGAMPOKEO-AICCOOGYSA-N 404.847 -0.281 50 20 HBGD O=C(NC[C@@H]1CCN(C(=O)CN(CCO)CCO)[C@H]1c1cccnc1)[C@@H](F)Cl 1808322462 TZPWMEXUNNKRTQ-BHYGNILZSA-N 416.881 -0.092 50 20 HBGD CC(C)(CCl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1830365990 JXNGXOWMODAAJB-UGSOOPFHSA-N 401.891 -0.156 50 20 HBGD CC(=O)O[C@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2)C(C)C 1830731184 IKNSZYJBXBKURE-RLFYNMQTSA-N 420.890 -0.370 50 20 HBGD O=C(Cc1ccc(F)cn1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1836027692 NXFOKHVAQYGBHH-QAPCUYQASA-N 415.849 -0.181 50 20 HBGD CCOC(=O)/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](Cl)COC)CCO2 1840150623 ONKVMMXZZBQADW-FHWYHTKLSA-N 418.874 -0.184 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CCO2 1840609710 QXGLITSLMQSDEB-CGSPGFDNSA-N 402.875 -0.411 50 20 HBGD C[C@](O)(CC(=O)O)CC(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1846381183 AKABZFLPHQHPPS-GOSISDBHSA-N 419.438 -0.882 50 20 HBGD CN1N=C(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CCC1=O 28196543 APGKANIXYOSAIK-UHFFFAOYSA-N 407.452 -0.160 50 20 HBGD C[C@H]1[C@@H](C)N(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CCS1(=O)=O 736385947 CZXXOATYKNXFIU-OLZOCXBDSA-N 410.500 -0.059 50 20 HBGD CN(C)S(=O)(=O)c1cc(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)co1 755414662 FXQNGCCWXUPOSL-UHFFFAOYSA-N 405.396 -0.420 50 20 HBGD COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)NNC(=O)[C@H]1COCCO1 755612082 LMASMLHLTNPVNZ-CQSZACIVSA-N 414.440 -0.296 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCN(c2cccc(Cl)c2)C1=O 758036603 SQFVEKBRUAGHGF-CABZTGNLSA-N 402.860 -0.222 50 20 HBGD COC(=O)c1cn([C@@H]2CCN(C(=O)NNC(=O)CNC(=O)c3ccco3)C2)nn1 760668371 HIHFVCRQSBJSCW-SNVBAGLBSA-N 405.371 -0.925 50 20 HBGD COc1ncc(NC(=O)C(=O)NNC(=O)COc2ccc(C)c(C)c2)cc1C(N)=O 763666468 FKWVXNWCGZSUHN-UHFFFAOYSA-N 415.406 -0.029 50 20 HBGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 767257733 NUKQVMOGMGMCCK-FQEVSTJZSA-N 416.434 -0.051 50 20 HBGD CC(C)(O)C(=O)NNC(=O)CNC(=O)c1ccccc1I 768246513 KJCUBJKZKGKIHC-UHFFFAOYSA-N 405.192 -0.061 50 20 HBGD CCNC(=O)N(C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N[C@H](C)COC)cc1 784914978 DGBVRDPYNMLPKN-LLVKDONJSA-N 415.472 -0.369 50 20 HBGD C=CCNC(=S)NNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 798305790 GSPDGIBSZVEIKD-YPMHNXCESA-N 402.473 -0.369 50 20 HBGD CCOC(C)(OCC)C(=O)NNC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 807371400 ICNFIVNUWUTTFB-UHFFFAOYSA-N 415.468 -0.068 50 20 HBGD COCCN1C(=O)c2ccc(C(=O)NNC(=O)c3ccncc3)cc2S1(=O)=O 916741108 XPNJLBUUCLTTPA-UHFFFAOYSA-N 404.404 -0.053 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C[C@H]2C=CS(=O)(=O)C2)cc1 1319035794 RMKSOXCXYNLHEV-CYBMUJFWSA-N 415.493 -0.289 50 20 HBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)c1cccnn1 1779651823 QHTPLPVEJJDXJG-WIYYLYMNSA-N 424.266 -0.402 50 20 HBGD C[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1)C1(O)CCC1 1783933312 UPMLLAHGRSEZIK-HNAYVOBHSA-N 410.515 -0.260 50 20 HBGD C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)n1cccn1 1784520565 UPOSTZNTXZAYDP-YWZLYKJASA-N 412.255 -0.732 50 20 HBGD C[C@@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CNC(=O)O3)[C@H]2C1 1784581418 LJFVYBLHQQROKI-DGORSVRFSA-N 404.261 -0.142 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(B(O)O)c3)C[C@@H]21)c1cncnc1 1786114354 SZMWYVGSCBNAGJ-WBAXXEDZSA-N 410.239 -0.937 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CC3(F)F)C[C@@H]21)c1cccc(B(O)O)c1 1786983017 LAAOGXRQMVHPDF-TUUVXOQKSA-N 408.210 -0.385 50 20 HBGD COCCn1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](Cl)COC)n1 1800977786 FTVIKIUBZRBHRG-HLPPOEQASA-N 414.890 -0.014 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2 1801012586 QYDBVSOVPPTWKR-RDBQEKCUSA-N 423.283 -0.361 50 20 HBGD O=C(CN1CCSCC1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1829705316 DYOQWJXSASDTLV-YOEHRIQHSA-N 421.947 -0.909 50 20 HBGD O=C1NC[C@@H](C(=O)N2CCC(N3CCC(NC(=O)[C@@H](O)CCl)CC3)CC2)O1 1833305916 DUZJGQGZNUBHTA-KBPBESRZSA-N 402.879 -0.734 50 20 HBGD C[C@H](C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1)n1cnnn1 1833313186 YWTKLWIVVFEQGV-DOMZBBRYSA-N 413.910 -0.595 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H](NC)C(=O)O)C2)C1 1839144338 VPKNYPDNXUXYST-GDZNZVCISA-N 405.879 -0.477 50 20 HBGD O=C(c1cnc2ncccn12)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011268 MFSXZDLOZKRXPE-UHFFFAOYSA-N 405.223 -0.460 50 20 HBGD C[C@@H](C(=O)NC1CC1)N1CCN(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1 28750438 IRGZJSMPZMFQFF-ZDUSSCGKSA-N 418.454 -0.360 50 20 HBGD O=C(COC(=O)CCCN1C(=O)CCC1=O)NNC(=O)[C@@H]1COc2ccccc2O1 728329110 RAOMLYQQCFWTAQ-AWEZNQCLSA-N 419.390 -0.554 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C1CCN(C(=O)CCc2ccccc2)CC1 729274741 BPGJIFZDKHTDFX-CQSZACIVSA-N 424.523 -0.057 50 20 HBGD CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NNC(=O)[C@@H]1COCCO1 744643464 VNTMACSVUQVLMP-ONGXEEELSA-N 416.412 -0.398 50 20 HBGD CC(=O)N1CCN(c2ccc(C(=O)NNC(=O)[C@@H]3COCCO3)cc2[N+](=O)[O-])CC1 744643551 PXJKZCVOBCRNOL-INIZCTEOSA-N 421.410 -0.560 50 20 HBGD Cc1nc(S(=O)(=O)NCC(=O)NNC(=O)CCNC(=O)OC(C)(C)C)cn1C 760432682 QGMZNDAOEJDCBV-UHFFFAOYSA-N 418.476 -0.931 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(=O)Nc2ccc(F)nc2)cc1 763734188 HJLWNQHJLTUUBC-UHFFFAOYSA-N 423.426 -0.064 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(N2CCCCC2)c1 764227868 SERNGBUOBXHGNL-GFCCVEGCSA-N 411.484 -0.300 50 20 HBGD Cc1cccc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1[N+](=O)[O-] 765726171 ZLRMRVIQMJSGHA-UHFFFAOYSA-N 415.366 -0.888 50 20 HBGD COC(=O)[C@@H](C)CS(=O)(=O)N1CCN(S(=O)(=O)CBr)CC1 767852421 ZYXIFHUFQIWQIB-VIFPVBQESA-N 407.308 -0.575 50 20 HBGD CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NNC(=O)COc1ccccc1O 786416828 KJVVSGWJRHNXSK-UHFFFAOYSA-N 405.367 -0.533 50 20 HBGD CCC[C@@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)S(N)(=O)=O 816810203 CZZVZCZLECUERT-LBPRGKRZSA-N 406.486 -0.845 50 20 HBGD C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NNC(=O)[C@H]1CCc2nncn2C1 816876178 PVYUDFRSRISGJP-AAEUAGOBSA-N 417.451 -0.773 50 20 HBGD CN(C)S(=O)(=O)N(C)CC(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1 816915650 GHYUPJFGFDUCHV-UHFFFAOYSA-N 405.502 -0.691 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)CS(C)(=O)=O)CCO2 1783871488 RXIHSALTGWXQBK-XEZPLFJOSA-N 410.920 -0.249 50 20 HBGD C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1)n1ccnn1 1783936153 DNYBVGLYCUYGPV-RDTXWAMCSA-N 407.475 -0.958 50 20 HBGD C[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1)n1cncn1 1783938337 WWYNZSLFYFOBAR-KBXCAEBGSA-N 407.475 -0.958 50 20 HBGD CCOC(=O)N[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](Cl)COC)C[C@@H]21 1788475403 KGFGKDBPPHONPJ-CXOVXGEYSA-N 421.878 -0.716 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCCCO1 1792563213 HDCONVCFLIIGNA-DLTLXFJOSA-N 417.466 -0.543 50 20 HBGD C[C@@H](CS(C)(=O)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCC(=O)NN(C)C)C2 1793599530 ULYOZPYUNLLJIE-XQLPTFJDSA-N 416.544 -0.322 50 20 HBGD CCn1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)n1 1801009443 ILJXMQAOJOGHEY-ZSBFGKGUSA-N 406.487 -0.521 50 20 HBGD C[C@@H](NC=O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817476834 DNVNFHYEQODYIP-MLGOLLRUSA-N 413.243 -0.470 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC(=O)NC3)C2)C1 1839141807 SYBPTOGIQRTTNP-SUNYJGFJSA-N 401.891 -0.014 50 20 HBGD CN[C@@H](CC(=O)N1CC2(CCCN2C(=O)/C(C)=N/NC(=O)c2ccc[nH]2)C1)C(=O)O 1843415866 WEJFGCXPUQEHIX-OFJBCHTGSA-N 418.454 -0.614 50 20 HBGD COC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cccc(B(O)O)c2)C1 1847554624 COGODWXOKFSFOT-MVJTYMMSSA-N 414.267 -0.229 50 20 HBGD CC(C)(O)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O 504015264 MPEBGWDAIIBXKN-HOCLYGCPSA-N 400.244 -0.525 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)NCc1cccnc1N1CCOCC1 725872058 JQVWIVONNVDWIE-UHFFFAOYSA-N 402.411 -0.228 50 20 HBGD CC(=O)c1cccc(S(=O)(=O)NCC(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)c1 728180135 XOELXVWVBNTXEM-CQSZACIVSA-N 417.509 -0.340 50 20 HBGD COc1cc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)ccc1OCC#N 730568762 AFZZFFXITPQDRM-UHFFFAOYSA-N 418.435 -0.368 50 20 HBGD CC1CCC(NS(=O)(=O)CC(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 731618305 YQZLPCXFDOZVOI-HTAVTVPLSA-N 410.518 -0.998 50 20 HBGD C[C@H](C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)N1CCN(c2ccc(F)cc2)CC1 732259621 SNCTWUNFMKIKOL-KGLIPLIRSA-N 412.487 -0.082 50 20 HBGD COc1ccc(Br)c(C(=O)NNC(=O)CN2C(=O)C(=O)N(C)C2=O)c1 733147503 QLXNWHVJLKBDEZ-UHFFFAOYSA-N 413.184 -0.361 50 20 HBGD Cc1[nH]c2ccnn2c(=O)c1CC(=O)NNC(=O)NCCNC(=O)OC(C)(C)C 734241745 JLZPVHDBGWXALS-UHFFFAOYSA-N 407.431 -0.271 50 20 HBGD CN1CC[C@@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C1=O 739064867 UZQHHZPLXXKNNC-CQSZACIVSA-N 409.468 -0.354 50 20 HBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@H]1CCCN(C(=O)COc2ccccc2)C1 741175453 LGOHFAVZKRAGMM-GJZGRUSLSA-N 423.491 -0.114 50 20 HBGD O=C(Cc1cn2ccccc2n1)NNC(=O)Cn1cc(Br)c(O)nc1=O 746641320 PGKHPLFJYBUBEN-UHFFFAOYSA-N 421.211 -0.251 50 20 HBGD NS(=O)(=O)c1ccc(Br)c(C(=O)NNC(=O)C(=O)N2CCCC2)c1 748246923 HHLOVUNXRXCFHW-UHFFFAOYSA-N 419.257 -0.520 50 20 HBGD CC(=O)NCCc1ccc(S(=O)(=O)NNC(=O)CNC(=O)c2ccco2)cc1 751282956 RWBUUCNHSYVMBE-UHFFFAOYSA-N 408.436 -0.302 50 20 HBGD Cc1c(C(=O)O)cc(Cl)cc1S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 763433986 LCBDAAXUKQOOOX-SSDOTTSWSA-N 413.861 -0.406 50 20 HBGD CCOC(=O)CCS(=O)(=O)N1CCN(S(=O)(=O)CBr)CC1 767851218 PHSMBOYXDWVBMF-UHFFFAOYSA-N 407.308 -0.431 50 20 HBGD COC(=O)CNC(=O)NNS(=O)(=O)c1sc(C(=O)O)cc1Br 779843753 CZBAJUOKNRZNQB-UHFFFAOYSA-N 416.231 -0.126 50 20 HBGD COc1ccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2cccs2)c(OC)n1 784004240 UZZKXQUOXNODFI-UHFFFAOYSA-N 407.408 -0.324 50 20 HBGD COC(=O)C[C@H]1CCC(=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)[C@H]1C 794525156 UDNJHRQDSOBUJP-WDEREUQCSA-N 404.427 -0.485 50 20 HBGD CN1CCN(CCCCNC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CC1 1318285784 FMXWOOCAXBOGEI-UHFFFAOYSA-N 401.475 -0.366 50 20 HBGD C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779029423 RZLMJBSRGDDRLH-JLTOFOAXSA-N 415.450 -0.833 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(=O)oc3)[C@H]2C1 1786280283 FSFVANUPCYJMAH-BPUTZDHNSA-N 420.466 -0.394 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCOCC3)C[C@@H]21)[C@@H](F)Br 1789922053 BAMHNAJFCOUAAC-PWNZVWSESA-N 422.295 -0.011 50 20 HBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1CCN(C)CC1 1795446464 SHHWFRIWZNVYAI-KYHPRHEASA-N 416.950 -0.533 50 20 HBGD Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)c(C)n1 1795740275 NCTNNJWQRLDZCJ-XEMDLRDOSA-N 423.278 -0.105 50 20 HBGD O=C(Cn1ccnn1)N1CCC2(CCCN(C(=O)c3ccc(B(O)O)cc3)C2)CC1 1809966711 KOISQQPLPDGBCX-UHFFFAOYSA-N 411.271 -0.497 50 20 HBGD CC(=O)NCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827053422 NQZKJPNSONOHNR-IBGZPJMESA-N 415.299 -0.264 50 20 HBGD CC(C)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1830365983 JXNGXOWMODAAJB-SCLBCKFNSA-N 401.891 -0.156 50 20 HBGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H](NC)C(=O)O)C2)C1 1831647778 YMVAGBOQZBBTKD-PMUMKWKESA-N 419.906 -0.087 50 20 HBGD CCOC(=O)N[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](Cl)CC)CCO2)C1 1839145284 CBTMWHXXGOAFOZ-PBFPGSCMSA-N 421.878 -0.475 50 20 HBGD CC(=O)NCC(C)(C)C(=O)N1CCCC12CN(C(=O)c1cccc(B(O)O)c1)C2 1841681023 NWZZPHISCHJLGU-UHFFFAOYSA-N 401.272 -0.654 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Cn2ccc3ccccc32)n(C)c1=O 729448292 ILPWIPKTOQRGST-UHFFFAOYSA-N 409.406 -0.764 50 20 HBGD Cn1cccc1C(=O)NNC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 746103169 IGLIAEYSZXPXCB-NSHDSACASA-N 405.436 -0.513 50 20 HBGD COc1cc(OC)cc(-n2nnnc2CN(C)C(=O)NNC(=O)[C@H]2COCCO2)c1 752019567 QJIYUIDNOYRUCQ-CQSZACIVSA-N 421.414 -0.733 50 20 HBGD CNC(=O)c1cc(S(=O)(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)cn1C 763439356 MJGJBSBVDLVEHF-UHFFFAOYSA-N 417.488 -0.001 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)[C@H]3CN4CCCN3CC4)cc2)CC1 764140739 XIGYWXGURGVCHL-GOSISDBHSA-N 422.555 -0.544 50 20 HBGD O=C(NNc1ccccc1S(=O)(=O)N1CCOCC1)[C@@H]1CN2CCCN1CC2 764463229 DNPNQGNKEXJCQD-INIZCTEOSA-N 409.512 -0.460 50 20 HBGD O=C(NNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)Nc1ccc2c(c1)OCO2 802099560 MFAWTFGFTGDHNY-CMPLNLGQSA-N 424.435 -0.396 50 20 HBGD O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)NNC(=O)CN1C(=O)CCC1=O 1123640417 RPWWKQJOQXPQGO-UHFFFAOYSA-N 421.885 -0.246 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)CCc3cnccn3)C2)C1 1784561751 ZAUWLZDQAXXXAB-FQEVSTJZSA-N 418.498 -0.388 50 20 HBGD CC(C)(C)OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(B(O)O)cc1 1795732694 ALIOGJLQJMWYBL-JLVBRIDZSA-N 404.272 -0.615 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cnccc1F 1795988178 KGJNEKUUKJGERS-ZSBFGKGUSA-N 413.214 -0.583 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncccc1F 1798303845 IVXKIXNQLKOYKO-FVCICTRLSA-N 407.446 -0.203 50 20 HBGD Nc1n[nH]c(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](F)Br)n1 1799349763 KKGBILFQBLOICX-IWXIMVSXSA-N 419.255 -0.400 50 20 HBGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ncccn3n1)C2 1800977899 HBYFRGHIEUJZLO-YVECIDJPSA-N 408.846 -0.419 50 20 HBGD NC(=O)[C@H](N)CCC(=O)N1CC[C@H](CNC(=O)[C@H](O)CCl)[C@@H]1c1cccnc1 1803138887 OYHVFIFGSNXQEM-KQTLUZQSSA-N 411.890 -0.720 50 20 HBGD O=C(NC[C@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)c1nc[nH]n1 1807865626 FYSWRIFBNADOHP-NVXWUHKLSA-N 420.238 -0.487 50 20 HBGD O=C(c1nccc2nc[nH]c12)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830729005 ZVZMZXZPHGDRGZ-SCLBCKFNSA-N 423.857 -0.372 50 20 HBGD NC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839202574 KCDSHUNOHCRIPD-JSGCOSHPSA-N 410.240 -0.601 50 20 HBGD CC[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)N(C)C)C2)C1 1839963230 FBMYUQHPJIQUMM-LRDDRELGSA-N 420.304 -0.296 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CN(C)C3)C2)C1 1840036086 DQTFVZBMSZIOLB-LRDDRELGSA-N 404.305 -0.212 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc(C)cn3)C2)C1 1840151435 BHEUZALIKYYWAZ-QAPCUYQASA-N 414.890 -0.098 50 20 HBGD CNc1nsnc1C(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2 1841051197 NCFJOXUIUVRTGU-UHFFFAOYSA-N 401.257 -0.610 50 20 HBGD O=C(c1cnc(Cl)nc1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843009899 VTVZNILAIIEXHH-UHFFFAOYSA-N 400.631 -0.059 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1CCCC12CN(C(=O)CN1CCNC1=N)C2 1843415719 FLNFJWHLWWLAHW-YDZHTSKRSA-N 414.470 -0.836 50 20 HBGD C[C@@H](Br)C(=O)N1CCCC12CN(C(=O)CN1CCS(=O)(=O)CC1)C2 1846175815 UHUPAAITGWSOFA-GFCCVEGCSA-N 422.345 -0.296 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)[C@H]1CC[C@H]3CCC(=O)N3C1)C2 1846385590 XAPZVMREQOBCIV-HOTGVXAUSA-N 419.526 -0.036 50 20 HBGD C[C@@H](CBr)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(=O)n2[nH]nnc2n1 1847498113 BRLITMHSBDOKGS-LSJOCFKGSA-N 424.259 -0.341 50 20 HBGD CC1=CC(NC(=O)c2ccco2)=S=C1C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 729275258 MUQXANUDFSECJR-SECBINFHSA-N 414.465 -0.910 50 20 HBGD CN(CC(=O)NNC(=O)c1ccccc1Cl)CC(=O)N[C@@H]1CCS(=O)(=O)C1 744388186 NWHGCNSABSCACA-LLVKDONJSA-N 416.887 -0.664 50 20 HBGD C[C@@H](O)[C@@H](NC(=O)C(C)(C)C)C(=O)OCC(=O)NNC(=O)c1ccc(C#N)cc1 745703831 RKAMMSGTRTVKSK-IAQYHMDHSA-N 404.423 -0.226 50 20 HBGD COc1ccc(C(=O)NNC(=O)CN2CCN(C(C)(C)C(N)=O)CC2)cc1OC 746489300 FQNXWMHVVRHKAQ-UHFFFAOYSA-N 407.471 -0.654 50 20 HBGD COC(=O)/C=C/c1ccc(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 747607695 BSUJVGSKRWWBKL-NTYUQYKDSA-N 417.465 -0.448 50 20 HBGD O=C(NNC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12)C(=O)N1CCCC1 748343712 ROQKUTJWNZHQPZ-UHFFFAOYSA-N 423.476 -0.319 50 20 HBGD Cc1ccnc2nc(C(=O)OCC(=O)NNC(=O)[C@H]3COc4ccccc4O3)nn12 756280436 XVLPLJVTXQNSED-CYBMUJFWSA-N 412.362 -0.423 50 20 HBGD Cc1csc(CC(=O)NNC(=O)COC(=O)c2csc(S(N)(=O)=O)c2)n1 760634785 UDMVLZQYCIAETK-UHFFFAOYSA-N 418.478 -0.293 50 20 HBGD Cc1cc(OC(C)C)ccc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 764226091 FQPBWKZJAVYLHV-NSHDSACASA-N 400.457 -0.194 50 20 HBGD O=C(CN1CCN(C(=O)c2ccccc2)CC1)NNC(=O)[C@@H]1CC(=O)N(C2CC2)C1 766635808 FQDOLRXHRCAELB-MRXNPFEDSA-N 413.478 -0.397 50 20 HBGD CN(C)C(=O)Cn1cc(C(=O)NNC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)nn1 768276506 IVWQPRFNQCVHRT-UHFFFAOYSA-N 400.374 -0.030 50 20 HBGD COCCCS(=O)(=O)NCC(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1 770658665 NQEQEEHZFFKHNR-UHFFFAOYSA-N 420.513 -0.474 50 20 HBGD O=C(CNC(=O)OCc1ccccc1)NNC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 794063363 NRBCBHVDIKFXOI-UHFFFAOYSA-N 411.374 -0.096 50 20 HBGD CN(C[C@H]1CCCN(CC(=O)NNC(=O)c2cccc(C#N)c2)C1)S(C)(=O)=O 796128638 ZJUDXBRFXPDKOT-OAHLLOKOSA-N 407.496 -0.077 50 20 HBGD CCOCC(=O)NNC(=O)C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 806980279 SAWBAQYGXBQGPD-QWHCGFSZSA-N 404.423 -0.794 50 20 HBGD CCC[C@@H](C(=O)NNC(=O)c1sc(N2CCOCC2)nc1C)S(N)(=O)=O 816828974 WUBJRYGKRVNXJF-JTQLQIEISA-N 405.502 -0.494 50 20 HBGD COc1ccc(S(=O)(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1C(N)=O 914746287 NRUULKRXJIETMQ-HNNXBMFYSA-N 407.404 -0.056 50 20 HBGD C[C@@H](Sc1nnnn1C1CC1)C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 918428704 NHMQAPBDUBHNOZ-SECBINFHSA-N 400.428 -0.075 50 20 HBGD C[C@@H](C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1 919886460 RRCKDNRJXBBQDB-ONGXEEELSA-N 407.445 -0.495 50 20 HBGD O=C(C[C@H]1CCS(=O)(=O)C1)N1CCN(S(=O)(=O)CBr)CC1 1116487106 PDYHGYVSEXYCBX-SNVBAGLBSA-N 403.320 -0.362 50 20 HBGD O=C(CNC(=O)c1ccccc1C(F)(F)F)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 1331973611 ZKSCOQMHASFXIZ-SECBINFHSA-N 422.385 -0.047 50 20 HBGD Cc1cn(CC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c2ccccc12 1333465969 NKKHYVOPECNPHF-UHFFFAOYSA-N 423.433 -0.456 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)CN3CCN(C)CC3)CCO2)C1 1783873992 AYUSCWKCRAOUDA-QAPCUYQASA-N 402.923 -0.683 50 20 HBGD O=C(CCN1C(=O)C=CC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Cl)C[C@@H]21 1784803341 HYWAHHWCTQSNPS-CENBSLRLSA-N 401.822 -0.184 50 20 HBGD CCC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H]1NC(=O)NC1=O 1793942519 ZXPWNMKFOFYDGD-XJGUIPMBSA-N 400.863 -0.418 50 20 HBGD CN(C)C(=O)C(=O)NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1806939212 KOVOZPSMTNBCPT-FUHWJXTLSA-N 424.266 -0.831 50 20 HBGD CC(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)CBr)CCO2 1830544217 QTDFZESQKMXMRK-BLLLJJGKSA-N 420.304 -0.390 50 20 HBGD NC(=O)[C@@H](N)CCC(=O)N1CCC(N2CCC(NC(=O)[C@@H](F)Cl)CC2)CC1 1835080033 GWIRJCQGYIFZDH-DZGCQCFKSA-N 405.902 -0.315 50 20 HBGD O=C(c1ccc(CO)o1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1837964316 CHIPJJPAFJADBW-CXAGYDPISA-N 402.831 -0.558 50 20 HBGD C[C@@H](Br)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncon3)CCO2)C1 1838319508 VSMAAJVNJUNVAF-YGRLFVJLSA-N 403.233 -0.077 50 20 HBGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)n[nH]3)C2)C1 1840031761 BRWDBDOMVTWRRO-BMIGLBTASA-N 417.260 -0.031 50 20 HBGD CS(=O)(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840190683 IGIVYXHWOUQVHM-AWEZNQCLSA-N 417.311 -0.319 50 20 HBGD O=C(Cc1ccc2ncnn2c1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011931 LCKFWSGQJVNHKS-UHFFFAOYSA-N 419.250 -0.531 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1cccnc1C(N)=O)C2 1844263799 WXXAXQOLXZYDGS-UHFFFAOYSA-N 423.433 -0.690 50 20 HBGD C[C@H](C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)S(C)(=O)=O 107528278 OTLMXWDCAJLISP-LLVKDONJSA-N 403.482 -0.335 50 20 HBGD Cc1nc2n(n1)C[C@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)CC2 727229032 LIQBJBNIVLCTOW-CYBMUJFWSA-N 421.483 -0.204 50 20 HBGD O=C(CCNS(=O)(=O)/C=C\c1ccccc1)NNC(=O)[C@H]1CCS(=O)(=O)C1 732308055 SEHINCRERYMQQH-JOHMGYAOSA-N 415.493 -0.451 50 20 HBGD COc1ccc(S(=O)(=O)NNC(=O)CNC(=O)c2ccco2)cc1C(=O)N(C)C 734415844 CHXSHBVRBPFTPI-UHFFFAOYSA-N 424.435 -0.271 50 20 HBGD COCCNS(=O)(=O)c1c[nH]c(C(=O)NNC(=O)c2ccc3c(c2)OCO3)c1 746092544 VYPAFSQYHFQOSV-UHFFFAOYSA-N 410.408 -0.257 50 20 HBGD COC(=O)c1ccc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1C(=O)OC 756816173 ABDBMORNGXAPTJ-SECBINFHSA-N 413.408 -0.153 50 20 HBGD CCc1onc(C)c1NC(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 757783052 QGMOTHPIVCEBPF-UHFFFAOYSA-N 404.387 -0.855 50 20 HBGD CSc1cccc(N2C[C@H](C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)CC2=O)c1 758035949 OPPREARLCYUXBI-WDEREUQCSA-N 414.509 -0.154 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1ccc(Cl)c(N2CCNC2=O)c1 758040052 NILIXVRPUVGQRI-MRVPVSSYSA-N 403.848 -0.432 50 20 HBGD NC(=O)[C@@H]1CC(C(=O)NNc2nccc(N3CCOCC3)n2)=NN1c1ccccc1 762848208 OPFZJALAMNLXTF-HNNXBMFYSA-N 410.438 -0.124 50 20 HBGD NC(=O)COc1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 763570591 GODBGQUYNGRUPW-OAHLLOKOSA-N 414.374 -0.523 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(F)cc1OC(F)F 764233435 WPRUTFJKGFRHKB-ZCFIWIBFSA-N 412.346 -0.549 50 20 HBGD COc1cc(OC)c(Cn2nccc2NC(=O)C(=O)NNC(=O)CO)c(OC)c1 764428230 DBOYYATTWJRBDS-UHFFFAOYSA-N 407.383 -0.965 50 20 HBGD CCOC1CC(CNC(=O)NNC(=O)CNC(=O)c2ccco2)(N2CCOCC2)C1 767800777 WRJBKNGCLUVTFO-UHFFFAOYSA-N 423.470 -0.390 50 20 HBGD Cn1ccnc1CN1CCC[C@@H](NC(=O)NNC(=O)CNC(=O)OC(C)(C)C)C1=O 783020170 MHQWFYFSYVWVQY-GFCCVEGCSA-N 423.474 -0.234 50 20 HBGD COc1ccc(OC)c(C2=NO[C@@H](C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)C2)c1 791476554 GMLIKFIQXXKVEP-ZUZCIYMTSA-N 411.436 -0.221 50 20 HBGD COC(=O)CNC(=O)NNS(=O)(=O)c1ccc(C(=O)O)cc1OC(F)(F)F 792699354 SLQQFUCSLLNCHI-UHFFFAOYSA-N 415.302 -0.051 50 20 HBGD Cn1c(NNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)nc2ccccc2c1=O 1318560589 MTZQDQWQVUTELA-NEPJUHHUSA-N 419.463 -0.588 50 20 HBGD COCc1ccc(OC)c(S(=O)(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)c1 1325850799 XPBKAGRYMYFPMZ-NSHDSACASA-N 407.470 -0.479 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccncn2)C1 1778159463 DBTKREFCIHZTDE-OXQOHEQNSA-N 418.498 -0.023 50 20 HBGD CNC(=S)NCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](Cl)COC)CCO2 1779042519 YLLAPKPOCYQXLD-LRDDRELGSA-N 406.936 -0.446 50 20 HBGD CCOC(=O)N[C@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)CCl)C2 1779197356 GMULPZFKAHCVDW-HSTIPLNKSA-N 421.878 -0.836 50 20 HBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(B(O)O)cc1)C2)[C@H]1C[C@H]1F 1780630157 LFVDERYERLVRAG-TVKQPGBESA-N 404.247 -0.148 50 20 HBGD C[C@H](Br)C(=O)N1CC[C@@]2(CN(C(=O)C[C@H]3NC(=O)NC3=O)CCO2)C1 1783528754 AAWXEWAWCLGAAA-FEUHOPSXSA-N 417.260 -0.802 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)N3CCN(C)CC3)CCO2)C1 1783879868 BIDPPKUAAXRTAB-FRQCXROJSA-N 416.950 -0.294 50 20 HBGD C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)n1cncn1 1784484699 NVJNXVQFYOKMFS-RDTXWAMCSA-N 407.475 -0.958 50 20 HBGD Cc1nccnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21 1789037745 TXSVOPBIAZOYEM-JYJNAYRXSA-N 418.498 -0.249 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccco1)C2)c1ccc(B(O)O)cc1 1795733028 YTCIGWZGNSURPK-CWPLJXCYSA-N 412.251 -0.205 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)c1ncccc1F 1798300990 REJPPLZIYKTGBU-XOIINTDNSA-N 413.214 -0.583 50 20 HBGD O=C(CN1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830722572 DKJMQMNKOCWHGN-QAPCUYQASA-N 403.907 -0.472 50 20 HBGD CCn1nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)cc1C 1830732608 ULYMKLFJNBOCED-CRAIPNDOSA-N 414.890 -0.119 50 20 HBGD Cn1nncc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1833235429 MTKRMMJIDPOYRZ-SMDDNHRTSA-N 420.239 -0.424 50 20 HBGD O=C(c1nc[nH]n1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839198694 ANUKFFGENHRVJD-NOZJJQNGSA-N 406.212 -0.435 50 20 HBGD C/C=C(/C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1839824954 CILCIYDJVSTFNZ-KCLYGTHZSA-N 417.466 -0.279 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN(C)C(C)=O)C2)C1 1840151313 YGDXCELIPHWHIV-QAPCUYQASA-N 419.906 -0.435 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](Cl)COC)CCO2 1840156290 PVXPHNNUTQJUAC-WOSRLPQWSA-N 413.298 -0.050 50 20 HBGD Cc1nn(C)c(C(=O)N2CCCC23CN(C(=O)c2cnccc2C(=O)NN)C3)c1F 1842299891 VGWGQGCLUFGQJG-UHFFFAOYSA-N 415.429 -0.003 50 20 HBGD COc1ccc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1OC 254383597 CMQRQAJIXOXQGA-UHFFFAOYSA-N 400.395 -0.399 50 20 HBGD COc1cc(C(=O)NNC(=S)NCCNS(C)(=O)=O)cc(OC)c1OC 727064530 HTYXLBYPQIVFFK-UHFFFAOYSA-N 406.486 -0.630 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(Br)s1 728510484 ZXYMZPQAVGXTTP-YFKPBYRVSA-N 406.305 -0.242 50 20 HBGD CC(C)Cn1nc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c2ccccc2c1=O 729276914 OGSLVZNQKQKVKX-LLVKDONJSA-N 409.468 -0.249 50 20 HBGD C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)c3cnn[nH]3)c2)C[C@@H](C)O1 729455538 KESVRZVTGDTKBL-GHMZBOCLSA-N 408.440 -0.323 50 20 HBGD CN1CC(=O)N(CC(=O)NNC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)C1=O 734822067 QYRSVNJBIVENBB-UHFFFAOYSA-N 412.447 -0.390 50 20 HBGD Cc1ccc(C(=O)NNC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)cc1 756745186 COSNDFWDQZDIGX-GFCCVEGCSA-N 423.451 -0.600 50 20 HBGD NC(=O)Cn1cc(NC(=O)C(=O)NNC(=O)CSc2ccc(Cl)cc2)cn1 763735578 LBAACCIJZSFPHK-UHFFFAOYSA-N 410.843 -0.100 50 20 HBGD CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 764083489 JMHOPPYNWDILHC-GFCCVEGCSA-N 412.468 -0.161 50 20 HBGD COC(=O)c1cc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)ccc1Cl 764229904 DSFJTNFMBXBLAL-ZETCQYMHSA-N 420.831 -0.850 50 20 HBGD Cc1cc(C)n([C@H](C)CC(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)n1 766645370 SZRKFZQUORXNNP-GFCCVEGCSA-N 416.442 -0.954 50 20 HBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 772315742 LPGUGTMKOZNECF-RYUDHWBXSA-N 414.459 -0.009 50 20 HBGD CN(C)CCOc1cccc(NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)c1 784003419 WINMNJARULFHMC-UHFFFAOYSA-N 417.422 -0.264 50 20 HBGD Cc1ccc(C(=O)NNC(=O)CN2CCCC2=O)cc1S(=O)(=O)N1CCOCC1 789856178 AJKUJXBVKYFNDK-UHFFFAOYSA-N 424.479 -0.601 50 20 HBGD C[C@H](C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)n1cnc(C#N)n1 798744159 QHJBLCPMSFEVJD-MFKMUULPSA-N 400.351 -0.759 50 20 HBGD COc1ccc(C(=O)N2CCC[C@H]2C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1 799101401 ZQRAHTUWIHGSND-RISCZKNCSA-N 412.468 -0.615 50 20 HBGD COCCN1C[C@@H](C(=O)OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1=O 800131864 MIHVMBXXYJUYNO-LBPRGKRZSA-N 408.367 -0.606 50 20 HBGD Cc1n[nH]cc1C(=O)NNC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 801153018 OASYPSYMOGIBGL-UHFFFAOYSA-N 411.415 -0.047 50 20 HBGD Cc1nc(S(=O)(=O)N2CCC(C(=O)NNC(=O)N=c3cc[nH]cc3)CC2)cn1C 802029659 SOVAURGMIVPASH-UHFFFAOYSA-N 421.483 -0.201 50 20 HBGD C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 804869092 SXNITVHGUMJHIS-CZUORRHYSA-N 400.443 -0.188 50 20 HBGD O=C1C[C@H](Cc2ccc(NC(=O)NNC(=O)[C@@H]3CCc4nncn4C3)cc2)C(=O)N1 814653020 PNELBIUFYWMMFT-OLZOCXBDSA-N 411.422 -0.101 50 20 HBGD Cn1cccc1C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 914464439 OFIDQDMUOOSFCZ-UHFFFAOYSA-N 405.436 -0.780 50 20 HBGD Nc1n[nH]c(CCC(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](F)Br)CCO3)n1 1778855203 QGPRYFICHNBGJZ-RISCZKNCSA-N 419.255 -0.160 50 20 HBGD COCCCC(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779028515 FUWITVCIKWSDCO-LJQANCHMSA-N 405.455 -0.445 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cncnc1)C2 1782210869 UJMGPZLYUCSBMP-OXQOHEQNSA-N 418.498 -0.023 50 20 HBGD CO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)/C(C)=N/NC(=O)c3ccc[nH]3)CCO2)C1 1783987245 LQZULCUTAHSKFR-LUMUPFKMSA-N 405.455 -0.015 50 20 HBGD O=C(Cn1cnnn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCBr)C[C@@H]21 1787089232 UOEOKWDMVSETRB-SRVKXCTJSA-N 401.265 -0.562 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)c1cnc(OCF)cn1 1794406444 PGURALVGAPRUIR-IQOUGMIPSA-N 402.810 -0.415 50 20 HBGD CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795739961 WKQRMDXAYJGRJN-SCNOPHJPSA-N 417.271 -0.630 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1cnc2ncccn12 1796189093 VOGGLLRVXPAOMO-BJWYYQGGSA-N 419.250 -0.025 50 20 HBGD COCc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1 1830730863 FJOUEVBLDYOBLD-QAPCUYQASA-N 415.874 -0.169 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCC(N2CCC(NC(=O)C(=O)N(C)C)CC2)CC1 1834634278 HVOVRHMQGNVLRJ-OAHLLOKOSA-N 402.923 -0.100 50 20 HBGD C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(B(O)O)cc4)CCO3)C2)C1 1835926653 WMDHLGYGPOQJLU-OAQYLSRUSA-N 414.267 -0.597 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 1837712114 FKNYDHGLFYPQTI-KDOFPFPSSA-N 413.547 -0.427 50 20 HBGD CC[C@@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839966964 VHGDRNXNQGSTGV-WBMJQRKESA-N 417.256 -0.296 50 20 HBGD C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 9931031 TXTZXHNJRAKJOD-UWVGGRQHSA-N 423.900 -0.411 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl 743258033 UKYUFYVRYBNTFX-YFKPBYRVSA-N 412.833 -0.978 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c1 748696721 RKRNBTBLDIGUGL-UHFFFAOYSA-N 423.407 -0.532 50 20 HBGD C#CC(=O)NNC(=O)Cn1c(=O)c2c(ncn2CC(C)C)n(Cc2ccccc2)c1=O 753917784 PCHYEPSDDPQQQY-UHFFFAOYSA-N 422.445 -0.155 50 20 HBGD CCOc1ccc(N2C[C@@H](C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)CC2=O)cc1 758036755 VALMPZSOXGHIFA-NEPJUHHUSA-N 412.468 -0.477 50 20 HBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 764318402 UDGKNIKBADCFMC-UHFFFAOYSA-N 412.468 -0.016 50 20 HBGD COc1ccc(NC(=O)C(=O)NNC(=O)CN(C)C)c(I)c1 765699517 UNAFNCNXVOBPHF-UHFFFAOYSA-N 420.207 -0.053 50 20 HBGD Cc1cc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(F)cc1F 765724515 KKZFYAGKMNMPOK-UHFFFAOYSA-N 406.349 -0.518 50 20 HBGD C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NNC(=O)c1cc(-c2cccs2)[nH]n1 768259968 DQCVACRYWJOZLK-SECBINFHSA-N 423.480 0.000 50 20 HBGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)c2cnn[nH]2)(S(C)(=O)=O)CC1 796184233 NDPQQTXOFJBITA-UHFFFAOYSA-N 416.460 -0.620 50 20 HBGD CN1C(=O)CC[C@@H]1C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 806306717 SJUNUOAHWQFRJP-CQSZACIVSA-N 410.452 -0.911 50 20 HBGD COC(=O)C(C)(C)CS(=O)(=O)N1CCN(S(=O)(=O)CBr)CC1 808306377 VXDJASREALFWLW-UHFFFAOYSA-N 421.335 -0.185 50 20 HBGD COCCNC(=O)C1CCN(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CC1 889340711 IMMVSTQRCJRXHK-UHFFFAOYSA-N 416.442 -0.509 50 20 HBGD CS(=O)(=O)CCC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 914830737 UPRCADONJSOICR-UHFFFAOYSA-N 403.482 -0.333 50 20 HBGD COCCCNC(=O)NNC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 921028006 QLLCPIXJDXDCEK-UHFFFAOYSA-N 405.502 -0.267 50 20 HBGD CSCC[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783938148 VSPUINYDKWLLTI-KSSFIOAISA-N 416.544 -0.697 50 20 HBGD CCS(=O)(=O)N[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C(Cl)Cl)C2)C1 1783941629 FQHJVUJABNBRGU-HZMBPMFUSA-N 416.327 -0.052 50 20 HBGD Cc1nnsc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791291491 WRANZNVMOBVMJV-IHRRRGAJSA-N 424.527 -0.187 50 20 HBGD C[C@H](Br)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NN(C)C(=O)CC1 1793787575 WHGKSCXAZMZNDW-DYNIEEOBSA-N 415.288 -0.032 50 20 HBGD CCC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H]1NC(=O)NC1=O 1793942513 ZXPWNMKFOFYDGD-CYRBOEJBSA-N 400.863 -0.418 50 20 HBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1cncnc1 1794451279 IVMNVUIQNZDSNA-QDMKHBRRSA-N 409.450 -0.030 50 20 HBGD O=C(CCN1CCOCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2 1795469689 JSENAVQTUQCDTK-AYRXBEOTSA-N 422.295 -0.011 50 20 HBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=COCC1)C2 1797753908 AIKKTAGRQCNALC-YWVIFJGQSA-N 401.423 -0.808 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)C=CC1=O 1801119493 DPXZWDFIUCHHOV-VODVUFLWSA-N 418.277 -0.263 50 20 HBGD O=C(NC[C@@H]1CCN(C(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1)C1CC(O)C1 1803044174 SFBLVOOCHYWMRY-CLPROHDKSA-N 423.278 -0.148 50 20 HBGD O=C(NC[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1)[C@@H](O)CCl 1803135683 FOSGHFPPEHDRJM-XEZPLFJOSA-N 423.857 -0.761 50 20 HBGD CCCNC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830727040 ZSEJSPCMXSQAQS-KSSFIOAISA-N 419.906 -0.651 50 20 HBGD Cc1nnc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)s1 1836074894 FWZVFVPJOAHFIB-LRDDRELGSA-N 418.903 -0.555 50 20 HBGD O=C(c1ncon1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1838321134 PBONUWNSNHHDKN-ZANVPECISA-N 407.196 -0.170 50 20 HBGD CC[C@H](Br)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NC=O)CCO2 1839166198 ICCWDWKWTUJYAG-WWGRRREGSA-N 420.304 -0.249 50 20 HBGD CCOC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)CC1 1839759598 BBKLNVVXAISNHG-GUYCJALGSA-N 418.874 -0.614 50 20 HBGD CC(C)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839848259 IGQCHVBIWCSCIU-NRFANRHFSA-N 418.299 -0.127 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(O)[nH]3)C2)C1 1840033792 QEQRVDHGEPMDFA-BONVTDFDSA-N 417.260 -0.031 50 20 HBGD C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840184744 DKKGSUWTPTZGPO-SUMWQHHRSA-N 402.517 -0.866 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2cnc(Cl)nc2)C1 1840974063 OXIICTXMPWFLFB-UHFFFAOYSA-N 400.631 -0.059 50 20 HBGD Cc1cc(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cnccc2C(=O)NN)nn1C 1847667003 BZIFLMHXZPZXLV-IRXDYDNUSA-N 411.466 -0.215 50 20 HBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CN2CCN(C)CC2)c1 732259027 YGUVZGYUHXWDDM-UHFFFAOYSA-N 411.528 -0.275 50 20 HBGD O=C(CN1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1)NNC(=O)C1CC1 733193088 BFHFENFCKHXHPH-UHFFFAOYSA-N 420.413 -0.032 50 20 HBGD Cc1cc(S(=O)(=O)NNC(=O)[C@H]2COCCO2)ccc1OCCCC(=O)O 745979437 QBZODKKORUPRCC-CQSZACIVSA-N 402.425 -0.036 50 20 HBGD O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NNC(=O)C(=O)N1CCCC1 748247418 NOZGNTHIMPSCGC-UHFFFAOYSA-N 407.452 -0.725 50 20 HBGD COc1ccc(N2CCN(CCNC(=O)NNC(=O)C(=O)N3CCCC3)CC2)cc1 748461289 NIJPPMSIOLZDIA-UHFFFAOYSA-N 418.498 -0.230 50 20 HBGD CC(C)c1nc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cs1 765725477 SOOCMUDUKQJGGG-UHFFFAOYSA-N 405.440 -0.525 50 20 HBGD CS[C@@H](C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1 766635934 JWXAEXXGUSEVGX-CQSZACIVSA-N 416.463 -0.315 50 20 HBGD COc1ccc(C(=O)NNC(=O)COC(=O)C2(S(C)(=O)=O)CCC2)cc1OC 796189490 UCNQYYHRHIDQBK-UHFFFAOYSA-N 414.436 -0.025 50 20 HBGD CCCCS(=O)(=O)NCC(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1 802066077 ORHPWHBHSYOKJH-UHFFFAOYSA-N 406.486 -0.038 50 20 HBGD Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1)C2=O 919888233 AZZKRDFOSYRNSZ-QWRGUYRKSA-N 408.436 -0.503 50 20 HBGD O=C(CNC(=O)NCc1ccc(F)cc1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 919889961 XNNIFEHEAMGQIY-GFCCVEGCSA-N 401.420 -0.858 50 20 HBGD CN1N=C(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)CCl)C[C@@H]32)CCC1=O 1784974914 DSZNKUCMPHWOEJ-VTPLQMEGSA-N 400.863 -0.826 50 20 HBGD NC(=O)CC[C@H](N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1786802278 DVXBWEATGAYFCW-CCJOIDDDSA-N 423.283 -0.751 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)c1cc2n(n1)CCCO2 1788346815 RKQTYRJAGZLFAH-VIRABCJISA-N 412.874 -0.141 50 20 HBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3C[C@@H](O)C3)C[C@@H]21 1788611385 XYUYMAJUGZXSSO-PMUIAIRXSA-N 417.466 -0.951 50 20 HBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1CCN(C)CC1 1795446451 SHHWFRIWZNVYAI-DFGXFYAUSA-N 416.950 -0.533 50 20 HBGD CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795737720 MGCPTTXAXATGPW-FSDCSDTHSA-N 406.313 -0.476 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)[C@H]1CC[C@H]2CCC(=O)N2C1 1799144718 RQCAVVMDBZNJIQ-QYHZKZLOSA-N 413.902 -0.423 50 20 HBGD Cn1ccc(=O)cc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1799221367 MVTKSCMKDUSRMY-BJWYYQGGSA-N 409.251 -0.369 50 20 HBGD CC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCS(=O)(=O)CC1)C2 1799263258 IDXZXTLOQKISIE-HLPPOEQASA-N 421.947 -0.676 50 20 HBGD C[C@@H](Cn1cncn1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCC(=O)NN(C)C 1802337771 RJYOQGSXDYTMGS-JONQDZQNSA-N 405.503 -0.075 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCCC2(CCN(C(=O)[C@H](O)CCl)CC2)C1 1809978192 WRLYYSSITVTXNY-MRXNPFEDSA-N 408.691 -0.189 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)Cn3cncn3)sc2C1 1815671460 AGXMUUPHIAZKLQ-LLVKDONJSA-N 420.499 -0.280 50 20 HBGD COC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1829941673 MATDZZCDYBBGOM-IBGZPJMESA-N 414.503 -0.759 50 20 HBGD Nc1ncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)s1 1830722894 IOOHDBSSPZUIHI-MEBBXXQBSA-N 404.876 -0.605 50 20 HBGD COc1ccnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1 1830731559 MFVOKXMYDWABMO-CRAIPNDOSA-N 413.858 -0.240 50 20 HBGD CC[C@@H](O)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(B(O)O)c3)CC2)CC1 1834800580 OZCVOZYLPNRWDN-LJQANCHMSA-N 417.315 -0.678 50 20 HBGD CC(=O)N/C(C)=C/C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839645612 OYBVLSBNCFMUJA-QMFLQCCBSA-N 403.863 -0.918 50 20 HBGD O=C1C[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)CN1 1839873482 XTOJYONFKYGSED-ITDIGPHOSA-N 422.251 -0.731 50 20 HBGD CC[C@H](Br)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC=O)C2)C1 1839966292 ZWILQNBUMMBPMM-XEZPLFJOSA-N 420.304 -0.249 50 20 HBGD CCC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840851915 WOPGZAMHXLTDCW-HDMKZQKVSA-N 419.906 -0.653 50 20 HBGD CCn1nc(C(=O)NNC(=O)[C@@H]2CCCCN2S(C)(=O)=O)c2ccccc2c1=O 14709111 LSUPAROQPQYMLD-AWEZNQCLSA-N 421.479 -0.009 50 20 HBGD O=C(CCOc1ccccc1)NNC(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 144717928 SBALDSPBDKLEBC-CYBMUJFWSA-N 412.468 -0.521 50 20 HBGD Cc1csc(CC(=O)NNC(=O)COC(=O)CN(C)C(=O)[C@@H](C)n2cccn2)n1 728729079 GYLCMAIACUKAGM-GFCCVEGCSA-N 422.467 -0.399 50 20 HBGD C[C@H]1CN(CCC(=O)NNC(=O)CCCS(=O)(=O)N2CCCC2)C[C@@H](C)O1 732263117 JXUZGWBCFRBBIA-GASCZTMLSA-N 404.533 -0.161 50 20 HBGD CCN(CC)C(=O)CSc1nnc(SCC(=O)NNC(=O)C2CC2)n1N 742449121 MXDXDWJSNGHRTE-UHFFFAOYSA-N 401.518 -0.398 50 20 HBGD CCNS(=O)(=O)c1ccc(CC(=O)NNC(=O)CNC(=O)c2cccnc2)cc1 759402425 HPXJNIYCNFFFJU-UHFFFAOYSA-N 419.463 -0.500 50 20 HBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(C(=O)N2CCN(CC)CC2)cc1 764325313 JAJVUKKYGUARAW-UHFFFAOYSA-N 405.455 -0.413 50 20 HBGD C[C@@H]1CN(Cc2cccc(NC(=O)C(=O)NNC(=O)[C@H]3COCCO3)c2)C[C@@H](C)O1 764425266 OHNWGBLCBPFYHY-CKEIUWERSA-N 420.466 -0.203 50 20 HBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccc(NC(C)=O)cc1 771931972 LFOPMRRQWOQGKV-JTQLQIEISA-N 414.440 -0.588 50 20 HBGD CNS(=O)(=O)c1ccccc1S(=O)(=O)NNC(=O)c1cccc(OC)c1O 799524307 ZMBAHHHBPMVOFY-UHFFFAOYSA-N 415.449 -0.068 50 20 HBGD COC(=O)C(=O)NNC(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 1322249666 TYVYOCCGHMSCKC-UHFFFAOYSA-N 418.497 -0.031 50 20 HBGD O=C(CNC(=O)c1cccnc1)NNC(=O)C1CCN(C(=O)c2cccnc2)CC1 1322617094 BPFHEDMREYIPST-UHFFFAOYSA-N 410.434 -0.094 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)C2)c1cccc(B(O)O)c1 1795741437 YMGJDXVZLCZDNL-DQQHVZQSSA-N 414.267 -0.863 50 20 HBGD N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)cc1 1798920106 HNCPQDAKUZSDQJ-OPVJXMOQSA-N 419.246 -0.245 50 20 HBGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCS1(=O)=O)C2 1800761938 KDVHVDKOGDPZDW-NAWOPXAZSA-N 423.329 -0.063 50 20 HBGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)C=CC1=O)C2 1800762623 FPYASDZXQALPST-YYHMBLRTSA-N 414.256 -0.716 50 20 HBGD Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)n1 1801009618 SMEVKUAJKXHING-CCWDJLKJSA-N 403.483 -0.034 50 20 HBGD Cc1cnn(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)c1 1801013434 WMIXOJJPKLBKND-CCWDJLKJSA-N 406.487 -0.846 50 20 HBGD C[C@H](NC=O)C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807372231 BYNXODGKAUHMTP-UCLAIMLFSA-N 424.266 -0.785 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCCC2(CCN(C(=O)c3cnc(O)[nH]3)CC2)C1 1809970997 GTFBGACPZXALRE-UHFFFAOYSA-N 412.255 -0.046 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCCC2(CCN(C(=O)[C@@H](O)CCl)CC2)C1 1809978185 WRLYYSSITVTXNY-INIZCTEOSA-N 408.691 -0.189 50 20 HBGD O=C(N[C@@H]1CCc2nc(NC(=O)c3nc[nH]n3)sc2C1)c1ccc(B(O)O)cc1 1816025524 GMFBWRYFGKFDMM-LLVKDONJSA-N 412.240 -0.519 50 20 HBGD Nc1nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cs1 1830722875 IATUDYOLXGGSIT-XHDPSFHLSA-N 404.876 -0.605 50 20 HBGD O=C(c1ncc(Cl)cn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830724437 HHJZKRZGNOXGCZ-LRDDRELGSA-N 419.265 -0.200 50 20 HBGD O=C(Cc1ccccc1O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830735246 DXHRMPFCMXWEII-LPHOPBHVSA-N 412.870 -0.009 50 20 HBGD O=C(C1CCC(O)CC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830737842 JBKDLYDZRAPILT-PPPKJHQXSA-N 404.891 -0.406 50 20 HBGD CN1C(=O)CC[C@H]1C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)CCl)CC2)CC1 1833313290 DSWLMDNHQUEDRW-HOTGVXAUSA-N 414.934 -0.222 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1837363060 BIMRURWUGRSPOR-HZPDHXFCSA-N 421.281 -0.445 50 20 HBGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)COCCO)C2)C1 1840034648 RYPUPXRPFIYWJL-IUODEOHRSA-N 409.277 -0.765 50 20 HBGD Cn1nc(SCC(=O)NNC(=S)Nc2ccc(F)cc2F)c(=O)n(C)c1=O 730595382 CCJWJHLAUUDNIM-UHFFFAOYSA-N 416.435 -0.133 50 20 HBGD O=C(NCCS(=O)(=O)NCC1CCC1)NNC(=O)[C@@H]1COc2ccccc2O1 731685953 MVPPPWVDOSSLNQ-HNNXBMFYSA-N 412.468 -0.124 50 20 HBGD O=C(COCc1ccccc1)NNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 737922766 BOQQFSAOFCRTNB-QGZVFWFLSA-N 404.467 -0.469 50 20 HBGD O=C(NNS(=O)(=O)c1cccc(-n2cnnn2)c1)c1ccc(-n2cnnn2)cc1 743729153 BJENABOBYZUXQQ-UHFFFAOYSA-N 412.395 -0.739 50 20 HBGD CN(CC(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1)S(C)(=O)=O 744622132 NYCWAXYERHWSAB-UHFFFAOYSA-N 406.486 -0.958 50 20 HBGD Cc1nc(S(=O)(=O)NCC(=O)NNC(=O)Cc2cn3ccccc3n2)cn1C 746641041 KRVBYHZUGADIRM-UHFFFAOYSA-N 405.440 -0.955 50 20 HBGD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NNC(=O)C(=O)N3CCCC3)cc2)C1 748461651 QNHQKHLXOCIWHM-OAHLLOKOSA-N 416.482 -0.159 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2ccc(Cl)c(C#N)c2)n(C)c1=O 758362766 SCFBBKGYJFWSNV-UHFFFAOYSA-N 415.797 -0.580 50 20 HBGD Cc1cc(C(=O)NNC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)n[nH]1 765587468 LINWSROKRDGAAK-UHFFFAOYSA-N 411.415 -0.047 50 20 HBGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)C1CCC2(CC1)NC(=O)NC2=O 767340298 OQEASXCUANKWIV-UHFFFAOYSA-N 416.434 -0.003 50 20 HBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 771853412 GTMGDKFVWHTSEP-NSHDSACASA-N 410.452 -0.006 50 20 HBGD Cc1ccc(Cn2nccc2NC(=O)C(=O)NNC(=O)CNC(=O)c2ccco2)o1 784004761 TTYUWEUIVBVYTR-UHFFFAOYSA-N 414.378 -0.058 50 20 HBGD CN(C)S(=O)(=O)[C@@H]1CCCN(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)C1 796129421 QOAWBJCBECZMOL-CQSZACIVSA-N 413.456 -0.288 50 20 HBGD CN(C)S(=O)(=O)N1CCN(CC(=O)NNC(=O)c2cccc(Cl)c2)CC1 914575387 AHEYOKMCBJKUTR-UHFFFAOYSA-N 403.892 -0.475 50 20 HBGD CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 1115818724 SCFJEZKSXILRDO-WBMJQRKESA-N 406.464 -0.203 50 20 HBGD O=C(NNC(=O)[C@@]1(F)CCOC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 1258436953 LIWDKRZCPYUCPP-MRXNPFEDSA-N 401.416 -0.403 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCC=CO3)C2)C1 1778985579 UKMHFYKNXXWFQO-PXNSSMCTSA-N 400.240 -0.497 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779020203 IYODYWTUIDCQAN-LQOIVRHRSA-N 422.530 -0.339 50 20 HBGD C#CC(=O)N1CCO[C@@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780968498 LVJIKUOPNBXXRN-OAQYLSRUSA-N 413.478 -0.204 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)COc3ccc(O)nn3)CCO2)C1 1783882626 PZHFAJXMAXVOEK-SJKOYZFVSA-N 414.846 -0.355 50 20 HBGD Cn1ccnc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786979444 JXACCPPWVJKZRU-XIRDDKMYSA-N 412.255 -0.993 50 20 HBGD C[C@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)n1cnnn1)C2 1792873032 JAYWNRUAGFYIHM-NJMOYASZSA-N 415.292 -0.145 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cscn1 1794796554 XQYFVKKMDIRHFI-QHBPRCKVSA-N 416.463 -0.341 50 20 HBGD CC[C@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CO[Si](C)(C)C)C2 1796320004 FKJNKXFOEUQMOG-XFMPKHEZSA-N 400.552 -0.126 50 20 HBGD Cn1nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnccc2C(=O)NN)cc1O 1798440831 XVOUDVXPXUVAKL-ZSBIGDGJSA-N 413.438 -0.310 50 20 HBGD COc1nccnc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801009652 YCLNAJJLRKNLJA-YWVIFJGQSA-N 420.470 -0.939 50 20 HBGD CN(C)NC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1nc[nH]n1)CC2 1826085526 YNUVNFQRXNDHIA-VIFPVBQESA-N 406.472 -0.140 50 20 HBGD NC(=O)[C@H](N)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](O)CCl)CC1 1826933115 WPCFBJSHASORNH-RBSFLKMASA-N 402.923 -0.201 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnn3C)CCO2)C1 1834238745 HFJXUMHOULEPSJ-SUMWQHHRSA-N 400.863 -0.256 50 20 HBGD COC(OC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839199608 YGIYKSIXKWHNAM-QMTHXVAHSA-N 413.240 -0.248 50 20 HBGD O=C(c1cc(O)ccc1O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839445727 IWQNWEVMHGMJFL-CRAIPNDOSA-N 414.842 -0.233 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1839864938 YDUJPOBTQKZGHQ-CVEARBPZSA-N 410.298 -0.055 50 20 HBGD CC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1cnnn1)CCO2 1840478743 ADJHHKKOAPLNEG-WWGRRREGSA-N 400.867 -0.292 50 20 HBGD CN(C)c1cccc(C(=O)NNC(=O)Cn2cc(Br)c(=O)[nH]c2=O)c1 14519146 NNHJICAAYKKXDJ-UHFFFAOYSA-N 410.228 -0.174 50 20 HBGD Cn1c(=O)c2ccc(C(=O)NNC(=O)Cc3nc4ccccc4n3C)nc2n(C)c1=O 116817136 JOZBGZLDLXWKQZ-UHFFFAOYSA-N 421.417 -0.477 50 20 HBGD COCCCNC(=O)[C@H](C)N1CCN(CC(=O)NNC(=O)c2ccc(F)cc2)CC1 728931349 ARHMPWNINSMGPQ-HNNXBMFYSA-N 423.489 -0.255 50 20 HBGD COc1ncnc(OC)c1C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 729874437 INXMGXWOZAJIDX-LBPRGKRZSA-N 418.362 -0.362 50 20 HBGD Cn1c(=O)c2cc(C(=O)NNC(=O)c3cnn(-c4ccccc4)c3)n(C)c2n(C)c1=O 733171780 XZOXWAHSLKWGLT-UHFFFAOYSA-N 421.417 -0.164 50 20 HBGD O=C(CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NNC(=O)c1ccc2c(c1)OCO2 742472009 JGVJFPFWENGPMQ-CZPYZCIJSA-N 401.375 -0.271 50 20 HBGD NC(=O)CNS(=O)(=O)c1ccc(C(=O)NNC(=O)COCc2ccccc2)o1 746286306 XZCJLJSTYALHMC-UHFFFAOYSA-N 410.408 -0.979 50 20 HBGD Cc1nn(C)c2ncc(C=NNC(=O)CSc3nn(C)c(=O)n(C)c3=O)cc12 747611665 NMHVRHQPMCQNQO-UHFFFAOYSA-N 402.440 -0.688 50 20 HBGD CSc1nnnn1-c1cccc(NC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 755733872 LVGOZCPNZTXDOA-VIFPVBQESA-N 411.469 -0.028 50 20 HBGD C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNC(=O)Cc1ccncc1 763060978 CHBAUSQVDMQCPE-NSHDSACASA-N 405.436 -0.763 50 20 HBGD COCCCn1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2C#N)n1 763813493 MHOGNMIENANBRM-UHFFFAOYSA-N 400.395 -0.044 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)[C@H]2C[C@@]23CCc2ccccc23)n(C)c1=O 765727773 MXSCZQGTDRBUMP-SPLOXXLWSA-N 422.445 -0.515 50 20 HBGD CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)Cc2cn3ccccc3n2)cn1 769973176 SSSZECNDZXCUOQ-UHFFFAOYSA-N 402.436 -0.017 50 20 HBGD COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)NNC(=O)C(=O)NC2CC2)C1=O 771233792 GYOYONWPEZRJTB-IBGZPJMESA-N 417.422 -0.803 50 20 HBGD C[C@@H]1NC(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)=NN(c2ccccc2)C1=O 778440870 KXDVKURSDAMRLM-NSHDSACASA-N 404.427 -0.003 50 20 HBGD NS(=O)(=O)c1cccc(N2C[C@H](C(=O)NNc3nc4ccccn4n3)CC2=O)c1 791258758 HZOWBFMQVPWFEK-LLVKDONJSA-N 415.435 -0.127 50 20 HBGD COC(=O)COCC(=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 807092685 FPBHZJRKIRUZOW-UHFFFAOYSA-N 412.874 -0.205 50 20 HBGD Cc1noc(C)c1S(=O)(=O)NCC(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1 809981533 OFQAUNFXSFNZAM-GHMZBOCLSA-N 417.488 -0.784 50 20 HBGD Cc1c[nH]nc1C=NNC(=O)C[C@H](C(=O)NN=Cc1n[nH]cc1C)N1CCOCC1 814855782 SPPJYPFSOQOBRN-MRXNPFEDSA-N 415.458 -0.559 50 20 HBGD Cc1ccc(C)c(OCC(=O)NNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c1 914829665 JYPYEBKBNNXLSZ-LSDHHAIUSA-N 423.491 -0.135 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1778854931 YNRNBXQZPUFGLF-ZUZCIYMTSA-N 415.292 -0.067 50 20 HBGD O=C(CNC(=O)C(F)(F)F)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1783976454 XGMWJLDPOMVHCS-NOZJJQNGSA-N 401.769 -0.906 50 20 HBGD NC(=O)CC[C@H](N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCBr)[C@H]2C1 1786404142 CXQIMXLABVUJMN-CYDGBPFRSA-N 419.320 -0.656 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)c3ccco3)C[C@@H]21 1791287326 XXBXOZNKQDZZNJ-PWDMQXDWSA-N 422.482 -0.334 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cc([N+](=O)[O-])cn1 1794278920 YUPHHHFQAAWVMB-BTTYYORXSA-N 421.458 -0.198 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](F)Br)C2)c1cccc(=O)n1O 1794360281 YXDSRHGBJHMYLS-OTMMVIPVSA-N 418.219 -0.021 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccncc1=O)C2)[C@@H](F)Br 1799347012 JWJGUFCYUVDQOM-RDBQEKCUSA-N 417.235 -0.477 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2)[C@@H]1CCCS1(=O)=O 1800392442 OVIVRQWPVVXFTB-OPDFLTKYSA-N 423.329 -0.062 50 20 HBGD CCC[C@@H](NC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1804207684 IRBNJDMKWNYYFG-FCGDIQPGSA-N 415.299 -0.077 50 20 HBGD O=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2)c1ccccc1 1830725970 SXSSYTYXLOXQMX-DNVCBOLYSA-N 410.854 -0.075 50 20 HBGD Cc1nn(C)c(C)c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830726245 PVYFFEANFQOJCY-KDOFPFPSSA-N 414.890 -0.293 50 20 HBGD CCC[C@H](Cl)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CNC(=O)O1)CCO2 1831563190 BHINAURHOOCTGF-GDZNZVCISA-N 403.863 -0.041 50 20 HBGD O=C(O)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Cl)C3)C2)ncn1 1833492670 RWBFXNOVGILLLL-LRDDRELGSA-N 416.793 -0.221 50 20 HBGD Cn1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)CO[Si](C)(C)C)CCO3)C2)n1 1837712620 ZZAXRZRKJJOMBP-KRWDZBQOSA-N 411.535 -0.263 50 20 HBGD N[C@H](CC(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2)c1cccnc1 1842975733 LZLBXYFGHFGMGA-GOSISDBHSA-N 408.267 -0.332 50 20 HBGD C[C@@H](C(=O)N1CCCC12CN(C(=O)CCC(=O)NN(C)C)C2)[C@@H]1SC(=N)NC1=O 1843409282 STEULKMNRZVCAZ-RISCZKNCSA-N 424.527 -0.635 50 20 HBGD Cn1nc(C(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)c2c1CCC2 1843773976 WRSUEUYYTLMIMX-UHFFFAOYSA-N 408.267 -0.281 50 20 HBGD COc1ccc([C@H](O)C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cccc(B(O)O)c2)cc1 1847396206 UUACZCJIXWSNFL-UFYCRDLUSA-N 424.262 -0.076 50 20 HBGD Cc1ccc(C(=O)NNC(=O)COC(=O)CNS(=O)(=O)c2c(C)noc2C)cc1 19610450 CZIMHCAMSWYCES-UHFFFAOYSA-N 424.435 -0.117 50 20 HBGD O=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)NNC(=O)Cc1cccnc1 728981551 AFFKSMJIYVXDQC-UHFFFAOYSA-N 420.447 -0.089 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 729274801 DHKXLSJHNZCNSE-HIFRSBDPSA-N 410.496 -0.447 50 20 HBGD O=C(Cc1cc[nH]n1)NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 730091516 FBBCCBBQWBXVOI-UHFFFAOYSA-N 411.415 -0.427 50 20 HBGD CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NNC(=O)N(C)C)o1 746001725 SZPUWEPAKIWWJM-SNVBAGLBSA-N 402.429 -0.088 50 20 HBGD COC(=O)/C=C\c1ccc(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1 747613916 YEGDUNZCXLIZMT-MBACFSSFSA-N 405.454 -0.880 50 20 HBGD CNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)C2=S=C3CCCC3=C2)cc1 763783543 QBAMVKXYWVZVFS-UHFFFAOYSA-N 422.488 -0.118 50 20 HBGD CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NNC(=O)c2cc(C)[nH]n2)c1 765580927 HMFXKBOKIMGRDU-UHFFFAOYSA-N 410.456 -0.628 50 20 HBGD C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)C(=O)Nc1cnn(CC(N)=O)c1 774011291 XTSAUUBVDBEEMU-SECBINFHSA-N 408.802 -0.425 50 20 HBGD NC(=O)[C@@H]1CCC[C@@H](C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)C1 787125260 GUHNWDRPHDIJIP-IAGOWNOFSA-N 415.494 -0.117 50 20 HBGD CN(C)c1c(C=NNC(=O)NCCNC(=O)OC(C)(C)C)c(=O)n(C)c(=O)n1C 807972391 CNAAUUDBNXJYRC-UHFFFAOYSA-N 411.463 -0.692 50 20 HBGD Cn1cc(S(=O)(=O)N2CCC(NC(=O)NNC(=O)Cc3cccnc3)CC2)cn1 1319052964 FYASLTKLDHTHQU-UHFFFAOYSA-N 421.483 -0.459 50 20 HBGD Cc1cc(S(C)(=O)=O)cc(C(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)c1C 1319522021 XPZYAUMZXKTTEO-LLVKDONJSA-N 403.482 -0.162 50 20 HBGD C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](F)Cl)CCO2 1779181049 ZKRQIRXKUGHDOY-PLQHRBFRSA-N 413.837 -0.041 50 20 HBGD O=C(c1c[nH]c(=O)cn1)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781334183 MUCJEFWAAXKEBG-RISCZKNCSA-N 403.208 -0.096 50 20 HBGD COc1nccnc1C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783935632 AXLLBEMNRLLRKN-IBGZPJMESA-N 420.470 -0.698 50 20 HBGD O=C(CCc1ccc[nH]1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1795785228 ZEOCWCZDMPIXRZ-CWPLJXCYSA-N 411.267 -0.470 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC(F)(F)C(=O)O)c1cccc(B(O)O)c1 1796790834 YXRWSCFOEKLZAW-BTTYYORXSA-N 410.182 -0.272 50 20 HBGD CC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2 1799270306 XFJBACZIKDXHKP-BSTOTGJRSA-N 409.834 -0.967 50 20 HBGD CC1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(=O)NN(C)C)CC1 1801010598 KNCQLRMQQCFCCN-UPHUGPLXSA-N 423.558 -0.319 50 20 HBGD Cc1cn(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(Cl)Cl)C3)c(=O)nc1O 1801972604 XOCRRNJXDBKCJP-PEGIJTEDSA-N 419.265 -0.349 50 20 HBGD NC(=O)NCC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)CC1 1827055223 SHDJSHXKSDGKAA-KRWDZBQOSA-N 416.287 -0.732 50 20 HBGD NC[C@H](N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cnccc2C(=O)NN)CC1 1828926526 MPXTZIGJNXOBHN-IRXDYDNUSA-N 417.514 -0.796 50 20 HBGD Cc1nc(N)sc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830723581 QADMKEZCOCNDBM-ZBEGNZNMSA-N 418.903 -0.297 50 20 HBGD C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1)N1C[C@H]2C[C@H]2C1 1830731265 JETFAENYJBWKTM-MZZPOWALSA-N 415.918 -0.617 50 20 HBGD CC(=O)N/C(C)=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1839645614 OYBVLSBNCFMUJA-SARSIEBVSA-N 403.863 -0.918 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cc[nH]n3)CCO2)C1 1839723369 SJZXECCTQWVNLS-RHSMWYFYSA-N 400.863 -0.338 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncnn3C)C2)C1 1840150031 DYWIWOGTQONSSS-BLLLJJGKSA-N 401.851 -0.861 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnoc3)C2)C1 1840183876 GGMFWTDTJYPMOA-GOSISDBHSA-N 409.443 -0.882 50 20 HBGD O=C(CSc1nc[nH]n1)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1840380337 VDEOWIXSNPLWOX-SMDDNHRTSA-N 407.855 -0.112 50 20 HBGD C[C@@](O)(C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1)C(F)(F)F 1844263440 FYUJRYRMRPDPOC-OAHLLOKOSA-N 415.372 -0.185 50 20 HBGD CNC(=O)COc1cccc(CNC(=O)NNC(=O)CNC(=O)c2ccco2)c1 725871320 JGKXSEIRLIKMMO-UHFFFAOYSA-N 403.395 -0.335 50 20 HBGD CCOc1cc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)ccc1OCC(=O)OC 728461340 YBXMORKYAFPBME-GFCCVEGCSA-N 414.436 -0.167 50 20 HBGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1ccc2c(c1)OCCO2 730568892 GDPHYCCRBGQQBT-UHFFFAOYSA-N 405.436 -0.117 50 20 HBGD Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNc1ncnc2[nH]cnc12 743473702 QRCLBXKBPJQKBI-UHFFFAOYSA-N 406.428 -0.531 50 20 HBGD CCOc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)C(=O)N2CCCC2)cc1 748246575 MASINEHJTRHBDD-UHFFFAOYSA-N 412.468 -0.477 50 20 HBGD O=C(COCc1ccccc1)NNC(=O)NCCNS(=O)(=O)Cc1ccon1 750282329 SOSLNLOLPOLCDJ-UHFFFAOYSA-N 411.440 -0.359 50 20 HBGD Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)N[C@@H](C)C[S@@](C)=O)cc1 753356040 BDORJXYXXGYFGN-UOXLDJKESA-N 404.514 -0.287 50 20 HBGD Cc1cc(C)n(CC(=O)NNC(=O)Nc2cccc(C(=O)NCCC(N)=O)c2)n1 756393956 UTGIRZCCNKDDCP-UHFFFAOYSA-N 401.427 -0.042 50 20 HBGD CNC(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)CBr)CC2)cn1 758535734 RJCSWXZZZWWZOY-UHFFFAOYSA-N 405.274 -0.119 50 20 HBGD CCS(=O)(=O)NCC(=O)NN(C)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 758785164 BGYFXKMFBBTJLQ-UHFFFAOYSA-N 407.493 -0.439 50 20 HBGD CCn1c(O)nc2cc(C(=O)NNC(=O)CNC(=O)c3cccnc3)ccc2c1=O 764344744 IFVBFJHLNABWDK-UHFFFAOYSA-N 410.390 -0.292 50 20 HBGD COc1ccccc1-c1cc(C(=O)NNC(=O)Cn2[nH]cc3c(=O)ncnc2-3)n[nH]1 768276421 KDHBIFYPNKRLRF-UHFFFAOYSA-N 408.378 -0.069 50 20 HBGD COCCCNC(=O)[C@H](C)N1CCN(C(=O)NNC(=O)c2cccc(C)n2)CC1 793220821 RFZVDRAFALGLOG-HNNXBMFYSA-N 406.487 -0.097 50 20 HBGD CC(C)[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1 802066844 BHWLSIQRNLBSLS-GFCCVEGCSA-N 406.486 -0.183 50 20 HBGD COCCO[C@@H](C)C(=O)NNC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F 806564618 DTMMMYFKKLKGEW-IUCAKERBSA-N 408.399 -0.809 50 20 HBGD Cc1cc(C)nc(NNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)n1 914465397 YOVYUTMCPGVOKF-UHFFFAOYSA-N 404.452 -0.029 50 20 HBGD O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(N2CCCS2(=O)=O)cc1 1115819335 WBTMYYTVRNYXGP-GFCCVEGCSA-N 401.466 -0.578 50 20 HBGD CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)CN2CCS(=O)(=O)CC2)CC1 1318613144 QXWOJZWEPNZAOJ-UHFFFAOYSA-N 418.516 -0.489 50 20 HBGD COc1ccc(C(=O)NNC(=O)COC(=O)C[C@H]2C=CS(=O)(=O)C2)cc1OC 1321414910 SZBOTYSNYLOQHM-LLVKDONJSA-N 412.420 -0.044 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)CCN3CCOC3=O)C2)C1 1778160056 CFGXXGGIHHFPGG-SUMWQHHRSA-N 403.863 -0.088 50 20 HBGD C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)n1ccccc1=O 1788746865 VOQOGCRKHQNBTF-GVRJEKJASA-N 411.886 -0.011 50 20 HBGD O=C1NC(=O)[C@@H](CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(Cl)Cl)[C@H]3C2)N1 1791294044 BXZJQWQLLGFZON-QEYWKRMJSA-N 407.254 -0.632 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1CCCCC1 1795294594 STNRNJDSIDMBAJ-UPHUGPLXSA-N 423.558 -0.175 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2)[C@@H](F)Cl 1796362844 HJFASMDDJOOPST-LVNATWPUSA-N 420.850 -0.424 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCC(=O)NN(C)C 1802339832 OWNFJWFMTMWPQH-QDMKHBRRSA-N 410.519 -0.629 50 20 HBGD CN(C)CC(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@@H]1c1cccnc1 1807371068 PARSCUYNRUEILY-PXNSSMCTSA-N 410.283 -0.357 50 20 HBGD CN(C)CC(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc(B(O)O)c3)sc2C1 1815354897 HQCQDWFQXBEKEH-CYBMUJFWSA-N 402.285 -0.390 50 20 HBGD NC(=O)[C@H](N)CCC(=O)N1CCC(N2CCC(NC(=O)[C@H](F)Cl)CC2)CC1 1835080035 GWIRJCQGYIFZDH-HIFRSBDPSA-N 405.902 -0.315 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccn(C)n3)CCO2)C1 1836065214 SXRMCQOUGJDCPD-YJBOKZPZSA-N 414.890 -0.327 50 20 HBGD NC[C@H](N)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](F)Br)CC2)CC1 1838075565 OKYHXGRTUWQZJZ-QWHCGFSZSA-N 409.300 -0.039 50 20 HBGD C[C@@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840044036 IXLMCQUSOOPZOK-ABAIWWIYSA-N 403.229 -0.686 50 20 HBGD CN1CCCC[C@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnccc1C(=O)NN 1847579643 XQESAFPVIQHLSI-ULQDDVLXSA-N 400.483 -0.015 50 20 HBGD Cn1nc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)ccc1=O 42522838 BIFWYXKMFYAZAC-UHFFFAOYSA-N 405.436 -0.360 50 20 HBGD CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 728022198 MRMREGYSJWFKNR-LGSVWZNTSA-N 404.514 -0.238 50 20 HBGD COCCN1CC[C@@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 739034844 JZDYWFLWHKJTCG-CQSZACIVSA-N 413.500 -0.398 50 20 HBGD CCC(CC)NC(=O)C(=O)NNS(=O)(=O)c1ccc(OCC(=O)O)c(F)c1 740812580 PMMDXNPOZPTLFR-UHFFFAOYSA-N 405.404 -0.097 50 20 HBGD CCCS(=O)(=O)CC(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 744621722 ZULBHOKZIPTDPV-UHFFFAOYSA-N 405.498 -0.025 50 20 HBGD O=C(NNC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1)c1nnc(O)c2ccccc12 749866083 FOYCCCMFYWPIEK-AWEZNQCLSA-N 414.403 -0.174 50 20 HBGD CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 751361013 IPKFNKAYZYJEIG-ZJUUUORDSA-N 408.502 -0.186 50 20 HBGD CC(=O)[C@@H]1CC(C(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)=NN1c1ccccc1 751362416 OTUZHRHRAXOJHF-WFASDCNBSA-N 407.452 -0.272 50 20 HBGD CNS(=O)(=O)c1cc(C(=O)OCC(=O)NNC(=O)Cc2nc(C)cs2)co1 756403089 IGNHUVDCZWGWGA-UHFFFAOYSA-N 416.437 -0.500 50 20 HBGD C[C@H]1CN(c2ccccc2NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)C[C@@H](C)O1 764425426 PRKADYTZCBCDPO-DVOMOZLQSA-N 406.439 -0.199 50 20 HBGD O=C(NNC(=O)C(=O)NC1CC1)C(=O)Nc1cccc(I)c1 782965622 HUJDUTFLUXOEOY-UHFFFAOYSA-N 416.175 -0.344 50 20 HBGD NC(=O)c1ccc(CNC(=O)NNC(=O)CNC(=O)OCc2ccccc2)cn1 793085307 MDPYIMUAUXFPRN-UHFFFAOYSA-N 400.395 -0.063 50 20 HBGD NC(=O)[C@H]1CC(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)=NN1c1ccccc1 913082665 ZBVVZSOWLOORRB-MRXNPFEDSA-N 419.405 -0.457 50 20 HBGD COc1ccc(C(=O)NNC(=O)COC(=O)C[C@@H]2CCS(=O)(=O)C2)cc1OC 1317731241 LNNYYOUCECVQKS-NSHDSACASA-N 414.436 -0.167 50 20 HBGD Cc1nc(S(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c(Br)n1C 1323394363 GRIZKDXHNPBGGC-SSDOTTSWSA-N 415.291 -0.765 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccc(O)nn3)C2)C1 1782679983 MYYRXQCTUAJCOT-YVEFUNNKSA-N 414.846 -0.355 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)C(=O)c3cccn3C)C2)C1 1784610855 IYLUJMYYJJNZGX-FQEVSTJZSA-N 419.482 -0.589 50 20 HBGD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NN(C)C)C[C@@H]21)n1ccnn1 1790645008 XCXPNIHNPVGNMU-UGUYLWEFSA-N 421.502 -0.808 50 20 HBGD O=C(NC[C@@H]1CCN(C(=O)C2CC(O)C2)[C@H]1c1cccnc1)c1cccc(B(O)O)c1 1807363506 FDGGQAQKHVBOJO-KTLDDFEXSA-N 423.278 -0.148 50 20 HBGD COC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1831637128 JRLDYPBHJZMNLG-KXBFYZLASA-N 414.503 -0.902 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C3CC3)C2)C1 1840182243 AJZWUDSMGATEFI-ZEZYUPADSA-N 408.499 -0.218 50 20 HBGD C[C@H](C(=O)N1CC2(CCCN2C(=O)CCC(=O)NN(C)C)C1)N1CCN(C)CC1 1846385582 WKFUBOWNMZNNIQ-MRXNPFEDSA-N 408.547 -0.801 50 20 HBGD O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNS(=O)(=O)C1CC1 727353764 WWMIQPDMKPZFOM-UHFFFAOYSA-N 417.509 -0.247 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 728510135 ULVWRAGZSGYNTN-SNVBAGLBSA-N 404.470 -0.939 50 20 HBGD CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1ccc2c(c1)NC(=O)CO2 730571886 WRJICHLZDZRUSH-UHFFFAOYSA-N 418.435 -0.558 50 20 HBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)CCCNC(=O)C2CC2)CC1 735117682 FXMSGSAEOZPXQR-UHFFFAOYSA-N 424.527 -0.233 50 20 HBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 740851781 VUHHDQVIHXXWBV-UHFFFAOYSA-N 409.468 -0.137 50 20 HBGD Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NNC(=O)[C@H]2COCCO2)C1 744648493 CINWQFZCDRGJCI-CHWSQXEVSA-N 416.456 -0.745 50 20 HBGD C[C@@H](O)[C@H](NC(=O)C(C)(C)C)C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1 745701358 DRBCRSBTDRDZTQ-ABAIWWIYSA-N 404.423 -0.226 50 20 HBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)[C@H]1CCCN(C(=O)NC2CCCC2)C1 746102372 AWEJIGQHQDOZAV-STQMWFEESA-N 400.501 -0.067 50 20 HBGD CC(C)Cc1nnc(NC(=O)CCC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)s1 758030123 ONFBRCMEEMWFHF-SECBINFHSA-N 420.517 -0.460 50 20 HBGD CC(C)Oc1ccc(F)cc1NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 764231070 MEZFDHKOQQNKQY-VIFPVBQESA-N 404.420 -0.364 50 20 HBGD CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)C(=O)NNC(=O)CO)c1 764428531 GORZVLQQJTUICZ-UHFFFAOYSA-N 406.420 -0.410 50 20 HBGD CSCCNC(=S)NNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 769768232 JGRFYPCTDNHSNP-SECBINFHSA-N 407.543 -0.990 50 20 HBGD CC(=O)Nc1cncc(C(=O)NNC(=O)CNS(=O)(=O)CCOC(C)C)c1 773075777 TYQORQKKJFYTDT-UHFFFAOYSA-N 401.445 -0.855 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3[nH]nnc3C)CC2)cc1 789991078 PJPAKRWKOSRRNJ-UHFFFAOYSA-N 421.483 -0.811 50 20 HBGD Cn1cc(C(=O)NNC(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)cn1 799673182 SUKLZWJGBCDWLU-UHFFFAOYSA-N 402.383 -0.379 50 20 HBGD CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)NNC(=O)COc1ccccc1O 800057047 XLWCWCBGTZJNGA-NWDGAFQWSA-N 400.457 -0.181 50 20 HBGD NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)NNC(=O)N=c3cc[nH]cc3)CC2=O)c1 802028545 BTCNEPMMKAZOTG-NSHDSACASA-N 418.435 -0.643 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3cc4n(n3)CCO4)cc2)CC1 810341615 NZLFOAMWOVGNKG-UHFFFAOYSA-N 406.468 -0.032 50 20 HBGD Cn1ccnc(NNC(=O)CNS(=O)(=O)c2cccc(Br)c2)c1=O 810471086 XYPXJXMFMQSEIH-UHFFFAOYSA-N 416.257 -0.036 50 20 HBGD Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NN=Cc3cn(C)nc3O)CC2)cc1 814225275 QMAMELLTKVLBKY-UHFFFAOYSA-N 420.495 -0.109 50 20 HBGD CNS(=O)(=O)c1ccc(C)c(NC(=O)NNC(=O)[C@@H]2CCc3nncn3C2)c1 814637156 RKWHMZICVSYRJT-LLVKDONJSA-N 407.456 -0.090 50 20 HBGD COCCN1[C@H]2CC[C@H]1CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)C2 814785347 QWWFBUNCTLZFDI-STQMWFEESA-N 410.500 -0.684 50 20 HBGD COc1ccccc1OCC(=O)NNC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 920238511 HBVQEWFSSXDPQW-LBPRGKRZSA-N 400.457 -0.172 50 20 HBGD COCCN1C(=O)/C(=C\NNC(=O)[C@@H]2COc3ccccc3O2)C(=O)NC1=S 920977797 NGVAYDSYCWYIKY-KJJQSCHISA-N 406.420 -0.779 50 20 HBGD CN(C)S(=O)(=O)c1ccccc1NNC(=O)C1(S(C)(=O)=O)CCOCC1 1326356791 VPPAUMOWYPCNHL-UHFFFAOYSA-N 405.498 -0.026 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3cncnc3)CCO2)C1 1779030787 IDLFQSWGWCHSIB-LJQANCHMSA-N 411.422 -0.768 50 20 HBGD CN[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)CO[Si](C)(C)C)C2)C1)C(=O)O 1779296515 UIOLBFMODUAGAD-DYVFJYSZSA-N 401.536 -0.270 50 20 HBGD COc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)cn1 1783933345 ISEWGSXVEWYBAL-HXUWFJFHSA-N 419.482 -0.093 50 20 HBGD C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783933352 VNDQFDWVXVPAJS-BPJPHKDRSA-N 421.498 -0.952 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCCOC3)C2)C1 1785497353 PGMVYZZDZCZLGV-UZLBHIALSA-N 402.256 -0.764 50 20 HBGD C[C@H](Br)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CNC(=O)C3)[C@H]2C1 1790862550 DBSWBTYMRSDKQB-VLJOUNFMSA-N 402.289 -0.114 50 20 HBGD CC(=O)NC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(B(O)O)c1)C2 1793602572 OCXPMHGSRRNMOJ-BJWYYQGGSA-N 401.272 -0.467 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCS1)C2)c1ccc(B(O)O)cc1 1795736961 PXUJKMMJWAHMRA-YALNPMBYSA-N 404.297 -0.535 50 20 HBGD Cc1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)s1 1795737202 CLLJYNMNZIVFEQ-MIFYACCESA-N 415.280 -0.352 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[C@@H]1CCC=CO1 1797718411 MPWNRPSOVUNXRF-MVJTYMMSSA-N 400.240 -0.738 50 20 HBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccncc1)C2 1797752725 BIAYGICYXMMNLF-CCWDJLKJSA-N 424.461 -0.474 50 20 HBGD CCC(=O)N[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798439496 CWMNJRVMGOQQHV-YIYPIFLZSA-N 416.482 -0.148 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(=O)oc1)C2 1801009501 MUWFLBBLPVBDPK-ZSBFGKGUSA-N 406.439 -0.784 50 20 HBGD C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1)n1ccnc1 1830719566 GEVSYMWPIRHNFJ-CPUCHLNUSA-N 400.863 -0.500 50 20 HBGD COc1ccnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1 1830731561 MFVOKXMYDWABMO-QAPCUYQASA-N 413.858 -0.240 50 20 HBGD O=C(c1cc(O)n[nH]1)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1835857342 XLKIJDVHPTUFAJ-BXUZGUMPSA-N 421.223 -0.124 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CCO[C@]2(COCCN(C(=O)C3CCC3)C2)C1 1835929159 CNMFYNHHCMUIHY-FQEVSTJZSA-N 402.256 -0.764 50 20 HBGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc[nH]n3)CCO2)C1 1836353696 GFBOOGSAGGNAAM-IINYFYTJSA-N 402.249 -0.342 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCO2)C1 1839079247 HLADNSMESKVBII-CLROSIBMSA-N 424.325 -0.598 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccnc3)C2)C1 1840150442 MJSHXCDHNPDVCA-PBHICJAKSA-N 400.863 -0.407 50 20 HBGD CCS(=O)(=O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(Cl)Cl)CCO2 1840186796 PWPBJNHKAUQIJP-CQSZACIVSA-N 417.311 -0.319 50 20 HBGD O=C(CC1CCC1)N1CCO[C@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1840846979 LWEZTCOZCWJRST-OAQYLSRUSA-N 416.283 -0.373 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)CCN2CCCC2)C1 1847125474 ZDCGNWKWNCILQB-UHFFFAOYSA-N 400.483 -0.012 50 20 HBGD CCC(=O)N[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnccc1C(=O)NN 1847739017 WHHRWXASKPEZFU-CQDKDKBSSA-N 402.455 -0.585 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cc2c(cc1Cl)NC(=O)C2 728509559 IASZJLREWVGAEJ-LURJTMIESA-N 410.861 -0.918 50 20 HBGD COc1ccc(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)cc1[N+](=O)[O-] 730145363 VPYNBBHOMCKRCX-UHFFFAOYSA-N 408.396 -0.362 50 20 HBGD C[C@H]1CN(C[C@H](C)C(=O)NNC(=S)NCCCN2CCOCC2)C[C@@H](C)O1 747726618 YHIKFTDIHXABGA-HRCADAONSA-N 401.577 -0.051 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1ccccc1SCCC(N)=O 756364056 SFFPDPRTNMTZKN-VIFPVBQESA-N 403.486 -0.256 50 20 HBGD CN(C)C(=O)Cn1cc(NC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cn1 756797861 VYKSPCRRIRGMGO-UHFFFAOYSA-N 415.458 -0.169 50 20 HBGD CN(c1ccccc1NC(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1)S(C)(=O)=O 757660713 IFNSQTNMWDEOKU-JTQLQIEISA-N 404.470 -0.330 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2 758044356 LZRCAYOCHOBUNR-IWERZKIRSA-N 414.528 -0.206 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2c(F)cc(F)cc2F)n(C)c1=O 766638028 WSLHBEGUYHJUGZ-UHFFFAOYSA-N 410.312 -0.688 50 20 HBGD CC(C)NS(=O)(=O)c1ccc(NNC(=O)NC[C@@H]2CCCS2(=O)=O)nc1 767172920 LTBALUWQVZPZPH-NSHDSACASA-N 405.502 -0.028 50 20 HBGD CC(C)(C)OC(=O)N1CC(C)(OCC(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 782672810 SGAMLHUODZFYOZ-LLVKDONJSA-N 420.488 -0.470 50 20 HBGD CCS(=O)(=O)NCCNC(=O)NNC(=O)CNC(=O)OCc1ccccc1 792834319 XMJCTTZZXGJZCZ-UHFFFAOYSA-N 401.445 -0.818 50 20 HBGD NS(=O)(=O)N1CCC[C@@H](C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)C1 816916109 VURQPLVRWVCKGS-LLVKDONJSA-N 417.513 -0.514 50 20 HBGD COCCO[C@H]1COCC[C@@H]1NC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1 1320740116 SNZMFIAHFUUEHP-GJZGRUSLSA-N 415.468 -0.145 50 20 HBGD CN(C)N(C(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1)[C@H]1CCS(=O)(=O)C1 1324347819 CPNJEPMCZBYPDZ-AWEZNQCLSA-N 419.525 -0.595 50 20 HBGD Cn1ccnc(NNC(=O)[C@@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)c1=O 1331750265 VOVPSTGWBHJBHZ-AWEZNQCLSA-N 411.422 -0.227 50 20 HBGD O=C(CCBr)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21 1786406121 SNKNZAGSFATCMW-SRVKXCTJSA-N 401.265 -0.562 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CCl)C[C@@H]21)c1nc2ccccn2n1 1787261529 HBSNKVZEUYWVLG-FQUUOJAGSA-N 407.858 -0.078 50 20 HBGD Cc1nc[nH]c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791291415 UFYZVNWYVUQZNF-KKUMJFAQSA-N 406.487 -0.316 50 20 HBGD Cc1nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)c(=O)[nH]c1C 1796190815 OGUFIKGMFMKILE-BJWYYQGGSA-N 424.266 -0.368 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)nc2cccnn12)[C@@H](O)CCl 1799187943 LUAJEAQWWKMWDM-OPDFLTKYSA-N 405.842 -0.059 50 20 HBGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCNC1=N)C2 1800756210 HMPRCTBPECGNAA-KQXIARHKSA-N 402.293 -0.801 50 20 HBGD CC(=O)N[C@@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCC(=O)NN(C)C)CC2 1825228727 BIKDLLYNSIZLAV-JQWIXIFHSA-N 424.527 -0.047 50 20 HBGD O=C(C1CC(O)C1)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1830585981 MSXOKSIVHKRCGZ-UFDFEIGVSA-N 409.252 -0.096 50 20 HBGD CN1CCC(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)CC1 1830720082 SHXGCOVXUKOKKS-LPHOPBHVSA-N 417.934 -0.226 50 20 HBGD CCn1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)n1 1830726135 WARLOPYWQSAEAE-RHSMWYFYSA-N 400.863 -0.427 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@@H]3F)C2)C1 1837455636 BICNYXJSUODIBF-WTANOLMUSA-N 421.429 -0.887 50 20 HBGD CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CCl 1847559687 JTMJNQWMOLNDTN-ZDEQEGDKSA-N 405.879 -0.327 50 20 HBGD NC(=O)NCC(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 25511770 KUUXVTMHNGSLGE-UHFFFAOYSA-N 405.436 -0.406 50 20 HBGD O=C(CNS(=O)(=O)c1cccs1)NNC(=O)c1ccc(-n2cnnn2)cc1 106252368 HGPNSSZYYQBTJD-UHFFFAOYSA-N 407.437 -0.537 50 20 HBGD C[C@@H](C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1)N1CCN(C)CC1 725877783 KUCPJPRKRKJPRL-SFHVURJKSA-N 402.543 -0.018 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 729274802 DHKXLSJHNZCNSE-UKRRQHHQSA-N 410.496 -0.447 50 20 HBGD COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1cn(CC(N)=O)nn1 745466469 AOEMWHDPHRFKPX-UHFFFAOYSA-N 410.774 -0.957 50 20 HBGD CS(=O)(=O)CC1(CC(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1 746821257 GWYDAEMZBKWYEU-UHFFFAOYSA-N 402.498 -0.044 50 20 HBGD CC(=O)NC[C@@H]1CCn2ncc(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)c2C1 753290716 FHAWJPSQUVCVNB-GFCCVEGCSA-N 408.459 -0.133 50 20 HBGD Cc1c(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cccc1S(N)(=O)=O 753889811 VQPMQPUKZPFAKT-UHFFFAOYSA-N 415.431 -0.036 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cnccc1-c1ccccc1 760276204 ACPQDPAXQSUNHY-NSHDSACASA-N 405.436 -0.228 50 20 HBGD CNC(=O)Cn1nc(NC(=O)C(=O)NNC(=O)COc2ccc(C)cc2)cc1C 763809813 PYZALFAOQARVRI-UHFFFAOYSA-N 402.411 -0.589 50 20 HBGD CSc1ccc(C)c(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 765731792 SBRSMCWHPDVSCV-UHFFFAOYSA-N 416.463 -0.075 50 20 HBGD COc1ccc(NCC(=O)NNC(=O)CNS(=O)(=O)c2c(C)noc2C)cc1 768159249 LDCWXBOXXOPYFR-UHFFFAOYSA-N 411.440 -0.162 50 20 HBGD Cc1ccc(C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)c(O)c1 770993410 XGIPISQJBVKDAL-LLVKDONJSA-N 420.447 -0.072 50 20 HBGD O=C(COC(=O)[C@@]12CCC(=O)N1CCS2)NNC(=O)c1cccc([N+](=O)[O-])c1 916532017 AAFRGQHENRFWND-INIZCTEOSA-N 408.392 -0.036 50 20 HBGD CN(C)C(=O)CCN1CCC(NC(=O)NNC(=O)CNC(=O)c2ccco2)CC1 1318341931 ZDZCELNQMSNOQW-UHFFFAOYSA-N 408.459 -0.718 50 20 HBGD C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 1333673728 ZCTVURZQHURYIT-HKSFMPNISA-N 415.240 -0.223 50 20 HBGD C[C@@H](C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2)N1CCN(C)CC1 1781097369 KLBKSBMPMYTVKT-RLFYNMQTSA-N 402.923 -0.948 50 20 HBGD C[C@@H](Br)C(=O)N1CC[C@]2(CN(C(=O)CN3CC(=O)NC3=O)CCO2)C1 1783530005 QRDULMQLWQKSAQ-BMIGLBTASA-N 417.260 -0.849 50 20 HBGD C[C@H](Cn1cncn1)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783934660 KDIAFKYVZDHBQI-DNVCBOLYSA-N 421.502 -0.883 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCOCC3)C[C@@H]21)[C@H](F)Br 1789922051 BAMHNAJFCOUAAC-ABHRYQDASA-N 422.295 -0.011 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3nccn3)C[C@@H]21)[C@H](F)Br 1789923337 GNMDYDWLJWSMFI-ZPFDUUQYSA-N 404.240 -0.052 50 20 HBGD CC(=O)NCC(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1 1796188058 YZEDFDKXWSPELI-BCDXTJNWSA-N 415.299 -0.220 50 20 HBGD CNC(=S)NCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)Br)C2 1797759740 GGOSUBCCSRVUMQ-KQXIARHKSA-N 421.361 -0.157 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(=O)n1O)C2)[C@H](F)Br 1799347011 CJEJWVMOOQFURT-FQPOAREZSA-N 418.219 -0.021 50 20 HBGD CC(C)(C)OC(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2 1800673911 DJWVBISVVZXLQM-OPDFLTKYSA-N 405.879 -0.300 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(O)cn1)C2 1801009482 LOVQMJDJTWSYAI-IVWMJMPLSA-N 405.455 -0.637 50 20 HBGD C[C@H](NC=O)C(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1808361769 PPHMKJSCFWDKCH-UCLAIMLFSA-N 424.266 -0.785 50 20 HBGD CN(CC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](O)CCl)n[nH]1)C(=O)C(=O)O 1814875353 WLFGIKLKQFWVJL-QWRGUYRKSA-N 415.834 -0.456 50 20 HBGD O=C(CC[C@@H]1CCOC1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830738125 LXZBORQWXQYCDJ-VKJFTORMSA-N 404.891 -0.141 50 20 HBGD C[C@](Cl)(CCl)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=N)N)CCO2)C1 1835574149 GFKPIUUHADBQPI-GJZGRUSLSA-N 410.302 -0.838 50 20 HBGD CO/C=C(\C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840184537 SMPHMLUHULOCAD-FERCGXDMSA-N 412.487 -0.634 50 20 HBGD CC(C)c1nc(CC(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)no1 1841996468 BYGHYWHARKXQCO-UHFFFAOYSA-N 412.255 -0.068 50 20 HBGD CC[C@@H](Br)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@H]1NC(=O)NC1=O 1848132739 RYNMOUDIMPUFDS-ZNSHCXBVSA-N 401.261 -0.040 50 20 HBGD CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)CN(C)C)CC2)cc1 727761479 HWCZNWVRWJQPIG-UHFFFAOYSA-N 410.496 -0.001 50 20 HBGD O=C(NNC(=O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O)[C@@H]1CCS(=O)(=O)C1 730518993 SYERGRXRMSFJMJ-DGCLKSJQSA-N 423.447 -0.607 50 20 HBGD COc1cc(OC)c(OC)cc1C=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O 730568842 FBHCLZZNVMDCTD-UHFFFAOYSA-N 423.451 -0.253 50 20 HBGD O=C(CNC(=O)c1cccs1)NNC(=O)CN1CCN(c2ccccn2)CC1 743329139 QILIGEZFGADESU-UHFFFAOYSA-N 402.480 -0.158 50 20 HBGD C[C@@]1(C2CC2)NC(=O)N(CC(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)C1=O 743831269 UPZURRCEKFHLGC-KRWDZBQOSA-N 423.451 -0.037 50 20 HBGD C[C@H](C(=O)NNC(=O)COc1ccc(C#N)cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 746094948 VXEOABXTGXYDHT-WLHCIVTGSA-N 412.402 -0.365 50 20 HBGD Cn1c(=NNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)sc2ccccc21 749353685 QNLLOVJAXCZNPT-UHFFFAOYSA-N 412.541 -0.068 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(N2C[C@H]3CC[C@H]2C3)cc1 756154421 CHLSPUNEXOJHBI-XUJVJEKNSA-N 423.495 -0.301 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)CCC(=O)c1ccc2c(c1)OCCCO2 758028261 CUYVBVMXRMFHSC-LLVKDONJSA-N 413.452 -0.104 50 20 HBGD Cc1cc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc(S(=O)(=O)N(C)C)c1C 758044627 MGVIKTLDVZOTOS-LLVKDONJSA-N 420.513 -0.748 50 20 HBGD CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NNC(=O)c1ccccn1 763464958 ZBPNZDSVYFMIEI-UHFFFAOYSA-N 417.447 -0.318 50 20 HBGD CC(C)CCNS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)CN(C)C)cc1 764203925 MMEPFHQYPMOBIJ-UHFFFAOYSA-N 413.500 -0.342 50 20 HBGD O=C(NNC(=O)[C@@H]1COCCO1)C(=O)Nc1cccc(NC(=O)c2ccncc2)c1 764424235 GUGCOXZZTOHSBX-HNNXBMFYSA-N 413.390 -0.165 50 20 HBGD COCCCS(=O)(=O)N1CCN(CC(=O)NNC(=O)c2cccc(C#N)c2)CC1 770253024 LFGPPIJNJIZNGK-UHFFFAOYSA-N 423.495 -0.697 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@H](O)[C@H](O)c1nc2ccccc2s1 779510683 MBAZVVWZHNLRCL-KGLIPLIRSA-N 404.404 -0.139 50 20 HBGD C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NNc1nc2ccccn2n1 791259603 XLKDFLAVRCNURI-JTQLQIEISA-N 403.424 -0.362 50 20 HBGD CN1CCN(C(=O)NNC(=O)CN2CCN(C(=O)OCc3ccccc3)CC2)CC1 807383083 JTVKXOLWIIPEPD-UHFFFAOYSA-N 418.498 -0.071 50 20 HBGD CC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1c(C)nn(CCS(C)(=O)=O)c1C 1319360437 HCDDHHKEODDNMQ-ZDUSSCGKSA-N 419.529 -0.245 50 20 HBGD C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1778970343 YTCHNVXBACXIPI-UWJYYQICSA-N 416.283 -0.617 50 20 HBGD CCN(C)[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779036816 GFUKNUVTYUFDDK-VLIAUNLRSA-N 418.498 -0.531 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(CCN(C(=O)c3cnn4c3CCC4)C2)C1 1782313879 LOOAXPZQAOCIOD-NRFANRHFSA-N 424.266 -0.734 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1ccncc1)CCO2 1783935581 VYTKYFGFCHBAFO-HXUWFJFHSA-N 403.483 -0.173 50 20 HBGD CC(C)n1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)n1 1796635135 LMOAFUZEHQLMAD-XOIINTDNSA-N 421.502 -0.565 50 20 HBGD C[C@H](CBr)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)C1 1800522011 QYLHWOYGTGCJFZ-GHMOJZLGSA-N 402.289 -0.257 50 20 HBGD C[C@H](CN)C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807370358 BJPRQAHNFDWJSH-DKSSEZFCSA-N 410.283 -0.324 50 20 HBGD Cn1cnc(C(=O)N2CCCC3(CCN(C(=O)c4cccc(B(O)O)c4)CC3)C2)n1 1807998309 CBRLLXBYVDUYGX-UHFFFAOYSA-N 411.271 -0.347 50 20 HBGD CNC(=O)CC(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815335646 ITRWPAZYMBHNQG-LBPRGKRZSA-N 416.268 -0.815 50 20 HBGD C[C@H](NC=O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1830327255 UKJMJNLAKIJHAY-HNAYVOBHSA-N 415.299 -0.266 50 20 HBGD COC(OC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1831039136 ZGGRVWGDARFKCH-YGRLFVJLSA-N 413.240 -0.248 50 20 HBGD C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1)N1C[C@H]2C[C@H]2C1 1837279099 NIYOOMHEEFRCKE-RUEZSYAVSA-N 415.918 -0.617 50 20 HBGD Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)n[nH]1 1837583400 RAKULBLXJWERDA-PBHICJAKSA-N 400.863 -0.683 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCOCC3)C2)C1 1839143601 BLNFDQNAWADJJF-YJBOKZPZSA-N 403.907 -0.208 50 20 HBGD O=C(CNC(=O)C(F)(F)F)N1CCO[C@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1840202684 DYVIFKDUPLFGSK-ZWNOBZJWSA-N 419.759 -0.344 50 20 HBGD COC(=O)CSCC(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843010397 LVDGFDFWQCMHJD-UHFFFAOYSA-N 406.269 -0.910 50 20 HBGD NS(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 18994899 PUVCVTRLZKKOEP-CQSZACIVSA-N 413.433 -0.517 50 20 HBGD Cc1cc(C)n(CC(=O)NNC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)n1 726382601 WXOFJWYSNQSHDN-UHFFFAOYSA-N 407.452 -0.344 50 20 HBGD CNC(=O)c1ccc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cn1 728678206 POATXANXWOTWGG-HNNXBMFYSA-N 414.374 -0.415 50 20 HBGD COCCOC(=O)c1c(C)[nH]c(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1C 729274241 HIAQQWZHRVRSJC-JTQLQIEISA-N 404.445 -0.867 50 20 HBGD O=C(CNC(=O)N1CCc2ccccc2C1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 735039919 HGBNZZPWKSXXHE-CQSZACIVSA-N 409.468 -0.728 50 20 HBGD Cc1ccc(S(=O)(=O)NCCN2CCN(CC(=O)NNC(=O)C3CC3)CC2)cc1 741791337 PYZZAGFBXZCDBB-UHFFFAOYSA-N 423.539 -0.552 50 20 HBGD Cc1ncsc1C(=O)NNC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 746222749 COODFZUARQDLTH-SNVBAGLBSA-N 423.476 -0.087 50 20 HBGD O=C(NCCN1CCN(c2ccc(F)cc2)CC1)NNC(=O)C(=O)N1CCCC1 748452711 FUGLXSBEFGIDKK-UHFFFAOYSA-N 406.462 -0.100 50 20 HBGD Cc1ccccc1CC(=O)NNC(=O)COC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 748497895 RLGLFBASUFSZGM-UHFFFAOYSA-N 402.363 -0.002 50 20 HBGD CNS(=O)(=O)c1cc(C(=O)NNC(=O)CCN2C[C@H](C)O[C@H](C)C2)c(C)o1 751364451 OIEVGHJUBXXDOE-PHIMTYICSA-N 402.473 -0.244 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1nc(CN2CCOCC2)cs1 755456461 WGUYEUJZYNYQCH-VIFPVBQESA-N 406.490 -0.934 50 20 HBGD C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OCC(=O)NNC(=O)c1cccs1 756747574 IBIRTHQNUWAFTC-VIFPVBQESA-N 415.453 -0.847 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C[C@@H]1CSCCN1C(=O)OC(C)(C)C 758043612 IQWCDQZYHNHEBO-GHMZBOCLSA-N 424.545 -0.186 50 20 HBGD Cn1nnnc1SCCC(=O)N1CCN(S(=O)(=O)CBr)CC1 758527101 GRRKHQZVJMJRIH-UHFFFAOYSA-N 413.323 -0.481 50 20 HBGD COC(=O)c1ccc(NNC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)nc1 759728945 MZKMQKIJKCKQJQ-UHFFFAOYSA-N 423.451 -0.016 50 20 HBGD COCC(=O)N(C)CC(=O)NNC(=O)c1cc(-c2ccc(OC)c(OC)c2)[nH]n1 760173307 QSSJLKPAJWDKAP-UHFFFAOYSA-N 405.411 -0.040 50 20 HBGD COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2cccc(-n3cnnn3)c2)cc1 763658832 DNQCHRSCCHXMSC-UHFFFAOYSA-N 411.378 -0.164 50 20 HBGD CC[C@H](C)Oc1cccc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 764228055 UGSAYFGBOGGQGC-WDEREUQCSA-N 400.457 -0.113 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(OC(F)F)c(F)c1 764230386 HOVGRAREWGTTRK-ZCFIWIBFSA-N 412.346 -0.549 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1cccc(-c2nccs2)c1 764230720 KIIKGDLZQDUUMV-SECBINFHSA-N 411.465 -0.166 50 20 HBGD CCCNC(=O)[C@@H]1CN(C(=O)C(=O)NNC(=O)c2cnn(C)c2)c2ccccc2O1 764358926 KNDQYIBWSSSKFX-HNNXBMFYSA-N 414.422 -0.499 50 20 HBGD CN1CCO[C@H](C(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)C1 766664803 UUNFEJZOUJBGHX-KRWDZBQOSA-N 409.918 -0.064 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Cc2ccc(Cl)s2)n(C)c1=O 801165031 LDGVZLGGZKIVLP-UHFFFAOYSA-N 410.843 -0.461 50 20 HBGD O=C(COC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)NNC(=O)c1ccccc1 914651018 AYNLKEXAOFRDGE-KGLIPLIRSA-N 423.447 -0.974 50 20 HBGD Cc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)n(C)n1 1783936831 VJUODBCXCDTVSA-IBGZPJMESA-N 406.487 -0.455 50 20 HBGD Cc1cn(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](F)Cl)CCO3)c(=O)nc1O 1785351533 SXCUNOXAKOXJTM-LRDDRELGSA-N 402.810 -0.378 50 20 HBGD CN[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21)C(=O)O 1786897552 LYFZGAXITYISDS-XPORZQOISA-N 424.267 -0.281 50 20 HBGD N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(B(O)O)c4)[C@H]3C2)CCC1 1786986748 DMXBVBPWDWXPIT-SZMVWBNQSA-N 411.267 -0.346 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccncc3O)C[C@@H]21 1791291129 NDHSJUQFNJDZPU-QRTARXTBSA-N 419.482 -0.247 50 20 HBGD CN1CCCC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(B(O)O)c1 1795737810 VKPKYDWSPJTTEU-NBMJBFSESA-N 415.299 -0.946 50 20 HBGD CCOC(=O)N[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCBr)C2 1797586257 QQXMNTOWKJERTC-IQOUGMIPSA-N 422.276 -0.575 50 20 HBGD CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801012442 GJGSJXQNWHKADB-ZXFNITATSA-N 411.503 -0.250 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H](CNC(=O)CNC(N)=O)[C@@H]1c1cccnc1 1814229812 DPPWGBCOURCHCG-KDOFPFPSSA-N 419.486 -0.871 50 20 HBGD COC[C@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccc(C)n3)CCO2)C1 1833094080 JDCNCIBXVJIXAU-MAUKXSAKSA-N 414.890 -0.098 50 20 HBGD N#CCCC(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834797939 NVMXTPVVNWMDKP-UHFFFAOYSA-N 412.299 -0.145 50 20 HBGD O=C(CN(CCO)CCO)N1CCC(OC2CCN(C(=O)[C@@H](F)Cl)CC2)CC1 1838085220 ZPQIHKIQKAISHM-QGZVFWFLSA-N 423.913 -0.194 50 20 HBGD CC(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839202941 UREUHXIMSUHQCJ-OCCSQVGLSA-N 410.240 -0.731 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccnc3)C2)C1 1840150449 MJSHXCDHNPDVCA-RHSMWYFYSA-N 400.863 -0.407 50 20 HBGD C[C@H](Br)C(=O)N1CCOC[C@]2(CN(C(=O)C3CN(C)C3)CCO2)C1 1840572299 RKBXTULHFPAWPE-BLLLJJGKSA-N 404.305 -0.212 50 20 HBGD C[C@H](C(=O)NC1CC1)N1CCN(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 28750452 XYVDAJYKBAPGEG-CYBMUJFWSA-N 418.454 -0.360 50 20 HBGD Cc1nc(S(=O)(=O)NCC(=O)NNC(=O)c2ccc(Cl)cc2O)cn1C 725888568 PYORDVSIIPKBIA-UHFFFAOYSA-N 401.832 -0.173 50 20 HBGD O=C(COC(=O)Cc1nc2ncccn2n1)NNC(=O)[C@@H]1COc2ccccc2O1 728328889 YNQXVWJYPIQCQZ-ZDUSSCGKSA-N 412.362 -0.803 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cccc(OC(F)F)c2)n(C)c1=O 728488180 NFSYUFWDEJZCAG-UHFFFAOYSA-N 422.348 -0.504 50 20 HBGD C[C@H]1CN(CCC(=O)NNC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)C[C@@H](C)O1 732261903 OYTSJGZIPZASEL-JKIFEVAISA-N 416.482 -0.247 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)NCc2ccc(Cl)cc2)n(C)c1=O 733004696 QIXMXWRDJBCVRT-UHFFFAOYSA-N 419.829 -0.382 50 20 HBGD CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 736072735 RHBAYAFMDHYJCB-AVGNSLFASA-N 403.505 -0.276 50 20 HBGD CC(=O)N1CCN(C(=O)CCNC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1 737064485 GZYNZRJOAKAYPU-UHFFFAOYSA-N 406.399 -0.380 50 20 HBGD Cn1nnc2cc(C(=O)NNC(=O)CN3CCN(C(=O)c4ccccc4)CC3)cnc21 755518349 XDRSXQDOQZZUIE-UHFFFAOYSA-N 422.449 -0.418 50 20 HBGD Cc1csc(CC(=O)NNC(=O)COC(=O)[C@@H]2CCCN2S(C)(=O)=O)n1 761660332 KYDYGHPLVWOWFZ-JTQLQIEISA-N 404.470 -0.891 50 20 HBGD Cc1cccc(Cn2nccc2NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 764230313 HDRJXXOVUXNNMF-GFCCVEGCSA-N 422.467 -0.737 50 20 HBGD Cc1ccc(CN2CCN(CC(=O)NNS(=O)(=O)c3ccnn3C)CC2)cc1 765126671 LQFBDJFYKLBWKM-UHFFFAOYSA-N 406.512 -0.144 50 20 HBGD CNS(=O)(=O)CCNC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 784667310 HIAMMKCBJLRVAQ-UHFFFAOYSA-N 412.516 -0.922 50 20 HBGD O=C(COC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)NNC(=O)c1ccccc1 785657830 NZJQCFDEKYWEOK-INIZCTEOSA-N 418.450 -0.829 50 20 HBGD O=C(NCCNS(=O)(=O)c1ccc(F)cc1Cl)NNC(=O)C(=O)NC1CC1 802433842 WOCKIZNATSPYBJ-UHFFFAOYSA-N 421.838 -0.634 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCCCn3ccnc3)nc2)CC1 915880766 YOVLTHBWHDPYEI-UHFFFAOYSA-N 422.515 -0.069 50 20 HBGD Cc1cc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)nc2c1c(=O)n(C)c(=O)n2C 1252004946 PGCVBRZPKYQUBJ-NSHDSACASA-N 409.468 -0.953 50 20 HBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(B(O)O)c1)C2)c1cnoc1 1778164583 YATPMVUMPSRSSP-YLJYHZDGSA-N 413.239 -0.204 50 20 HBGD C[C@H](NC(=O)c1ccccn1)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1782667258 TXNHEGTUMZPKFC-RFUYNDQBSA-N 424.885 -0.371 50 20 HBGD CC(C)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)N3CCOCC3)C[C@@H]21 1783852151 PGUFFVYOXKSSEY-VGWMRTNUSA-N 417.934 -0.118 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccc(O)nn3)C[C@@H]21)[C@@H](O)CCl 1784094967 XNCBHRZZESUIDV-MXAVVETBSA-N 412.874 -0.306 50 20 HBGD CC(C)(CCl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CNC3=O)[C@H]2C1 1784948914 HDBUQTNLNGAICF-AVGNSLFASA-N 414.890 -0.217 50 20 HBGD COC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1cccnc1 1793957002 HGDCJDHEOOHJHI-IVSAIRAKSA-N 424.885 -0.345 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C13CC(F)(C1)C3)C2)c1ccc(B(O)O)cc1 1795732833 MFQFLTCYWSCQNX-KYNXIJSSSA-N 402.231 -0.538 50 20 HBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCCC1=O 1795891156 YEPQDTMNPPVBDK-BTTYYORXSA-N 414.466 -0.441 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnc(Cl)n1)C2 1801011818 IBMZWRVAEMYZQZ-DRXBFXEBSA-N 424.889 -0.294 50 20 HBGD Cn1ncnc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1 1816301732 VYEVNVNAAIFFSO-HNNXBMFYSA-N 423.242 -0.162 50 20 HBGD O=C(O)C#CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(B(O)O)c2)n[nH]1 1817478906 CWESONGNRWVDKX-OAHLLOKOSA-N 410.195 -0.517 50 20 HBGD C[C@@H](CBr)C(=O)N1CCO[C@]2(COCCN(C(=O)COCCO)C2)C1 1830543701 ZELMISOESLENRO-BBRMVZONSA-N 423.304 -0.517 50 20 HBGD CN1N=C(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(Cl)Cl)C3)C2)CCC1=O 1832379735 BOCHEXPWXWSXMB-INIZCTEOSA-N 421.281 -0.145 50 20 HBGD Cc1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)cnn1C 1834420717 RCFWXJZIMKYYKR-YOEHRIQHSA-N 400.863 -0.602 50 20 HBGD Cn1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)n1 1836055394 JJAQRZFTXJYTNP-WMLDXEAASA-N 400.863 -0.981 50 20 HBGD CC[C@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(=S)NC)CCO2)C1 1837467196 ZHTKHUZLKZRHLT-GUYCJALGSA-N 420.963 -0.056 50 20 HBGD COCC(=O)N1CCC(OC2CCN(C(=O)c3cnccc3C(=O)NN)CC2)CC1 1837698015 WDWYHLVULXFHLG-UHFFFAOYSA-N 419.482 -0.056 50 20 HBGD C/C=C(/C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(B(O)O)c3)C2)C1 1839823676 COIVEBOVEQXMFJ-WIJZHZITSA-N 402.256 -0.597 50 20 HBGD Cc1nn[nH]c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Br)CCO2 1840032350 VXGDRGMSLAIKKZ-BONVTDFDSA-N 416.276 -0.033 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 1840155558 AMVIMCGGMLRYLR-JSEZXORMSA-N 402.875 -0.411 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CC1)CCO2 1840636094 HPOZSHGMUKTWRQ-IBGZPJMESA-N 403.439 -0.835 50 20 HBGD Cc1csc(CC(=O)NNC(=O)CN2CCN(C(=O)CN3CCCC3)CC2)n1 728576277 PKZYDFIITCXHST-UHFFFAOYSA-N 408.528 -0.619 50 20 HBGD COc1ccc(C(=O)NNC(=O)CNC(=O)CNC(C)=O)cc1Br 732175006 GBSJSXHPDIPCJK-UHFFFAOYSA-N 401.217 -0.529 50 20 HBGD CC(CN1Cc2ccccc2C1=O)=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O 754924608 XCRMJHOLPLXMOP-UHFFFAOYSA-N 416.463 -0.281 50 20 HBGD Cc1nnnn1-c1cccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1 763573218 QQHPGFKWEYQQIJ-MRXNPFEDSA-N 423.389 -0.103 50 20 HBGD CCOc1cc(NC(=O)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)ccc1OC 764227392 NSDLZBOYUDFCDS-SECBINFHSA-N 402.429 -0.883 50 20 HBGD Cc1nc(S(=O)(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cn1C 765118023 IDTIKELCNNIVSP-UHFFFAOYSA-N 420.495 -0.504 50 20 HBGD CCC(CC)NC(=O)C(=O)NNC(=O)CCC(=O)N1CCN(c2ncccn2)CC1 765638795 QPDXFJPZGXFLOZ-UHFFFAOYSA-N 419.486 -0.642 50 20 HBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)Cn2ncn(C)c2=O)c1 778521886 LKMGMAANJPAHFJ-UHFFFAOYSA-N 410.456 -0.927 50 20 HBGD C[C@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)C[C@H](C)O1 782410489 BUSXNXKGNIOGIL-QWRGUYRKSA-N 420.351 -0.360 50 20 HBGD CCc1nc2ccccc2n1CC(=O)NNC(=O)CN1CCN(CC)C(=O)C1=O 916133246 ZVMQHDGZXXHZLI-UHFFFAOYSA-N 400.439 -0.563 50 20 HBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCCCN1C(=O)CCC1=O 1318327108 NBDZUXJQYUCEMR-UHFFFAOYSA-N 424.483 -0.229 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)Cc2nc3ncccn3n2)c1 1319226515 BLUIAAUORXGZOW-UHFFFAOYSA-N 403.424 -0.622 50 20 HBGD O=C(NNC(=O)c1csc(N2CCOCC2)n1)c1cn(C2CCOCC2)nn1 1327648101 WIULCAXIGYYLBW-UHFFFAOYSA-N 407.456 -0.003 50 20 HBGD CCC1(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnccc4C(=O)NN)C3)C2)COC1 1779036898 IFIZBJIONROZNR-HXUWFJFHSA-N 417.466 -0.445 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)C(=O)c1ccco1)CCO2 1783933200 DYOXKAYEOQUFLI-LJQANCHMSA-N 406.439 -0.335 50 20 HBGD Cc1nnc(CC(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)s1 1783933903 LTNIANDYAUBSSP-GOSISDBHSA-N 424.527 -0.408 50 20 HBGD CCOC(=O)C1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(B(O)O)c2)CC1 1796193115 LUMFNMCWBMSZFM-BJWYYQGGSA-N 414.267 -0.039 50 20 HBGD CC(C)O[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1797861182 WNPGHNVUXLAOAL-SCNOPHJPSA-N 404.272 -0.617 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[C@@H]1CCCSC1 1802052339 WDEVUQHFHCKKOJ-XLMAVXFVSA-N 418.324 -0.287 50 20 HBGD CNC(=O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)CBr)CCO2 1830533897 UEHNEDBXBORYFF-WBMJQRKESA-N 420.304 -0.390 50 20 HBGD N[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2)c1ccccn1 1830722484 CHHIQUHXHTZFHP-MPGHIAIKSA-N 412.874 -0.863 50 20 HBGD O=C(Cc1ccccc1O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830735245 DXHRMPFCMXWEII-APWZRJJASA-N 412.870 -0.009 50 20 HBGD CC[C@@H](NC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CCl)CC2)CC1 1835052502 BNZSMUWVKJFJCJ-CABCVRRESA-N 417.938 -0.395 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC3(F)F)C2)C1 1835937472 YQLKCHHAXITDNR-MAUKXSAKSA-N 424.209 -0.908 50 20 HBGD O=C(c1cn2cccnc2n1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1836883652 RTHXYHBFZPJFBI-KSSFIOAISA-N 423.857 -0.601 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccn3)C2)C1 1840183487 HMSUDESXABMSQC-HXUWFJFHSA-N 419.482 -0.475 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Cl)C2)C1 1840184134 UWSUHVHFHPWHPX-GOEBONIOSA-N 408.858 -0.650 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC2(CCCN2C(=O)CN2CCN(C(C)=O)CC2)C1 1843974811 XYUPHUIFTZYFCS-OAHLLOKOSA-N 400.907 -0.392 50 20 HBGD C[C@H](C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1)n1ccccc1=O 1844264517 APRFXHXFRORNET-CQSZACIVSA-N 424.461 -0.075 50 20 HBGD CCC[C@H](NC(C)=O)C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1847008548 BNQAOHLPWVEKRG-INIZCTEOSA-N 416.482 -0.193 50 20 HBGD COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNC(=O)c3cnn(C)c3)C2=O)cc1 735443995 NJTFIRHOWRYGSG-GOSISDBHSA-N 400.395 -0.343 50 20 HBGD CN1CC[C@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C1=O 739064865 UZQHHZPLXXKNNC-AWEZNQCLSA-N 409.468 -0.354 50 20 HBGD CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc(CCNS(C)(=O)=O)s1 740851559 LJALWLZWJFZMCZ-UHFFFAOYSA-N 404.514 -0.094 50 20 HBGD CNC(=O)COc1ccc(C(=O)NNC(=O)CNC(=O)c2cccnc2)cc1OC 763815039 QIDHYOBQVVFJHB-UHFFFAOYSA-N 415.406 -0.594 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)Cc2ccc(F)cc2F)n(C)c1=O 765728376 OKINHAWUMVVOKF-UHFFFAOYSA-N 406.349 -0.898 50 20 HBGD CN(C)N(C(=O)Cn1cc(Br)c(O)nc1=O)[C@H]1CCS(=O)(=O)C1 792854979 LOUPGDGGHSUWMI-QMMMGPOBSA-N 409.262 -0.796 50 20 HBGD CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NNC(=O)Cc2ccncc2)cc1 810468531 TYIGVZVWKAITNE-UHFFFAOYSA-N 405.436 -0.292 50 20 HBGD O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NNC(=O)C(=O)NC1CC1 915927597 YYWBZEMKBDXFBD-UHFFFAOYSA-N 423.495 -0.030 50 20 HBGD Cn1c(=O)c2cc(C(=O)NNC(=O)NCCc3cccs3)n(C)c2n(C)c1=O 920862143 VISRCJKFVAJBNM-UHFFFAOYSA-N 404.452 -0.176 50 20 HBGD C[C@H](C(=O)NNC(=O)c1n[nH]c2c1CCCC2)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 1322222743 LGFWMTHBJLSUGR-LXOGICJWSA-N 401.423 -0.400 50 20 HBGD CNS(=O)(=O)N1CCC(C(=O)NNC(=O)Cc2nc3ccccc3n2C)CC1 1324622138 UIUVBUZMLNIOLW-UHFFFAOYSA-N 408.484 -0.561 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cn[nH]c1)C2 1782211888 DMKCKNGIYMFWAZ-DNVCBOLYSA-N 406.487 -0.090 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(CO)o3)[C@H]2C1 1788904425 CEWJLFGQUHBHLW-QRTARXTBSA-N 422.482 -0.262 50 20 HBGD CC(=O)Nc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)CCl)n1 1792975050 IDNBBOBEAWYLHK-FAXLKDOZSA-N 410.858 -0.157 50 20 HBGD Cc1nc2ncccn2c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCl 1792978547 ZYJGKUSGFRZFQS-CRWXNKLISA-N 407.858 -0.159 50 20 HBGD Cc1cc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cccc(B(O)O)c2)C3)nn1C 1793298285 ZLFOYHRMTPKARL-GGPHIMKMSA-N 410.283 -0.097 50 20 HBGD CC(C)(C#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1C(=O)NN 1797748118 IUVLDBGUDVUKRH-JJLQDPRZSA-N 400.439 -0.562 50 20 HBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nccnc1C(N)=O 1798357944 VDLYHMPEYRUQLQ-WRWGMCAJSA-N 411.846 -0.968 50 20 HBGD CC[C@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc(C)c(O)nc1=O 1801971141 GUNYVYFCETURRQ-XFMPKHEZSA-N 412.874 -0.136 50 20 HBGD CN(CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](O)CCl)n[nH]1)C(=O)C(=O)O 1814875352 WLFGIKLKQFWVJL-MNOVXSKESA-N 415.834 -0.456 50 20 HBGD O=C(COCCO)N[C@@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815343880 UWEMAJSFDGFZEJ-CYBMUJFWSA-N 419.268 -0.942 50 20 HBGD Cn1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)n1 1830722881 IJAWZUJWYXCOPJ-RHSMWYFYSA-N 400.863 -0.981 50 20 HBGD Cn1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)n1 1836055395 JJAQRZFTXJYTNP-YOEHRIQHSA-N 400.863 -0.981 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3csnn3)C2)C1 1840150164 GUJPNICDUAOMRO-IAQYHMDHSA-N 404.876 -0.138 50 20 HBGD Cc1ccc(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c(C)c1OCC(=O)O 728510842 WMEIFUJLZWMKMF-JTQLQIEISA-N 423.469 -0.986 50 20 HBGD CC(C)NS(=O)(=O)c1ccc(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1 729275776 RMECYGGCZLMABE-JTQLQIEISA-N 406.486 -0.928 50 20 HBGD NS(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)COc2ccccc2F)cc1 729508876 CECFDNWVIPENTP-UHFFFAOYSA-N 410.383 -0.362 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCC(C)(C)S(C)(=O)=O)c1 748968929 YMAFQHCEVUGANH-UHFFFAOYSA-N 420.513 -0.296 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cnc(NC(=O)OC(C)(C)C)cn1 758025900 OGQPJVGCMAPNQS-MRVPVSSYSA-N 402.433 -0.478 50 20 HBGD CCOCCS(=O)(=O)NCC(=O)NNc1nc(O)c2cnn(C(C)(C)C)c2n1 770965455 BZLIIYRAQRAPTD-UHFFFAOYSA-N 415.476 -0.314 50 20 HBGD NS(=O)(=O)c1cc(C(=O)NNC(=O)[C@@H]2CCCCS2(=O)=O)ccc1Cl 771885656 SSFQNDWDOCSDPX-JTQLQIEISA-N 409.873 -0.284 50 20 HBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)Cc1cc(F)c(OC)c(S(N)(=O)=O)c1 772015515 HLQAKUQYWNNDHM-QMMMGPOBSA-N 405.404 -0.487 50 20 HBGD CS(=O)(=O)Nc1ccc(OCCNC(=O)NNC(=O)[C@@H]2COCCO2)cc1 773594559 NUNANSWBSXABPG-ZDUSSCGKSA-N 402.429 -0.817 50 20 HBGD CC(=NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc2nc(O)oc2c1 794920632 QXRWNBBHYWUJOK-UHFFFAOYSA-N 411.378 -0.179 50 20 HBGD CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)NNC(=O)CNC(=O)c1ccco1 799912263 UHMZBBNPYBVZAG-MNOVXSKESA-N 401.445 -0.942 50 20 HBGD CN1C(=O)CC[C@H]1C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 806306716 SJUNUOAHWQFRJP-AWEZNQCLSA-N 410.452 -0.911 50 20 HBGD CNS(=O)(=O)c1cc(NC(=O)NNC(=O)[C@@H]2CCc3nncn3C2)ccc1C 814516033 DDNUNAVTEUACBM-LLVKDONJSA-N 407.456 -0.090 50 20 HBGD O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NNC(=O)c1ccc(-n2cnnn2)cc1 913155444 OCUMFOZBSXATOP-GVAFMPQTSA-N 407.390 -0.770 50 20 HBGD Cc1nc2ccccn2c1C(=O)NNC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 914531064 IMBHTKRVOQLEHJ-UHFFFAOYSA-N 409.472 -0.579 50 20 HBGD CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NCCNS(=O)(=O)CC)nc1 916516714 POSACSIKONTSON-UHFFFAOYSA-N 422.533 -0.323 50 20 HBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=S)NCC(=O)N(C)C)c1 918716418 RRJUAPOPJYOQOC-UHFFFAOYSA-N 415.541 -0.086 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCC=CO1)CCO2 1779032282 MQFCGTLYIXVZOL-JXFKEZNVSA-N 415.450 -0.179 50 20 HBGD C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)[C@H](O)CCl)CCO2)C1)N1CCN(C)CC1 1781097362 KLBKSBMPMYTVKT-HDMKZQKVSA-N 402.923 -0.948 50 20 HBGD CC[C@H](Cl)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN(CCO)CCO)C1 1781838992 SHVAQNRWRCIGJO-FRQCXROJSA-N 419.950 -0.196 50 20 HBGD COC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)Br)C2)C1 1783533908 LYIUKNHIYYZKLT-FFSVYQOJSA-N 420.304 -0.249 50 20 HBGD CC[C@H](C)[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1784543924 IHKYXGIBGTXKEJ-SKMQDVENSA-N 418.299 -0.633 50 20 HBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CC(F)(F)C1)C2 1797748276 OJBLLYDCQGZSKY-JJLQDPRZSA-N 423.420 -0.066 50 20 HBGD C[C@@H](CC(N)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CO[Si](C)(C)C)C2)C1 1831609646 QTXCTKLIZBXRSX-KBXCAEBGSA-N 415.563 -0.194 50 20 HBGD Nc1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)cs1 1835789540 MNLGOQAVLYIZPN-ABAIWWIYSA-N 404.876 -0.605 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnc[nH]3)C2)C1 1840152213 BCCKKSUFXPJIMN-WMLDXEAASA-N 400.863 -0.338 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C(\C)NC(C)=O)C2)C1 1840155231 TXSHVBVLVYZDBA-GDOYJWRKSA-N 417.890 -0.264 50 20 HBGD O=C(C1CCC(O)CC1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840273199 ONBILFQQUYAKRP-ZUBZBLCWSA-N 404.891 -0.406 50 20 HBGD CN1CCN(c2ncccc2CNC(=O)NNC(=O)CNC(=O)c2ccco2)CC1 725872525 YHFBKRBTONPNHW-UHFFFAOYSA-N 415.454 -0.313 50 20 HBGD Cc1csc(CC(=O)NNC(=O)COC(=O)CNC(=O)Cc2ccc(O)cc2)n1 728730767 VLTNSVUWQFPVIQ-UHFFFAOYSA-N 420.447 -0.251 50 20 HBGD O=C(Cc1cccnc1)NNC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 729053559 NEIOQLOXNIFYRL-UHFFFAOYSA-N 412.454 -0.517 50 20 HBGD CCNS(=O)(=O)CCNC(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12 731760570 PXIFZISFSMHZLW-UHFFFAOYSA-N 424.483 -0.139 50 20 HBGD Cc1cc(C)cc(OCC(=O)NNC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)c1 742472848 WNJIRFZQRVSZPJ-DTTOXWODSA-N 401.419 -0.008 50 20 HBGD O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NNC(=O)COCc1ccccc1 742694757 NSZWYPUHTQNTLV-KNCCTNLNSA-N 401.419 -0.097 50 20 HBGD O=C(NNC(=O)N1CCOCC1)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 745992931 NVYOVSJFHSKTIS-CQSZACIVSA-N 412.468 -0.170 50 20 HBGD Cn1c(C(=O)NNC(=O)CNC(=O)c2ccco2)cc2c(=O)n3ccccc3nc21 751204550 JAGLMMDOIBPBCO-UHFFFAOYSA-N 408.374 -0.030 50 20 HBGD Cc1ccc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1S(=O)(=O)N(C)C 755394012 PKVADAKPMKWWKS-LLVKDONJSA-N 418.497 -0.167 50 20 HBGD CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)NNC(=O)CO 755440505 CCQZXSORFWLXJK-UHFFFAOYSA-N 402.429 -0.749 50 20 HBGD O=C(Cn1cc(NC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cn1)NC1CCCC1 756795180 OTKXLLHQCCYPRH-LLVKDONJSA-N 412.472 -0.471 50 20 HBGD CN(C)CCCNC(=S)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 764518736 HYIMORYPKIBYRV-UHFFFAOYSA-N 406.556 -0.109 50 20 HBGD COc1cc(NC(=O)NNC(=O)C[C@H](NC(C)=O)C(N)=O)c(OC)cc1Cl 802085076 WYVNQRCTVMIXBU-JTQLQIEISA-N 401.807 -0.110 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CCCC(=O)c1ccc2c(c1)OCCO2 806788186 QFNURMVNXDUESF-NSHDSACASA-N 413.452 -0.104 50 20 HBGD CN(CC(=O)NNc1ccccc1S(=O)(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 817053060 BBPJQWAVZKQINP-LBPRGKRZSA-N 404.514 -0.501 50 20 HBGD Cn1c(=O)c2cc(C(=O)NNC(=O)Cc3nc4ccccc4n3C)n(C)c2n(C)c1=O 919689683 BLVXBPZNOXELHJ-UHFFFAOYSA-N 423.433 -0.534 50 20 HBGD O=C(NNC(=O)c1sccc1S(=O)(=O)C(F)F)N[C@H]1CCS(=O)(=O)C1 1116012191 LYVJAWVZQRLKSI-LURJTMIESA-N 417.437 -0.125 50 20 HBGD CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C2CCS(=O)(=O)CC2)c1 1318768505 QPBMVYYMVKUQEE-UHFFFAOYSA-N 403.482 -0.477 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCCOC1)CCO2 1779035150 AAUHTFCBKWIVOG-JLTOFOAXSA-N 417.466 -0.445 50 20 HBGD NC(=O)[C@@H](N)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C(Cl)Cl)C1 1782215347 SEGPGXLMBNKWNE-LYOVBCGYSA-N 409.314 -0.103 50 20 HBGD O=C1C[C@@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H](O)CCl)C3)CCN1 1782267889 NLEHGPJPHRSSLM-UYAYXHRUSA-N 401.891 -0.374 50 20 HBGD CC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786981920 POJAIRRITCEJED-LLLHUVSDSA-N 408.691 -0.023 50 20 HBGD CCNC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](Cl)COC)[C@H]2C1 1791255518 RVRBGLBUUGBXDY-FQKPHLNHSA-N 418.922 -0.073 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791293358 YVKDUOQPEGDUCE-AJNGGQMLSA-N 418.922 -0.407 50 20 HBGD N[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2)c1ccccn1 1796057714 FENBAPKAADYASD-SFNKJDCFSA-N 408.267 -0.287 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)[C@@H]1Cc2ccccc2CN1 1796322272 NNFDVQJOXOSDJJ-ADHGMGHFSA-N 407.898 -0.110 50 20 HBGD Cn1ncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1Cl 1830732600 UHLNCYFZLHRAKD-BLLLJJGKSA-N 421.281 -0.257 50 20 HBGD O=C(/C=C/c1cnccn1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830739064 XGDWOFGOHUQXEV-KCLDSTIOSA-N 410.858 -0.454 50 20 HBGD COc1nccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1833502575 NGENVPPEDHBNAQ-SJCJKPOMSA-N 414.846 -0.845 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccco1)CCO2 1833928869 CLIXGGRRYMCYTE-LJQANCHMSA-N 408.455 -0.277 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCCC3=O)CCO2)C1 1835413543 DPFBOZIJUFZQGL-KDOFPFPSSA-N 417.890 -0.681 50 20 HBGD O=C(Cc1cscn1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1836038028 WOOCHJOPCDUQLK-CZUORRHYSA-N 403.888 -0.258 50 20 HBGD O=C(CCCn1ccnc1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840383571 UJPZYRPLOIFZRF-MAUKXSAKSA-N 414.890 -0.281 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)c2cc3ncccn3n2)C1 1844035795 QEVJVNTVGZRHAA-UHFFFAOYSA-N 420.433 -0.141 50 20 HBGD Cn1c(=O)c2c(ncn2CCC(=O)NNC(=O)COc2ccccc2F)n(C)c1=O 16225210 FNHCZNCRNZLYNU-UHFFFAOYSA-N 418.385 -0.811 50 20 HBGD Cc1nc(C)c(CC(=O)OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c(O)n1 728327073 JCKNBNKJLFEVHS-OAHLLOKOSA-N 416.390 -0.128 50 20 HBGD C[C@@H](C(=O)NNC(=O)CNC(=O)c1cccs1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 744360632 DYRVDBIYHNIGJS-KOJFIEQPSA-N 420.447 -0.824 50 20 HBGD COC(=O)c1cc(S(=O)(=O)NNC(=O)[C@@H]2COCCO2)c(C(=O)OC)s1 745978908 VJHIRJNKDCBAQP-ZETCQYMHSA-N 408.410 -0.954 50 20 HBGD COCCNS(=O)(=O)c1c[nH]c(C(=O)NNC(=O)c2c(C)nc3ccccn23)c1 746102505 HVLZBWZCVRSQLR-UHFFFAOYSA-N 420.451 -0.030 50 20 HBGD CC(C)(C)C(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 761063984 OSJQMZXEHASXDI-UHFFFAOYSA-N 412.468 -0.161 50 20 HBGD C#CCNS(=O)(=O)c1cccc(C(=O)NNC(=O)CNC(=O)c2cccnc2)c1 763813509 JRERONYOLPHCLY-UHFFFAOYSA-N 415.431 -0.816 50 20 HBGD COc1ncnc(N(C)C)c1NC(=O)C(=O)NNC(=O)[C@H]1Cc2ccccc2O1 764153999 NUGKPSSMZNGYEJ-GFCCVEGCSA-N 400.395 -0.359 50 20 HBGD C[C@H](C(=O)NNC(=O)CNC(=O)c1cccnc1)N1C(=O)NC2(CCCC2)C1=O 764342728 IAWBHABQBWNZGS-LLVKDONJSA-N 402.411 -0.788 50 20 HBGD COCCOc1cccc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 764818064 QQKKAWAZTGQHQP-UHFFFAOYSA-N 414.422 -0.391 50 20 HBGD Cc1[nH]c2ccc(C(=O)NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc2c1C 765729726 ZXMKBNLFQKCFQP-UHFFFAOYSA-N 423.433 -0.007 50 20 HBGD O=C(CNC(=O)c1cccnc1)NNC(=O)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1 784793983 SFQLPABWOFRFOL-JKSUJKDBSA-N 415.450 -0.600 50 20 HBGD CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)NNC(=O)COc1ccccc1O 800057046 XLWCWCBGTZJNGA-NEPJUHHUSA-N 400.457 -0.181 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 801108986 WOPKXHDVDTUAFA-UXOAXIEHSA-N 400.391 -0.757 50 20 HBGD Cn1cncc1CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 806306011 CUDHSBLMWJRFEP-UHFFFAOYSA-N 407.452 -0.555 50 20 HBGD COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@@H]1CCc2nncn2C1 816884932 MINXGVCQUGFTOM-NEPJUHHUSA-N 424.458 -0.166 50 20 HBGD O=C(Cn1nc2ccccn2c1=O)NNC(=O)c1csc(N2CCOCC2)n1 892844352 HTFJOYJOQXHMCO-UHFFFAOYSA-N 403.424 -0.750 50 20 HBGD C[C@@H]1CN(CCC(=O)NNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 912919105 JLNMCZCMQHBJQC-CHWSQXEVSA-N 407.427 -0.029 50 20 HBGD O=C(Cc1ccnc(O)c1Br)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1320835558 PFGJDPHSMYONQL-QMMMGPOBSA-N 407.246 -0.390 50 20 HBGD CC(C)O[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1779167864 WESCLOPYULHQNO-YWZLYKJASA-N 404.272 -0.377 50 20 HBGD CC[C@@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)CN3CCS(=O)(=O)CC3)CCO2)C1 1781215942 YXUGHKLANYBYRY-PBHICJAKSA-N 421.947 -0.436 50 20 HBGD N=C1NCCN1CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781330475 AYPRVEZTKVIFAR-BXUZGUMPSA-N 406.256 -0.653 50 20 HBGD CCC(=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccc1C(=O)NN)C2 1781724759 XEGVDLYKVNANGK-OXQOHEQNSA-N 417.466 -0.208 50 20 HBGD CN(CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](F)Br)CCO2)C(=O)C(=O)O 1782749524 HQAKYRFHZNUEPO-HZMBPMFUSA-N 424.223 -0.950 50 20 HBGD CC[C@H](Br)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](N)CCC(N)=O)CCO2)C1 1783342384 KWTOWLQVHBRJGA-MQIPJXDCSA-N 419.320 -0.417 50 20 HBGD Cc1nn(C)c(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)c1F 1783936983 ZNHIMSZFTWURAP-IBGZPJMESA-N 424.477 -0.316 50 20 HBGD C[C@@H](CBr)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)CN3)C[C@@H]21 1783973295 XVZCOHMNUDWWAG-LZXPERKUSA-N 418.332 -0.280 50 20 HBGD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2)C1(O)CCC1 1792480832 UXYOIRUVVILQQI-AFIMGQEJSA-N 410.515 -0.500 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[C@@H](O)c1ccccc1 1795380877 ZWPOUIUNBUHARR-HNJRGHQBSA-N 424.262 -0.697 50 20 HBGD O=C(Cc1cscn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1795800745 RXRLQAUXVGUGSS-ZSBFGKGUSA-N 415.280 -0.731 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[C@@H]1CCC=CO1 1797719243 VWOHQINKQWXDAZ-MVJTYMMSSA-N 400.240 -0.738 50 20 HBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCOC1=O)C2 1800977510 AEBCLDUQIBTEIK-XFMPKHEZSA-N 403.863 -0.328 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)COCCO)[C@@H]1c1cccnc1 1813074202 WJMBQPBGUIMZHW-OXJNMPFZSA-N 421.498 -0.531 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)C(=O)N(C)C)CC2)CC1 1834634141 CATIOSVGADEMRH-UHFFFAOYSA-N 424.546 -0.981 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@@H]1F)CCO2 1839770444 XMVBRBCUAYRANY-RFUYNDQBSA-N 421.429 -0.887 50 20 HBGD CC(=O)N/C(C)=C/C(=O)N1CC2(CCCN2C(=O)c2cnccc2C(=O)NN)C1 1844265095 UMCYXAOEJZBMII-XYOKQWHBSA-N 400.439 -0.458 50 20 HBGD Cc1n[nH]cc1C(=O)NNC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 732084284 VSJVLEIMWIWAHT-UHFFFAOYSA-N 413.481 -0.196 50 20 HBGD CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)NNC(=O)Cc1cccnc1 733041199 UFWFGORNBSZCHO-UHFFFAOYSA-N 421.479 -0.233 50 20 HBGD CCc1sc(C(=O)NNC(=O)CN2CCN(S(=O)(=O)N(C)C)CC2)cc1C 736308582 PVZIZMDLKPRYOL-UHFFFAOYSA-N 417.557 -0.196 50 20 HBGD C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 736385946 CZXXOATYKNXFIU-CHWSQXEVSA-N 410.500 -0.059 50 20 HBGD O=C(O)CCCOc1ccc(S(=O)(=O)NNC(=O)[C@@H]2COCCO2)cc1F 745978034 BGYFPAQZISDDSN-ZDUSSCGKSA-N 406.388 -0.206 50 20 HBGD Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NNC(=O)C(=O)N3CCCC3)C2=O)cc1 748247146 KPGLKYQOLMWMRK-LJQANCHMSA-N 401.423 -0.468 50 20 HBGD O=C(NNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])N[C@@H]1CCS(=O)(=O)C1 751270001 FZCIRRIPJWDBEQ-MRVPVSSYSA-N 412.833 -0.072 50 20 HBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)Nc1cccc(C(=O)N2CCOCC2)c1 755932707 CYIYXRZNDDZYNY-ZDUSSCGKSA-N 410.452 -0.254 50 20 HBGD CNC(=O)Cn1nc(NC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1C 757823919 VAVWAIFBAOKNMI-UHFFFAOYSA-N 415.458 -0.203 50 20 HBGD O=C(NCC(=O)N1CCN(S(=O)(=O)CBr)CC1)c1ccncc1 758528614 WQUSHHLDUSSAEK-UHFFFAOYSA-N 405.274 -0.362 50 20 HBGD Cc1cc(C)n(CC(=O)NNC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)n1 764565245 BBKSRGWQNJHXGR-UHFFFAOYSA-N 414.470 -0.434 50 20 HBGD Cn1cc(/C=C/C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)c(=O)n(C)c1=O 765318500 IQKPEHXYXJCTMN-CMDGGOBGSA-N 409.443 -0.451 50 20 HBGD COc1ccccc1-c1cc(C(=O)NNC(=O)c2cn(CC(=O)N(C)C)nn2)n[nH]1 768281510 NBUDXCXADIZDFY-UHFFFAOYSA-N 412.410 -0.160 50 20 HBGD C[C@@H](C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1)N1CCSCC1 774991035 ZBLKZKZKKGBRSQ-WFASDCNBSA-N 409.464 -0.046 50 20 HBGD Cc1c(/C=C(\C#N)C(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)cc(C#N)n1C 787344297 JGYXCCUPAHWKQC-VIZOYTHASA-N 422.449 -0.399 50 20 HBGD Cn1nccc1COCC(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 792487771 MYRSIYMUJPUZGP-OAHLLOKOSA-N 404.379 -0.533 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1cncc(Br)c1 795313795 IMJFSSFHBKZFOR-LURJTMIESA-N 401.264 -0.909 50 20 HBGD Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 915686430 XPVUFLJOMBAHFC-TZMCWYRMSA-N 410.431 -0.513 50 20 HBGD O=C(CCNS(=O)(=O)c1ccc(F)cc1)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 920212551 OZRJSTXZKXCCSS-LLVKDONJSA-N 422.460 -0.988 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)c1n[nH]cc1I 1342749812 XBAUFDRPSNZTMS-UHFFFAOYSA-N 403.136 -0.202 50 20 HBGD CC[C@H](NC(N)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781331134 LNICPGMJBYEILO-IMSIIYSGSA-N 409.256 -0.046 50 20 HBGD CC[S@](=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783934395 GGXPWIVDGFKVHX-WRHNGFHOSA-N 416.544 -0.652 50 20 HBGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1791251711 QUHFTHANODRMKT-LLLHUVSDSA-N 424.690 -0.787 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn(C)cn3)C[C@@H]21 1791288715 OYOAVTJAQXPAEZ-DZKIICNBSA-N 406.487 -0.614 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CC(F)(F)C1)C2)c1cccc(B(O)O)c1 1795737617 BIWLNHRKJNFKBK-MIFYACCESA-N 408.210 -0.385 50 20 HBGD CC(=O)N1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(Cl)Cl)C3)CC1 1797306339 WHONURHDBVMGPQ-AGGWBTHJSA-N 421.325 -0.456 50 20 HBGD C[Si](C)(C)OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)N1CCOCC1 1797802623 AAOPEZKQPRSRPC-CXHZTBPHSA-N 415.563 -0.922 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCCCC1=O)c1ccc(B(O)O)cc1 1802160209 BHTZBTKRNBGGSU-BCDXTJNWSA-N 413.283 -0.369 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CC[C@H](CNC(=O)[C@H]2C[C@@H](O)C2)[C@H]1c1cccnc1 1809506127 SFBLVOOCHYWMRY-IZBJGVDFSA-N 423.278 -0.148 50 20 HBGD Cc1onc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1C 1830726312 QBAGEJNXBLZMCI-CXAGYDPISA-N 401.847 -0.039 50 20 HBGD CCOC(CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2)OCC 1830738789 SPPLTQKDFCHDDR-KDOFPFPSSA-N 422.906 -0.168 50 20 HBGD O=C(c1ncc(Cl)cn1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1833783352 RTWCQMBBCAEUFG-LRDDRELGSA-N 419.265 -0.200 50 20 HBGD Cc1oncc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1834320627 DXPIAVSZBWWFLL-IBGZPJMESA-N 423.470 -0.574 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccn3)C2)C1 1840152153 ZBTUKRJECRUMKW-WMLDXEAASA-N 400.863 -0.407 50 20 HBGD O=C(CCc1cnccn1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840455159 CRMPKQAGDLWOPO-YJBOKZPZSA-N 412.874 -0.535 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCCC12CN(C(=O)c1cc3cccnn3n1)C2 1844264526 CBFVOINLHXNVMI-UHFFFAOYSA-N 420.433 -0.141 50 20 HBGD Cn1c(=O)c2c(ncn2CCC(=O)NNc2nc(-c3cccnc3)no2)n(C)c1=O 728075920 RLBBSOYADSFJDA-UHFFFAOYSA-N 411.382 -0.588 50 20 HBGD O=C(NNC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1)N[C@@H]1CCS(=O)(=O)C1 732755826 XTHTYQSBFWYVBG-MGPQQGTHSA-N 400.501 -0.067 50 20 HBGD O=C(COc1ccccc1O)NNC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 737008566 FMIQXLJUFAFAPV-UHFFFAOYSA-N 418.410 -0.321 50 20 HBGD Cc1c(C(=O)NNC(=O)C(=O)NC(C)C)cc(Br)cc1S(N)(=O)=O 747349399 FUALVXIAUWVICB-UHFFFAOYSA-N 421.273 -0.309 50 20 HBGD COCCS(=O)(=O)c1ccc(C(=O)NNC(=O)CNC(=O)c2ccco2)cc1 751199235 LFEVDLUVSLWLRB-UHFFFAOYSA-N 409.420 -0.109 50 20 HBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CS(=O)(=O)NC)c1 751558275 RPPDCKYKUBTHSH-UHFFFAOYSA-N 406.486 -0.973 50 20 HBGD COC(=O)c1ccc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cc1C(=O)OC 756819041 UNNGWVATMADMFA-QMMMGPOBSA-N 416.412 -0.650 50 20 HBGD COCC(=O)NNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C(C)C)ccc1C 764302783 HYXXYEXQQLYOCL-UHFFFAOYSA-N 400.457 -0.244 50 20 HBGD COCCO[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccccc1CN1CCOCC1 764399777 LSMZPCPXSWWBNK-CQSZACIVSA-N 408.455 -0.344 50 20 HBGD COc1cc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)ccc1F 765727799 MZEBAGKAKXBZBZ-UHFFFAOYSA-N 404.358 -0.957 50 20 HBGD COc1ccccc1-c1cc(C(=O)NNC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)n[nH]1 768275705 DTSYQFRDOSMRLF-GFCCVEGCSA-N 421.479 -0.035 50 20 HBGD O=C(CC(=O)N1CCN(S(=O)(=O)CBr)CC1)NCC(F)(F)F 779676493 BBIKCQZRIPVXKE-UHFFFAOYSA-N 410.212 -0.119 50 20 HBGD C[C@@H]1CCCN(C(=O)C(=O)NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)C1 802544177 VIUXGWGTLQHBQK-CQSZACIVSA-N 424.527 -0.281 50 20 HBGD C[C@H]1CN(CCC(=O)NNC(=O)CNS(=O)(=O)c2cccs2)C[C@H](C)O1 809981864 ZFVMGWJERNYVPO-RYUDHWBXSA-N 404.514 -0.327 50 20 HBGD O=C(CN1CCN(C(=O)[C@@H]2CCCO2)CC1)NNC(=O)c1cccc([N+](=O)[O-])c1 916147768 OTIHRMHFHOMQSX-HNNXBMFYSA-N 405.411 -0.321 50 20 HBGD Cc1nc2c(c(C)nn2C)c(C)c1CC(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 1317977646 ITFONMXAKULIBY-LBPRGKRZSA-N 408.484 -0.046 50 20 HBGD COC[C@H](NC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)CO[Si](C)(C)C)CCO2)C1 1779315511 KBNJNVAZEVBFJH-YJBOKZPZSA-N 415.563 -0.181 50 20 HBGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CNC(=O)C1)C2 1792872039 JYPJVTLBXDMMGC-XJGUIPMBSA-N 402.289 -0.257 50 20 HBGD Cc1nocc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1794840449 WBIKJLFJCMOQKF-DRXBFXEBSA-N 414.422 -0.501 50 20 HBGD C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2 1797708056 AWIOBECQZJARSF-MVJTYMMSSA-N 416.283 -0.857 50 20 HBGD C[C@H](Nc1cnccn1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1798460901 NHQREYZEIPZAQS-RUGDWHBFSA-N 423.282 -0.091 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(C)(=O)=O)C2 1799275275 QZPNLGRUYBHQSN-IQOUGMIPSA-N 401.312 -0.143 50 20 HBGD CC(=O)NCC(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807372374 DVMCACQPIJYTSD-FXAWDEMLSA-N 424.266 -0.783 50 20 HBGD CC(=O)C(=O)N1CC[C@H](CNC(=O)c2cnccc2C(=O)NN)[C@H]1c1cccnc1 1810299471 QRKOQNAEQWUQQA-RHSMWYFYSA-N 410.434 -0.011 50 20 HBGD CNC(=O)CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCC(=O)NN(C)C)[nH]n1 1815145037 RSSVTEXCJQZPAD-ZDUSSCGKSA-N 407.475 -0.089 50 20 HBGD O=C(c1cnc(Cl)nc1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1829514266 TWPDRZDGMWSWCT-MLGOLLRUSA-N 419.265 -0.200 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)C(=O)C3CC3)CC2)CC1 1833280317 PXTKTWPNNOSGIC-UHFFFAOYSA-N 421.542 -0.090 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncn(C)n3)CCO2)C1 1833885175 FGLQUHZDUNRGKA-MLGOLLRUSA-N 401.851 -0.861 50 20 HBGD CN(C)c1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)o1 1833896260 RUOKHURELCMPDW-YVEFUNNKSA-N 416.862 -0.590 50 20 HBGD C[C@@](Cl)(CCl)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccnn3)C2)C1 1839151854 GAOFGUMWXZCGHF-HZPDHXFCSA-N 420.297 -0.029 50 20 HBGD C[C@@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccnn3)C2)C1 1840032238 SFCKCJGGVIFMPT-IUODEOHRSA-N 416.276 -0.482 50 20 HBGD C[C@@H]1C[C@@]1(C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840184857 CQZSDIAUQAETDB-YSGRDPCXSA-N 410.515 -0.138 50 20 HBGD C[C@H](Nc1cnccn1)C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011611 VXWBGBKSPPYLKV-AWEZNQCLSA-N 409.255 -0.526 50 20 HBGD COc1ccccc1OCC(=O)NNC(=O)CNC1=NS(=O)(=O)c2ccccc21 15668552 YJELKLHIQJCXGK-UHFFFAOYSA-N 418.431 -0.040 50 20 HBGD Cn1c(=O)c2c(ncn2CCC(=O)NNC(=O)COc2ccc(F)cc2)n(C)c1=O 18101765 URKDMPIAZRWHEY-UHFFFAOYSA-N 418.385 -0.811 50 20 HBGD C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)c3cnn[nH]3)cc2)C[C@H](C)O1 729455643 PWFCITHIIMDQGM-QWRGUYRKSA-N 408.440 -0.323 50 20 HBGD CCOCC(=O)NNC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 731278661 JFMSHRQAXUGRQL-UHFFFAOYSA-N 400.457 -0.426 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)CCCc2cccs2)n(C)c1=O 732557160 ZNJKDVVRXSRQFD-UHFFFAOYSA-N 404.452 -0.335 50 20 HBGD O=C(NNC(=O)[C@@H]1CC(c2cc(F)ccc2F)=NO1)N[C@@H]1CCS(=O)(=O)C1 732657137 LHUVAAXTQVVOAQ-RNCFNFMXSA-N 402.379 -0.025 50 20 HBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@@H]2CC(=O)N(C)C2)c1 750653531 WBCUGNHAEJCUMG-CYBMUJFWSA-N 411.484 -0.108 50 20 HBGD COc1cc(NC(=O)CNC(=O)NNC(=O)CNC(=O)c2ccco2)cc(OC)c1 752010003 PLPKGBUISNBHDP-UHFFFAOYSA-N 419.394 -0.004 50 20 HBGD N#Cc1ccccc1OCC(=O)NNC(=O)C(=O)Nc1ccc(-n2cnnn2)cc1 763808028 TVBMAWNKTJQBDL-UHFFFAOYSA-N 406.362 -0.301 50 20 HBGD O=C(NNc1ccccc1S(=O)(=O)N1CCOCC1)[C@H]1CN2CCCN1CC2 764463235 DNPNQGNKEXJCQD-MRXNPFEDSA-N 409.512 -0.460 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2c(Cl)nc3sccn23)n(C)c1=O 764818318 UGMABXPXOLWRGB-UHFFFAOYSA-N 420.842 -0.053 50 20 HBGD Cc1ncc(/C=C/C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)s1 765732010 UAOVVQIVWZSMLX-SNAWJCMRSA-N 403.424 -0.941 50 20 HBGD COc1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)nn1C 771844745 GABLRAVSIAPIIG-UHFFFAOYSA-N 423.451 -0.476 50 20 HBGD CN1CCN(CC(=O)NN(C)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1=O 781986662 WUPYOMAFHXKCEA-UHFFFAOYSA-N 412.491 -0.604 50 20 HBGD CN(CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](F)Cl)C1)C(=O)C(=O)O 1778029589 OSBPVOJSIKQLOX-RSAASHCRSA-N 407.826 -0.422 50 20 HBGD NC(=O)NCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](F)Br)C2 1783288695 XXOZPMKNOFFWSX-GLXFQSAKSA-N 409.256 -0.141 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(O)cc(O)cc1O)C2)[C@H](O)CCl 1792980492 QIRIOYZPWDZTSW-NWIKQPOISA-N 400.815 -0.394 50 20 HBGD Cn1c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnccc2C(=O)NN)C3)cccc1=O 1794929728 YYDULZMEWXRSJK-BTTYYORXSA-N 424.461 -0.051 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccccn1)C2)c1ccc(B(O)O)cc1 1795734298 CAKUCYFOOVOXKE-CWPLJXCYSA-N 409.251 -0.793 50 20 HBGD CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Cl 1796368271 HWTOMTVJUKTWBN-OBRUSBNWSA-N 415.853 -0.419 50 20 HBGD C[C@@H](CC(N)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnccc1C(=O)NN 1798439619 OIYDHVKQRSHLBA-RVMXOQNASA-N 402.455 -0.552 50 20 HBGD CC[C@H](NC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)Br 1800757068 HODSVTWAIQOFTG-LDMBFOFVSA-N 405.293 -0.194 50 20 HBGD C[C@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCS1(=O)=O)C2 1800761942 KDVHVDKOGDPZDW-WJTVCTBASA-N 423.329 -0.063 50 20 HBGD CN1CC(C(=O)N2CC[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2c2cccnc2)C1 1807368208 QLHPEUQPQWLVEN-FXAWDEMLSA-N 422.294 -0.357 50 20 HBGD NC(=O)CCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1812629229 VYWNKFGAGAWSIF-OXJNMPFZSA-N 424.266 -0.654 50 20 HBGD CCc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)nn1C 1830731772 MOFPLAWMHLAILT-MAUKXSAKSA-N 414.890 -0.348 50 20 HBGD O=C([C@H](O)CCl)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 1830737997 KYABXWUAKLYTQE-LSPIHWNJSA-N 402.875 -0.390 50 20 HBGD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)nn1C 1834115151 JWVNNOQSRZFZDZ-WMLDXEAASA-N 400.863 -0.602 50 20 HBGD O=C(CCN1CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1835129060 ZSNBUCXMOZOFPF-VQIMIIECSA-N 417.934 -0.082 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)CCC(N)=O)C2)C1 1837715929 SAIUQKHHRFIFKY-KRWDZBQOSA-N 401.536 -0.440 50 20 HBGD O=C1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)CCBr)C3)C2)CN1 1839868517 RABJYBUPIQRKIT-WBMJQRKESA-N 418.288 -0.636 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3C)C2)C1 1840155306 WXECIMOSFGZPLK-SUNYJGFJSA-N 417.890 -0.683 50 20 HBGD Cc1nccn1[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1840488840 AYMZJUGHEMQQFO-XUWXXGDYSA-N 414.890 -0.191 50 20 HBGD C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1841054872 OSDANVPARKOMOI-PLNGDYQASA-N 412.450 -0.640 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC2(CCCN2C(=O)CN2CCCCC2=O)C1 1846291350 YUWKPKMTYPNVIM-UHFFFAOYSA-N 414.466 -0.485 50 20 HBGD COC(=O)C12CC(C(=O)N3CC4(CCCN4C(=O)CCC(=O)NN(C)C)C3)(C1)C2 1846385974 QYPSDMDNAYKWHB-UHFFFAOYSA-N 406.483 -0.094 50 20 HBGD CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NNC(=O)C(=O)NC2CC2)cc1 10213538 SKSVBRDJXDDCIN-UHFFFAOYSA-N 424.479 -0.284 50 20 HBGD CN(C)S(=O)(=O)c1cc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)ccc1Cl 16786038 BVBXSJKESNRCFV-SNVBAGLBSA-N 423.900 -0.214 50 20 HBGD CS(=O)(=O)N1CCCc2cc(C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)ccc21 16786198 FXFLADQHLOZTJR-CYBMUJFWSA-N 415.493 -0.406 50 20 HBGD C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C)C2=O 728178421 ARZCYRRBRSINGP-IGCXYCKISA-N 400.501 -0.021 50 20 HBGD CN(C)N(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CCS(=O)(=O)C1 728180227 RWLOWASUDDBWBB-NSHDSACASA-N 400.482 -0.783 50 20 HBGD Cc1nc2ccccn2c1C(=O)NNC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 742489543 SKFCVASERHHCRN-BHTHQVBYSA-N 411.418 -0.044 50 20 HBGD Cc1cccc(OCC(=O)NNC(=O)CCc2nc3c(O)nc(=O)n(C)c3[nH]2)c1 746231659 PPXRTYAYXKBMLB-UHFFFAOYSA-N 400.395 -0.170 50 20 HBGD C[C@H](C(=O)NNC(=O)COc1ccccc1O)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 746235332 TVLGUWAANNVKFM-FBVUGSABSA-N 403.391 -0.531 50 20 HBGD C[C@H](C(=O)NNc1nc2ccccc2c(=O)n1C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 746257777 GYDZDBIGIGNTNS-YGARTUKASA-N 411.418 -0.073 50 20 HBGD Cc1ccc(OCC(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)cc1C 755035875 HXCMSGYQGUFEFB-CYBMUJFWSA-N 409.468 -0.070 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1csc(CNC(=O)OC(C)(C)C)n1 758047259 KJSZMJHAHDYFKO-QMMMGPOBSA-N 421.501 -0.134 50 20 HBGD COC(=O)c1cn([C@@H]2CCCN(C(=O)NNC(=O)CNC(=O)c3ccco3)C2)nn1 762571026 JROVFLPDAOTTCG-LLVKDONJSA-N 419.398 -0.535 50 20 HBGD CCCCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NNC(=O)CN(C)C)cc1 764204336 LQVPXGLDCQTEET-UHFFFAOYSA-N 413.500 -0.245 50 20 HBGD CN(C)CC(=O)NNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 764211884 MQTBNXJKXZHLJN-KGENOOAVSA-N 424.483 -0.853 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccccc1N1CCCCC1 764227716 QSOGRXZGDZFSBW-LBPRGKRZSA-N 411.484 -0.300 50 20 HBGD CC(C)Oc1cc(NC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)ccc1C(N)=O 788773660 YNPKRMHBTPKZHZ-VIFPVBQESA-N 401.445 -0.337 50 20 HBGD CC(C)(C)OC(=O)NCC(=O)NNC(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O 800055441 KLMKQYRMEYBZCU-GHMZBOCLSA-N 407.493 -0.441 50 20 HBGD Cc1ccc(NC(=O)C(=O)NNC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 801107955 APDXLPRWBQCLGI-XOUADPBQSA-N 414.418 -0.367 50 20 HBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CN2CCCNC2=O)c1 915260368 FQCPMQYPPUGMRC-UHFFFAOYSA-N 411.484 -0.107 50 20 HBGD Cc1n[nH]c(C)c1S(=O)(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 916104945 IBHOHFKUFZIETA-UHFFFAOYSA-N 407.861 -0.049 50 20 HBGD Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 920745625 NOGFXUFUEBGAID-HRYODUOUSA-N 423.430 -0.364 50 20 HBGD Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)N[C@@H]1CCCS(=O)(=O)C1 1320274301 QXSFFJRQXIHPON-LLVKDONJSA-N 417.513 -0.191 50 20 HBGD C[C@H](C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12)S(=O)(=O)C1CCOCC1 1324020701 COWOAKDAOMELBF-LLVKDONJSA-N 422.463 -0.323 50 20 HBGD CCCC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784091600 YLGVPKLBYVTZAN-YTFOTSKYSA-N 403.907 -0.129 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4ncnn4c3)C[C@@H]21)[C@@H](O)CCl 1784092137 HPBJQKQDPOBMKP-AJNGGQMLSA-N 407.858 -0.078 50 20 HBGD CC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NS(=O)(=O)CC 1793313851 OGVDWQULPOLTJM-QNSTZXKLSA-N 409.936 -0.079 50 20 HBGD C[C@@H](CS(C)(=O)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(B(O)O)cc1)C2 1793596368 LIRMMXCCSYGGFY-SJWGOKEGSA-N 422.312 -0.701 50 20 HBGD Cc1nnsc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1796595168 MKGHVCIYURLAFR-JJLQDPRZSA-N 410.500 -0.577 50 20 HBGD O=C1Nc2c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@H](O)CCl)C4)cccc2C1=O 1797538673 JVCMOMUNNYXXPY-RDBQEKCUSA-N 421.837 -0.376 50 20 HBGD CCc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(=O)NN(C)C)C3)nn1C 1798325514 ALAQLXDQGVPMEI-HBCWATKFSA-N 420.514 -0.441 50 20 HBGD COC[C@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn(C)nc1OC)C2 1800976019 ZQRPCDKLGLBNFI-XCCSTKFXSA-N 400.863 -0.114 50 20 HBGD Cc1[nH]nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)c1F 1830725684 RALZCMOZNRVWCQ-BZNIZROVSA-N 404.826 -0.473 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]nnc3C)C2)C1 1840151629 IWLBDMDLNKCVNC-BLLLJJGKSA-N 401.851 -0.563 50 20 HBGD COCCn1ccc(C(=O)N2CCCC23CN(C(=O)CCC(=O)NN(C)C)C3)n1 1843515922 QEJMARYTWFQBCZ-UHFFFAOYSA-N 406.487 -0.281 50 20 HBGD O=C(c1cccc(B(O)O)c1)N1CC2(CCCN2C(=O)c2cnn3ccncc23)C1 1843782534 HJQOALLFIIGKMX-UHFFFAOYSA-N 405.223 -0.460 50 20 HBGD C[C@H](C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2)N1C[C@H]2C[C@@H]2C1 1844190979 VOIDNOUMGXKGBL-RBSFLKMASA-N 412.494 -0.158 50 20 HBGD O=C(CNC(=O)c1cccs1)NNC(=O)CN1C(=O)c2ccccc2S1(=O)=O 725740276 CIKCXIQSRORERO-UHFFFAOYSA-N 422.444 -0.530 50 20 HBGD COc1cc(C(=O)NNC(=O)[C@@H]2CCCN2C(=O)CNC(C)=O)cc(OC)c1OC 728455447 QFAXETGZPVGJHH-ZDUSSCGKSA-N 422.438 -0.400 50 20 HBGD CC1CCC(N2C[C@@H](C(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)CC2=O)CC1 731343552 XDSYNMPRFYNLTR-QPPOZKHWSA-N 400.501 -0.069 50 20 HBGD O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)NNC(=O)C(=O)N1CCCC1 748445249 PSWOCVASMHGYMW-UHFFFAOYSA-N 417.875 -0.429 50 20 HBGD Cc1c(NC(=O)[C@@H](C)SCC(=O)NNC(=O)CO)c(=O)n(-c2ccccc2)n1C 753442549 HZCIJILHBMOJJA-GFCCVEGCSA-N 421.479 -0.316 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cccc(OCC(=O)N(C)C)c1 755960181 FTMQLYWIPLMRBW-JTQLQIEISA-N 401.445 -0.756 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccc(Cl)c1 758030954 UIXCMGGYKYFDQN-MRCXROJRSA-N 416.887 -0.056 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2cnc(C(C)(C)C)s2)n(C)c1=O 765725511 TVHIVTYXIRLXCB-UHFFFAOYSA-N 419.467 -0.351 50 20 HBGD N#Cc1ccc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccc(O)nc3)CC2)cc1 766250972 WNDOLKJZBCFCIW-UHFFFAOYSA-N 408.418 -0.122 50 20 HBGD CC(C)(O)C(=O)NNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc1ccccc1 768247654 MKDPMQVTKNXHHF-ZDUSSCGKSA-N 415.468 -0.366 50 20 HBGD COCCO[C@@H]1C[C@H](CO)CN(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)C1 773962407 IJEVUUQJGWULBU-XJKSGUPXSA-N 410.427 -0.298 50 20 HBGD CC(C)n1nc(C(=O)NNC(=O)NCC(=O)N2CCOCC2)c2ccccc2c1=O 776637257 MKBSVVZKPWHPIL-UHFFFAOYSA-N 416.438 -0.220 50 20 HBGD COCCO[C@@H]1COCC[C@@H]1NC(=O)NNC(=O)CNC(=O)c1cccs1 776868578 RTNXXMANMYLBLF-NWDGAFQWSA-N 400.457 -0.371 50 20 HBGD CCOC(=O)c1cc(F)cc(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 778561447 BGKLTOFNFNOWCE-QMMMGPOBSA-N 411.433 -0.750 50 20 HBGD CCOCCS(=O)(=O)NCC(=O)NNc1nc(Br)cn2ccnc12 810485148 WLBLIWQKLJMLAW-UHFFFAOYSA-N 421.277 -0.109 50 20 HBGD CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNc2cnnn2C)c1 816771161 ARSAPCXPCGRNSA-UHFFFAOYSA-N 409.472 -0.281 50 20 HBGD C[C@@H]1CN(CCC(=O)NNC(=O)CNC(=O)c2ccc3c(c2)OCO3)C[C@@H](C)O1 912921354 NNCBRHNBMBPRLZ-CHWSQXEVSA-N 406.439 -0.208 50 20 HBGD CN(C)S(=O)(=O)c1c[nH]c(C(=O)NNC(=O)c2nnc(O)c3ccccc23)c1 915058796 TXYNZRNEIQMCAU-UHFFFAOYSA-N 404.408 -0.011 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)c3ccco3)[C@H]2C1 1783564673 KEQPGGDKCWJCPS-IWKLRQMXSA-N 422.482 -0.334 50 20 HBGD Cc1nccc(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)n1 1783934990 NZJHUPLFLJCYPE-IBGZPJMESA-N 404.471 -0.398 50 20 HBGD CC[C@@H](C)[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1784543925 IHKYXGIBGTXKEJ-ZAMIHWKFSA-N 418.299 -0.633 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnsn3)[C@H]2C1 1785662891 MIABQQLDVGZATE-OBJOEFQTSA-N 410.500 -0.496 50 20 HBGD CC[C@@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(B(O)O)c3)[C@H]2C1 1786984789 JUXXFAJABKWTSI-LLLHUVSDSA-N 408.691 -0.023 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CCl)C[C@@H]21)c1cc(O)nc(O)n1 1787437160 XEPVIFFEHQWBMX-QSFUFRPTSA-N 400.819 -0.919 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)O)C[C@@H]21 1787508480 YNDNPYUWRPRBDC-VMWQECKWSA-N 405.455 -0.519 50 20 HBGD C[C@@H](CBr)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cnnn1)C2 1792868506 ZLUBRVMXGHMGLS-KQXIARHKSA-N 401.265 -0.706 50 20 HBGD C[Si](C)(C)OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@@H](N)C(N)=O 1795631962 BHTDEGFFHYWEKG-OQMKEHIESA-N 400.552 -0.980 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2)[C@@H]1C[C@H]2CC[C@@H]1O2 1800789504 SDGQBXONULISGJ-DQQHVZQSSA-N 414.267 -0.863 50 20 HBGD COC[C@@H](Cl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NN(C)C)C2 1800980967 IVQGRTZMPVTYAV-OQMKEHIESA-N 404.895 -0.797 50 20 HBGD O=C(NC[C@@H]1CCN(C(=O)CN(CCO)CCO)[C@@H]1c1cccnc1)[C@@H](F)Cl 1808322484 TZPWMEXUNNKRTQ-USXIJHARSA-N 416.881 -0.092 50 20 HBGD C[C@H](CN)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cccc(B(O)O)c1)CC2 1814741377 HOKHYHFRHCLZCM-MFKMUULPSA-N 402.285 -0.357 50 20 HBGD O=C(c1nc2ccccn2n1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830723929 UWMDSRZWQSRUHN-ACJLOTCBSA-N 423.857 -0.601 50 20 HBGD C[C@H](Cn1cccn1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830726163 XBCVHBYCMJZUNS-RVKKMQEKSA-N 414.890 -0.425 50 20 HBGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1831654153 ISJVUGAOVZRAJH-XSWJXKHESA-N 403.907 -0.427 50 20 HBGD C[C@](O)(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1)C(F)(F)F 1832149639 BCZXIEFCDHLRBU-BPNCWPANSA-N 418.796 -0.644 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccc(C)n3)CCO2)C1 1833094079 JDCNCIBXVJIXAU-CRAIPNDOSA-N 414.890 -0.098 50 20 HBGD Cc1ccc(C)c(OCC(=O)NNC(=O)CNS(=O)(=O)c2cn(C)c(C)n2)c1 116609872 JXVWUKHTQVNDIP-UHFFFAOYSA-N 409.468 -0.150 50 20 HBGD O=C(NNS(=O)(=O)c1cnn(-c2ccccc2F)c1)[C@H]1CCS(=O)(=O)C1 742026544 HPLSJXUTGFJAKZ-JTQLQIEISA-N 402.429 -0.244 50 20 HBGD CN1CCN(Cc2ccc(C(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)cc2)CC1 746163738 RLSSOBMEKITLTQ-INIZCTEOSA-N 409.512 -0.435 50 20 HBGD COCCO[C@@H](C)C(=O)NNC(=O)N[C@H](C)CN1CCN(c2ccccn2)CC1 748633923 UKCLLCDMURCDIV-CVEARBPZSA-N 408.503 -0.026 50 20 HBGD C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NNC(=O)C3CCCC3)CC2)C[C@@H](C)O1 753354845 NHUTULGDUHKJIQ-OKILXGFUSA-N 417.532 -0.111 50 20 HBGD NC(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c(F)c1 763573277 RSMHIFADBFQUJR-CQSZACIVSA-N 402.338 -0.150 50 20 HBGD COCCS(=O)(=O)c1ccc(C(=O)NNC(=O)CNC(=O)c2cccnc2)cc1 763825782 WHFNFSNFGWCZTQ-UHFFFAOYSA-N 420.447 -0.307 50 20 HBGD C[C@H](CNC(=O)C(=O)NNC(=O)CCSc1ccc(F)cc1)S(N)(=O)=O 763895732 QYFHIJZRAPWIOF-SECBINFHSA-N 406.461 -0.752 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)C(=O)Nc1ccc(Cl)c2ncccc12 764228297 XEYRPJWCBFKQRO-MRVPVSSYSA-N 413.843 -0.088 50 20 HBGD N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)n1 764428582 JRIUBXSWIDOTJO-CYBMUJFWSA-N 402.342 -0.616 50 20 HBGD CN(C)C(=O)CCCC(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 766636224 NKPYAHRQRGYUAQ-UHFFFAOYSA-N 403.483 -0.150 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NNC(=O)c2c[nH]nc2-c2ccccc2)n(C)c1=O 766642475 FTZQYFWEBMSSGJ-UHFFFAOYSA-N 422.405 -0.715 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2s1 779510684 MBAZVVWZHNLRCL-UONOGXRCSA-N 404.404 -0.139 50 20 HBGD O=C(NCC1CC1)NNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 780469657 DKUAUQOQSBEKGK-OCCSQVGLSA-N 400.432 -0.310 50 20 HBGD C[C@@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1nnnn1C1CC1 790735959 NEEKRFYDZUAEJB-SNVBAGLBSA-N 422.471 -0.037 50 20 HBGD Cn1c(C=NNC(=O)CNC(=O)OCc2ccccc2)nc2c1c(O)nc(=O)n2C 794559125 AVIOJIKLVOZTGQ-UHFFFAOYSA-N 413.394 -0.251 50 20 HBGD CC(=O)N1CCC[C@H](C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)C1 804951928 YWWALTLWIUXTSK-BBRMVZONSA-N 405.407 -0.225 50 20 HBGD CCOC(=O)/C=C/C(=O)N1CCO[C@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783936667 RBNPNZPBDYJEPS-UCFODXPJSA-N 410.471 -0.691 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccnnc3)[C@H]2C1 1785959842 LEBBFQAMLAWQSO-JYJNAYRXSA-N 404.471 -0.557 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)n[nH]3)C[C@@H]21 1791289349 VFVIQEZTWYVNFD-OBJOEFQTSA-N 408.459 -0.918 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCC=CO1)C2)c1cccc(B(O)O)c1 1795739103 OHINAEURVAIRKV-CYGHRXIMSA-N 400.240 -0.738 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](F)Br)C2)c1cnc(O)nc1O 1796348015 ZWLFPVCLAAOSES-MBLNEYKQSA-N 419.207 -0.219 50 20 HBGD CN(C)NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC(F)(F)C(=O)O 1796352949 DDZPNKKBZGHHME-QHBPRCKVSA-N 420.413 -0.941 50 20 HBGD CN1CCC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)CC1 1830719675 HBPZPWVPMKCOEP-YJBOKZPZSA-N 403.907 -0.616 50 20 HBGD O=C(O)C#CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1831670341 SRCRHADQVPCELE-GOSISDBHSA-N 412.251 -0.312 50 20 HBGD CCOC(=O)O[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCl)C2)C1 1839681268 JFHCMVQAXBPUIK-IGCXYCKISA-N 422.862 -0.396 50 20 HBGD O=C(Cc1cn2c(nc1=O)SCC2)N1CC2(CCCN2C(=O)[C@H](O)CCl)C1 1841352534 UIGXETGUSCOZKN-GFCCVEGCSA-N 412.899 -0.305 50 20 HBGD O=C(CNC(=O)c1ccco1)NNC(=O)CNC(=O)c1c[nH]c2ccccc2c1=O 725741287 NNWAWRPUBAKDOG-UHFFFAOYSA-N 411.374 -0.572 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 728509389 DGYAJAIRSFPJEG-SSDOTTSWSA-N 414.387 -0.176 50 20 HBGD Cn1nc(C(=O)NNC(=O)CNC(=O)OCC(F)(F)F)c2ccccc2c1=O 729258404 TXHPEUZFONEHDA-UHFFFAOYSA-N 401.301 -0.017 50 20 HBGD COc1ccc(/C=C(\C#N)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)c(OCC(=O)O)c1 734484394 WSEDCXDUAGBHJK-IZZDOVSWSA-N 414.374 -0.072 50 20 HBGD Cn1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)cn1 735521628 HSRJDVPWSLTGGJ-CQSZACIVSA-N 407.452 -0.048 50 20 HBGD COC(=O)c1cc(Cl)cc(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 741655669 BVWOSNBWVXWTCH-SSDOTTSWSA-N 413.861 -0.626 50 20 HBGD CC(C)NC(=O)C(=O)NNC(=O)CCCN(C)C1=NS(=O)(=O)c2ccccc21 742036099 DURCWNZRAHLNOS-UHFFFAOYSA-N 409.468 -0.481 50 20 HBGD N#Cc1ccc(C(=O)NNC(=O)COC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 744562514 LXJCANDQTJUKAE-USJZOSNVSA-N 422.397 -0.330 50 20 HBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)COC)cc1 764317891 SQLDHNFKCFEPQN-NSHDSACASA-N 416.456 -0.878 50 20 HBGD O=C(NNC(=O)[C@H]1COCCO1)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 764423578 BPBICDCMLYEFKR-CYBMUJFWSA-N 410.339 -0.743 50 20 HBGD COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)NN=c3cc[nH]cc3)cc2)CC1 783376926 TUBKLZPYTCUSEY-UHFFFAOYSA-N 412.450 -0.120 50 20 HBGD C[C@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1nnnn1C1CC1 790735958 NEEKRFYDZUAEJB-JTQLQIEISA-N 422.471 -0.037 50 20 HBGD CCN(C)[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1782609743 CZUXNVKGPMEUBV-MGPUTAFESA-N 403.288 -0.850 50 20 HBGD O=C(CCBr)N1CCO[C@]2(CCN(C(=O)Cn3ccncc3=O)C2)C1 1782662048 ORDKZPQTLNSZHW-INIZCTEOSA-N 413.272 -0.142 50 20 HBGD C[C@H](Br)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCO2 1783533842 KRFJORLBWUZUNM-BJJXKVORSA-N 420.304 -0.750 50 20 HBGD CN(C)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1786720077 OKICIPPLTKIBEL-JQFCIGGWSA-N 418.498 -0.770 50 20 HBGD CC[C@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(CCO)CCO)C[C@@H]21 1789865646 YWUWLMAJXGZYHZ-VGWMRTNUSA-N 405.923 -0.730 50 20 HBGD CCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(B(O)O)c2)cn1 1795737337 SUUSQCUCIBLCGD-XEMDLRDOSA-N 423.278 -0.159 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(=O)N(C)C 1795900646 MSSXDASXXFBVOY-ZVMOGAGKSA-N 402.455 -0.153 50 20 HBGD O=C1Cc2cc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@@H](O)CCl)C4)ccc2N1 1797329246 UJTHLNBXONUDGD-YXPYIKCWSA-N 407.854 -0.016 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(B(O)O)c1)C2)[C@@H]1C[C@H]2CC[C@@H]1O2 1800789448 PBSUCGNMDHTWED-DQQHVZQSSA-N 414.267 -0.863 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(F)cn1C)C2 1801011094 AYBNBAJMBGMNNZ-IVWMJMPLSA-N 409.462 -0.260 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCC2(CCCN(C(=O)CC[C@@H](N)C(N)=O)C2)CC1 1809827431 VXZCELVVHYWHDB-OAHLLOKOSA-N 424.546 -0.817 50 20 HBGD CC(=O)NCC(=O)NC[C@H]1CCN(C(=O)CCC(=O)NN(C)C)[C@@H]1c1cccnc1 1812624692 OMGBIIYOMAFTIP-OXQOHEQNSA-N 418.498 -0.404 50 20 HBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)Cn2cnnn2)[nH]n1)c1ccc(B(O)O)cc1 1817471304 LIQZWSOHSYNQOR-OAHLLOKOSA-N 424.230 -0.918 50 20 HBGD O=C(c1cc(O)nc(O)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCl)CCO2 1830722432 BVGRMXBZBIJSKC-PXAZEXFGSA-N 415.830 -0.838 50 20 HBGD O=C(CCN1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCl)CCO2 1830722465 CBEHZLRQDGVWKZ-QFBILLFUSA-N 417.934 -0.082 50 20 HBGD Cc1onc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)c1C 1830726323 QBAGEJNXBLZMCI-SUMWQHHRSA-N 401.847 -0.039 50 20 HBGD CC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CBr)C2)C1 1839857475 UTJHYUPWXXJODA-MLGOLLRUSA-N 420.304 -0.390 50 20 HBGD Cc1nc2ccccn2c1C(=O)NNS(=O)(=O)c1ccccc1S(N)(=O)=O 741645804 FNYFKIHHBOUAEM-UHFFFAOYSA-N 409.449 -0.087 50 20 HBGD Cn1cc(S(=O)(=O)NCC(=O)NNC(=O)c2cccc(Br)c2)cn1 742769938 WYHWNGHHGKPFRT-UHFFFAOYSA-N 416.257 -0.078 50 20 HBGD COC(=O)c1c(C)cccc1S(=O)(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 747406448 BADUYNJNWLGSBA-SNVBAGLBSA-N 405.454 -0.539 50 20 HBGD COC(=O)/C=C/c1ccc(S(=O)(=O)NNC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 747607698 BSUJVGSKRWWBKL-RPTYSRGTSA-N 417.465 -0.448 50 20 HBGD Cc1c(C(=O)O)cc(Cl)cc1S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 763433988 LCBDAAXUKQOOOX-ZETCQYMHSA-N 413.861 -0.406 50 20 HBGD CC(C)(CNC(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)NS(C)(=O)=O 763499839 GGVVTBFADDWUDL-UHFFFAOYSA-N 409.509 -0.051 50 20 HBGD CCOC(=O)NNC(=O)C(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)COC)cc1 765405625 QURGRADGOQERFO-JTQLQIEISA-N 402.429 -0.284 50 20 HBGD CCOC(=O)NNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1C 765406147 XZHPHDSXCOSYLK-UHFFFAOYSA-N 414.440 -0.268 50 20 HBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)CCC(=O)N1CCN(c2ncccn2)CC1 772189735 CAUZSRFVWMIVSE-ZDUSSCGKSA-N 406.443 -0.606 50 20 HBGD Cn1cc(S(=O)(=O)N2CCC(NS(=O)(=O)CBr)CC2)cn1 782455790 VGWVEYWSOKMHRB-UHFFFAOYSA-N 401.308 -0.155 50 20 HBGD Cc1c(C(=O)OCC(=O)NNC(=O)c2cccc(C#N)c2)nnn1-c1ccn(C)n1 814576995 FBCZZUIWSMCOIF-UHFFFAOYSA-N 408.378 -0.201 50 20 HBGD C[C@H](C(=O)N(C)CC(=O)NNC(=O)c1csc(N2CCOCC2)n1)n1cccn1 917496349 VAPGABGWHXAVQH-GFCCVEGCSA-N 421.483 -0.343 50 20 HBGD O=C(CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1)NNC(=O)c1ccccc1Cl 1319494294 RKJQHYMCCJOOJY-CYBMUJFWSA-N 414.915 -0.094 50 20 HBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](F)Cl)C2)[C@@H](O)N1CCOCC1 1779413581 QRGQIFXSUKCJAT-BQGCOEIASA-N 407.870 -0.315 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)c3nccnc3C(N)=O)C2)C1 1779880088 ZDLARUNJLJBMIT-DIFFPNOSSA-N 411.846 -0.727 50 20 HBGD CN1CCC(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)CC1 1783932947 MEFDKAKLUYGLCP-FQEVSTJZSA-N 409.531 -0.469 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc[n+]([O-])c1)CCO2 1783936955 YUVYRJVKEOJBIE-IBGZPJMESA-N 405.455 -0.864 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(CN(C(=O)/C=C/c3cnccn3)CCO2)C1 1783937375 HKLYNJDLBOZTTR-GECPCNCSSA-N 416.482 -0.307 50 20 HBGD CC[C@H](C)[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]2C1 1791288085 WBWATKKIEFSAJP-GMHRPJKWSA-N 412.531 -0.254 50 20 HBGD CC[C@@H](C)[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1C(=O)NN)C2 1793395891 SQIPJDPTPPBWQA-XIUQWWLSSA-N 419.482 -0.705 50 20 HBGD COC[C@@H](Cl)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc([N+](=O)[O-])cn1 1794006582 PLBFETBHUIYATI-NDPMZMCLSA-N 415.834 -0.365 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(F)(F)C(F)F)C2)c1ccc(B(O)O)cc1 1795732809 LBAVZZLIOIJCLK-PTEHBNRSSA-N 418.152 -0.530 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCSC1)C2)c1cccc(B(O)O)c1 1795740772 GNTBVTHMPIEAGE-CUSZFKRNSA-N 418.324 -0.287 50 20 HBGD CCS(=O)(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(Cl)Cl 1801015291 BRFKIAHQKJAGAE-MMWGEVLESA-N 416.327 -0.293 50 20 HBGD CN1CC(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)[C@@H]2c2cccnc2)C1 1813608005 MKJVEJPLKGFVJE-FXAWDEMLSA-N 422.294 -0.357 50 20 HBGD O=C(Nc1cc([C@H]2CCCCN2C(=O)c2ccc(B(O)O)cc2)[nH]n1)[C@H](O)CCl 1814870066 HXVXXRXPDMTGPC-HUUCEWRRSA-N 420.662 -0.005 50 20 HBGD CN[C@H](CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](O)CCl)CC2)C(=O)O 1815072919 MHGNKUGXSNVGCL-FXBDTBDDSA-N 404.876 -0.283 50 20 HBGD O=C(N[C@H]1CCc2nc(NC(=O)c3nc[nH]n3)sc2C1)c1ccc(B(O)O)cc1 1816025525 GMFBWRYFGKFDMM-NSHDSACASA-N 412.240 -0.519 50 20 HBGD O=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)=NN1 1817476234 MQDNYECXODTFMW-HNNXBMFYSA-N 424.226 -0.729 50 20 HBGD CN1CC(C(=O)N[C@@H]2CCc3nc(NC(=O)CCC(=O)NN(C)C)sc3C2)C1 1826091728 AGVZEPDSZAZWLS-GFCCVEGCSA-N 408.528 -0.010 50 20 HBGD CC(C)(CCl)C(=O)N1CCOC[C@@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1837355323 CACPADLWSLCCGU-QGZVFWFLSA-N 400.863 -0.416 50 20 HBGD C[Si](C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1837714799 OSGLHAAWBHTZOH-MPGHIAIKSA-N 415.563 -0.983 50 20 HBGD O=C(Cn1ccnn1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)Br)CCO2 1839199577 QJKFEVSKHRGPSV-GXTWGEPZSA-N 420.239 -0.575 50 20 HBGD CC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](F)Br)C2)C1 1839860302 NQVJFVUCSDWDAG-GXTWGEPZSA-N 410.240 -0.731 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(C)=O)C2)C1 1840155803 ICRUVDJURBCSHG-IFIJOSMWSA-N 405.879 -0.779 50 20 HBGD C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1840164723 PQLLIKUBBYFAQG-SUMWQHHRSA-N 402.517 -0.866 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC=CO3)C2)C1 1840185657 RWVSAHXKJMKUAW-OXQOHEQNSA-N 424.498 -0.492 50 20 HBGD Cc1n[nH]cc1C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840185822 TZNFZBOBZPFPQC-IBGZPJMESA-N 422.486 -0.839 50 20 HBGD CC(C)n1cnc(C(=O)N2CC3(CCCN3C(=O)c3cnccc3C(=O)NN)C2)n1 1844264062 AAQDTGVKNORVHY-UHFFFAOYSA-N 412.454 -0.012 50 20 HBGD O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 15639569 SAQCCGKRFYWKPR-NSHDSACASA-N 412.424 -0.373 50 20 HBGD C[C@H](C(=O)NC1CC1)N1CCN(C(=O)NNC(=O)CNC(=O)c2ccco2)CC1 728952415 XKMAYKWITQMWRT-GFCCVEGCSA-N 406.443 -0.965 50 20 HBGD CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 736072737 RHBAYAFMDHYJCB-XQQFMLRXSA-N 403.505 -0.276 50 20 HBGD CCS(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1 758031547 WPDCBFWLQISRTN-QMMMGPOBSA-N 411.889 -0.168 50 20 HBGD Cc1cc(C(=O)NNC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)n[nH]1 763118583 GIOZFNIUOLIDPT-UHFFFAOYSA-N 413.481 -0.196 50 20 HBGD Cc1cc(C(=O)NNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)c(C)n1-c1ccccc1 763602636 RLUYFHBBBUGFSR-GFCCVEGCSA-N 421.479 -0.352 50 20 HBGD C[C@H](O)c1cn(CC(=O)NN(C)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nn1 783704613 PSNKRMLHROOCMZ-LBPRGKRZSA-N 411.463 -0.033 50 20 HBGD C[C@@H](NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)c1ncnn1C 788891822 WTDJMNFSKWSYOB-GFCCVEGCSA-N 423.503 -0.467 50 20 HBGD Cc1cc(S(=O)(=O)NNC(=O)[C@@H]2CCc3nncn3C2)ccc1OCC(=O)O 793451335 RIWLVHUWVRQQAO-LLVKDONJSA-N 409.424 -0.378 50 20 HBGD CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)O1 1320618075 MOSCOCUNSDCFMW-FZMZJTMJSA-N 416.438 -0.487 50 20 HBGD CN(C)N(C(=O)CCC(=O)N1CCN(c2ncccn2)CC1)[C@@H]1CCS(=O)(=O)C1 1324087378 WILGKJGSMLEGDR-OAHLLOKOSA-N 424.527 -0.602 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@]2(CN(C(=O)c3cnoc3)CCO2)C1 1779029837 AFYRZCPPJDRUQW-GOSISDBHSA-N 400.395 -0.570 50 20 HBGD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](F)Cl)C2)[C@H](O)N1CCOCC1 1779413584 QRGQIFXSUKCJAT-OSRSDYAFSA-N 407.870 -0.315 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1csc(N)n1)CCO2 1783933740 GOILDYKFTMZWFA-QGZVFWFLSA-N 410.500 -0.458 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NN(C)C)C2)C1 1783937566 UTGFIVVVGXNHSO-BLLLJJGKSA-N 419.320 -0.027 50 20 HBGD N[C@@H](Cc1cscn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784090832 NZFXXSMGMGUAIW-RCXZEQIESA-N 416.931 -0.408 50 20 HBGD COC[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3C(=O)NN)C[C@@H]21 1784609218 NESKILLIOYIFCJ-PYTWLRIVSA-N 419.482 -0.439 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 1784850306 HDECQVHRBRTRNN-NARAOEGZSA-N 415.450 -0.979 50 20 HBGD Cc1cn(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](F)Cl)CCO3)c(=O)nc1O 1785351537 SXCUNOXAKOXJTM-WBMJQRKESA-N 402.810 -0.378 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)c1cncnc1 1786114126 DKPJCSUYZWFMGZ-WBAXXEDZSA-N 410.239 -0.937 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc(O)n3c1CCCC3)C2)[C@@H](O)CCl 1792981415 YINMVQCGAKYFIQ-XCCSTKFXSA-N 412.874 -0.272 50 20 HBGD C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](F)Cl)[C@@H]1SC(=N)NC1=O 1796363704 YWSOISFXALQKBP-CQZONYGUSA-N 406.867 -0.087 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCl)C2)[C@H]1CC(c2ccccc2)=NN1 1800153789 ULEOGRAYFDBZIG-QKGUJMCYSA-N 420.897 -0.058 50 20 HBGD C[C@@H](Br)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(O)nc1O)C2 1800757663 NPXHFKCUCCEVFQ-SDNRWEOFSA-N 415.244 -0.126 50 20 HBGD CN(C)C(=O)C(=O)N1CCC2(CCCN(C(=O)c3cccc(B(O)O)c3)C2)CC1 1809976536 BMZWEOIZLZVNFU-UHFFFAOYSA-N 401.272 -0.701 50 20 HBGD Cn1cnc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cccc(B(O)O)c3)n[nH]2)n1 1817473514 YBCWVBXNYNBCQZ-HNNXBMFYSA-N 423.242 -0.162 50 20 HBGD COc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)CCl)C3)C2)n1 1833761456 JNCYAYVQRQFAOJ-KSSFIOAISA-N 413.858 -0.240 50 20 HBGD CC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(B(O)O)cc3)C2)C1 1839144072 PNWLBBXEMSZXJZ-APWZRJJASA-N 424.690 -0.546 50 20 HBGD O=C(c1cnc(O)[nH]1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](F)Br)CCO2 1839200432 KOGOHUQVEKXQBU-QMTHXVAHSA-N 421.223 -0.124 50 20 HBGD COC[C@H](Cl)C(=O)N1CCCC12CN(C(=O)CS(=O)(=O)N1CCCC1)C2 1846362051 GKYCATIOUPQHHY-ZDUSSCGKSA-N 407.920 -0.131 50 20 HBGD O=C(Cn1c(O)nc2ccccc2c1=O)NNC(=O)C1CCN(c2ncccn2)CC1 728846500 YRFSKCBQODWLJZ-UHFFFAOYSA-N 423.433 -0.044 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)CCCOc1ccc(S(C)(=O)=O)cc1 729276893 NNMMTAAVEJKSCJ-NSHDSACASA-N 421.497 -0.666 50 20 HBGD CS(=O)(=O)[C@H]1CCCC1=NNC(=O)C(=O)NN=C1CCC[C@@H]1S(C)(=O)=O 741451014 AGUVHESBMNQHDH-RYUDHWBXSA-N 406.486 -0.875 50 20 HBGD CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 746103501 SQBQRXJVQKBVFE-ZJUUUORDSA-N 402.433 -0.591 50 20 HBGD COCCO[C@@H](C)C(=O)NNC(=O)NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 748626231 CHNRYBWHCNUPRZ-BBATYDOGSA-N 407.427 -0.377 50 20 HBGD CS(=O)(=O)N1CCN(c2ccc(NC(=O)NNC(=O)c3ccc[nH]3)cn2)CC1 756550944 UPKBWPZTRGVZBI-UHFFFAOYSA-N 407.456 -0.042 50 20 HBGD O=C(COC(=O)c1cc2n(n1)CCCO2)NNC(=O)[C@@H]1COc2ccccc2O1 763359218 HWSBVRGDTAAMPE-AWEZNQCLSA-N 402.363 -0.190 50 20 HBGD CCN1CCO[C@H](C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)C1 766648047 GWULZIDEPORPIE-KRWDZBQOSA-N 403.483 -0.688 50 20 HBGD COC(=O)N1CC(NC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)C1 770426204 MRSHJAOZSWBWHJ-UHFFFAOYSA-N 413.456 -0.603 50 20 HBGD COc1ccnc(NNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)n1 914763275 GIKWPRXZULISIJ-UHFFFAOYSA-N 406.424 -0.637 50 20 HBGD Cn1c(=O)nc(O)c2nc(CCC(=O)NNC(=O)c3cc(Br)c[nH]3)[nH]c21 920273824 CDSWHTMZNDNUAV-UHFFFAOYSA-N 424.215 -0.153 50 20 HBGD C[C@H]1CN(C[C@H](C)C(=O)NN=Cc2nc3c(c(O)nc(=O)n3C)n2C)C[C@@H](C)O1 920371584 UHPINVGZGZYYBI-SDDRHHMPSA-N 405.459 -0.432 50 20 HBGD COC(=O)C(=O)NNC(=O)NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 1116432208 RFHUWMSBRIWYAD-UHFFFAOYSA-N 413.330 -0.138 50 20 HBGD C[C@H]1CN(c2ccnc(C(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)c2)C[C@@H](C)O1 1116799967 MSSIFERZZBSGIN-XQQFMLRXSA-N 411.484 -0.174 50 20 HBGD O=C(NNC(=O)c1n[nH]cc1I)N[C@H]1CCS(=O)(=O)C1 1338133690 LUVHTJBWZUWSTL-YFKPBYRVSA-N 413.197 -0.855 50 20 HBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCCO3)C[C@@H]21 1788609729 DLRITUMAQOIHQV-SJWGOKEGSA-N 417.466 -0.543 50 20 HBGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(O)nc3O)C[C@@H]21 1791253982 GKDVZGNUXJILBO-SYEHKZFSSA-N 414.846 -0.265 50 20 HBGD O=C(CN(CCO)CCO)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCBr 1795496157 SYTPHUISZWDCCH-BTTYYORXSA-N 406.321 -0.304 50 20 HBGD CC(=O)NCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(B(O)O)cc2)[C@@H]1c1cccnc1 1812617478 OFJIQPZWSGYKGA-FXAWDEMLSA-N 424.266 -0.783 50 20 HBGD N#CC1(C(=O)N2CCC(N3CCC(NC(=O)c4ccc(B(O)O)cc4)CC3)CC2)CC1 1834797986 SROSRIFUQDWOAM-UHFFFAOYSA-N 424.310 -0.145 50 20 HBGD O=C(c1cc2cn[nH]c2cn1)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 1843011640 YZTPZGYDIFQOQQ-UHFFFAOYSA-N 405.223 -0.232 50 20 HBGD COc1cc(OC)cc(C(=O)NNC(=O)NCCS(=O)(=O)N2CCOCC2)c1 52303159 GZHJUZWXXPKECG-UHFFFAOYSA-N 416.456 -0.690 50 20 HBGD COC(=O)c1ccc(Cl)c(S(=O)(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)c1 728510268 VPBIKDOEVYCMIU-SSDOTTSWSA-N 413.861 -0.626 50 20 HBGD O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NNC(=O)N1CCOCC1 746520400 YAJKVBDIXZGNGW-UHFFFAOYSA-N 401.401 -0.664 50 20 HBGD COc1cccc(C(=O)NNC(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)c1O 748070265 KELNKZUGAKUXMG-UHFFFAOYSA-N 413.390 -0.270 50 20 HBGD O=C(COC(=O)Cc1nn(CCO)c(=O)c2ccccc12)NNC(=O)c1ccccc1 750364959 BYDBAEYZFOEPFN-UHFFFAOYSA-N 424.413 -0.064 50 20 HBGD O=C(Cc1cc[nH]n1)NNC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 755259813 AXXNUROSKISFCW-UHFFFAOYSA-N 413.481 -0.575 50 20 HBGD C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cc(Br)cn(C)c1=O 757600631 SVYHGWAXNKLEJS-LURJTMIESA-N 410.250 -0.762 50 20 HBGD O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)NNC(=O)Cn1cccnc1=O 766662686 BDKHRBRHBHXEDS-UHFFFAOYSA-N 418.885 -0.138 50 20 HBGD NS(=O)(=O)c1cccc2c(C(=O)NNC(=O)[C@H]3CCc4nncn4C3)nccc12 816881856 QVWSGZUBJLSUCP-JTQLQIEISA-N 415.435 -0.503 50 20 HBGD CCS(=O)(=O)N1CCC[C@@H](C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1 918551059 LMCZGLXWOYFBQZ-CYBMUJFWSA-N 407.456 -0.515 50 20 HBGD CNS(=O)(=O)Cc1ccc(CNC(=O)NN[C@]2(C)CCS(=O)(=O)C2)cc1 1115854021 WJYPEEYKOKYIBO-OAHLLOKOSA-N 404.514 -0.383 50 20 HBGD COc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(=O)NN(C)C)C3)C2)nn1 1783934446 ABLKUTNJDMAVPO-LJQANCHMSA-N 420.470 -0.698 50 20 HBGD Cc1nnc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(=O)NN(C)C)[C@H]3C2)o1 1791289246 PMGPUCSPQZTVRQ-KKUMJFAQSA-N 422.486 -0.727 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCSCC1)c1ccc(B(O)O)cc1 1792538535 GVADKEZUFHZMBT-BCDXTJNWSA-N 417.340 -0.333 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCSC1)C2)c1ccc(B(O)O)cc1 1795736779 GKRDAFHQXPAMLP-XLMAVXFVSA-N 418.324 -0.287 50 20 HBGD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](F)Br)n1cnnn1 1799352482 YWHLJDHJSDANMY-QUARPLMYSA-N 405.228 -0.486 50 20 HBGD Cc1nn(C)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801010533 CMYUQKJOKBGBGX-ZSBFGKGUSA-N 406.487 -0.695 50 20 HBGD CN(C)NC(=O)CCC(=O)N[C@H]1CCc2nc(NC(=O)c3nc[nH]n3)sc2C1 1816036887 ZIPFGKNFWYXLFE-VIFPVBQESA-N 406.472 -0.140 50 20 HBGD O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(B(O)O)cc1)CC2 1825664580 KXHCMZDLHALZNM-LBPRGKRZSA-N 413.220 -0.863 50 20 HBGD CCC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)CCC(N)=O)C2)C1 1831647156 RHMHOGGXLJMHJW-DEYYWGMASA-N 418.922 -0.557 50 20 HBGD O=C(CCBr)N1CCO[C@@]2(COCCN(C(=O)COCCO)C2)C1 1834823939 NZNVDTJPOHYWIM-HNNXBMFYSA-N 409.277 -0.763 50 20 HBGD COC[C@@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)OC)C2)C1 1840155470 DAMMRGCEXCEZIN-WBMJQRKESA-N 407.851 -0.947 50 20 HBGD CCC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCl)C2)C1 1840851914 WOPGZAMHXLTDCW-DAYGRLMNSA-N 419.906 -0.653 50 20 HBGD O=C(NCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(B(O)O)c1)c1cccnc1 1848137066 IIRDMAGWDPAOEK-ROUUACIJSA-N 422.250 -0.993 50 20 HBGD CCCS(=O)(=O)NC1CCN(C(=O)NNC(=O)CNC(=O)c2ccco2)CC1 725870626 MSGREZYJEQQKGA-UHFFFAOYSA-N 415.472 -0.456 50 20 HBGD CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CCN3CCOC3=O)cc2)CC1 728216021 NCDITVRELDRXQY-UHFFFAOYSA-N 411.484 -0.092 50 20 HBGD C[C@]1(c2ccccc2)NC(=O)N(CC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)C1=O 728385536 YMFXKQYSRNEOFL-APPDUMDISA-N 408.436 -0.964 50 20 HBGD CCN(CC)S(=O)(=O)c1ccc(C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)cc1 729276167 YFZBYMNIWBEJKV-LLVKDONJSA-N 420.513 -0.584 50 20 HBGD Cc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1C 732308364 YCROPMLXSVXNGS-ZDUSSCGKSA-N 417.509 -0.446 50 20 HBGD COc1ccc(OCC(=O)NNC(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)cc1 734684932 BVBFJGYHPHQRCT-MRXNPFEDSA-N 421.498 -0.189 50 20 HBGD CC(C)NC(=O)C(=O)NNC(=O)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 746103886 ZUYBUFIXBBTXOY-AWEZNQCLSA-N 416.438 -0.792 50 20 HBGD CCCOC(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 764002570 NWMUSYZZIUWIEA-LBPRGKRZSA-N 411.436 -0.226 50 20 HBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 764316407 BLGSHQHLAPPAFD-UHFFFAOYSA-N 402.404 -0.611 50 20 HBGD CCOCC(=O)NNC(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1 764327355 YAMLLBZCCMIQIA-UHFFFAOYSA-N 412.830 -0.065 50 20 HBGD COCCOc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COCCO2)cc1Cl 764432617 IPNVDJQYUQWVGO-ZDUSSCGKSA-N 401.803 -0.134 50 20 HBGD CCn1cc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c2ccccc21 766644770 PWSVZBDPLKKOCP-UHFFFAOYSA-N 423.433 -0.131 50 20 HBGD CCOC(=O)c1[nH]c(C)c(S(=O)(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)c1C 768499289 KKODBOSKQKCVQU-VIFPVBQESA-N 410.474 -0.945 50 20 HBGD C[C@H]1C[C@@H](NC(=O)NNc2nc(O)c3cnn(C)c3n2)C(=O)N1c1cnn(C)c1 770399219 LAQRGUHTWCKSGG-GZMMTYOYSA-N 400.403 -0.378 50 20 HBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 772162573 VCJMWBYXCCTVEU-MNOVXSKESA-N 410.452 -0.007 50 20 HBGD CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2ccncc2)cc1 912768948 QJYYUJYIJVOEGT-UHFFFAOYSA-N 406.420 -0.002 50 20 HBGD Cn1nccc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cnccc3C(=O)NN)C2)C1 1779030936 KNYLYAQMXGRRSQ-IBGZPJMESA-N 413.438 -0.824 50 20 HBGD CCC[C@H](Cl)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1779087961 OUFMMIQUQRCYAJ-ZVZYQTTQSA-N 403.907 -0.126 50 20 HBGD NC(=O)NCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCBr)C2 1783284369 BCNMZTSQOWGMSP-IAQYHMDHSA-N 405.293 -0.046 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21)[C@H]1CCCCO1 1783610823 SFOCXIDXDWFDFQ-KANFNMMFSA-N 416.283 -0.471 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)N1CCN(C)CC1)CCO2 1783879878 BIDPPKUAAXRTAB-TXPKVOOTSA-N 416.950 -0.294 50 20 HBGD CN[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CO[Si](C)(C)C)C[C@@H]21)C(=O)O 1786895849 RELHHOWVBLXXPA-XQLPTFJDSA-N 415.563 -0.120 50 20 HBGD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccns3)C[C@@H]21)c1ccc(B(O)O)cc1 1786979405 FJGUPQWBZCUBLB-BPUTZDHNSA-N 415.280 -0.270 50 20 HBGD COC[C@@H](Cl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)N(C)C)C[C@@H]21 1791250500 HPMHSDMDAXZWLB-FQUUOJAGSA-N 404.895 -0.509 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCNC(=O)C3)[C@H]2C1 1791349882 QKRFWXGKSDAFCB-YTFOTSKYSA-N 401.891 -0.254 50 20 HBGD Cc1onc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c1C 1793582915 FHDMPSZMLOAZLN-JLVBRIDZSA-N 413.239 -0.512 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(Cl)Cl)C2)c1cccc(B(O)O)c1 1795740665 HEEDFOVWJBDOAX-PTEHBNRSSA-N 401.055 -0.627 50 20 HBGD Cn1ncnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Br)C2)C1 1833844626 VMKMVTAMYGBXBL-QMTHXVAHSA-N 420.239 -0.424 50 20 HBGD C[C@H](Br)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3nccn3)C2)C1 1840034701 USUZKFCBLUESHU-SWLSCSKDSA-N 416.276 -0.482 50 20 HBGD CC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](Cl)COC)CCO2)C1 1840149406 OFMZPBXABASTPZ-MPGHIAIKSA-N 419.906 -0.389 50 20 HBGD CN1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Br)C3)C2)C1 1840571823 RHORQYCDHCQKRY-WFASDCNBSA-N 408.268 -0.305 50 20 HBGD CC[C@H](Br)C(=O)N1CC2(CCCN2C(=O)CN2CC(=O)NC2=O)C1 1841892449 IKYSOHMCMHFEMX-JTQLQIEISA-N 401.261 -0.085 50 20 HBGD Cc1nc(C(=O)N2CCCC23CN(C(=O)c2cccc(B(O)O)c2)C3)c(=O)[nH]c1C 1842182380 KHAWXWJLWBDIAS-UHFFFAOYSA-N 410.239 -0.803 50 20 HBGD Cc1cc(NC(=O)CC(=O)N2CCCC23CN(C(=O)CCC(=O)NN(C)C)C3)no1 1843401299 DHBYRWYNBGVWGB-UHFFFAOYSA-N 420.470 -0.112 50 20 HBGD O=C(CN1C(=O)c2ccc(Br)cc2C1=O)NNC(=O)C(=O)NC1CC1 10213999 RIIIBRJGPLLRKV-UHFFFAOYSA-N 409.196 -0.529 50 20 HBGD Cn1nccc1C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 116312126 BUEISLATWMRTRH-UHFFFAOYSA-N 421.479 -0.165 50 20 HBGD C[C@H]1NC(C(=O)NNC(=O)CNC(=O)c2cccs2)=NN(c2ccccc2)C1=O 725741563 QFEVRAFXAZYAPH-LLVKDONJSA-N 414.447 -0.036 50 20 HBGD CCOc1ccc(S(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1C(=O)O 727720623 SOOXAFOVJUQKIB-SECBINFHSA-N 406.438 -0.472 50 20 HBGD C[C@H]1CN(CCC(=O)NNC(=O)CN2C(=O)NC3(CCCCC3)C2=O)C[C@H](C)O1 732260605 WHBCTJDTPVVXTH-KBPBESRZSA-N 409.487 -0.112 50 20 HBGD COc1ccccc1-n1cc(S(=O)(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)cn1 743250257 CMWVTSURGDNDMQ-LLVKDONJSA-N 414.465 -0.375 50 20 HBGD Cc1c(CS(C)(=O)=O)cccc1NC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 756598588 UKBQKVMKBKZCDQ-SNVBAGLBSA-N 406.486 -0.370 50 20 HBGD CN(C)CCn1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)n1 763576546 CIGGFPKPOFXNEB-AWEZNQCLSA-N 402.411 -0.629 50 20 HBGD Cc1cc(NC(=O)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)cnc1Br 764230242 GPXVSOCUBOYKNH-ZETCQYMHSA-N 422.261 -0.824 50 20 HBGD COc1cc(O)c(C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)cc1OC 768356709 ZXAZMZOLXKFPJQ-UHFFFAOYSA-N 409.424 -0.556 50 20 HBGD N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)NNC(=O)c1cccs1 769187503 ZYFCPCVXILNHAL-UHFFFAOYSA-N 422.444 -0.098 50 20 HBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1sccc1S(=O)(=O)N1CCOCC1 771967544 IOISJHLABGHTGG-JTQLQIEISA-N 419.481 -0.128 50 20 HBGD Cc1oc(C2CC2)nc1C(=O)NNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 802762854 NWCZZBCZCYOXIH-UHFFFAOYSA-N 401.383 -0.931 50 20 HBGD Cc1ccc(C)c(OCC(=O)NNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c1 914829664 JYPYEBKBNNXLSZ-HUUCEWRRSA-N 423.491 -0.135 50 20 HBGD Cc1nccc(CNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)n1 918106862 UIZFVKWWPUJKCG-UHFFFAOYSA-N 420.499 -0.058 50 20 HBGD C[C@H]1Oc2ccccc2N(CCC(=O)NNC(=O)N[C@H]2CCS(=O)(=O)C2)C1=O 919889306 KSLPSLSVYHJBKT-NEPJUHHUSA-N 410.452 -0.292 50 20 HBGD O=C(CN1CCCC1=O)NNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 920435382 HFXAVCKAVLZYIF-AWEZNQCLSA-N 408.480 -0.143 50 20 HBGD COCCCNC(=O)NNS(=O)(=O)c1cc(C(=O)OC)cc(C(=O)OC)c1 920832804 AKDNRZTYQBXWMH-UHFFFAOYSA-N 403.413 -0.211 50 20 HBGD O=C(NNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1n[nH]c2c1CCCC2 1322511665 ZUCNRDPFBNODMD-ZDUSSCGKSA-N 404.471 -0.770 50 20 HBGD NNC(=O)c1ccncc1C(=O)N1CC[C@@]2(CN(C(=O)c3cnco3)CCO2)C1 1779029486 STSJJCUJOWLBPT-SFHVURJKSA-N 400.395 -0.570 50 20 HBGD C[C@H](Cn1cncn1)C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1779223339 HHQQVZLILJPFTO-DNVCBOLYSA-N 421.502 -0.883 50 20 HBGD CC(C)(CCl)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(CCO)CCO)C[C@@H]21 1783852765 MUJPCYWLJWKODZ-JYJNAYRXSA-N 419.950 -0.482 50 20 HBGD NC(=O)c1ccccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CCl)[C@H]2C1 1784091900 CAOOKRYFISGHHI-KSYCFECVSA-N 409.870 -0.022 50 20 HBGD C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1)n1cccn1 1784520564 UPOSTZNTXZAYDP-QRWLVFNGSA-N 412.255 -0.732 50 20 HBGD Cc1cccnc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(B(O)O)cc3)[C@H]2C1 1786980090 IJTAHTWEHWNEDW-WDSOQIARSA-N 423.278 -0.023 50 20 HBGD CC[C@@H](Br)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21 1790962191 XGJNWPWLBVLTHA-RVMXOQNASA-N 415.292 -0.174 50 20 HBGD CN(C)NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCCO3)C[C@@H]21 1791286496 GAPFQKAUUDAVDK-QAETUUGQSA-N 410.515 -0.092 50 20 HBGD COC[C@H](Cl)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)n2[nH]cnc2n1 1796186740 XVNGCYPEFCHNJE-USZNOCQGSA-N 408.846 -0.077 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(B(O)O)cc1)c1cnn2c1OCCC2 1796189540 ZXGFFLNUGQEOQA-BJWYYQGGSA-N 424.266 -0.089 50 20 HBGD O=C(CCc1ccc(O)nn1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796192944 CUCCAGLNSDQERX-BCDXTJNWSA-N 424.266 -0.253 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCl)C2)c1cnc2snnc2c1 1798502379 GFLCAKBZFAUIQN-LYIQGSDWSA-N 411.871 -0.111 50 20 HBGD CC[C@H](O)C(=O)N1CC[C@@H](CNC(=O)c2cccc(B(O)O)c2)[C@H]1c1cccnc1 1807365296 MOWFKWJVPQXQDO-YTQUADARSA-N 411.267 -0.148 50 20 HBGD C[C@H](CN)C(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2C1 1815339443 FZNWOIZHCWDBOQ-MFKMUULPSA-N 402.285 -0.357 50 20 HBGD CN[C@H](CC(=O)NC1CCN(C2CCN(C(=O)[C@H](O)CCl)CC2)CC1)C(=O)O 1834740780 VBAKOCOJVFHYIB-HUUCEWRRSA-N 418.922 -0.780 50 20 HBGD CCC(=O)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(B(O)O)cc3)CC2)CC1 1834799319 VHRQRBGRBLIEDH-UHFFFAOYSA-N 415.299 -0.469 50 20 HBGD COCCOCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](Cl)COC)C2)C1 1835247965 FQYPDKXNHZNVGQ-RHSMWYFYSA-N 408.879 -0.640 50 20 HBGD Nc1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)CCl)C3)C2)s1 1835839726 DJRSETYJAGFSIP-BMIGLBTASA-N 404.876 -0.605 50 20 HBGD COC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1 1840182329 HGUYPTDHFWBBDS-DNVCBOLYSA-N 414.503 -0.902 50 20 HBGD CN1N=C(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(Cl)Cl)CCO3)CCC1=O 1840186617 LOAIXQQARQKPEY-INIZCTEOSA-N 421.281 -0.145 50 20 HBGD COC(=O)[C@H]1CC[C@H](C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)C1 1843010514 WWCIHLNRXRZEQY-HOTGVXAUSA-N 414.267 -0.227 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCCC12CN(C(=O)c1c(O)cc(O)cc1O)C2 1846385707 MHTLBVOSORUVRU-UHFFFAOYSA-N 406.439 -0.007 50 20 HBGD CCC(=O)NNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 731848698 LSAVJVXCSISHQB-GFCCVEGCSA-N 408.484 -0.185 50 20 HBGD O=C(NCCS(=O)(=O)NC[C@H]1CCCCO1)NNC(=O)c1ccccc1O 732474648 RWUWHCXNMRDKDR-GFCCVEGCSA-N 400.457 -0.175 50 20 HBGD Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 735652699 PMLTYHBRTWGGDH-KBPBESRZSA-N 407.456 -0.717 50 20 HBGD CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NNC(=O)CNC(=O)c1ccco1 751202498 FHYPEXCXGSXHDD-GFCCVEGCSA-N 400.457 -0.249 50 20 HBGD CCC(=O)NNC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 755535819 NRWWCKQROBLAFC-NSHDSACASA-N 404.470 -0.285 50 20 HBGD C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)Nc1cccc(OCC(=O)N(C)C)c1 755960182 FTMQLYWIPLMRBW-SNVBAGLBSA-N 401.445 -0.756 50 20 HBGD CCN1CCC[C@H]1CN1C[C@@H](C(=O)NNC(=O)C(=O)Nc2ccccn2)CC1=O 758830288 JENMYXNTOVPXDM-KBPBESRZSA-N 402.455 -0.500 50 20 HBGD CCCNC(=O)c1ccc(NC(=O)C(=O)NNC(=O)[C@H]2COCCO2)cc1Cl 764426959 WXGJBUDCKQEJFN-CYBMUJFWSA-N 412.830 -0.019 50 20 HBGD C[C@@]1(c2cccc(C(=O)NNC(=O)CNC(=O)c3cccnc3)c2)NC(=O)NC1=O 769253588 NQRVPRXFXGYXFH-IBGZPJMESA-N 410.390 -0.673 50 20 HBGD CCC(=O)NNC(=O)[C@H](C)OC(=O)c1cccc(S(=O)(=O)NCCOC)c1 771985727 QEUAGDAJWSNVEB-NSHDSACASA-N 401.441 -0.286 50 20 HBGD C[C@@H](c1ccc(NC(=O)C(=O)NNC(=O)C(=O)N2CCCC2)cc1)N1CCOCC1 784002538 GQMLIGRIGDKPFK-AWEZNQCLSA-N 417.466 -0.212 50 20 HBGD CN1CCN(C(=O)NNC(=O)CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 807378683 JRQSBMCWKCRGIN-ZDUSSCGKSA-N 412.491 -0.510 50 20 HBGD C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(B(O)O)c3)CCO2)C1 1778969223 GJOYOOHMDOKHPA-UWJYYQICSA-N 416.283 -0.617 50 20 HBGD O=C(CN1CCOC1=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](F)Br)C2)C1 1781324590 AIBLNIMXXOPBJU-RISCZKNCSA-N 408.224 -0.041 50 20 HBGD C[C@H](C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NN(C)C)CCO2)C1)n1ccnn1 1782762153 DXTITBBPFDWLPN-KDOFPFPSSA-N 407.475 -0.958 50 20 HBGD CC(C)(O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(B(O)O)cc3)C[C@@H]21 1786651142 PGPRJBKMNKILKN-XIRDDKMYSA-N 404.272 -0.879 50 20 HBGD NC(=O)[C@H](N)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](F)Br)C[C@@H]21 1786891554 ZFJXEFAGLLWKCD-XPORZQOISA-N 423.283 -0.751 50 20 HBGD CO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C(=O)NN)[C@H]2C1 1788609745 FRVXDGAROBUDPM-KNPMLCFXSA-N 405.455 -0.687 50 20 HBGD NNC(=O)c1ccncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(F)CC3)C[C@@H]21 1788609790 KGGQRXYCHXOCPR-CQDKDKBSSA-N 405.430 -0.220 50 20 HBGD CCOC(=O)C1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)CCl)C[C@@H]32)CC1 1790717882 KFNSPEJYBBDOMG-XUXIUFHCSA-N 402.875 -0.091 50 20 HBGD CC(C)(CCl)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CC(=O)NC1=O)C2 1792782663 YYBZYFNLKIGEHB-GNXNZQSNSA-N 400.863 -0.607 50 20 HBGD C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(B(O)O)c1 1796189653 LZANCPBASYFJHQ-JCNVWAKMSA-N 411.267 -0.523 50 20 HBGD NNC(=O)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCO1)C2 1797750442 DSJBNOWOUQPCES-NOXHYTERSA-N 403.439 -0.933 50 20 HBGD Cn1nncc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cccc(B(O)O)c2)[nH]n1 1816034216 SYOVNSGLGXSFJG-HNNXBMFYSA-N 423.242 -0.162 50 20 HBGD Cn1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)cn1 1830737742 IRRRGKNBOOPVKY-YOEHRIQHSA-N 400.863 -0.981 50 20 HBGD CC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1839146475 ZNMQMUHIDJGXNB-YXJHDRRASA-N 419.906 -0.889 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3nc(C)no3)C2)C1 1840151837 ORDRFIDUFXWFGS-GUYCJALGSA-N 416.862 -0.369 50 20 HBGD COC[C@H](Cl)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnnc3O)C2)C1 1840154516 XZYGCYNLBIPYSQ-SUMWQHHRSA-N 414.846 -0.494 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC3(F)F)C2)C1 1840184194 CCHFDZYOPLVQAA-GUYCJALGSA-N 418.441 -0.529 50 20 HBGD O=C(c1ccc(Cl)nn1)N1CC2(CCCN2C(=O)c2cccc(B(O)O)c2)C1 1843014276 SVOIBFLZCZNMGX-UHFFFAOYSA-N 400.631 -0.059 50 20 HBGD O=C(CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(B(O)O)cc1)N1CCCC1 1848054686 ZBODYTIFMFSCTC-ROUUACIJSA-N 413.283 -0.416 50 20 HBGD Cn1nc(C(=O)NNC(=S)NCCCN2CCOCC2)c2ccccc2c1=O 38291500 YTOXBYDOBJFFNW-UHFFFAOYSA-N 404.496 -0.235 50 20 HBGD Cc1csc(CC(=O)NNC(=O)COC(=O)CC2(CS(C)(=O)=O)CC2)n1 747060606 DOYCPZYUESNBHI-UHFFFAOYSA-N 403.482 -0.100 50 20 HBGD COc1ccccc1CC(=O)NNC(=O)NCCNS(=O)(=O)Cc1ccon1 750288060 CRBCFCOAZHITIR-UHFFFAOYSA-N 411.440 -0.324 50 20 HBGD COc1nccnc1NNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 764470621 IGBJTDPSUXSTCB-UHFFFAOYSA-N 406.424 -0.637 50 20 HBGD Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2cccc(-n3cccn3)c2)n(C)c1=O 764818978 YFRZSCOQVOYCCM-UHFFFAOYSA-N 406.406 -0.230 50 20 HBGD Cn1cc(CN2CCN(CC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)CC2)cn1 772749308 DCQPUNWEOXPHNC-UHFFFAOYSA-N 401.427 -0.093 50 20 HBGD COc1ccc(-c2cc(C(=O)NNC(=O)Cn3ncn(C)c3=O)n[nH]2)cc1OC 778947902 UEJPRYXKEGRNMF-UHFFFAOYSA-N 401.383 -0.550 50 20 HBGD O=C1CN(S(=O)(=O)c2cccc(C(=O)NNc3nc4ccccn4n3)c2)CCN1 791243924 TWJFDCYZDCBPKT-UHFFFAOYSA-N 415.435 -0.393 50 20 HBGD COCCO[C@H](C)C(=O)NNC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F 806564620 DTMMMYFKKLKGEW-RKDXNWHRSA-N 408.399 -0.809 50 20 HBGD Cn1nc(SCC(=O)NN=C2CCN(Cc3ccccc3)C2)c(=O)n(C)c1=O 839409958 AGXQQDZNZHQSQW-UHFFFAOYSA-N 402.480 -0.051 50 20 HBGD CCS(=O)(=O)N1CCC[C@H](C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1 918551060 LMCZGLXWOYFBQZ-ZDUSSCGKSA-N 407.456 -0.515 50 20 HBGD Cn1nc(C(=O)NNC(=O)CS[C@H]2CCS(=O)(=O)C2)c2ccccc2c1=O 1317718612 BCDJMTYUDULDBW-JTQLQIEISA-N 410.477 -0.385 50 20 HBGD Cc1csc(CC(=O)NNC(=O)CN2CCN(C(=O)N3CCOCC3)CC2)n1 1334124261 DQIFESWAMIJLMV-UHFFFAOYSA-N 410.500 -0.789 50 20 HBGD COC[C@@H](Cl)C(=O)N1CC[C@@]2(CN(C(=O)c3cnc(O)nc3O)CCO2)C1 1783875106 JZRMCAYXGDLECY-BZNIZROVSA-N 400.819 -0.415 50 20 HBGD COC[C@H](Cl)C(=O)N1CC[C@]2(CN(C(=O)CCN3CCN(C)CC3)CCO2)C1 1783875939 KLARPIOPFDRHGN-LPHOPBHVSA-N 416.950 -0.292 50 20 HBGD CCNC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CCl)[C@H]2C1 1784092111 HHAPQUFCPQASNH-PEDHHIEDSA-N 404.895 -0.727 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/c3cnccn3)C2)C1 1784626025 JBVPHXPGIOJKHZ-HQMUEHRGSA-N 416.482 -0.307 50 20 HBGD Cn1nc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cnccc2C(=O)NN)C3)cc1O 1794627663 BOTPMMOJMUTHTM-ZSBIGDGJSA-N 413.438 -0.310 50 20 HBGD C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NN(C)C 1801011695 VTMDVXODGSWHIL-KRXQYRFLSA-N 410.515 -0.478 50 20 HBGD O=C(CN1CCOCC1)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](O)CCl)CC2 1814558327 QBQDOXMTZXXVBF-CMPLNLGQSA-N 402.904 -0.013 50 20 HBGD O=C(Nc1cc([C@@H]2CCCCN2C(=O)c2nc[nH]n2)[nH]n1)c1cccc(B(O)O)c1 1817475201 MRZWXBGVDSLRHA-AWEZNQCLSA-N 409.215 -0.173 50 20 HBGD COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](O)CCl)CCO3)nn1 1830730724 CHGRRNGFOBURHV-DYVFJYSZSA-N 414.846 -0.845 50 20 HBGD COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)CCl)CCO3)nn1C 1830731242 IOMJOBOTYLFODL-SUMWQHHRSA-N 416.862 -0.902 50 20 HBGD Cn1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](F)Cl)C3)C2)c1=O 1831885282 MHCXZGGZZHTOGF-GUYCJALGSA-N 401.822 -0.010 50 20 HBGD Cc1oncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NN(C)C)C2)C1 1834320628 DXPIAVSZBWWFLL-LJQANCHMSA-N 423.470 -0.574 50 20 HBGD O=C1CC[C@@H](C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](F)Br)CCO3)N1 1839199291 LWKDVFZZFTXQIZ-ITDIGPHOSA-N 422.251 -0.588 50 20 HBGD O=C([C@H]1CCc2nc(O)nc(O)c2C1)N1CC2(CCCN2C(=O)[C@@H](O)CCl)C1 1841350189 MWTDWYIBHSIAAF-GWCFXTLKSA-N 410.858 -0.204 50 20 HBGD COc1cccc(CC(=O)N2CCCC23CN(C(=O)c2ccc(B(O)O)cc2)C3)n1 1841989733 KPMUQMQZACSPBU-UHFFFAOYSA-N 409.251 -0.170 50 20 HBGD CCOC(=O)C1(C(=O)N2CC3(CCCN3C(=O)c3ccc(B(O)O)cc3)C2)CC1 1843012075 ASPWIAMFLKSWLZ-UHFFFAOYSA-N 400.240 -0.473 50 20 HBGD O=C(NCC(=O)N1CCCC12CN(C(=O)c1ccc(B(O)O)cc1)C2)c1ccco1 1843077758 LCVLLAVNYIHAEA-UHFFFAOYSA-N 411.223 -0.794 50 20 HBGD C=CC(=O)N[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1cnccc1C(=O)NN)C2 1844370966 AHPIDJKNTYHCPL-LBPRGKRZSA-N 400.439 -0.807 50 20 HBGD CC(C)N(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 16786049 HHQGJXGFTGNIQB-ZDUSSCGKSA-N 417.509 -0.089 50 20 HBGD NC(=O)c1csc(C(=O)OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1 728336706 ZXRRCZFXZFLWEZ-LBPRGKRZSA-N 405.388 -0.009 50 20 HBGD N#Cc1ccc(C(=O)NNC(=O)CN2CCN(c3ccc(C(N)=O)cn3)CC2)cc1 744387985 HRNRWLMHOKUYBZ-UHFFFAOYSA-N 407.434 -0.365 50 20 HBGD CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NNc2nccn(C)c2=O)cc1 747942115 WGJXUDYIACWCBB-UHFFFAOYSA-N 408.440 -0.498 50 20 HBGD CS(=O)(=O)N1CCC[C@@H]1CNC(=O)NNC(=O)CNC(=O)c1cccs1 753046290 KIVHGYACJUUMOB-SNVBAGLBSA-N 403.486 -0.768 50 20 HBGD CCN(CC)c1ccnc(NNC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)n1 762915383 UTCZKEPRKDNWGB-GFCCVEGCSA-N 423.499 -0.069 50 20 HBGD COc1ncc(NC(=O)C(=O)NNC(=O)COc2cc(C)ccc2C)cc1C(N)=O 763666367 YTJRDGPJIYOELC-UHFFFAOYSA-N 415.406 -0.029 50 20 HBGD Cc1ccc(C(=O)NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1[N+](=O)[O-] 765729316 BRBQCMVSWMMNGQ-UHFFFAOYSA-N 415.366 -0.888 50 20 HBGD CCS(=O)(=O)NCC(=O)OCC(=O)NNC(=O)c1cc(Cl)ccc1OC 767388668 GBIKJJYKJVONEZ-UHFFFAOYSA-N 407.832 -0.408 50 20 HBGD O=C(Cc1cccnc1)NNC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 776062164 SAODTCMMJLUZBN-UHFFFAOYSA-N 420.451 -0.107 50 20 HBGD CN1CCN(S(=O)(=O)c2cccnc2NNC(=O)COCc2ccnn2C)CC1 806871917 CAPPMURETJSUMV-UHFFFAOYSA-N 423.499 -0.589 50 20 HBGD CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)o1 915141153 HHNCWVPEKHAHJP-SECBINFHSA-N 407.470 -0.448 50 20 HBGD COC(=O)NNC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 915330873 NWOJMQPBMKTHCK-JTQLQIEISA-N 406.442 -0.456 50 20 HBGD C[C@H](Cn1ccnc1)NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 916623151 GNAYDZIJEQVNHF-CQSZACIVSA-N 422.515 -0.071 50 20 HBGD CS(=O)(=O)c1ccc(OCCC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)cc1 1318059281 ROCGYYVUOSGWRW-NSHDSACASA-N 404.466 -0.559 50 20 HBGD CS(=O)(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@@H](B(O)O)C1 1329292321 IINXUWNIIKYBQR-TZMCWYRMSA-N 416.692 -0.052 50 20 HBGD C#CC(=O)N1CCO[C@]2(CCN(C(=O)CN(C)NC(=O)NCc3ccccc3)C2)C1 1780968496 LVJIKUOPNBXXRN-NRFANRHFSA-N 413.478 -0.204 50 20 HBGD CN(C)NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(O)cn3)[C@H]2C1 1786276276 OHXOAPZFLJEMEN-QRTARXTBSA-N 419.482 -0.247 50 20 HBGD Cc1cncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(B(O)O)c2)C3)c1 1794808138 FPZMEMCHUWRBER-IZZQQSIFSA-N 409.251 -0.413 50 20 HBGD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cccnc1)C2)c1cccc(B(O)O)c1 1795738857 JEVMPSDNIAQCBN-XEMDLRDOSA-N 409.251 -0.793 50 20 HBGD Cc1cc(C)nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(B(O)O)cc2)C3)c1 1795983979 UAHIJCXDYROJKE-XEMDLRDOSA-N 423.278 -0.105 50 20 HBGD Cc1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(B(O)O)cc1)C2 1796668450 JVGKMMOEEHWWDI-HGKCTWBKSA-N 409.251 -0.413 50 20 HBGD C/C(=N\NC(=O)c1ccc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CS(C)(=O)=O)C2 1796890059 WYBHRMGLPGCUPI-ZMMBSZHUSA-N 423.495 -0.197 50 20 HBGD Cc1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnccc2C(=O)NN)co1 1797749779 RMVSYNFXVFKEQQ-DRXBFXEBSA-N 414.422 -0.501 50 20 HBGD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1ccc(O)nn1)c1ccc(B(O)O)cc1 1801234002 YLZFLSFLGQJRKS-BCDXTJNWSA-N 424.266 -0.253 50 20 HBGD C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)CCl)CCO2)C1 1830731141 IDUGYXBXGYTEMK-SUNYJGFJSA-N 404.891 -0.384 50 20 HBGD CC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(B(O)O)cc3)CCO2)C1 1835929408 OHDRPPUBXJEPBG-HXUWFJFHSA-N 404.272 -0.518 50 20 HBGD C[C@H](C(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)CCl)CC2)CC1)n1cnnn1 1836720058 HSWHARQHPDWTLH-DOMZBBRYSA-N 414.894 -0.168 50 20 HBGD O=C(COc1ccc(O)nn1)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)Cl)C2)C1 1839669054 FLGCEVAWNODNQQ-ZBFHGGJFSA-N 418.809 -0.448 50 20 HBGD O=C(c1ccc(B(O)O)cc1)N1CC2(CCCN2C(=O)c2cnc3snnc3c2)C1 1844676910 ADPKSSJCXMKJNC-UHFFFAOYSA-N 423.263 -0.103 50 20 HBGD