smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cn1cnn(CCC(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1=O 815269515 VMPYELOJDSARCI-UHFFFAOYSA-N 421.429 -0.193 10 20 HBCD O=C(c1cc(CO)on1)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847056153 UWRPMPWFEFPFDG-UHFFFAOYSA-N 410.477 -0.156 10 20 HBCD CCOC(=O)c1cnn2c(O)cc(COC(=O)c3cn(C)c(=O)n(C)c3=O)nc12 735152183 YAQJSXFTMVKZSC-UHFFFAOYSA-N 403.351 -0.634 10 20 HBCD C[C@@H](CNC(=O)C(=O)NCc1ccc(N2CCOCC2)c(F)c1)S(C)(=O)=O 789799561 JJXBSSLLILNESE-LBPRGKRZSA-N 401.460 -0.172 10 20 HBCD NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)c2)C1 1777851388 ZBSZXNLVVSZMFP-BFUOFWGJSA-N 406.439 -0.114 10 20 HBCD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)nc(O)c4)C3)C2)n[nH]1 1838658635 ROGDEXFSWCSFSY-IBGZPJMESA-N 417.422 -0.092 10 20 HBCD N=C(N)SCC(=O)N1CCCC12CN(C(=O)CN1C(=O)CSC1=S)C2 1842866566 ZIWUDVGZJCVJHF-UHFFFAOYSA-N 401.539 -0.323 10 20 HBCD COc1ccc(N2CCN(C[C@@H](O)CN3CCC(S(N)(=O)=O)CC3)CC2)cc1 754075328 NWZGERWDBNRRSZ-KRWDZBQOSA-N 412.556 -0.069 10 20 HBCD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C(=O)NCCCn3ccnn3)cc2)C1 793716264 BNRURZFEBDQIBO-INIZCTEOSA-N 413.482 -0.198 10 20 HBCD CC[C@@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785539897 RZBVZGRRPJONEP-BDJLRTHQSA-N 401.510 -0.553 10 20 HBCD O=C(/C=C\C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1)NC1CC1 1847056599 SEULDLYIXRHUJU-PLNGDYQASA-N 422.532 -0.115 10 20 HBCD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(COCCN(C(=O)c3ccno3)C2)C1 1836417717 HGLJLTOCQNRXPV-SFHVURJKSA-N 404.379 -0.135 10 20 HBCD C[C@H](C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1)n1cnnn1 1847056591 RZWGXYSGHYTHPQ-SNVBAGLBSA-N 409.497 -0.702 10 20 HBCD CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O 15360950 HYKRHNNROVNCST-UHFFFAOYSA-N 408.480 -0.259 10 20 HBCD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21)c1nc[nH]n1 1787224182 MIOFQDZPHKNSMX-DCAQKATOSA-N 424.508 -0.742 10 20 HBCD CCC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 1793245442 PQTLEYCLCLCUFE-AKENFEQQSA-N 406.439 -0.389 10 20 HBCD CC[C@H](C)[C@H](N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1835595939 ZKEQMJTZLHNDBW-QKMWGZLOSA-N 422.482 -0.064 10 20 HBCD C[C@]1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(O)nc(O)c4)CCO3)C2)CCCN1 1836419030 NOXWPRKQNCVXME-WOJBJXKFSA-N 420.466 -0.295 10 20 HBCD O=C(COc1cccnn1)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847056702 YJWYVMCINYNDDY-UHFFFAOYSA-N 421.504 -0.081 10 20 HBCD COCCN1C(=O)/C(=C/NCCc2ccc(S(N)(=O)=O)cc2)C(=O)NC1=S 920976922 RYEBLKFBGPRQEJ-JLHYYAGUSA-N 412.493 -0.760 10 20 HBCD COc1ccc(N2CCN(C(=O)/C=C/C(=O)N(C)CCNS(C)(=O)=O)CC2)cc1 1337365188 JECJEUMSJVSMNK-CMDGGOBGSA-N 424.523 -0.092 10 20 HBCD CC(C)CNC(=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)c1 1796137668 NIAWRAHMYUFWHX-YWVIFJGQSA-N 406.439 -0.532 10 20 HBCD C[C@](O)(CC(=O)O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)c1 1796140550 SLTZNSBNSCEVQD-GTHVPZFQSA-N 423.422 -0.688 10 20 HBCD COCCN1C(=O)/C(=C\N[C@@H](C)c2cccc(S(N)(=O)=O)c2)C(=O)NC1=S 730983568 CYUWZONQKLIOAB-AVMBBCFPSA-N 412.493 -0.242 10 20 HBCD COc1cc(N2CCN(C(=O)CN3C(=O)C(=O)N(C)C3=O)CC2)cc(OC)c1OC 759221637 CXRBWSPBRJCJFD-UHFFFAOYSA-N 420.422 -0.218 10 20 HBCD C[C@H](O)CN(C(=O)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H](C)CO 789840135 DXSVSSFNJCJSKJ-KGLIPLIRSA-N 411.474 -0.007 10 20 HBCD COC[C@H]1CN(C(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CCO1 793734170 QVNLTSSUJUKFDR-SJLPKXTDSA-N 418.494 -0.122 10 20 HBCD Cn1ccc(=O)cc1C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1780104144 VEBMBIDFBIURPC-HXUWFJFHSA-N 414.418 -0.051 10 20 HBCD O=C(CCn1cncn1)N1CC[C@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1784341409 GCYLEFJWYQYTFI-SFHVURJKSA-N 402.411 -0.382 10 20 HBCD Cc1cnn(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)nc(O)c2)C3)c1 1795886214 YPVGQZBXPKRFEH-ZSBFGKGUSA-N 401.423 -0.099 10 20 HBCD CC(C)[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1830866446 MCAQGYHAQZKNOC-VQIMIIECSA-N 409.439 -0.420 10 20 HBCD Cn1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)nc(O)c4)C3)C2)c1 1834444432 JIWXPAOFBAXQJB-IBGZPJMESA-N 417.422 -0.390 10 20 HBCD CNS(=O)(=O)CCC(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 783191315 PMNNPOQGYPUMRQ-UHFFFAOYSA-N 417.459 -0.239 10 20 HBCD CN(CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)Cc1ccc(N2CCOCC2)cc1 741730304 MGMJMLNZUHVTCF-UHFFFAOYSA-N 401.467 -0.183 10 20 HBCD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C3CCN(S(N)(=O)=O)CC3)cc2)C1 918673823 SAFWPJZJAUYVON-INIZCTEOSA-N 423.539 -0.080 10 20 HBCD CNc1nsnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 1792481341 FKFXJXQFFUSQSP-DDFAGTSDSA-N 420.451 -0.097 10 20 HBCD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCCCC1=O)C2)c1cc(O)nc(O)c1 1796140927 JDCQBVUVAOSCDT-HBCWATKFSA-N 418.450 -0.292 10 20 HBCD O=C(c1ccnnc1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1836417676 DJIGOWHYUHGSCW-IBGZPJMESA-N 415.406 -0.333 10 20 HBCD CCn1ncnc1CNC(=O)C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 803750678 NKWWKJWLFZUVJN-UHFFFAOYSA-N 415.498 -0.139 10 20 HBCD O=C1CC(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)=NN1 1777851481 XZVHSVVFWXKUNU-BFUOFWGJSA-N 417.422 -0.504 10 20 HBCD COc1ccc(N2CCN(CCNC(=O)CN3C(=O)C(=O)N(C)C3=O)CC2)cc1 733142167 UEZLOXJVUBQWAX-UHFFFAOYSA-N 403.439 -0.646 10 20 HBCD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CCN4C(=O)NC(=O)[C@@H]4C3)cc2)C1 760093981 BWIIZDQBYXXAFK-HOCLYGCPSA-N 414.466 -0.166 10 20 HBCD Cn1ccc(=O)cc1C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1780104141 VEBMBIDFBIURPC-FQEVSTJZSA-N 414.418 -0.051 10 20 HBCD C[C@H](CN)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785537934 DFRAQCJYGDZPNJ-BDJLRTHQSA-N 400.526 -0.729 10 20 HBCD CN(C)CCC(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785538686 UQSFQTLCLPRNQF-KRWDZBQOSA-N 414.553 -0.372 10 20 HBCD CC(C)[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785539812 PIYBWSRFCAARRN-WMLDXEAASA-N 415.537 -0.307 10 20 HBCD O=C(CN1C(=O)CSC1=S)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@@H]1F)C2 1802107065 WUDLTLBTUHTRPV-KKSJPVRNSA-N 401.485 -0.206 10 20 HBCD O=C1CC[C@H](C(=O)N2CCCC23CN(C(=O)CN2C(=O)CSC2=S)C3)CN1 1841115815 PJGRJRNBDNMRMI-NSHDSACASA-N 410.521 -0.424 10 20 HBCD N=C1NCCN1CC(=O)N1CCCC12CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1842909194 WGRRFDSKPWCEDL-UHFFFAOYSA-N 423.477 -0.177 10 20 HBCD COCCOCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1786639347 QCDGUGKXTZNJLL-QEJZJMRPSA-N 409.439 -0.251 10 20 HBCD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(O)nn1)C2)c1cc(O)nc(O)c1 1796137349 JGKKEKIMNRAIGJ-CULMDFNYSA-N 401.379 -0.495 10 20 HBCD COc1cccc(CNC(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)c1O 737278379 KMPOSIXHPKYUBC-UHFFFAOYSA-N 413.390 -0.399 10 20 HBCD COc1cc(N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)c([N+](=O)[O-])cc1OC 778582660 KTCGLNZCVNYCCG-UONOGXRCSA-N 401.441 -0.108 10 20 HBCD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2)c1ccon1 1794930282 CFUCLACLCAELJU-WDAIWFPHSA-N 410.477 -0.262 10 20 HBCD COC[C@@H](NC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)nc(O)c1)C2 1798636015 CPXLUGKYVXZREE-LXTVHRRPSA-N 406.439 -0.104 10 20 HBCD Cn1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(O)nc(O)c4)CCO3)C2)n1 1836418059 XFMBGMLRSGPJFH-IBGZPJMESA-N 417.422 -0.390 10 20 HBCD O=C1CC(C(=O)N2CC3(CCCN3C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)=NN1 1843441816 QRZSCOOJJZHKSD-UHFFFAOYSA-N 408.418 -0.141 10 20 HBCD CC(=O)NCCCNC(=O)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 793726296 STWIGWVKGOBBRR-INIZCTEOSA-N 403.483 -0.353 10 20 HBCD O=C(c1cc(O)nc(O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccno1)CCO2 1834149443 OSERKPVFPVVFMZ-GOSISDBHSA-N 404.379 -0.135 10 20 HBCD C[C@H](C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1)N1CCN(C)CC1 1843250574 NDQJTZWIMKMWQO-CQSZACIVSA-N 403.483 -0.054 10 20 HBCD O=C(CN1C(=O)CSC1=S)N1CC[C@@]2(C1)CN(C(=O)[C@H]1C[C@@H](O)C1)CCO2 1785539563 DFUCZIYULRFVDN-BWACUDIHSA-N 413.521 -0.553 10 20 HBCD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCC(=O)N1 1795827705 FUBQPCKVRQRVQM-WRWGMCAJSA-N 410.521 -0.237 10 20 HBCD COCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)CSC1=S 1802105113 SNPAMPYYOROYAC-DRXBFXEBSA-N 415.537 -0.137 10 20 HBCD Cn1ccnc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1836417977 SSTMXKPHDFIOFJ-IBGZPJMESA-N 417.422 -0.390 10 20 HBCD NC(=O)NCC(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1814225072 WSJIHCQLUOBXNJ-YVEFUNNKSA-N 414.422 -0.124 10 20 HBCD CNS(=O)(=O)[C@@H]1CCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 750214991 HLCDEXKUFMMKOS-OAHLLOKOSA-N 414.503 -0.098 10 20 HBCD NC(=O)[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CCO1 789835661 PYHYHXGNZDBJOF-INIZCTEOSA-N 408.430 -0.884 10 20 HBCD CN(C)c1ccc(CNC(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)cc1 918247178 ZCCMJHAYZGXWBS-UHFFFAOYSA-N 410.434 -0.047 10 20 HBCD CCN1CCN(CC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C(=O)C1=O 918673821 RXPOZPXSNSOSIH-INIZCTEOSA-N 415.494 -0.305 10 20 HBCD C[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1 1783518831 GQLCPVWQSZBYSS-XOBRGWDASA-N 400.435 -0.010 10 20 HBCD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C=CCN1)C2 1802080000 DDPSCDNCVOTUMD-AWPUNZFDSA-N 415.446 -0.066 10 20 HBCD O=C(CN1CCC2(CC1)NC(=O)NC2=O)NCc1ccc(N2CCOCC2)c(F)c1 760892366 UJOACXNUKGVEII-UHFFFAOYSA-N 419.457 -0.048 10 20 HBCD CC(C)CNC(=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2C1 1787291251 QVRZOANEGYHKNC-QEJZJMRPSA-N 420.466 -0.142 10 20 HBCD O=C(c1cc(O)nc(O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cncnc1)CCO2 1834303703 USIPDIJWUVKVRK-LJQANCHMSA-N 415.406 -0.333 10 20 HBCD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@]2(C1)CN(C(=O)COCCO)CCO2 1785509727 AMJCPDMRXJCQPZ-ZFDYTMOGSA-N 422.434 -0.345 10 20 HBCD O=C(c1cc(O)nc(O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnco1)CCO2 1831930336 FUPMFPWVBIHLSG-GOSISDBHSA-N 404.379 -0.135 10 20 HBCD O=C(c1cc[n+]([O-])cc1)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847055442 LAIYQQPMERICIJ-UHFFFAOYSA-N 406.489 -0.003 10 20 HBCD COc1ccc(N2CCN(C[C@@H](O)CN3CCN(S(C)(=O)=O)CC3)CC2)cc1 779221663 LQAPUOSHPKPSSH-GOSISDBHSA-N 412.556 -0.245 10 20 HBCD COc1ccc(C(=O)NC2=S=C(C(=O)N[C@H]3CS(=O)(=O)C[C@@H]3OC)C=C2)cc1 1532040206 XOXYBWTVDJGZBD-KBPBESRZSA-N 424.500 -0.042 10 20 HBCD O=C1C[C@H](C(=O)N2CC[C@@]3(CN(C(=O)c4cc(O)nc(O)c4)CCO3)C2)CCN1 1784034088 HBPNFKSOUHCFSR-BLVKFPJESA-N 404.423 -0.538 10 20 HBCD CN1CC(C(=O)N2CC[C@]3(CN(C(=O)CN4C(=O)CSC4=S)CCO3)C2)C1 1784789945 ZESXNOMPPJDPTK-KRWDZBQOSA-N 412.537 -0.762 10 20 HBCD CC(=O)NCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2C1 1787295239 YBVFPCIJPAYLQA-QEJZJMRPSA-N 406.439 -0.388 10 20 HBCD CCOCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1840522536 ZXMBLCZYXXUONB-IBGZPJMESA-N 409.439 -0.011 10 20 HBCD CN1N=C(C(=O)N2CCCC23CN(C(=O)CN2C(=O)CSC2=S)C3)CCC1=O 1841865367 SEZYBRPTYIMYCV-UHFFFAOYSA-N 423.520 -0.342 10 20 HBCD CS(=O)(=O)CCS(=O)(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 742280768 VYCXREOHAFBLRZ-AWEZNQCLSA-N 403.526 -0.148 10 20 HBCD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCn1ccnn1)C2)c1cc(O)nc(O)c1 1796140246 FGPPNSIIHUSTKS-FVCICTRLSA-N 402.411 -0.622 10 20 HBCD Cn1cncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)CSC1=S 1802104357 DSQUVFVRPORAKR-QHBPRCKVSA-N 423.520 -0.516 10 20 HBCD C[C@@H](CO)N(C[C@@H](C)O)C(=O)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 789840136 DXSVSSFNJCJSKJ-UONOGXRCSA-N 411.474 -0.007 10 20 HBCD COC(=O)C1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)nc(O)c2)CC1 1796141181 NUJQQKLKJYEXAM-JJLQDPRZSA-N 405.407 -0.351 10 20 HBCD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NCCN3C(=O)CNC3=O)cc2)C1 733352803 WVVJJBDTEVGZHX-CQSZACIVSA-N 402.455 -0.261 10 20 HBCD COc1ccc(N2CCN(CCCNC(=O)C(=O)N3CCNC(=O)C3)CC2)cc1 785528208 OFEUQSUWJXCDBL-UHFFFAOYSA-N 403.483 -0.718 10 20 HBCD CCOC(=O)c1cnn2c(O)cc(CN3CCN(CC(=O)NCCOC)CC3)nc12 108078310 BYYDVIMYZGUCHH-UHFFFAOYSA-N 420.470 -0.508 10 20 HBCD O=C1CCCCN1CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1783754727 MWWRTSNVSGNMSD-FQEVSTJZSA-N 418.450 -0.051 10 20 HBCD O=C(CN1C(=O)CSC1=S)N1CC[C@]2(C1)CN(C(=O)c1nc[nH]n1)CCO2 1785538092 HHXZVWUOXRJSBZ-HNNXBMFYSA-N 410.481 -0.892 10 20 HBCD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnnc3O)C[C@@H]21)c1cc(O)nc(O)c1 1787293244 DIDQSSHQOADPKC-BPNCWPANSA-N 415.406 -0.105 10 20 HBCD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)[C@@H]1C[C@H](O)CN1 1804335724 HHVIMEBQRKNYOT-PPCPHDFISA-N 412.537 -0.792 10 20 HBCD 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HBCD C[C@H](NC=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2 1780722229 KKLXGRHKZKPCDZ-BBEJJTJUSA-N 406.439 -0.245 10 20 HBCD O=C(O)CSCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1783955733 BXQQFTRIKWNUBT-KRWDZBQOSA-N 411.436 -0.246 10 20 HBCD Cn1cnc(C(=O)N2CCO[C@]3(CCN(C(=O)CN4C(=O)CSC4=S)C3)C2)n1 1785537663 GNXRKBRNEFIGHK-INIZCTEOSA-N 424.508 -0.881 10 20 HBCD COC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1834852287 IGJRMGSBYOTFEN-LJQANCHMSA-N 423.422 -0.484 10 20 HBCD CC[C@H](NC(C)=O)C(=O)N1CCCC12CN(C(=O)CN1C(=O)CSC1=S)C2 1841090432 UQTLCVMEYOTHLN-LBPRGKRZSA-N 412.537 -0.035 10 20 HBCD CC(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1830013649 FBGXRJWLVSUHLG-LJQANCHMSA-N 409.439 -0.012 10 20 HBCD CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)C1 788310657 LGQUNHYOAVPOKI-KRWDZBQOSA-N 424.523 -0.320 10 20 HBCD COCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21 1786497107 QYJWCTPVCHWGBT-SRVKXCTJSA-N 401.510 -0.527 10 20 HBCD 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CN(C)CC(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785538675 UJTCYFPKWWEIFP-INIZCTEOSA-N 400.526 -0.762 10 20 HBCD COc1ccc(N2CCN(C[C@@H](O)CN(C)C[C@@H](O)CN3CCOCC3)CC2)cc1 754053110 XHXIQYUPKVWKFF-LEWJYISDSA-N 422.570 -0.197 10 20 HBCD COc1ccc(N2CCN(C[C@H](O)CN3CCN(S(C)(=O)=O)CC3)CC2)cc1 779221664 LQAPUOSHPKPSSH-SFHVURJKSA-N 412.556 -0.245 10 20 HBCD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCOC3=O)C[C@@H]21)c1cc(O)nc(O)c1 1787292651 ZWYWXFCGYIPNRX-UBHSHLNASA-N 420.422 -0.462 10 20 HBCD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2)[C@@H]1CCCO1 1800731686 MNPAPPWGAPHTJC-OXIQGZBJSA-N 413.521 -0.385 10 20 HBCD O=C(NC[C@H]1CCN(C(=O)Cn2cnnn2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994203 QUNQVNLSXPMIPN-FZKQIMNGSA-N 424.421 -0.106 10 20 HBCD CCOc1ccc(N2CCN(S(=O)(=O)c3cn(C)c(=O)n(C)c3=O)CC2)cc1 1253811452 HSNRMFIUSCXLAN-UHFFFAOYSA-N 408.480 -0.006 10 20 HBCD O=C(CN1C(=O)CSC1=S)N1CCO[C@@]2(CCN(C(=O)c3cccnn3)C2)C1 1779468155 RREZVXFHLJTXNV-KRWDZBQOSA-N 421.504 -0.220 10 20 HBCD 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423.520 -0.137 10 20 HBCD Cn1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)nc(O)c2)cn1 1796140349 KWRUDJXSORSOMQ-ZSBFGKGUSA-N 401.423 -0.328 10 20 HBCD CN(C)C(=O)Cn1cc(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)nn1 1261775411 HCOWQLGZALSNSF-UHFFFAOYSA-N 420.495 -0.469 10 20 HBCD CS(=O)(=O)CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S 1804331526 GAELLYPYJSTVBB-JGPRNRPPSA-N 419.550 -0.471 10 20 HBCD CN(C)c1ccc(CNC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)cc1 785429005 VAXRNZRUSSDFRV-UHFFFAOYSA-N 401.467 -0.682 10 20 HBCD CNC(=O)[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCO1 789799539 IYGSTMSUGJUGCM-INIZCTEOSA-N 408.430 -0.748 10 20 HBCD O=C1C[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)nc(O)c4)C[C@@H]32)CCN1 1791344975 KGRLSTDJMBUKNK-DHMWGJHJSA-N 418.450 -0.388 10 20 HBCD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)ncn1)C2)c1cc(O)nc(O)c1 1796136099 PLFMZVDWYVOVOH-CULMDFNYSA-N 401.379 -0.495 10 20 HBCD NC[C@H](N)C(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1808261658 MTCKFTLZJOFPDN-JDFRZJQESA-N 400.439 -0.507 10 20 HBCD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(COCCN(C(=O)c3ccon3)C2)C1 1836417803 NHKFDAFOPQVGJK-SFHVURJKSA-N 404.379 -0.135 10 20 HBCD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSc1nc[nH]n1)C2)c1cc(O)nc(O)c1 1796140430 PDKGKUHEWLFQSD-QHBPRCKVSA-N 420.451 -0.394 10 20 HBCD COc1ccc(N2CCN(C(=O)CN(C)C[C@H](O)CN3CCOCC3)CC2)cc1 751486456 VLLCLJCPXMHGPL-IBGZPJMESA-N 406.527 -0.031 10 20 HBCD CC[C@@H](NC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1)C(=O)N1CCOCC1 788311779 ZVPRZSYXDHQSRU-GOSISDBHSA-N 418.494 -0.107 10 20 HBCD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)N1CCOCC1)c1cc(O)nc(O)c1 1798485450 IFKWCTQFYCHDPA-AHXJXLJNSA-N 406.439 -0.605 10 20 HBCD C[C@H](OC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(=O)N[C@@H]1CCS(=O)(=O)C1 920638067 RIFZQMCPIVBLCE-GXSJLCMTSA-N 420.465 -0.388 10 20 HBCD C[C@@H]1CC(=O)NCCN1C(=O)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 793730758 CUPYYALUTHSFFM-GDBMZVCRSA-N 415.494 -0.259 10 20 HBCD CNS(=O)(=O)c1cc(NS(=O)(=O)CCCS(=O)(=O)N(C)C)ccc1O 811700371 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BNRURZFEBDQIBO-MRXNPFEDSA-N 413.482 -0.198 10 20 HBCD CN(C)CCC(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785538689 UQSFQTLCLPRNQF-QGZVFWFLSA-N 414.553 -0.372 10 20 HBCD CN1CC(C(=O)N2CCO[C@]3(CCN(C(=O)CN4C(=O)CSC4=S)C3)C2)C1 1785547102 WVHSPVOCZBMCLS-KRWDZBQOSA-N 412.537 -0.762 10 20 HBCD C[C@@H](CC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2C1 1787290495 VUXIKQPBJIGOEE-IMIFBBOLSA-N 406.439 -0.402 10 20 HBCD CC(C)(O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1836418079 YSLJWHBFFBHUPP-IBGZPJMESA-N 409.439 -0.276 10 20 HBCD CC[C@@H](NC)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785538404 MZFKHWSGMAHSLZ-SJKOYZFVSA-N 414.553 -0.325 10 20 HBCD CN1CCN(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)CC1 1796601037 WQXJVCTUPFGICK-MUJYYYPQSA-N 403.483 -0.008 10 20 HBCD CCN1CCN(c2ccc(CNC(=O)C(=O)N3CCO[C@@H](C(N)=O)C3)cc2F)CC1 805009066 FRTQUGAQSIGRPP-QGZVFWFLSA-N 421.473 -0.704 10 20 HBCD N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)c1)c1ccccn1 1796138417 YBJOMCVCSDMGOU-GGNLRSJOSA-N 413.434 -0.209 10 20 HBCD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C=CCN3)C2)C1 1836417390 PJCNODZKKVSEOL-LIRRHRJNSA-N 404.423 -0.909 10 20 HBCD C[C@H](C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1)n1cnnn1 1784595278 LGWKOMRCQLIFLP-PIGZYNQJSA-N 403.399 -0.816 10 20 HBCD CO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2 1801045530 YAYNEWOWAXUSGK-NJBDSQKTSA-N 401.510 -0.529 10 20 HBCD CS(=O)(=O)N1CCC[C@H]1C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 918340464 OZXTVSZSOXWFFO-INIZCTEOSA-N 415.537 -0.038 10 20 HBCD NC(=O)NCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782007492 JDYOXZGTJGQNPE-QGZVFWFLSA-N 412.830 -0.137 10 20 HBCD CC(C)(C)[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1830623731 VIBCMPNDEURNMA-UZLBHIALSA-N 423.466 -0.030 10 20 HBCD O=C([C@@H]1C[C@H](O)CN1)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847038096 AAYBLXOUYSIJJS-RDJPRVRMSA-N 403.435 -0.257 10 20 HBCD COc1ccc(N2CCN(C(=O)COC(=O)c3cn(C)c(=O)n(C)c3=O)CC2)cc1 735149584 KQJQEMJFDNZYDU-UHFFFAOYSA-N 416.434 -0.402 10 20 HBCD CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 920636189 QDOIGRJUJRQTCX-NSHDSACASA-N 413.452 0.000 10 20 HBCD O=C(C(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1)C1CC1 1785539347 MLDWIAJJJKPOJO-QGZVFWFLSA-N 411.505 -0.344 10 20 HBCD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2C1)n1cnnn1 1787295022 LLSALIRBRHVJDG-IMIFBBOLSA-N 417.426 -0.666 10 20 HBCD CCNC(=S)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 1800182833 FWYUAQHPPBFWEF-DRXBFXEBSA-N 423.495 -0.820 10 20 HBCD O=C(c1cc(O)nc(O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(O)[nH]1)CCO2 1838066226 ZDLXAAYAHQBBCR-GOSISDBHSA-N 419.394 -0.695 10 20 HBCD COc1ccc(N2CCN(CCNC(=O)N3CC[C@H](S(N)(=O)=O)C3)CC2)cc1 770424554 OLBGVRXMZGDKJF-KRWDZBQOSA-N 411.528 -0.110 10 20 HBCD CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)C1 788320876 QLQLWYPYOAPWGX-QGZVFWFLSA-N 424.523 -0.320 10 20 HBCD COc1cc(N2CCN(C(=O)C(=O)NCC[S@](C)=O)CC2)cc(OC)c1OC 804999625 HDZOOHYJKHDPKF-NDEPHWFRSA-N 413.496 -0.144 10 20 HBCD CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 1320915031 BIZONABUBPUAAJ-KGLIPLIRSA-N 414.480 -0.193 10 20 HBCD O=C(CN1C(=O)CSC1=S)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCOC1)C2 1802107061 WNVOOWOPURYSKX-MCYUEQNJSA-N 413.521 -0.527 10 20 HBCD CC(=O)C(=O)COC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Br)cc1 808483889 BYAYBHHUTUYIJQ-NSHDSACASA-N 408.226 -0.210 10 20 HBCD O=C1CC(C(=O)N2CCCC23CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)C3)=NN1 1844223195 FSSRKRBDBPFZOV-UHFFFAOYSA-N 408.418 -0.141 10 20 HBCD O=C(CN1CCN2C(=O)NC(=O)[C@@H]2C1)NCc1ccc(N2CCOCC2)c(F)c1 778953251 LTPYPOBWGQGLLO-INIZCTEOSA-N 405.430 -0.486 10 20 HBCD CN(C)C(=O)Cn1nc2n(c1=O)CCN(CC(=O)NCc1ccc(N(C)C)cc1)C2 786431691 IKWWCXYOZRDYNA-UHFFFAOYSA-N 415.498 -0.669 10 20 HBCD O=C(COCCO)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2 1780765206 GFPXWEMTXCMWPG-AUUYWEPGSA-N 409.439 -0.371 10 20 HBCD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCSCC1)C2)c1cc(O)nc(O)c1 1796136517 FLKSTMDFXCQRKL-ZSBFGKGUSA-N 422.507 -0.255 10 20 HBCD COc1ccc(N2CCN(C(=O)CN(CCO)CCN3CCOCC3)CC2)cc1 749026214 LIKVSKOPIGXADU-UHFFFAOYSA-N 406.527 -0.030 10 20 HBCD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2C1)n1cncn1 1787294917 CQVLINOGKSODOL-JURCDPSOSA-N 416.438 -0.061 10 20 HBCD C=CC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1788753762 JNYSRRKQCGTSTA-JURCDPSOSA-N 418.450 -0.223 10 20 HBCD COc1nn(C)cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 1794579865 MLBWHMLFVUDZRO-DRXBFXEBSA-N 417.422 -0.248 10 20 HBCD COc1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)nc(O)c2)cn1 1796137305 GQARFWXZSCOLDJ-DPIQGUFMSA-N 415.406 -0.192 10 20 HBCD Cn1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)nc(O)c2)C3)cn1 1801418913 QKHYMVGTEAOOOC-ZSBFGKGUSA-N 401.423 -0.328 10 20 HBCD CCOC(=O)N[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1778783053 FTWMMDOOMNVYAU-RDTXWAMCSA-N 424.410 -0.999 10 20 HBCD O=C(CCn1cncn1)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1784341408 GCYLEFJWYQYTFI-GOSISDBHSA-N 402.411 -0.382 10 20 HBCD C/C(=C/C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1)C(=O)O 1840837271 SGHXGLKJQOIXID-RYLLTQLHSA-N 421.406 -0.406 10 20 HBCD O=C1CSC(=S)N1CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(=O)n1O 1848346238 QNQZKLFMLNENIQ-QWRGUYRKSA-N 422.488 -0.239 10 20 HBCD COc1ccc(C(=O)NC2=S=C(C(=O)NC[C@@]3(O)CCS(=O)(=O)C3)C=C2)cc1 1627707897 ZJNNDDFBKQFVIH-SFHVURJKSA-N 424.500 -0.304 10 20 HBCD CO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21 1791326357 RFPBANQDWZEGKF-VOAKCMCISA-N 415.537 -0.139 10 20 HBCD COC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)CSC1=S 1802104376 UKSYCBAKFBTEAN-GNXNZQSNSA-N 415.537 -0.139 10 20 HBCD CC[C@H](NC(C)=O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1C(=O)CSC1=S 1847299894 MAFCPILGYGMYKI-AVGNSLFASA-N 412.537 -0.037 10 20 HBCD C[C@H](C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1)n1ccnn1 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1783996504 LSLHNBFAYPVXJW-ZBEGNZNMSA-N 401.510 -0.289 10 20 HBCD C[C@@](O)(CC(=O)O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)c1 1796140554 SLTZNSBNSCEVQD-MSSRQSJBSA-N 423.422 -0.688 10 20 HBCD Cn1nncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1833230565 CLLJHCCHRHXXPW-SFHVURJKSA-N 418.410 -0.995 10 20 HBCD CS(=O)(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1784742068 NTGDAIQJEPCSEQ-QGZVFWFLSA-N 413.452 -0.629 10 20 HBCD CN(C)C(=O)NCC(=O)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847050550 BYPMZMJKEHKPCL-UHFFFAOYSA-N 413.525 -0.679 10 20 HBCD COCCNC(=O)CN1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 919810001 XXNBSJCCQYQMAP-UHFFFAOYSA-N 414.484 -0.716 10 20 HBCD C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1)n1cncn1 1784475289 KUPWNDYSDIVLOV-SGTLLEGYSA-N 402.411 -0.211 10 20 HBCD CC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1790866087 WKIXBPJTSADRKU-LVGORTOPSA-N 406.439 -0.389 10 20 HBCD 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CC(=O)N(C)[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1787517143 UKNMRKBPCYKKMG-MZGVZZPPSA-N 420.466 -0.047 10 20 HBCD CC[C@H](C)[C@@H](N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1836417355 NNHCWPBYPTXBLU-WSXQUGQNSA-N 422.482 -0.064 10 20 HBCD O=C(c1cnoc1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1836417536 ZRJQQBOCMYMFCY-SFHVURJKSA-N 404.379 -0.135 10 20 HBCD CCOC(=O)c1cnn2c(O)cc(COC(=O)C(C)(C)NS(C)(=O)=O)nc12 751693068 RKYSEWAMZLCEEU-UHFFFAOYSA-N 400.413 -0.017 10 20 HBCD CC(=O)N(C)[C@H](C)C(=O)N1CCCC12CN(C(=O)CN1C(=O)CSC1=S)C2 1843428870 VQJZNXKGDKZYFL-LLVKDONJSA-N 412.537 -0.083 10 20 HBCD CCNC(=O)N[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1778955001 PXYIKHTXGMILFN-HXPMCKFVSA-N 421.454 -0.356 10 20 HBCD COc1ccc(N2CCN(C(=O)COC(=O)CN3CCCS3(=O)=O)CC2)cc1 919359472 XEDZNGIFBODSMI-UHFFFAOYSA-N 411.480 -0.078 10 20 HBCD COCCNC(=O)CNC(=O)/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1 778222087 MYFNGMHNJCJELH-FPLPWBNLSA-N 404.467 -0.221 10 20 HBCD C[C@H](NC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1)c1ccc(N2CCOCC2)cc1 803305484 MVXPBKTZUZDXQV-XJKSGUPXSA-N 410.496 -0.410 10 20 HBCD O=C(CN1C(=O)CSC1=S)N1CC[C@]2(C1)CN(C(=O)c1cnco1)CCO2 1785539082 GYHIDBOVVLCMPO-INIZCTEOSA-N 410.477 -0.022 10 20 HBCD CCN(C)[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1836419390 FWKRTAKSGSZGAL-XOBRGWDASA-N 422.482 -0.097 10 20 HBCD NC(=O)CC[C@H](N)C(=O)N1CCCC12CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1842882178 MNWHREVOGHQQFA-MXPWBENCSA-N 418.450 -0.387 10 20 HBCD C[C@H]1CC(=O)NCCN1C(=O)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 793730761 CUPYYALUTHSFFM-GOEBONIOSA-N 415.494 -0.259 10 20 HBCD O=C(Cn1cccn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2 1795874438 AIHYVFBMHTVAMX-DRXBFXEBSA-N 423.520 -0.667 10 20 HBCD COCC(=O)N1CCN(C[C@@H](O)CN2CCN(c3ccc(OC)cc3)CC2)CC1 779219188 JAZUHADKDDDQHQ-IBGZPJMESA-N 406.527 -0.031 10 20 HBCD CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1O 787662556 PJVIMQVKQVFWBX-UWVGGRQHSA-N 401.441 -0.050 10 20 HBCD C[C@@H](O)CN(C(=O)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H](C)CO 789840137 DXSVSSFNJCJSKJ-ZIAGYGMSSA-N 411.474 -0.007 10 20 HBCD CN(C)CC(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785538677 UJTCYFPKWWEIFP-MRXNPFEDSA-N 400.526 -0.762 10 20 HBCD Cn1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)nc(O)c4)C3)C2)c1 1834444434 JIWXPAOFBAXQJB-LJQANCHMSA-N 417.422 -0.390 10 20 HBCD O=C1CCCN1CC(=O)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847056302 AGSIXNCVTCYUPI-UHFFFAOYSA-N 410.521 -0.328 10 20 HBCD CC[C@H](C)[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1831509119 OFVCINGOPMLPCU-QKMWGZLOSA-N 423.466 -0.030 10 20 HBCD O=C(CN1CCOC1=O)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847056943 VJLKBXKAROFMPZ-UHFFFAOYSA-N 412.493 -0.498 10 20 HBCD COCCN1CCN(C[C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)CC1=O 754096448 DTDZGGLLJJSXIX-LJQANCHMSA-N 406.527 -0.031 10 20 HBCD COC(=O)c1cn(CC(=O)OCC(=O)N2CCN(c3ccc(OC)cc3)CC2)nn1 786548067 PTEKWEFLRGYQNP-UHFFFAOYSA-N 417.422 -0.035 10 20 HBCD 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414.553 -0.612 10 20 HBCD N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1ccccn1 1795610434 JJPPXZLIWRTJIT-GGNLRSJOSA-N 413.434 -0.209 10 20 HBCD O=C1CC(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)nc(O)c2)C3)=NN1 1779307706 QTASVTBBZMFLJU-BFUOFWGJSA-N 417.422 -0.504 10 20 HBCD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(COCCN(C(=O)c3ncc[nH]3)C2)C1 1836418005 UPSDESYNPIUTSV-GOSISDBHSA-N 403.395 -0.400 10 20 HBCD C[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1840030077 ZNRUIMVXXLDBGR-HBRHUWOESA-N 422.434 -0.346 10 20 HBCD O=C1C[C@@H](C(=O)N2CC3(CCCN3C(=O)CN3C(=O)CSC3=S)C2)CCN1 1847056410 LARLMIHRQILFBJ-NSHDSACASA-N 410.521 -0.424 10 20 HBCD CNC(=O)[C@H]1CN(C(=O)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CCO1 789839837 AYKXRBDPVNLKSJ-QGZVFWFLSA-N 422.457 -0.624 10 20 HBCD O=C1C[C@@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(O)nc(O)c2)C3)CN1 1781777659 FMPZLJCHYPLXMU-ARGWCVDVSA-N 418.450 -0.244 10 20 HBCD CN1N=C(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CN2C(=O)CSC2=S)CCC1=O 1848046884 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CO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)CSC1=S 1802106581 CUXUDHATOVAVJP-DYNIEEOBSA-N 401.510 -0.529 10 20 HBCD CC(=O)N(C)[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)c1 1796137289 BXMBKBGGJAPVQO-JAMKOXHTSA-N 406.439 -0.437 10 20 HBCD Nc1ccc(CC(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 746410554 JGSLNOSDCIUJAF-OAHLLOKOSA-N 401.510 -0.528 10 20 HBCD Cn1ncnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1833841644 XZNBXQVHVLWSSQ-GOSISDBHSA-N 418.410 -0.995 10 20 HBCD O=C(C1=COCC1)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1840560756 VAXSKFPHFZSRHA-IBGZPJMESA-N 405.407 -0.133 10 20 HBCD CN1CCN(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cc(O)nc(O)c2)CCO3)CC1 1778261165 VSCMDLBEXDZIID-FQEVSTJZSA-N 419.482 -0.816 10 20 HBCD O=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1)C1CC1 1830596920 KVMCIHZBXVBAIG-LJQANCHMSA-N 405.407 -0.458 10 20 HBCD CC(C)[C@@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785539810 PIYBWSRFCAARRN-RHSMWYFYSA-N 415.537 -0.307 10 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O=C(CN1CCOCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1786723218 YGDKXQAKSJTGHX-BPUTZDHNSA-N 420.466 -0.582 10 20 HBCD CNC(=O)[C@@H]1CN(C(=O)C(=O)NC2CCN(c3ccc(OC)cc3)CC2)CCO1 804316833 KRZYNZJRWGVOAG-KRWDZBQOSA-N 404.467 -0.246 10 20 HBCD CS(=O)(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 1801529535 KTTRQIYWYQXFMD-DRXBFXEBSA-N 413.452 -0.869 10 20 HBCD O=C(CN1C(=O)CSC1=S)N1CCO[C@@]2(COCCN(C(=O)C3CC3)C2)C1 1840897588 KYFIRKDLYADMAT-KRWDZBQOSA-N 413.521 -0.287 10 20 HBCD COc1ccc(N2CCN(C[C@H](O)CN3CCN(C(=O)CN(C)C)CC3)CC2)cc1 754008365 CGMXLEUULOMVAY-FQEVSTJZSA-N 419.570 -0.116 10 20 HBCD Cn1cncc1C(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785537742 JBEXZUSYZHGROR-KRWDZBQOSA-N 423.520 -0.276 10 20 HBCD O=C(Cn1cnnn1)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807606963 CCRNDHYYBPZLQH-UGSOOPFHSA-N 424.421 -0.106 10 20 HBCD NC(=O)NCC(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1808001619 PFNQCGBPSFEWKB-YVEFUNNKSA-N 414.422 -0.124 10 20 HBCD CN(C)C(=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1795466945 RUMZIWZTZJRUGJ-YXGSGNFVSA-N 419.434 -0.506 10 20 HBCD O=C(c1ccnnc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1836417677 DJIGOWHYUHGSCW-LJQANCHMSA-N 415.406 -0.333 10 20 HBCD Cc1noc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)nc(O)c2)C3)n1 1795815265 FEJNMONIKVLXES-DPIQGUFMSA-N 403.395 -0.370 10 20 HBCD O=C(c1cc(O)nc(O)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCOC1)CCO2 1840874490 JMJZKJXKHUIZOK-JLTOFOAXSA-N 421.450 -0.011 10 20 HBCD COC[C@H](C)NC(=O)NC(=O)COC(=O)c1cc(NS(C)(=O)=O)ccc1O 138520948 BAIRFMGUUFIFNI-VIFPVBQESA-N 403.413 -0.219 10 20 HBCD C[C@@H](NS(C)(=O)=O)C(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 758477344 OCVLXLLWTLTCRB-GFCCVEGCSA-N 417.459 -0.241 10 20 HBCD Cc1nn[nH]c1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1836417156 BWBBLYAJXLTBKH-SFHVURJKSA-N 418.410 -0.697 10 20 HBCD C[C@H]1CC(=O)NCCN1C(=O)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 793730764 CUPYYALUTHSFFM-HOCLYGCPSA-N 415.494 -0.259 10 20 HBCD CNC(=O)[C@@H]1CN(C(=O)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CCO1 803305151 KKMXFTQSBDAQPF-PBHICJAKSA-N 404.467 -0.326 10 20 HBCD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@]2(C1)CN(C(=O)C(O)O)CCO2 1830403030 MNKJZYXGYXGPSK-KRWDZBQOSA-N 416.814 -0.868 10 20 HBCD O=C(CN1C(=O)CSC1=S)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCO3)C2)C1 1783492120 WWNVNHOUVGWNMY-SJCJKPOMSA-N 413.521 -0.144 10 20 HBCD CN1C(=O)C(=O)N(CC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1=O 733096868 BMSDRQWDYDYVCA-CYBMUJFWSA-N 401.423 -0.575 10 20 HBCD O=C(Cn1cnnn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1795859579 KUCVWLYDBPMYMM-QHBPRCKVSA-N 422.829 -0.359 10 20 HBCD C=CC(=O)N[C@@H](C)C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847056777 YWKFHUIGNBERMJ-NSHDSACASA-N 410.521 -0.259 10 20 HBCD Cn1cnc(S(=O)(=O)NCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 756097265 KHGXTBZDGUCGGL-UHFFFAOYSA-N 411.459 -0.010 10 20 HBCD NC(=O)NCC(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1808001594 PFNQCGBPSFEWKB-PXAZEXFGSA-N 414.422 -0.124 10 20 HBCD COc1ccc(N2CCN(CCNC(=O)C(=O)N[C@@H](C)C[S@](C)=O)CC2)cc1 803750334 ZXZFZHTZHGSIOZ-HBIPHATFSA-N 410.540 -0.183 10 20 HBCD O=C(NC[C@@H]1CCN(C(=O)Cn2cnnn2)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807994205 QUNQVNLSXPMIPN-SCLBCKFNSA-N 424.421 -0.106 10 20 HBCD Cn1cc(C(=O)N2CCO[C@]3(CCN(C(=O)CN4C(=O)CSC4=S)C3)C2)cn1 1785537617 CTUDJFGPNJVSDB-KRWDZBQOSA-N 423.520 -0.276 10 20 HBCD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2)c1ncc[nH]1 1794505284 LDDDLWPEBNVPLJ-DDFAGTSDSA-N 409.493 -0.527 10 20 HBCD CCN(C)[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1836419388 FWKRTAKSGSZGAL-VBKZILBWSA-N 422.482 -0.097 10 20 HBCD Cc1c(CNC(=O)C(=O)N2CCO[C@@H](CN(C)CC(N)=O)C2)n(C)c2ccccc12 568551294 JKRWPPXGKZRGCD-HNNXBMFYSA-N 415.494 -0.253 10 20 HBCD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21)c1cnc[nH]1 1786000702 HNUSCEWHZSQVGT-GVXVVHGQSA-N 423.520 -0.137 10 20 HBCD CCS(=O)(=O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)c1 1796136766 MAXSLDVUPGREJL-DRXBFXEBSA-N 413.452 -0.869 10 20 HBCD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)C(O)O)[C@H]1c1cccnc1 1814185327 PAUUCZJVUWHIGT-RISCZKNCSA-N 424.504 -0.742 10 20 HBCD O=C1C[C@@H](C(=O)N2CCCC23CN(C(=O)CN2C(=O)CSC2=S)C3)CCN1 1846425700 DDESQFKMHBZHDA-NSHDSACASA-N 410.521 -0.424 10 20 HBCD CN1C[C@@H](NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CCC1=O 793728400 YJKWDXJUYBATGP-HOTGVXAUSA-N 415.494 -0.259 10 20 HBCD CCOC(=O)c1cnn2c(O)cc(COC(=O)c3cn(CC(=O)N(C)C)nn3)nc12 920642481 GAMUTAGRCJAXSX-UHFFFAOYSA-N 417.382 -0.352 10 20 HBCD NC(=O)CCC(=O)N1CC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1783158309 ZEBVZHUJWMAVGD-XQASTXFUSA-N 419.434 -0.088 10 20 HBCD CO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785547418 ZQXUPFBWMWFTCY-ZBEGNZNMSA-N 401.510 -0.289 10 20 HBCD Cn1cnc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CSC2=S)C3)n1 1794938189 NNAAYXBXVAMHES-JGPRNRPPSA-N 408.509 -0.073 10 20 HBCD O=C(CN1C(=O)CSC1=S)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cnc[nH]1)C2 1802105020 VMFLTJHOISEHNM-CULMDFNYSA-N 423.520 -0.598 10 20 HBCD O=C(CSc1nc[nH]n1)N1CC[C@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1784387990 HZUDLNFSFMBRQK-KRWDZBQOSA-N 420.451 -0.153 10 20 HBCD O=C(Cc1cnc[nH]1)N1CCO[C@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785541321 YEHHZIOWLOYPHU-KRWDZBQOSA-N 423.520 -0.358 10 20 HBCD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1ccc(=O)oc1 1794995266 IPTVKOMHKMKYIH-FVCICTRLSA-N 401.375 -0.037 10 20 HBCD O=C(CN1C(=O)CSC1=S)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCO1)C2 1802104776 JUGSVXQCEILOJK-NWJSVONSSA-N 413.521 -0.385 10 20 HBCD COc1c([N+](=O)[O-])ccc(CN[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1O 775010970 HWVBCFDTZONYND-GXTWGEPZSA-N 401.441 -0.104 10 20 HBCD Cn1cnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)nc(O)c4)C[C@@H]32)n1 1785873848 FAJVOHQMLCIOQO-DRZSPHRISA-N 402.411 -0.472 10 20 HBCD O=C(CCN1CCOC1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 1797166798 QRHOTDHTNRUNFF-FVCICTRLSA-N 420.422 -0.462 10 20 HBCD Cc1nc[nH]c1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1836417207 FGXAGZNKUDANRQ-IBGZPJMESA-N 417.422 -0.092 10 20 HBCD Cn1ncnc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1836418086 ZANPPAYZCRHXII-SFHVURJKSA-N 418.410 -0.995 10 20 HBCD CC(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1144843657 FIMXXJBVXWRTBY-QGZVFWFLSA-N 415.537 -0.041 10 20 HBCD COc1ccc(N2CCN(S(=O)(=O)c3cn(C)c(=O)n(C)c3=O)CC2)cc1F 754040780 XIYPLGXSAFALGJ-UHFFFAOYSA-N 412.443 -0.257 10 20 HBCD COC(=O)CCN(C)S(=O)(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)O)c1 776507814 VPOYCMZHWMKPHO-UHFFFAOYSA-N 409.442 -0.092 10 20 HBCD CC[C@H](NC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)CSC1=S 1802104954 RPNYNKMOMFQVBQ-OXIQGZBJSA-N 414.553 -0.566 10 20 HBCD Cn1cncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2 1794835139 QZMCCSSQOWVBOG-QHBPRCKVSA-N 423.520 -0.516 10 20 HBCD COc1ccc(N2CCN(CCNC(=O)C(=O)NCc3nccn3C)CC2)cc1 803750789 OSHQOGQQJAFBTC-UHFFFAOYSA-N 400.483 -0.017 10 20 HBCD C[C@@H](OC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(=O)N[C@H]1CCS(=O)(=O)C1 920638071 RIFZQMCPIVBLCE-KOLCDFICSA-N 420.465 -0.388 10 20 HBCD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1nccn1)C2)c1cc(O)nc(O)c1 1777852725 QSLJSYSQEWMQFB-AUUYWEPGSA-N 416.438 -0.088 10 20 HBCD O=C(CN1C(=O)CSC1=S)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncccn1)C2 1802104402 IFBSGLPONZBOLC-GNXNZQSNSA-N 421.504 -0.460 10 20 HBCD COC[C@@H](C)NC(=O)NC(=O)COC(=O)c1cc(NS(C)(=O)=O)ccc1O 138521065 BAIRFMGUUFIFNI-SECBINFHSA-N 403.413 -0.219 10 20 HBCD C[C@H](O)CN(C(=O)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)[C@H](C)CO 793718311 IQMLFTOKBRRQOA-HLLBOEOZSA-N 420.510 -0.405 10 20 HBCD O=C(c1ccc(O)nn1)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847056017 SRJYZWRJJDXFRR-UHFFFAOYSA-N 407.477 -0.141 10 20 HBCD COc1ccc(N2CCN(C[C@@H](O)CN3C(=O)N[C@@]4(CCOC4)C3=O)CC2)cc1 758231383 ODCPHGQWOONYLZ-OXQOHEQNSA-N 404.467 -0.111 10 20 HBCD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cnnn1)C2)c1cc(O)c(O)c(Cl)c1 1799770886 SABSIQRODDWOCV-QHBPRCKVSA-N 422.829 -0.359 10 20 HBCD COc1ccc(N2CCN(CC(=O)c3c(N)n(C)c(=O)n(C)c3=O)CC2)cc1F 753857571 NGCSLSNNLDIGHY-UHFFFAOYSA-N 405.430 -0.181 10 20 HBCD COCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2 1795351743 KIWWOUWBQPUFRX-QHBPRCKVSA-N 401.510 -0.527 10 20 HBCD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCO)C2)c1cc(O)c(O)c(Cl)c1 1799768896 FVGOWLXPORCLTR-DRXBFXEBSA-N 414.842 -0.037 10 20 HBCD O=C(COCCO)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843442461 MBBKTNWULIXAJG-UHFFFAOYSA-N 400.435 -0.008 10 20 HBCD COC[C@H](NC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1779312143 BTZCEDNTEUICEA-IFXJQAMLSA-N 422.438 -0.913 10 20 HBCD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccnc3)C[C@@H]21)c1cc(O)nc(O)c1 1787291620 LEHLXHGPDVUSHP-QEJZJMRPSA-N 401.423 -0.017 10 20 HBCD C[C@H](CC(N)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)CSC1=S)C2 1793668104 ZHAZASWAOIBAIE-WISYIIOYSA-N 412.537 -0.004 10 20 HBCD Cn1cncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1836417780 MHEHFISIAXOIJA-IBGZPJMESA-N 417.422 -0.390 10 20 HBCD CC[C@@H](NC(C)=O)C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847051339 STEFNFRLKGCYRA-GFCCVEGCSA-N 412.537 -0.035 10 20 HBCD O=C(CN1C(=O)N[C@]2(CCOC2)C1=O)NCc1ccc(N2CCOCC2)c(F)c1 755832074 LRZZUYQQDSAQOC-IBGZPJMESA-N 406.414 -0.011 10 20 HBCD CNC(=O)C(C)(C)CNC(=O)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 793730804 CZCWPBBBEMFEFU-OAHLLOKOSA-N 417.510 -0.107 10 20 HBCD Cn1cc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cc(O)nc(O)c2)CCO3)cn1 1784572710 UNYTYQZJJLOBHI-IBGZPJMESA-N 401.423 -0.088 10 20 HBCD CN(C)C(=O)C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)c3)CC2)CC1 1834986967 NSDFBUOGIKCEFW-UHFFFAOYSA-N 419.482 -0.234 10 20 HBCD O=C(c1cc(O)nc(O)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCOC1)CCO2 1840874493 JMJZKJXKHUIZOK-XOBRGWDASA-N 421.450 -0.011 10 20 HBCD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]n1)C2 1802080368 VYRZPYRBYBUBLY-RVKSUISCSA-N 415.406 -0.162 10 20 HBCD NC(=O)CCC(=O)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1836531593 DVGNTPXJMWGVHA-UHFFFAOYSA-N 419.482 -0.057 10 20 HBCD Cc1ccc(C(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)c(O)c1O 780944912 FIVPBINIYQODCV-ZDUSSCGKSA-N 411.480 -0.533 10 20 HBCD Cc1nnc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)nc(O)c2)C3)o1 1795789534 BRDCLJYUNHNQFF-DPIQGUFMSA-N 403.395 -0.370 10 20 HBCD Cn1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)nc(O)c4)C3)C2)n1 1833879894 MJBLSWIJOVWUNV-SFHVURJKSA-N 418.410 -0.995 10 20 HBCD O=C(CC1(O)CCC1)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1840593134 DGRNFAQOISHEQL-FQEVSTJZSA-N 421.450 -0.132 10 20 HBCD O=C(COc1ccc(O)nn1)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843250739 JNMHXVIWUUFZJH-UHFFFAOYSA-N 401.379 -0.116 10 20 HBCD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(CCN(C(=O)c3cc(CO)on3)C2)C1 1780393314 WAJHCEVPPYNVOX-GOSISDBHSA-N 404.379 -0.270 10 20 HBCD COc1ccc(N2CCN(C[C@H](O)CN3CCN(C(=O)[C@@H](C)O)CC3)CC2)cc1 754080952 GYHAYQOHALOPKO-MJGOQNOKSA-N 406.527 -0.297 10 20 HBCD O=C(CN1CCN(Cc2cc3c(cc2O)OCO3)CC1)N[C@@H]1CCS(=O)(=O)C1 769462812 KHKGGFJPULJNAU-CQSZACIVSA-N 411.480 -0.458 10 20 HBCD O=C(CN1C(=O)CSC1=S)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc[nH]3)C[C@@H]21 1792239252 CBVHHJINURREAY-GVXVVHGQSA-N 423.520 -0.137 10 20 HBCD O=C(CN1C(=O)CSC1=S)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(F)CC1 1800362574 FUCGNLONVDISJX-DDFAGTSDSA-N 401.485 -0.062 10 20 HBCD CN(C)c1ccc(CNC(=O)C(=O)N2CCN(c3nccn(C)c3=O)CC2)cc1F 803663602 UUJFXRSNYZKYOO-UHFFFAOYSA-N 416.457 -0.050 10 20 HBCD CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCN(C(=O)N3CCOCC3)CC2)c1 1319962999 KTPHHVOUPJVFSF-UHFFFAOYSA-N 412.468 -0.026 10 20 HBCD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(CCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1780246278 APWPUCVHJIZQHJ-GOSISDBHSA-N 401.379 -0.667 10 20 HBCD CNC(=O)CCN(C)C(=O)C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 803750444 MRKVCQLJTSKOOE-UHFFFAOYSA-N 405.499 -0.472 10 20 HBCD CC(C)[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2 1793079087 MXOIAIIVNXKRPY-BAESOJJISA-N 415.537 -0.547 10 20 HBCD CC(C)[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)CSC1=S 1802105015 NRYHWNAJRZRJKY-JLUCKKNBSA-N 415.537 -0.547 10 20 HBCD C[C@H](NS(C)(=O)=O)C(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 758477345 OCVLXLLWTLTCRB-LBPRGKRZSA-N 417.459 -0.241 10 20 HBCD CO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CN3C(=O)CSC3=S)CCO2)C1 1783996501 LSLHNBFAYPVXJW-BDJLRTHQSA-N 401.510 -0.289 10 20 HBCD O=C(CN1C(=O)CSC1=S)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCCO1)CCO2 1785538416 NRBBLFQQXAUPQK-PXAZEXFGSA-N 413.521 -0.144 10 20 HBCD COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCCS(=O)(=O)N(C)C)CC2)cc1 794238465 LBWPPHIMKNQAHY-CMDGGOBGSA-N 424.523 -0.092 10 20 HBCD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)n1cnnn1 1791685802 KTSVBESYDVMDFQ-XWUBHJNHSA-N 417.426 -0.666 10 20 HBCD CC[C@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)c1 1796137196 ZWXDBAGRBBCTLB-LOUJCGABSA-N 406.439 -0.389 10 20 HBCD O=C(CCn1cncn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 1801262266 ZQAHMIHOHQTTOR-FVCICTRLSA-N 402.411 -0.622 10 20 HBCD O=C(CN1C(=O)CSC1=S)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnnc1)C2 1802104418 JFQKVADCFHCJBS-JJLQDPRZSA-N 421.504 -0.460 10 20 HBCD O=C(c1c[nH]c(=O)cn1)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847055183 CXAPMHBXLDXBTH-UHFFFAOYSA-N 407.477 -0.553 10 20 HBCD COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCCCNS(C)(=O)=O)CC2)cc1 778230246 BANVEPPAEFADAP-CMDGGOBGSA-N 424.523 -0.045 10 20 HBCD NS(=O)(=O)c1cnn(CC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 1321309143 JXDZDRVNGUUTGD-UHFFFAOYSA-N 411.459 -0.053 10 20 HBCD O=C(CN1C(=O)CSC1=S)N1CCO[C@]2(CCN(C(=O)c3cccnn3)C2)C1 1779468162 RREZVXFHLJTXNV-QGZVFWFLSA-N 421.504 -0.220 10 20 HBCD O=C(c1cc(=O)n2[nH]cnc2n1)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843249691 MLUDGLDMOHUSHB-UHFFFAOYSA-N 411.378 -0.645 10 20 HBCD Cn1nc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CN2C(=O)CSC2=S)cc1O 1848331112 XPWQUBWRWCSEPX-QWRGUYRKSA-N 409.493 -0.199 10 20 HBCD C[C@H](NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(N2CCOCC2)cc1 65277633 KGBMBLOUTCCJSN-ZDUSSCGKSA-N 408.480 -0.040 10 20 HBCD C[C@@H]1CN(c2ccc(CNC(=O)C(=O)N3CCO[C@H](C(N)=O)C3)cc2F)C[C@@H](C)O1 789816321 CVXHCWMIAXMPGV-XNJGSVPQSA-N 422.457 -0.232 10 20 HBCD O=C1CC[C@H](C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)N1 1777848041 ZNLBAZZYSMVKOI-ARGWCVDVSA-N 418.450 -0.101 10 20 HBCD Cc1nc(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CN2C(=O)CSC2=S)no1 1848191974 PDKFBTBASQCOFS-QWRGUYRKSA-N 409.493 -0.017 10 20 HBCD C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(=O)N1CCS(=O)(=O)CC1 764137884 OKGMIVMXVXIKSH-SNVBAGLBSA-N 419.481 -0.861 10 20 HBCD O=C(CN1C(=O)CSC1=S)N1CC[C@@]2(C1)CN(C(=O)c1cnccn1)CCO2 1785537818 KOHAGGPFNFVHBJ-QGZVFWFLSA-N 421.504 -0.220 10 20 HBCD O=C1C[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)nc(O)c4)C[C@@H]32)CN1 1790857734 DAECGBQVPWFMPK-PYJNHQTQSA-N 404.423 -0.778 10 20 HBCD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@H](O)CN1 1799924558 ZWDNBCOPCHKTMP-PPCPHDFISA-N 412.537 -0.792 10 20 HBCD CC(C)(C)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1836417140 BLKLFWWGELKONR-HXUWFJFHSA-N 422.482 -0.049 10 20 HBCD COCC[C@H](NC(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1)C(N)=O 778417861 BJPXEAIMRZSYLW-OZSKJFCKSA-N 404.467 -0.093 10 20 HBCD COc1ccc(N2CCN(C[C@@H](O)CN(C)CCNS(C)(=O)=O)CC2)cc1 1320971160 UTNHZJLYYKQERJ-KRWDZBQOSA-N 400.545 -0.341 10 20 HBCD O=C(CN1C(=O)N[C@@]2(CCOC2)C1=O)NCc1ccc(N2CCOCC2)c(F)c1 755832076 LRZZUYQQDSAQOC-LJQANCHMSA-N 406.414 -0.011 10 20 HBCD CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1 1254026886 BCDUVHHPJMXDHU-CYBMUJFWSA-N 417.509 -0.291 10 20 HBCD C[C@@H](CC(N)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)CSC1=S)C2 1793668105 ZHAZASWAOIBAIE-YFKTTZPYSA-N 412.537 -0.004 10 20 HBCD COCCS(=O)(=O)CC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1351269661 DODLWHYTKHUNKG-UHFFFAOYSA-N 404.510 -0.401 10 20 HBCD Cc1nn[nH]c1C(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785538110 IICCVVKMXCHDHA-INIZCTEOSA-N 424.508 -0.583 10 20 HBCD C=CC(=O)N[C@H](C)C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847056776 YWKFHUIGNBERMJ-LLVKDONJSA-N 410.521 -0.259 10 20 HBCD CCN1CCN(CC(=O)NCc2ccc(N3CCN(C(C)=O)CC3)cc2)C(=O)C1=O 787325536 NLLQWXUFJDBHLQ-UHFFFAOYSA-N 415.494 -0.338 10 20 HBCD CN(C)CCN1C[C@@H](C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1=O 746136065 ATEDLZUYOQRCEC-KRWDZBQOSA-N 422.551 -0.052 10 20 HBCD O=C(/C=C/c1ccc(O)c(O)c1O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCO)C2 1802079403 HIXFIXXXKFTJCU-UNALJEAJSA-N 422.434 -0.585 10 20 HBCD NC(=O)[C@H](N)CCC(=O)N1CCCC2(CCN(C(=O)c3cc(O)nc(O)c3)CC2)C1 1809822375 OXTYSMUNRQAVFR-CQSZACIVSA-N 419.482 -0.070 10 20 HBCD CNS(=O)(=O)CCNC(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1 784705552 XZIVKNJCWLQIRE-BQYQJAHWSA-N 410.496 -0.435 10 20 HBCD O=C(CN1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1)N[C@@H]1CCS(=O)(=O)C1 779521128 WRDQPEOXXRYFBB-NSRYLSIASA-N 423.491 -0.442 10 20 HBCD CS(=O)(=O)NCCNC(=S)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 727083648 GXYSFBXORJNXHE-UHFFFAOYSA-N 420.582 -0.565 10 20 HBCD COC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2 1792576633 GPEKGCSMAOFRCQ-GNXNZQSNSA-N 415.537 -0.139 10 20 HBCD Nc1n[nH]c(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)nc(O)c2)C3)n1 1797624099 MKBJDPJADBDACK-CULMDFNYSA-N 417.426 -0.971 10 20 HBCD C[C@H](O)CN(C(=O)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)[C@@H](C)CO 793718316 IQMLFTOKBRRQOA-YQQAZPJKSA-N 420.510 -0.405 10 20 HBCD C[C@@H](NC=O)C(=O)N1CCO[C@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785510090 MEAQVZAITQQGNR-OBOGRJQTSA-N 419.434 -0.219 10 20 HBCD O=C1CC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)nc(O)c2)C3)CN1 1792582197 NXXPVWWXYRXNRH-MMPOEDRJSA-N 404.423 -0.778 10 20 HBCD CCS(=O)(=O)N[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843248886 DYQZNKFXQPULLO-NSHDSACASA-N 412.468 -0.362 10 20 HBCD Cn1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)nc(O)c4)C3)C2)n1 1834245520 RSZNVPOQFLBDDI-LJQANCHMSA-N 417.422 -0.390 10 20 HBCD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CC[C@@H](S(N)(=O)=O)C3)cc2)C1 770299831 MPDNPYFYBVWSNW-GOEBONIOSA-N 409.512 -0.039 10 20 HBCD C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 779500240 NYSHXOFAJUTZCQ-GUYCJALGSA-N 409.508 -0.187 10 20 HBCD C[C@](O)(CC(=O)O)CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1783924140 KCQVNMVIMOXBJH-MOPGFXCFSA-N 423.422 -0.448 10 20 HBCD O=C(Cn1ccccc1=O)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847056942 WJUJOBCSFTZCHL-UHFFFAOYSA-N 420.516 -0.088 10 20 HBCD COCCOC(=O)c1c(NC=C2C(=O)NC(=S)NC2=O)sc(C(N)=O)c1C 29006591 HDHXEESYDORGGV-UHFFFAOYSA-N 412.449 -0.215 10 20 HBCD CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCNS(=O)(=O)Cc2ccon2)c1 750249273 CKGBAGDXHAJQJI-UHFFFAOYSA-N 418.453 -0.399 10 20 HBCD COc1ccc(N2CCN(C[C@H](O)CN3CCN4C(=O)NC(=O)[C@H]4C3)CC2)cc1 754083262 YOLRSEHREKSVEP-FUHWJXTLSA-N 403.483 -0.586 10 20 HBCD Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2C(=O)CSC2=S)C3)n[nH]1 1798651710 RZKMKSBGWOCCRC-QHBPRCKVSA-N 423.520 -0.218 10 20 HBCD O=C(CN1C(=O)CSC1=S)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCOC1)CCO2 1785546190 IBFKNXVMHMFVOW-SJCJKPOMSA-N 413.521 -0.287 10 20 HBCD O=C(CN1C(=O)CSC1=S)N1CCO[C@@]2(COCCN(C(=O)C(F)F)C2)C1 1840895987 YUQVHKLYWIVJBN-HNNXBMFYSA-N 423.463 -0.432 10 20 HBCD COc1ccc(N2CCN(C(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)CC2)cc1F 781968580 FVZKTICVQKABDP-LLVKDONJSA-N 402.448 -0.724 10 20 HBCD Cn1cncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1836417781 MHEHFISIAXOIJA-LJQANCHMSA-N 417.422 -0.390 10 20 HBCD COc1ccc(N2CCN(CC(=O)NC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cc1 916568312 LECGLUMRIIGLRP-CQSZACIVSA-N 410.496 -0.170 10 20 HBCD C[C@@H](NC=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1799295659 YMFJNJQQLVBVJV-VHCMMMLTSA-N 419.434 -0.459 10 20 HBCD O=C(CN1C(=O)CSC1=S)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccon1)C2 1802104560 WWGCBXHTXKCIOP-WDAIWFPHSA-N 410.477 -0.262 10 20 HBCD O=C(Cn1cnnn1)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807606959 CCRNDHYYBPZLQH-FZKQIMNGSA-N 424.421 -0.106 10 20 HBCD CC(=O)N1CCN(c2ccc(CNC(=O)CN3CCS(=O)(=O)CC3)cc2)CC1 786660550 ZRZDUHXPPNCLRO-UHFFFAOYSA-N 408.524 -0.298 10 20 HBCD C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)n1ccnn1 1800264959 OLIGEJHAJPGSIK-VFFTVRQLSA-N 402.411 -0.451 10 20 HBCD CCN1CCN(c2ccc(CNC(=O)C(=O)N3CCNC(=O)[C@H]3C)cc2F)CC1 805010051 SMFMXYZMCILGQZ-CQSZACIVSA-N 405.474 -0.069 10 20 HBCD Cc1nn[nH]c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1787184469 NBHJONRQGYIQRU-DRZSPHRISA-N 402.411 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DUBYKCRWKDIDCV-ORAYPTAESA-N 407.423 -0.401 10 20 HBCD O=C(COC(=O)CC[C@@H]1NC(=O)NC1=O)NCc1ccc(N2CCOCC2)c(F)c1 1323931342 NERHXGMXLUSCJW-AWEZNQCLSA-N 422.413 -0.190 10 20 HBCD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cncn1 1796293773 HDQOWMPLZZWYAQ-ZSBIGDGJSA-N 408.509 -0.223 10 20 HBCD CN(CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1)C(=O)C(=O)O 1796604186 MRNRRGHMQWZBPF-ZSBIGDGJSA-N 406.395 -0.712 10 20 HBCD O=C(CN1C(=O)CSC1=S)Nc1nc2c(s1)C[C@H](NC(=O)C(O)O)CC2 1828243357 QRHIDPAFHVOMGR-ZCFIWIBFSA-N 416.506 -0.774 10 20 HBCD O=C(Cn1cnnn1)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847038820 JXSCRJKSDMZYQZ-HWKANZROSA-N 400.395 -0.293 10 20 HBCD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(CCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1780246279 APWPUCVHJIZQHJ-SFHVURJKSA-N 401.379 -0.667 10 20 HBCD O=C(CN1C(=O)CSC1=S)Nc1cc([C@H]2CCCCN2C(=O)C(O)O)[nH]n1 1823496759 OTUWXLQNGJBEQC-SECBINFHSA-N 413.481 -0.427 10 20 HBCD CC[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21 1783965154 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O=C(CCn1ccnn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 1801393728 XXUAHHWJAUSVPY-FVCICTRLSA-N 402.411 -0.622 10 20 HBCD CC(=O)N(C)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)c1 1796136194 ZXRLZLRWTZSAAL-ZSBFGKGUSA-N 406.439 -0.436 10 20 HBCD C[C@H](NC=O)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785510084 MEAQVZAITQQGNR-HBRHUWOESA-N 419.434 -0.219 10 20 HBCD COCCC(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785538113 IOUKBJWTWDFCCX-MRXNPFEDSA-N 401.510 -0.287 10 20 HBCD CC(=O)N/C(C)=C/C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1782623292 IQEKUXHJPHRXAI-LKQLOZHYSA-N 404.423 -0.024 10 20 HBCD CNC(=O)CC(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785503652 NDELYAYHAXJEFN-HQMUEHRGSA-N 419.434 -0.217 10 20 HBCD CC1(C(=O)N2CCO[C@@]3(CCN(C(=O)CN4C(=O)CSC4=S)C3)C2)COC1 1785539057 GLEHPEGPBQTSNF-QGZVFWFLSA-N 413.521 -0.287 10 20 HBCD NC(=O)NCC(=O)N1CC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1785633446 MGRBEWRXWFXQGT-NLJSWGTCSA-N 420.422 -0.685 10 20 HBCD CCN(CC(=O)NCc1ccc(N(C)C)cc1)CC(=O)N[C@@H]1CCS(=O)(=O)C1 727238567 FSOCKLJIZDKEHT-MRXNPFEDSA-N 410.540 -0.006 10 20 HBCD COc1ccc(N2CCN(C[C@@H](O)CN(C)C[C@H](O)CN3CCOCC3)CC2)cc1 754053113 XHXIQYUPKVWKFF-SFTDATJTSA-N 422.570 -0.197 10 20 HBCD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21)c1cc[nH]n1 1784683476 OEMXKBBSZOQZPH-GVXVVHGQSA-N 423.520 -0.137 10 20 HBCD CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)NCc1ccc(N2CCOCC2)cc1 788319278 CFNYXZLWKQMOBO-IBGZPJMESA-N 420.510 -0.709 10 20 HBCD Cn1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CN4C(=O)CSC4=S)C3)C2)n1 1785537829 KRLMJMXEGRNWAC-QGZVFWFLSA-N 423.520 -0.276 10 20 HBCD CC(=O)N(C)[C@H](C)C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847054194 HSCIWQMZBKDBBL-LLVKDONJSA-N 412.537 -0.083 10 20 HBCD C[C@H]1CN(c2ccc(CNC(=O)C(=O)N3CCO[C@H](C(N)=O)C3)cc2F)C[C@@H](C)O1 789816318 CVXHCWMIAXMPGV-AHIWAGSCSA-N 422.457 -0.232 10 20 HBCD COc1ccc(N2CCN(C(=O)C(=O)NC[C@H](C)S(N)(=O)=O)CC2)cc1F 781968582 FVZKTICVQKABDP-NSHDSACASA-N 402.448 -0.724 10 20 HBCD CC(=O)N1CCN(c2ccc(CNS(=O)(=O)CCS(C)(=O)=O)cc2)CC1 786122073 MRCNTKJSOHXHBP-UHFFFAOYSA-N 403.526 -0.181 10 20 HBCD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C(=O)N3CCn4ncnc4C3)cc2)C1 793716356 CNSMYPRHMGFBCF-HNNXBMFYSA-N 411.466 -0.362 10 20 HBCD O=C(Cn1cnnn1)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807606961 CCRNDHYYBPZLQH-SCLBCKFNSA-N 424.421 -0.106 10 20 HBCD COc1ccc(N2CCN(C[C@H](O)CN(C)CCNS(C)(=O)=O)CC2)cc1 1320971161 UTNHZJLYYKQERJ-QGZVFWFLSA-N 400.545 -0.341 10 20 HBCD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1ccnn1)C2)c1cc(O)nc(O)c1 1777848247 NCBABUNSKVHGBT-AUUYWEPGSA-N 416.438 -0.088 10 20 HBCD O=C(CN1C(=O)CSC1=S)N1CC[C@]2(C1)CN(C(=O)c1ccncn1)CCO2 1785540928 SBNOXPADCHJLEG-KRWDZBQOSA-N 421.504 -0.220 10 20 HBCD O=C(c1cn[nH]c1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1836417254 IQBYHQQWONUPML-SFHVURJKSA-N 403.395 -0.400 10 20 HBCD C[C@@H](Cn1cncn1)NC(=O)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 793717132 HCEYCVZMEYJCNG-HOCLYGCPSA-N 413.482 -0.199 10 20 HBCD O=C(CN1C(=O)CSC1=S)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncon1)C2 1802105238 HJZQDPWARQXXCZ-BZBKMWRSSA-N 411.465 -0.867 10 20 HBCD CN(C)c1ccc(CNC(=O)CN2CCN(C(=O)CN3CCOCC3)CC2)cc1 21422042 AGQGSNLMNPJJRW-UHFFFAOYSA-N 403.527 -0.155 10 20 HBCD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Cn3cc(S(N)(=O)=O)cn3)cc2)C1 748560213 IOXXNOZAIIHJAP-AWEZNQCLSA-N 420.495 -0.451 10 20 HBCD COCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2C1 1792238741 QQZLXYAMOXFDOD-AVGNSLFASA-N 415.537 -0.137 10 20 HBCD CCOC(=O)N[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1778783048 FTWMMDOOMNVYAU-KDOFPFPSSA-N 424.410 -0.999 10 20 HBCD C[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21 1791054906 XHSWCQAPVYLLJL-RHYQMDGZSA-N 401.510 -0.793 10 20 HBCD COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)nc(O)c2)nn1 1796139521 BHBBUDWBPMKYFQ-DPIQGUFMSA-N 415.406 -0.192 10 20 HBCD Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)nc(O)c2)C3)n[nH]1 1797851678 SCRUKOADPCLMFT-IVWMJMPLSA-N 401.423 -0.030 10 20 HBCD Cn1nc(C(=O)N2CCCC23CN(C(=O)CN2C(=O)CSC2=S)C3)cc1O 1842193325 SPIHENQKVVCUQU-UHFFFAOYSA-N 409.493 -0.197 10 20 HBCD O=C(/C=C\c1ccc(O)c(O)c1)OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 759588226 JTYSKDLKPJQDRC-NSRYLSIASA-N 424.475 -0.015 10 20 HBCD COCCN1C(=O)/C(=C\Nc2ccc(OC)c(S(N)(=O)=O)c2)C(=O)NC1=S 920978618 AGCFIBMYNHWSML-NTMALXAHSA-N 414.465 -0.472 10 20 HBCD O=C(Cn1cnnn1)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782002192 RYADYSZXDLPBQQ-QGZVFWFLSA-N 422.829 -0.119 10 20 HBCD NC(=O)NCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782007490 JDYOXZGTJGQNPE-KRWDZBQOSA-N 412.830 -0.137 10 20 HBCD CC(C)[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2 1793079090 MXOIAIIVNXKRPY-JLUCKKNBSA-N 415.537 -0.547 10 20 HBCD CC[C@H](C)[C@@H](N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1836417356 NNHCWPBYPTXBLU-ZLXGRDSLSA-N 422.482 -0.064 10 20 HBCD O=C(c1cc(O)nc(O)c1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCOC1)CCO2 1840535113 DUBYKCRWKDIDCV-DJJJIMSYSA-N 407.423 -0.401 10 20 HBCD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)Cn1cc(S(N)(=O)=O)cn1 748422956 UHVDQFWTXWBNFE-UHFFFAOYSA-N 409.468 -0.202 10 20 HBCD Cn1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)nc(O)c4)C3)C2)n1 1834245518 RSZNVPOQFLBDDI-IBGZPJMESA-N 417.422 -0.390 10 20 HBCD O=C(/C=C/c1ccc(O)c(O)c1)OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 759588228 JTYSKDLKPJQDRC-OMDKTOEGSA-N 424.475 -0.015 10 20 HBCD O=C(CN1C(=O)CSC1=S)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCCO3)C2)C1 1783492119 WWNVNHOUVGWNMY-PXAZEXFGSA-N 413.521 -0.144 10 20 HBCD CC(=O)N(C)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1784935281 VZESJLLIYIXCEO-BPUTZDHNSA-N 420.466 -0.046 10 20 HBCD Cn1nccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2 1794786539 XVCHYWYIJIFTHS-QHBPRCKVSA-N 423.520 -0.516 10 20 HBCD CC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2 1795145107 MYXCPAUDBMCGGV-DRXBFXEBSA-N 413.521 -0.195 10 20 HBCD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2)[C@H]1C[C@@H]1F 1800380932 IUAJTSVRTAQQFB-KKSJPVRNSA-N 401.485 -0.206 10 20 HBCD O=C(c1cnc(O)nc1O)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847054655 UPNAIEBTPRSTSD-UHFFFAOYSA-N 423.476 -0.435 10 20 HBCD O=C(Cc1cnc[nH]1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1836417323 MOUPNNUHGVDTPO-IBGZPJMESA-N 417.422 -0.471 10 20 HBCD CN(C)c1ccc(CNC(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)cc1 785440731 BSWPRAKHYQAYFC-UHFFFAOYSA-N 409.468 -0.407 10 20 HBCD C[C@@H](Cn1cncn1)NC(=O)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 793717131 HCEYCVZMEYJCNG-GOEBONIOSA-N 413.482 -0.199 10 20 HBCD CCNC(=S)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1782644550 WVRZQAVBGIRSTN-GOSISDBHSA-N 423.495 -0.580 10 20 HBCD C[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1840030078 ZNRUIMVXXLDBGR-IAYHDBKASA-N 422.434 -0.346 10 20 HBCD O=C(CCn1cc[nH]c(=O)c1=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 727851307 KCARUAGIJVMAKL-UHFFFAOYSA-N 406.464 -0.522 10 20 HBCD COc1ccc(N2CCN(CCNC(=O)c3cn(C)c(=O)n(C)c3=O)CC2)cc1 735040172 ZDPUSCKBAUINAQ-UHFFFAOYSA-N 401.467 -0.355 10 20 HBCD O=C(CN1C(=O)CSC1=S)N1CCOC[C@]2(C1)CN(C(=O)C(F)F)CCO2 1834918547 IGLUGIVJJLEIAK-HNNXBMFYSA-N 423.463 -0.432 10 20 HBCD CCNC(=S)NCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1782644552 WVRZQAVBGIRSTN-SFHVURJKSA-N 423.495 -0.580 10 20 HBCD O=C(COc1cccnn1)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1784457341 KYKZRRMCZQBZEB-LJQANCHMSA-N 415.406 -0.195 10 20 HBCD C=CC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1788753761 JNYSRRKQCGTSTA-DHMWGJHJSA-N 418.450 -0.223 10 20 HBCD C[C@H](Cn1cncn1)C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1779217555 MNTZZWUKOSRDDR-BFUOFWGJSA-N 416.438 -0.136 10 20 HBCD Cn1cncc1C(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785537744 JBEXZUSYZHGROR-QGZVFWFLSA-N 423.520 -0.276 10 20 HBCD O=C1OCCN1CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1C(=O)CSC1=S 1847691763 LSSIAISORZAZEO-QWRGUYRKSA-N 412.493 -0.499 10 20 HBCD CN(C)C(=O)C(=O)N1CCO[C@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785509647 ZNGCEYXPPLUTBE-XXIDSNJLSA-N 419.434 -0.265 10 20 HBCD CCS(=O)(=O)CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1C(=O)CSC1=S 1847790233 TXENBMLCLSFLSE-QWRGUYRKSA-N 419.550 -0.517 10 20 HBCD CCN1CCN(c2ccc(CNC(=O)C(=O)N3CCO[C@H](C(N)=O)C3)cc2F)CC1 805009065 FRTQUGAQSIGRPP-KRWDZBQOSA-N 421.473 -0.704 10 20 HBCD COc1ccc(N2CCN(C(=O)COC(=O)CN3C(=O)CN(C)C3=O)CC2)cc1 7095675 IBLMKOZIPKPUNB-UHFFFAOYSA-N 404.423 -0.219 10 20 HBCD C[C@@H](NC(=O)C(=O)N1CC[C@H](S(N)(=O)=O)C1)c1ccc(N2CCOCC2)cc1 803305482 MVXPBKTZUZDXQV-CJNGLKHVSA-N 410.496 -0.410 10 20 HBCD C[C@@](O)(CC(=O)O)CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1783924146 KCQVNMVIMOXBJH-RBUKOAKNSA-N 423.422 -0.448 10 20 HBCD CC(=O)N1CCN(c2ccc(CNC(=O)CN3C(=O)C(=O)N(C)C3=O)cc2)CC1 786656541 NLIXHYPCDMYNEW-UHFFFAOYSA-N 401.423 -0.608 10 20 HBCD Cn1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)nc(O)c2)cc1O 1796136060 LYVWKSHVIXGZRF-CULMDFNYSA-N 403.395 -0.551 10 20 HBCD Cn1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(O)nc(O)c2)CCO3)cn1 1836418043 WGPJZXGLFKDHSX-IBGZPJMESA-N 417.422 -0.390 10 20 HBCD CN(C)CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@H]1CCS(=O)(=O)C1 769953548 LTGDRNIZSYQKAL-ZDUSSCGKSA-N 419.525 -0.045 10 20 HBCD COc1ccc(N2CCN(C(=O)/C=C/C(=O)NN3CC(=O)N(C)C3=O)CC2)cc1 779541628 OPNPECUITYYDJQ-BQYQJAHWSA-N 401.423 -0.175 10 20 HBCD COc1ccc(N2CCN(CCCNC(=O)C(=O)NCC[S@@](C)=O)CC2)cc1 785528438 HUDGMTNYVKSAKZ-MUUNZHRXSA-N 410.540 -0.182 10 20 HBCD C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)n1ccnn1 1790640002 HYIUVOURQXJUKT-JURCDPSOSA-N 416.438 -0.061 10 20 HBCD N=C1NCCN1CC(=O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1 1847039212 SNQPIEVHYPFLQJ-HWKANZROSA-N 415.450 -0.140 10 20 HBCD CN(C)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1ccc(O)c(O)c1O 1802080949 BZRSPNCNZCGYGS-SKBGBOCVSA-N 405.451 -0.032 10 20 HBCD NC(=O)c1cc(S(=O)(=O)NCC(=O)NCc2ccc(N3CCOCC3)cc2)c[nH]1 742246839 FBPGWCAOTFSOPK-UHFFFAOYSA-N 421.479 -0.455 10 20 HBCD NC(=O)[C@@H](N)CCC(=O)N1CCCC2(CCN(C(=O)c3cc(O)nc(O)c3)CC2)C1 1809822373 OXTYSMUNRQAVFR-AWEZNQCLSA-N 419.482 -0.070 10 20 HBCD 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10 20 HBCD O=C(CN1C(=O)CSC1=S)N1CC[C@@]2(C1)CN(C(=O)C1CC(O)C1)CCO2 1785539009 DFUCZIYULRFVDN-VCMHEYGDSA-N 413.521 -0.553 10 20 HBCD CN1CCN(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(O)nc(O)c2)CCO3)CC1 1778261166 VSCMDLBEXDZIID-HXUWFJFHSA-N 419.482 -0.816 10 20 HBCD O=C(CN1C(=O)CSC1=S)N1CC[C@]2(C1)CN(C(=O)Cn1ccnc1)CCO2 1785537673 GXMFEWBJFVKTQP-KRWDZBQOSA-N 423.520 -0.427 10 20 HBCD CCNC(=S)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)c1 1796141234 SCMJWSPHIIBJMN-DRXBFXEBSA-N 423.495 -0.820 10 20 HBCD NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)c3)CC2)CC1 1834987344 LQYQVNBRQHUAQO-UHFFFAOYSA-N 419.482 -0.057 10 20 HBCD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(COCCN(C(=O)c3ncc[nH]3)C2)C1 1836418006 UPSDESYNPIUTSV-SFHVURJKSA-N 403.395 -0.400 10 20 HBCD CCOC(=O)c1cnn2c(O)cc(COC(=O)CN3C(=O)C(=O)N(C)C3=O)nc12 733564769 NKZOIBORDJSWQT-UHFFFAOYSA-N 405.323 -0.925 10 20 HBCD CCOC(=O)N1CCN(S(=O)(=O)Nc2ccc(NS(=O)(=O)NC)cc2)CC1 797432779 RZORJBAMGPZPLI-UHFFFAOYSA-N 421.501 -0.007 10 20 HBCD 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CS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 918340465 OZXTVSZSOXWFFO-MRXNPFEDSA-N 415.537 -0.038 10 20 HBCD C[C@@H](O)C(=O)N1CC[C@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1 1783518828 GQLCPVWQSZBYSS-JLTOFOAXSA-N 400.435 -0.010 10 20 HBCD CC(=O)NCC(=O)N1CCO[C@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785510676 XPMZLNVTQFDDFJ-GECPCNCSSA-N 419.434 -0.217 10 20 HBCD Cn1cnn(CC(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1=O 781262741 FWKVSMHOPRUZHU-UHFFFAOYSA-N 407.402 -0.583 10 20 HBCD COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCCN3CCNC(=O)C3)CC2)cc1 781411443 JWGZOIOLGNECKO-SREVYHEPSA-N 415.494 -0.552 10 20 HBCD COc1ccc(N2CCN(CCNC(=O)C(=O)N3C[C@H](C)O[C@@H](CO)C3)CC2)cc1 803747813 UTGKONCXHVCQSG-QFBILLFUSA-N 420.510 -0.458 10 20 HBCD CS(=O)(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)c1 1796140358 LNKIQTLKCKSWAB-DRXBFXEBSA-N 413.452 -0.869 10 20 HBCD O=C(c1cc(O)c(O)c(Cl)c1)N1CCOC[C@@]2(C1)CN(C(=O)C(O)O)CCO2 1830403032 MNKJZYXGYXGPSK-QGZVFWFLSA-N 416.814 -0.868 10 20 HBCD CC(=O)N(C)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2C1 1787290208 IVUGEQDYDLKJQU-BPUTZDHNSA-N 420.466 -0.046 10 20 HBCD CCS(=O)(=O)NCC(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 767395644 IPBPDRDBPCAMLR-UHFFFAOYSA-N 417.459 -0.239 10 20 HBCD COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCC(=O)N3CCOCC3)CC2)cc1 778423625 ULCIDYGFAPLQMI-SREVYHEPSA-N 416.478 -0.125 10 20 HBCD COCC(=O)N1CCN(C[C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)CC1 779219192 JAZUHADKDDDQHQ-LJQANCHMSA-N 406.527 -0.031 10 20 HBCD CC[C@H](C)[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1831509120 OFVCINGOPMLPCU-ROOHIHILSA-N 423.466 -0.030 10 20 HBCD O=C(CN1C(=O)CSC1=S)N1CCO[C@]2(COCCN(C(=O)C(F)F)C2)C1 1840895988 YUQVHKLYWIVJBN-OAHLLOKOSA-N 423.463 -0.432 10 20 HBCD C[C@H]1CN(C)C(=O)CN1C(=O)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 793716690 DVEXDNKUFCEWAP-HOCLYGCPSA-N 415.494 -0.306 10 20 HBCD COc1ccc(N2CCN(CCNC(=O)C(=O)N3C[C@@H](CO)O[C@H](C)C3)CC2)cc1 803747807 UTGKONCXHVCQSG-APWZRJJASA-N 420.510 -0.458 10 20 HBCD CN1CCN(C)[C@H](CNC(=O)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1 806058538 MPNZUSXFJDOYCS-LJQANCHMSA-N 403.527 -0.156 10 20 HBCD CS(=O)(=O)Nc1ccc(O)c(C(=O)NCc2ccc(C(=O)NCC(N)=O)cc2)c1 919814916 VWRVDJSTWUZRIH-UHFFFAOYSA-N 420.447 -0.091 10 20 HBCD CN(C)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1795187779 ZBWLRGDPMSSOKR-SKBGBOCVSA-N 405.451 -0.032 10 20 HBCD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCn3cncn3)C[C@@H]21)c1cc(O)nc(O)c1 1787295212 VNWLXADXEBSCOE-QEJZJMRPSA-N 416.438 -0.232 10 20 HBCD Cn1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)nc(O)c4)C3)C2)cn1 1834170512 MTTBGGYAIJYMLN-LJQANCHMSA-N 417.422 -0.390 10 20 HBCD NCC(=O)N1CCO[C@]2(COCCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1 1835547292 CVZFSKXKSDSCQJ-HXUWFJFHSA-N 415.450 -0.806 10 20 HBCD Cc1nc[nH]c1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1836554041 GJOFBBDSBPVFBF-LJQANCHMSA-N 417.422 -0.092 10 20 HBCD C[C@@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CSC1=S)C2 1781995300 JEJGZYMJZRWQRD-PSTGCABASA-N 415.537 -0.259 10 20 HBCD Cn1ncnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1785849747 NMZWOHKHQSBXCR-DRZSPHRISA-N 402.411 -0.472 10 20 HBCD CNC(=S)NCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 1797756040 BHMIJGMZFFPKKL-DRXBFXEBSA-N 423.495 -0.820 10 20 HBCD COc1ccc(N2CCN(C(=O)COC(=O)c3cn(CC(N)=O)nn3)CC2)cc1 745467360 GLPFXGIDSAWSKY-UHFFFAOYSA-N 402.411 -0.722 10 20 HBCD C=CC(=O)N[C@@H](C)C(=O)N1CCCC12CN(C(=O)CN1C(=O)CSC1=S)C2 1844373841 NPVHHLUFCCCRIX-NSHDSACASA-N 410.521 -0.259 10 20 HBCD O=C(CCN1CCOC1=O)N1CC[C@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1778160123 GCNCLCOIJBDADX-IBGZPJMESA-N 420.422 -0.221 10 20 HBCD COC(=O)NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)c2)C1 1777851256 XEGLOBRDAQZEGS-BFUOFWGJSA-N 422.438 -0.024 10 20 HBCD CCOC(=O)c1cnn2c(O)cc(COC(=O)CN3C(=O)NC(=O)C3(C)C)nc12 745045526 RLPVJTBEOAUHHI-UHFFFAOYSA-N 405.367 -0.015 10 20 HBCD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)c1cc(O)ncn1 1784665009 KVAAMALHTMOWMO-JKOKRWQUSA-N 415.406 -0.105 10 20 HBCD 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COc1c([N+](=O)[O-])ccc(CN[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1O 775010971 HWVBCFDTZONYND-JSGCOSHPSA-N 401.441 -0.104 10 20 HBCD O=C(Cn1cnnn1)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782002188 RYADYSZXDLPBQQ-KRWDZBQOSA-N 422.829 -0.119 10 20 HBCD O=C(CN1C(=O)CSC1=S)N1CCC2(CCCN(C(=O)C(O)O)C2)CC1 1805288494 JMKYXLVNQMBLPD-UHFFFAOYSA-N 401.510 -0.611 10 20 HBCD CN[C@H](CC(=O)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1)C(=O)O 1847056832 OTNDQBZCVSWUNJ-SNVBAGLBSA-N 414.509 -0.887 10 20 HBCD O=C(OCC(=O)c1ccc(O)c(O)c1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 916602716 AXSXVWXUONQLER-NSHDSACASA-N 410.404 -0.011 10 20 HBCD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCOCC1)C2)c1cc(O)nc(O)c1 1796138343 WCSGRBRSQSUNGW-CCWDJLKJSA-N 420.466 -0.582 10 20 HBCD O=C1CC[C@@H](C(=O)N2CCCC23CN(C(=O)CN2C(=O)CSC2=S)C3)CN1 1841115814 PJGRJRNBDNMRMI-LLVKDONJSA-N 410.521 -0.424 10 20 HBCD Cc1nc[nH]c1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1836417208 FGXAGZNKUDANRQ-LJQANCHMSA-N 417.422 -0.092 10 20 HBCD 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10 20 HBCD CNC(=O)[C@H]1CN(C(=O)/C=C\C(=O)N2CCN(c3ccc(OC)cc3)CC2)CCO1 782089520 RBYMGVNYYTVRFY-JTHGQSKGSA-N 416.478 -0.127 10 20 HBCD CCOC(=O)c1cnn2c(O)cc(COC(=O)CN3CCN(CC)C(=O)C3=O)nc12 919147364 MHJDGZVEZKIKPS-UHFFFAOYSA-N 419.394 -0.655 10 20 HBCD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1cc(O)ncn1 1793490974 DIBWMAJZUIGDKX-CULMDFNYSA-N 401.379 -0.495 10 20 HBCD COC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1831623900 GNDDZPJGYGOWRL-DJJJIMSYSA-N 409.439 -0.155 10 20 HBCD CN1CCN(CCC(=O)N2CC3(CCCN3C(=O)c3cc(O)nc(O)c3)C2)CC1 1843249672 KACUXPIUEBEXOP-UHFFFAOYSA-N 403.483 -0.053 10 20 HBCD O=C1C[C@@H](C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)CN1 1777851397 ZFBTWJPZJZRCCR-ARGWCVDVSA-N 418.450 -0.244 10 20 HBCD O=C1C[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)CSC2=S)C3)CN1 1801674118 ICUAFLBZINAVDX-YFKTTZPYSA-N 410.521 -0.379 10 20 HBCD COCC(=O)N1CCN(C(=O)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 789798353 FYKHXJAAAUCZAC-UHFFFAOYSA-N 422.457 -0.404 10 20 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O=C(CN1C(=O)CSC1=S)N1CCOC[C@]2(C1)CN(C(=O)C1CC1)CCO2 1840638808 LOLYNXFGYKFRIP-KRWDZBQOSA-N 413.521 -0.287 10 20 HBCD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1nccn1 1800247240 GSZCWDCFMUTJTK-ZSBIGDGJSA-N 408.509 -0.223 10 20 HBCD COC(OC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1831030144 YYPKULUWWCYPGG-GOSISDBHSA-N 411.411 -0.818 10 20 HBCD CCN(C)C(=O)CNC(=O)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 793717109 GOEGKEMBEIYZLX-OAHLLOKOSA-N 403.483 -0.401 10 20 HBCD NC(=O)NCC(=O)N1CCO[C@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785511629 PXNPPRODGWUNFA-GVTIMSHASA-N 420.422 -0.685 10 20 HBCD CC(=O)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1836419693 UNHYDCJHSJPSQY-LJQANCHMSA-N 422.438 -0.911 10 20 HBCD CN1CCN(S(=O)(=O)N2CCN(C(=O)c3c(F)ccc(O)c3O)CC2)CC1 789952853 KNCXZHSFPZSCOB-UHFFFAOYSA-N 402.448 -0.513 10 20 HBCD NC(=O)[C@H](N)CCC(=O)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1 1810543880 PSHBSGWRZQLOTQ-CQSZACIVSA-N 419.482 -0.070 10 20 HBCD CN1CCN(C(=O)CCNC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)CC1 787612468 YJTOVUSIAYJVGB-UHFFFAOYSA-N 417.510 -0.580 10 20 HBCD CN(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C[C@H](O)CN1CCOCC1 751485126 JPQQPJUCCKWUFX-SFHVURJKSA-N 424.517 -0.097 10 20 HBCD C[C@H](O)CN(C(=O)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H](C)CO 789840134 DXSVSSFNJCJSKJ-KBPBESRZSA-N 411.474 -0.007 10 20 HBCD C[C@H](CN)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1795512076 OKQSKPIGIPKAFS-BKEDOTJMSA-N 413.478 -0.036 10 20 HBCD CN1CC(=O)N(CC(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1=O 919019171 RBOOUVBINOYMRF-UHFFFAOYSA-N 422.413 -0.284 10 20 HBCD O=C1C=CC(=O)N1CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(O)nc(O)c1 1847950547 QMGNWSCRRDKSEO-STQMWFEESA-N 400.391 -0.377 10 20 HBCD COC(=O)C[C@@H]1C(=O)NCCN1C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 753996798 URZOELSTPADKOX-PKOBYXMFSA-N 420.510 -0.458 10 20 HBCD C[C@H]1C(=O)NCCN1C(=O)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 793723482 XAXZDWJZUNFNBA-ZFWWWQNUSA-N 401.467 -0.649 10 20 HBCD CN1C(=O)C(=CNNc2ccc(S(=O)(=O)N3CCCC3)cn2)C(=O)N(C)C1=O 914868174 LSQMAJWWWZDOPP-UHFFFAOYSA-N 408.440 -0.283 10 20 HBCD O=C(CN1C(=O)CSC1=S)N1CC[C@@]2(C1)CN(C(=O)c1ncon1)CCO2 1785539899 GKIUCQPASPBVOH-OAHLLOKOSA-N 411.465 -0.627 10 20 HBCD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2)C1CC(O)C1 1792896049 ANJSHRLDUBXLRJ-BRMJWIMXSA-N 413.521 -0.793 10 20 HBCD O=C(Cn1cnnn1)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816722841 YRQIQQZOFWKAAB-VIFPVBQESA-N 416.423 -0.138 10 20 HBCD CN1CCN(S(=O)(=O)N2CCN(Cc3cc4c(cc3O)OC[C@@H]4O)CC2)CC1 768440039 RFATYFOFSZFMPU-KRWDZBQOSA-N 412.512 -0.572 10 20 HBCD COC(=O)CCN(C)S(=O)(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 749287387 GSGHODISAYVOQG-UHFFFAOYSA-N 419.525 -0.249 10 20 HBCD COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)nc(O)c2)n(C)n1 1796136027 HMIXJIFEYXEROY-DPIQGUFMSA-N 417.422 -0.248 10 20 HBCD CS(=O)(=O)CCCS(=O)(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)O)c1 776507217 RTSQQKXISFYHAM-UHFFFAOYSA-N 414.483 -0.067 10 20 HBCD O=C(CSc1nc[nH]n1)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1784387991 HZUDLNFSFMBRQK-QGZVFWFLSA-N 420.451 -0.153 10 20 HBCD Cc1ccn(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)nc(O)c2)C3)n1 1794146373 LKWJBRHPJPJNLG-ZSBFGKGUSA-N 401.423 -0.099 10 20 HBCD COC(=O)C[C@H]1C(=O)NCCN1CC(=O)N1CCN(c2ccc(OC)cc2)CC1 35770652 LNSBFQCGFJJJQA-KRWDZBQOSA-N 404.467 -0.293 10 20 HBCD CN(C)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2C1 1792238802 XFOSTKYZMNJDHX-AVGNSLFASA-N 414.553 -0.612 10 20 HBCD C[C@@](O)(CC(=O)O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 1801003378 KXPGUEYIWWHHQL-MSSRQSJBSA-N 423.422 -0.688 10 20 HBCD Cn1nccc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1836417683 DPWYTBIFUVCTDY-LJQANCHMSA-N 417.422 -0.390 10 20 HBCD O=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2C(=O)CSC2=S)C1 1802107697 OETMGGYKBWJWFG-QHBPRCKVSA-N 411.505 -0.585 10 20 HBCD NCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1 1835547291 CVZFSKXKSDSCQJ-FQEVSTJZSA-N 415.450 -0.806 10 20 HBCD COCCN1C(=O)/C(=C/NNC2=NCC3=CNN(C(C)(C)C)C3=N2)C(=O)NC1=S 732305772 BOZZBQQVWFRVTL-PKNBQFBNSA-N 420.499 -0.875 10 20 HBCD CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2C(=O)CSC2=S)COC1 1802103926 IULGGEZSWUVPOH-GNXNZQSNSA-N 413.521 -0.527 10 20 HBCD CNC(=O)[C@H]1CN(C(=O)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CCO1 803305152 KKMXFTQSBDAQPF-RHSMWYFYSA-N 404.467 -0.326 10 20 HBCD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(O)[nH]3)C[C@@H]21)c1cc(O)nc(O)c1 1787293774 OJTBNOJCWNXYFJ-GAFUQQFSSA-N 403.395 -0.171 10 20 HBCD C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC(=O)N1C 793735114 XBXXJFHCRYMPMF-ZBFHGGJFSA-N 415.494 -0.306 10 20 HBCD CN(C)c1ccc2c(c1)OCCN2C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 470536612 LRDJMAAEYOJPOO-UHFFFAOYSA-N 407.452 -0.117 10 20 HBCD COCC(=O)N1CCN(C(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)CC1 788318861 IVEIJECXTWMWTR-UHFFFAOYSA-N 404.467 -0.543 10 20 HBCD Cn1cnc(C(=O)N2CCO[C@@]3(CCN(C(=O)CN4C(=O)CSC4=S)C3)C2)n1 1785537664 GNXRKBRNEFIGHK-MRXNPFEDSA-N 424.508 -0.881 10 20 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419.434 -0.219 10 20 HBCD C[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1840881461 ULWBACMSKWMXNK-JBBWMNLRSA-N 422.434 -0.346 10 20 HBCD Cc1ccc(C(=O)OCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c(O)c1O 727004804 URDDQZILOASMDI-ZDUSSCGKSA-N 412.464 -0.106 10 20 HBCD C[C@H](NC=O)C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)c3)CC2)CC1 1834987405 QRACAGKRSWPTIW-ZDUSSCGKSA-N 419.482 -0.188 10 20 HBCD O=C(CN1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1)N[C@@H]1CCS(=O)(=O)C1 779521130 WRDQPEOXXRYFBB-TXTHVTMNSA-N 423.491 -0.442 10 20 HBCD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C3CCN(S(N)(=O)=O)CC3)cc2)C1 918673824 SAFWPJZJAUYVON-MRXNPFEDSA-N 423.539 -0.080 10 20 HBCD C=CC(=O)N[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1779278424 MYTQDZQBYQGFIY-CWTRNNRKSA-N 404.423 -0.373 10 20 HBCD CC(=O)NC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)c1 1796136550 GWRBQFZUTVYPQT-YWVIFJGQSA-N 406.439 -0.389 10 20 HBCD C[C@H](Cn1cncn1)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1779217561 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COc1ccc(N2CCN(CCNC(=O)C(=O)NCCCNC(C)=O)CC2)cc1 803746882 IXIMUDHTRHCMCK-UHFFFAOYSA-N 405.499 -0.424 10 20 HBCD C[C@@H](CN)C(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785537937 DFRAQCJYGDZPNJ-ZBEGNZNMSA-N 400.526 -0.729 10 20 HBCD CC(=O)NCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1790872572 KQOOUDZJTYJRRO-QEJZJMRPSA-N 406.439 -0.388 10 20 HBCD CC[C@H](NC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1835910047 PUDSLWJVTKCJDX-IFXJQAMLSA-N 408.455 -0.439 10 20 HBCD CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)NCc1ccc(N2CCOCC2)cc1 788313816 VXTMKHVJBCSQKC-QGZVFWFLSA-N 424.523 -0.320 10 20 HBCD COc1ccc(N2CCN(CCNC(=O)C(=O)N(C[C@H](C)O)[C@H](C)CO)CC2)cc1 803747772 VEEJRUFVMWBVSQ-SJORKVTESA-N 422.526 -0.476 10 20 HBCD COc1ccc(N2CCN(CCNC(=O)C(=O)N[C@H](C)Cn3cncn3)CC2)cc1 803750780 ONRVPWRGLQCRRG-MRXNPFEDSA-N 415.498 -0.270 10 20 HBCD CCS(=O)(=O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 1793316649 REPVGXSXSVCEQZ-DRXBFXEBSA-N 413.452 -0.869 10 20 HBCD 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COc1ccc(N2CCN(CCNC(=O)C(=O)N(C[C@H](C)O)[C@@H](C)CO)CC2)cc1 803747771 VEEJRUFVMWBVSQ-IRXDYDNUSA-N 422.526 -0.476 10 20 HBCD CN1CCN(C)[C@@H](CNC(=O)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1 806058537 MPNZUSXFJDOYCS-IBGZPJMESA-N 403.527 -0.156 10 20 HBCD NC(=O)c1nccnc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)nc(O)c1)C2 1799039153 NJEMSAXUPFOTSW-ZSBIGDGJSA-N 412.406 -0.053 10 20 HBCD O=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)nc(O)c2)C3)CCN1 1801066409 ZWDUBYJVZICYLK-AKENFEQQSA-N 404.423 -0.778 10 20 HBCD COCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1840880555 VVSHUERRHAKLQN-HQMUEHRGSA-N 422.434 -0.081 10 20 HBCD CCC(=O)N[C@H](C)C(=O)N1CCCC12CN(C(=O)CN1C(=O)CSC1=S)C2 1841536947 JFONPHXOBLHXLG-LLVKDONJSA-N 412.537 -0.035 10 20 HBCD CCOC(=O)c1cnn2c(O)cc(COC(=O)Cn3[nH]cc4c(=O)ncnc3-4)nc12 730657623 RTFIIJTTWFWZEO-UHFFFAOYSA-N 413.350 -0.260 10 20 HBCD CNCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1835661567 WREVQVLWYCPQIN-LJQANCHMSA-N 408.455 -0.438 10 20 HBCD NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)CCO2 1836525939 FDOFFESOKASDIS-FQEVSTJZSA-N 415.450 -0.806 10 20 HBCD COc1ccc(N2CCN(C(=O)COC(=O)CN3C(=O)C(=O)N(C)C3=O)CC2)cc1 733564033 HHQKWARFODTVJA-UHFFFAOYSA-N 418.406 -0.692 10 20 HBCD COc1ccc(N2CCN(CCNS(=O)(=O)CCS(C)(=O)=O)CC2)cc1 742296275 VUUYBDNXASJONR-UHFFFAOYSA-N 405.542 -0.219 10 20 HBCD COc1ccc(N2CCN(CCNC(=O)C(=O)N(C[C@@H](C)O)[C@H](C)CO)CC2)cc1 803747770 VEEJRUFVMWBVSQ-IAGOWNOFSA-N 422.526 -0.476 10 20 HBCD CC(=O)NCC(=O)N1CC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1783150129 LGGVYOUKQAZAPZ-HQMUEHRGSA-N 419.434 -0.217 10 20 HBCD O=C(CN1CCOCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 1795439309 UMNRSHZFGWSVKZ-ZSBFGKGUSA-N 406.439 -0.972 10 20 HBCD C[C@@H](CC(N)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S 1804334547 PGPCGAKZYILKCH-YFKTTZPYSA-N 412.537 -0.004 10 20 HBCD O=C(c1cc(O)nc(O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)no1)CCO2 1838102993 VLNWEMZMHIKSDV-GOSISDBHSA-N 420.378 -0.430 10 20 HBCD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)c2ccc(O)nn2)C1 1842340854 UHJLYZSVEGSBOB-UHFFFAOYSA-N 407.477 -0.141 10 20 HBCD COC[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785539278 LOOTZEQVYXZTKJ-PXAZEXFGSA-N 415.537 -0.041 10 20 HBCD COc1ccc(N2CCN(C[C@@H](O)CN3CCN(CC(=O)N(C)C)CC3)CC2)cc1 754001850 YTAJKZFDQMKSPH-FQEVSTJZSA-N 419.570 -0.116 10 20 HBCD C[C@H](Cn1cncn1)NC(=O)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 793717130 HCEYCVZMEYJCNG-GDBMZVCRSA-N 413.482 -0.199 10 20 HBCD CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)CN1CCS(=O)(=O)CC1 1324120315 CXXVHJWAYKNOJA-ZDUSSCGKSA-N 400.453 -0.581 10 20 HBCD CC(=O)NCC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)c1 1796136129 RXLKXQAVGLQZJS-XOIINTDNSA-N 420.466 -0.142 10 20 HBCD C[C@@H](CN)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NN(c2ccccc2)C(=O)C1 1796480907 DBGOGBJUUMHUHT-ZTENYAIWSA-N 413.478 -0.036 10 20 HBCD O=C(COC(=O)C1CC(=O)NC(=O)C1)NCc1ccc(N2CCOCC2)c(F)c1 726818737 WDWNMGLSVQXYSO-UHFFFAOYSA-N 407.398 -0.126 10 20 HBCD COc1ccc(N2CCN(C(=O)CN(C)C[C@@H](O)CN3CCOCC3)CC2)cc1 751486460 VLLCLJCPXMHGPL-LJQANCHMSA-N 406.527 -0.031 10 20 HBCD COCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2C1 1792238507 IYNFLSDWHMEURC-SRVKXCTJSA-N 401.510 -0.527 10 20 HBCD Cc1nc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)nc(O)c2)C3)no1 1794056696 HJYGIBPLISPZHF-DPIQGUFMSA-N 403.395 -0.370 10 20 HBCD COc1ccc(N2CCN(C[C@H](O)CN3CCC(C(=O)NCCO)CC3)CC2)cc1 754016476 DKUVHRGWPVBZNY-HXUWFJFHSA-N 420.554 -0.001 10 20 HBCD COC(=O)COc1ccc(N(C)CC(=O)N2CCN(CC(=O)N(C)C)CC2)cc1 784566271 NVIRGLZXNLTHAJ-UHFFFAOYSA-N 406.483 -0.093 10 20 HBCD COC(=O)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2C1 1787295217 VYMZJXHDLALJPC-DRZSPHRISA-N 408.411 -0.558 10 20 HBCD Cc1cnn(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)nc(O)c2)c1 1796138264 ODTILVFRFOAHON-ZSBFGKGUSA-N 401.423 -0.099 10 20 HBCD O=C(c1cc(O)nc(O)c1)N1CC2(CCCN2C(=O)CNC(=O)C(F)(F)F)C1 1846399105 IPCRCAMKOVXVAB-UHFFFAOYSA-N 402.329 -0.012 10 20 HBCD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)c2cc[n+]([O-])cc2)C1 1844600105 PTTWBVQJQJPMQV-UHFFFAOYSA-N 406.489 -0.003 10 20 HBCD O=C(c1cc(O)nc(O)n1)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847054601 SSUBIQBSIWPSDI-UHFFFAOYSA-N 423.476 -0.435 10 20 HBCD C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1)n1ccnn1 1782757931 XXPQTXOIHFWFND-XIKOKIGWSA-N 402.411 -0.211 10 20 HBCD Cc1n[nH]cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2 1798662301 VFXXSBSECXZUTD-QHBPRCKVSA-N 423.520 -0.218 10 20 HBCD CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)C1 788310660 LGQUNHYOAVPOKI-QGZVFWFLSA-N 424.523 -0.320 10 20 HBCD O=C(c1cc(O)nc(O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)n[nH]1)CCO2 1835853885 FVYOPIVHAJBLAF-SFHVURJKSA-N 419.394 -0.695 10 20 HBCD O=C(c1cc(O)nc(O)c1)N1CCOC[C@@]2(C1)CN(C(=O)C1CC(O)C1)CCO2 1830579774 HTHHOZVVIRRUGJ-JWIMFUQQSA-N 407.423 -0.666 10 20 HBCD COCC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)nc(O)c4)C3)C2)CC1 1831374066 LTANBOQUCUCOFR-HXUWFJFHSA-N 421.450 -0.011 10 20 HBCD CN(C)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1836417209 FGZLGYYFSOIWQN-IBGZPJMESA-N 408.455 -0.486 10 20 HBCD COc1ccc(N2CCN(C[C@@H](O)CN3CCC4(CC3)NC(=O)NC4=O)CC2)cc1 754075334 NYAGKWOTYZIOHL-KRWDZBQOSA-N 417.510 -0.148 10 20 HBCD COc1c([N+](=O)[O-])ccc(CN[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1O 775011265 HWVBCFDTZONYND-TZMCWYRMSA-N 401.441 -0.104 10 20 HBCD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2)C(=O)C1CC1 1792901562 NDZTZPAAWYPVAD-GNXNZQSNSA-N 411.505 -0.585 10 20 HBCD CC(C)(O)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1835264493 ZKQROYKYSHAYTB-LJQANCHMSA-N 409.439 -0.276 10 20 HBCD O=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)nc(O)c4)C3)C2)C1 1840832456 YKMACYGGMBEBJN-IBGZPJMESA-N 405.407 -0.458 10 20 HBCD Cn1nccc1C(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785538389 ZQWIDXVHDMSULS-KRWDZBQOSA-N 423.520 -0.276 10 20 HBCD CC(=O)N(C)[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2C1 1787291046 AZVLYZYRBVAAQO-MZGVZZPPSA-N 420.466 -0.047 10 20 HBCD 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421.450 -0.011 10 20 HBCD CCN1CCN(CC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C(=O)C1=O 918673822 RXPOZPXSNSOSIH-MRXNPFEDSA-N 415.494 -0.305 10 20 HBCD CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)NCCCSc1nccs1 806279630 UOIMXIAJKVJWCB-ZDUSSCGKSA-N 402.542 -0.107 10 20 HBCD N=C(N)NCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782002836 XLUJLJRPCSZSQW-QGZVFWFLSA-N 411.846 -0.322 10 20 HBCD CN[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)C(=O)O 1786896644 DJODKVSIASNPMP-DEQVHRJGSA-N 422.438 -0.851 10 20 HBCD O=C(c1cc(O)nc(O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccon1)CCO2 1834486095 RAIUSCHCABIDLK-GOSISDBHSA-N 404.379 -0.135 10 20 HBCD O=C1NCCn2nc(C(=O)N3CCCC34CN(C(=O)c3cc(O)nc(O)c3)C4)cc21 1842563347 FHQPNSJLCJDDSR-UHFFFAOYSA-N 412.406 -0.437 10 20 HBCD CN(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C[C@@H](O)CN1CCOCC1 751485125 JPQQPJUCCKWUFX-GOSISDBHSA-N 424.517 -0.097 10 20 HBCD O=C(CN1C(=O)CSC1=S)N1CC[C@]2(C1)CN(C(=O)c1ccon1)CCO2 1785538219 LSALGOGFAMMUAH-INIZCTEOSA-N 410.477 -0.022 10 20 HBCD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccccc1=O)C2)c1cc(O)nc(O)c1 1796138316 UYJWZOPOGZBDDR-HBCWATKFSA-N 414.418 -0.442 10 20 HBCD CNS(=O)(=O)[C@@H]1CCN(C[C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)C1 754069512 GVMAMBAHBQECEW-IEBWSBKVSA-N 412.556 -0.198 10 20 HBCD C[C@H](NC=O)C(=O)N1CC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1781253728 UNFLPWMMYUJIGO-HBRHUWOESA-N 419.434 -0.219 10 20 HBCD C[C@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2C(=O)CSC2=S)C1 1783246243 XTWKEBOHQUHVOP-XWCIJXRUSA-N 415.537 -0.259 10 20 HBCD O=C(CN1C(=O)CSC1=S)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CC(O)C1)C2 1802105048 PIJWASXSGDWNBV-BRMJWIMXSA-N 413.521 -0.793 10 20 HBCD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(COCCN(C(=O)c3cc(O)n[nH]3)C2)C1 1836417349 NLOWTNXBELWNRV-GOSISDBHSA-N 419.394 -0.695 10 20 HBCD NC(=O)Cn1cc(C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)nn1 745470077 XOXYZYATPLXYPA-UHFFFAOYSA-N 420.401 -0.788 10 20 HBCD COC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1831623902 GNDDZPJGYGOWRL-YJYMSZOUSA-N 409.439 -0.155 10 20 HBCD CC1=CC(NC(=O)c2ccco2)=S=C1C(=O)NCCNS(=O)(=O)N(C)C 521941855 MSFIVHPGBRSTBX-UHFFFAOYSA-N 400.482 -0.483 10 20 HBCD O=C(CN1C(=O)CSC1=S)N1CCC([C@H]2CCCCN2C(=O)C(O)O)CC1 1824030774 MZJGCTVAZRQCQP-GFCCVEGCSA-N 415.537 -0.223 10 20 HBCD CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1O 787662554 PJVIMQVKQVFWBX-NXEZZACHSA-N 401.441 -0.050 10 20 HBCD CC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1836419541 LSSCADQHOYQXHM-BUXKBTBVSA-N 422.438 -0.913 10 20 HBCD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)c2ccc[n+]([O-])c2)C1 1842147869 PGWDJXXLYSAAOE-UHFFFAOYSA-N 406.489 -0.003 10 20 HBCD O=C(CN1C(=O)CSC1=S)N1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1 1778138521 YTCSFEIJYGVHDI-JKDFXYPNSA-N 413.521 -0.553 10 20 HBCD Nc1n[nH]c(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)nc(O)c2)n1 1796138798 VELSQUNWRCRSNC-CULMDFNYSA-N 417.426 -0.971 10 20 HBCD C[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1800749529 RPNFKHFDUFWVBU-FLTUCWPJSA-N 400.435 -0.250 10 20 HBCD CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)CC(=O)N(C)Cc1ccc(N(C)C)cc1 747671180 QOBMVWJEXXLQNV-INIZCTEOSA-N 410.540 -0.054 10 20 HBCD COC[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CCO1 793734168 QVNLTSSUJUKFDR-AEFFLSMTSA-N 418.494 -0.122 10 20 HBCD O=C(CN1CCOC1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 1793164905 WSQWCNWLPYLWJT-DRXBFXEBSA-N 406.395 -0.852 10 20 HBCD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CCN4C(=O)NC(=O)[C@@H]4C3)cc2)C1 760093983 BWIIZDQBYXXAFK-ZBFHGGJFSA-N 414.466 -0.166 10 20 HBCD C[C@@H](NC=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)c2)C1 1777852842 XOROKBWFGDCXDC-BBEGDGIKSA-N 406.439 -0.245 10 20 HBCD NCC(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1814186148 MBMHBDCKFNNXQL-LRDDRELGSA-N 407.521 -0.094 10 20 HBCD CCN(C)[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1836419389 FWKRTAKSGSZGAL-VLIAUNLRSA-N 422.482 -0.097 10 20 HBCD COC(=O)NCC(=O)N1CCCC12CN(C(=O)CN1C(=O)CSC1=S)C2 1846513395 HWNMSOFQMHUBOF-UHFFFAOYSA-N 400.482 -0.594 10 20 HBCD COc1cc(N2CCN(C(=O)c3cn(CC(N)=O)nn3)CC2)cc(OC)c1OC 1323858593 CMQIKSAEBDCNIA-UHFFFAOYSA-N 404.427 -0.248 10 20 HBCD CCOCC(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785538191 LEVLLCVOPXWYST-INIZCTEOSA-N 401.510 -0.287 10 20 HBCD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2)c1ncccn1 1794816461 RYNAUUDYNHTMNN-GNXNZQSNSA-N 421.504 -0.460 10 20 HBCD CC[C@@H](NC(C)=O)C(=O)N1CCCC12CN(C(=O)CN1C(=O)CSC1=S)C2 1841090431 UQTLCVMEYOTHLN-GFCCVEGCSA-N 412.537 -0.035 10 20 HBCD Cn1cc(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c(=O)n(C)c1=O 735037570 QUBNNIJAYCNYKW-UHFFFAOYSA-N 406.464 -0.751 10 20 HBCD CCN1CCN(c2ccc(CNC(=O)C(=O)NCCS(C)(=O)=O)cc2F)CC1 788390640 JDLSAWKBSAQXCZ-UHFFFAOYSA-N 414.503 -0.255 10 20 HBCD COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCCC(=O)NC(N)=O)CC2)cc1 778316516 JEUQVQIISKUXMR-SREVYHEPSA-N 403.439 -0.399 10 20 HBCD COc1ccc(N2CCN(C(=O)/C=C/C(=O)NC[C@H]3CC(C(N)=O)=NO3)CC2)cc1 793897189 NBEIWJVULBWJPP-FYCOFBDGSA-N 415.450 -0.354 10 20 HBCD CC[C@H](NC)C(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785538403 MZFKHWSGMAHSLZ-SJCJKPOMSA-N 414.553 -0.325 10 20 HBCD CC(=O)N(C)[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)c1 1796137292 BXMBKBGGJAPVQO-MJRMRKOOSA-N 406.439 -0.437 10 20 HBCD COC(=O)C1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)nc(O)c2)C3)CC1 1800554068 NAKVFEDASWFIMB-JJLQDPRZSA-N 405.407 -0.351 10 20 HBCD O=C(c1cn[nH]c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1836417253 IQBYHQQWONUPML-GOSISDBHSA-N 403.395 -0.400 10 20 HBCD CO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21 1791326356 RFPBANQDWZEGKF-CYDGBPFRSA-N 415.537 -0.139 10 20 HBCD CCNC(=O)N[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1778954988 PXYIKHTXGMILFN-BLVKFPJESA-N 421.454 -0.356 10 20 HBCD CN(C)c1ccc(CNC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)cc1 785428461 MTJUFFUWVIHYDY-UHFFFAOYSA-N 414.553 -0.136 10 20 HBCD CC(C)CNC(=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 1796464598 JSPYIBAIDRICJX-YWVIFJGQSA-N 406.439 -0.532 10 20 HBCD O=C(c1cc(O)nc(O)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCOC1)CCO2 1840535112 DUBYKCRWKDIDCV-BFUOFWGJSA-N 407.423 -0.401 10 20 HBCD CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(O)nc(O)c1 1847784963 NJXWEERMZZTDNU-DRZSPHRISA-N 412.468 -0.364 10 20 HBCD C[C@H](C[S@@](C)=O)NC(=O)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 793734400 TYFBULCQVHFZME-YCYNLCBSSA-N 408.524 -0.112 10 20 HBCD O=C(CN1C(=O)CSC1=S)N1CC[C@@]2(C1)CN(C(=O)c1cnc[nH]1)CCO2 1785538377 YQVVVFJKLXVPBL-MRXNPFEDSA-N 409.493 -0.287 10 20 HBCD CN1CCN(C)[C@@H](CNC(=O)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 789814280 ZWDGFJBMIMVZFX-INIZCTEOSA-N 407.490 -0.360 10 20 HBCD C[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1 1783518829 GQLCPVWQSZBYSS-VBKZILBWSA-N 400.435 -0.010 10 20 HBCD C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1)n1cnnn1 1784595271 LGWKOMRCQLIFLP-APPDUMDISA-N 403.399 -0.816 10 20 HBCD Cn1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)nc(O)c2)C3)n1 1795809939 UJNKABWQHPWSEQ-IVWMJMPLSA-N 401.423 -0.328 10 20 HBCD N=C(N)NCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1=NN(c2ccccc2)C(=O)C1 1796932021 ZSNAXQDPZZCFTQ-YOWGUQMCSA-N 411.466 -0.099 10 20 HBCD C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C[C@@H](CO)O1 793716635 DGDAFTXLPDOZTH-KYJSFNMBSA-N 418.494 -0.387 10 20 HBCD O=C(Cn1ccnc1)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1834383478 AZIDYAFXBCDPQM-IBGZPJMESA-N 417.422 -0.541 10 20 HBCD COC(=O)C1(C(=O)N2CC[C@@]3(CN(C(=O)c4cc(O)nc(O)c4)CCO3)C2)CC1 1783214263 ROCDTJKRTRCRIM-GOSISDBHSA-N 405.407 -0.111 10 20 HBCD O=C(O)CSCC(=O)N1CCCC12CN(C(=O)CN1C(=O)CSC1=S)C2 1846392241 WJWCEDFPHSTCGN-UHFFFAOYSA-N 417.534 -0.132 10 20 HBCD O=C(Cn1cccn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1787101392 VATCWIHVECOEHW-QEJZJMRPSA-N 401.423 -0.017 10 20 HBCD Cn1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)nc(O)c2)n1 1796138290 SKUOZJWFUOLQBN-IVWMJMPLSA-N 401.423 -0.328 10 20 HBCD O=C(CN1C(=O)CNC1=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1 1796598764 FXLQDFCZKCEQGI-ZSBIGDGJSA-N 403.395 -0.704 10 20 HBCD O=C(c1cc(O)nc(O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cccnn1)CCO2 1837871864 XQRPOBWHDPGGDT-IBGZPJMESA-N 415.406 -0.333 10 20 HBCD COc1ccc(N2CCC(NC(=O)C(=O)N3CC[C@@H](S(N)(=O)=O)C3)CC2)cc1 804317124 SJBOKUYVFHIMOU-MRXNPFEDSA-N 410.496 -0.330 10 20 HBCD CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)CN1CCN(CC)C(=O)C1=O 1320392831 AWOFYCZOMBLWIC-ZDUSSCGKSA-N 407.423 -0.621 10 20 HBCD COc1ccc(N2CCN(CCNC(=O)C(=O)N3CC(=O)N(C)[C@@H](C)C3)CC2)cc1 803747381 PLQHQRCYVTYJED-INIZCTEOSA-N 417.510 -0.378 10 20 HBCD C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1)n1cnnn1 1784595276 LGWKOMRCQLIFLP-GTNSWQLSSA-N 403.399 -0.816 10 20 HBCD O=C(CN1CCCC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1786731807 HANNJXKVMFXLSS-QEJZJMRPSA-N 418.450 -0.292 10 20 HBCD NC(=O)NCC(=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1814225061 WSJIHCQLUOBXNJ-PXAZEXFGSA-N 414.422 -0.124 10 20 HBCD COC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1831623901 GNDDZPJGYGOWRL-ORAYPTAESA-N 409.439 -0.155 10 20 HBCD O=C(c1cc(O)nc(O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1csnn1)CCO2 1831745935 LVJOXZBZKIFMBL-QGZVFWFLSA-N 421.435 -0.272 10 20 HBCD O=C(Cn1ccnc1)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1834383518 AZIDYAFXBCDPQM-LJQANCHMSA-N 417.422 -0.541 10 20 HBCD O=C(c1cc(O)ncn1)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847056809 PYCICOFLKRLDHI-UHFFFAOYSA-N 407.477 -0.141 10 20 HBCD O=C1CCCN1CC(=O)N1CCCC12CN(C(=O)CN1C(=O)CSC1=S)C2 1842832497 CMAVAQKSAYFVCQ-UHFFFAOYSA-N 410.521 -0.328 10 20 HBCD COCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1830479431 UZIOTHQQAKAAKI-IBGZPJMESA-N 409.439 -0.011 10 20 HBCD O=C(c1cc(O)nc(O)c1)N1CC2(CCCN2C(=O)CN2CCS(=O)(=O)CC2)C1 1841893977 ZJTBAWKSGKFKFZ-UHFFFAOYSA-N 424.479 -0.960 10 20 HBCD CC(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1830013647 FBGXRJWLVSUHLG-IBGZPJMESA-N 409.439 -0.012 10 20 HBCD C[C@H](NC=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)c2)C1 1777852845 XOROKBWFGDCXDC-BBEJJTJUSA-N 406.439 -0.245 10 20 HBCD CC(=O)N(C)[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 1796452926 PXCYIJJADYAOCS-MJRMRKOOSA-N 406.439 -0.437 10 20 HBCD O=C1C[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CSC2=S)CN1 1804336336 QAOULQPTOBADGA-YFKTTZPYSA-N 410.521 -0.379 10 20 HBCD NCC(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1814186150 MBMHBDCKFNNXQL-MLGOLLRUSA-N 407.521 -0.094 10 20 HBCD NCC(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1840880404 NCIAAPDKDJWDEQ-GVTIMSHASA-N 407.423 -0.768 10 20 HBCD COc1ccc(N2CCN(CCNC(=O)C(=O)N3C[C@@H](C)O[C@@H](CO)C3)CC2)cc1 803747814 UTGKONCXHVCQSG-VQIMIIECSA-N 420.510 -0.458 10 20 HBCD CCOCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)CSC1=S 1802104495 QSZYVIJYVQTHGK-QHBPRCKVSA-N 401.510 -0.527 10 20 HBCD NC(=O)CC[C@H](N)C(=O)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)c3)C2)CC1 1810543499 GKMXJRAIZXJMSL-AWEZNQCLSA-N 419.482 -0.070 10 20 HBCD COCC(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1840880554 VVSHUERRHAKLQN-GECPCNCSSA-N 422.434 -0.081 10 20 HBCD COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCCC(=O)NC(N)=O)CC2)cc1 778316530 JEUQVQIISKUXMR-VOTSOKGWSA-N 403.439 -0.399 10 20 HBCD O=C1C[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)nc(O)c4)[C@H]3C2)CCN1 1787295196 UTAQGHFCIOCIEZ-DHMWGJHJSA-N 418.450 -0.388 10 20 HBCD CCOC(=O)[C@H](CO)NC(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1 782757578 DHLSERFWLUYYOU-IJDCCNJMSA-N 405.451 -0.060 10 20 HBCD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2C1)n1ccnn1 1787294489 UBBNRQMNXWRFHI-JURCDPSOSA-N 416.438 -0.061 10 20 HBCD C[C@H](NC=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1ccc(O)c(O)c1O 1802079625 NGQGSVGXECZQMK-CLZVMLKASA-N 419.434 -0.459 10 20 HBCD O=C(Cn1ccnc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1836417719 HLUMVNHANUOQNS-LJQANCHMSA-N 417.422 -0.541 10 20 HBCD COc1ccc(N2CCN(CCCNC(=O)c3cn(CC(N)=O)nn3)CC2)cc1 742491577 NEKQOXGHXNISBR-UHFFFAOYSA-N 401.471 -0.286 10 20 HBCD CC(=O)NC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 1793373777 QDGQOJYYBGASHZ-YWVIFJGQSA-N 406.439 -0.389 10 20 HBCD O=C(c1ccnnc1O)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847055334 HWMFQHWLLQBAAA-UHFFFAOYSA-N 407.477 -0.141 10 20 HBCD Nc1n[nH]c(CCC(=O)N2CC[C@]3(C2)CN(C(=O)c2cc(O)nc(O)c2)CCO3)n1 1778849781 ZUYBJYSJYFIEKO-SFHVURJKSA-N 417.426 -0.731 10 20 HBCD CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)cn1 768702046 MMCRBCICCDMTEX-UHFFFAOYSA-N 415.498 -0.118 10 20 HBCD COCCN1C(=O)/C(=C\NNC2=NCC3=CNN(C(C)(C)C)C3=N2)C(=O)NC1=S 732305769 BOZZBQQVWFRVTL-LUAWRHEFSA-N 420.499 -0.875 10 20 HBCD COc1cc(N2CCN(C(=O)C(=O)NCC[S@@](C)=O)CC2)cc(OC)c1OC 804999623 HDZOOHYJKHDPKF-MUUNZHRXSA-N 413.496 -0.144 10 20 HBCD COc1ccc(C(=O)NC2=S=C(C(=O)N[C@H]3CS(=O)(=O)C[C@H]3OC)C=C2)cc1 1532040208 XOXYBWTVDJGZBD-UONOGXRCSA-N 424.500 -0.042 10 20 HBCD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(=O)n1O)C2)c1cc(O)nc(O)c1 1796136147 UOLCUFUOTRMYKB-DPIQGUFMSA-N 416.390 -0.591 10 20 HBCD NC[C@H](N)C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)c3)CC2)CC1 1838031383 BIEYEZUFBXMEAZ-HNNXBMFYSA-N 407.471 -0.609 10 20 HBCD C[C@H]1CN(c2ccc(CNC(=O)C(=O)N3CCO[C@@H](C(N)=O)C3)cc2F)C[C@@H](C)O1 789816319 CVXHCWMIAXMPGV-IIYDPXPESA-N 422.457 -0.232 10 20 HBCD COc1ccc(N2CCN(CCNC(=O)C(=O)NCc3nonc3C)CC2)cc1 803750677 NHBLZQQSPQNCMR-UHFFFAOYSA-N 402.455 -0.059 10 20 HBCD O=C(CN1C(=O)CSC1=S)N1CCO[C@]2(CCN(C(=O)C3=COCC3)C2)C1 1784770459 UTWRRSKYNHYBTH-QGZVFWFLSA-N 411.505 -0.019 10 20 HBCD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CCn3ccnn3)C[C@@H]21)c1cc(O)nc(O)c1 1787295123 MPNZYZUCXUKYIC-QEJZJMRPSA-N 416.438 -0.232 10 20 HBCD O=C(CCN1CCOC1=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1778160127 GCNCLCOIJBDADX-LJQANCHMSA-N 420.422 -0.221 10 20 HBCD Cn1ccnc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)CSC1=S 1802104436 LGZSHTVNSCYMTM-GNXNZQSNSA-N 423.520 -0.516 10 20 HBCD COc1ccc(C(=O)NC2=S=C(C(=O)NC[C@@H]3CS(=O)(=O)CCO3)C=C2)cc1 509653128 PSDVFANFMNSYHV-CQSZACIVSA-N 424.500 -0.040 10 20 HBCD O=C(CN1CCN2C(=O)NC(=O)[C@H]2C1)NCc1ccc(N2CCOCC2)c(F)c1 778953257 LTPYPOBWGQGLLO-MRXNPFEDSA-N 405.430 -0.486 10 20 HBCD CN[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21)C(=O)O 1786896647 DJODKVSIASNPMP-PYJNHQTQSA-N 422.438 -0.851 10 20 HBCD Cc1nc[nH]c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)CSC1=S 1802103901 IBGKNUVNEJQXFG-QHBPRCKVSA-N 423.520 -0.218 10 20 HBCD Cn1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)nc(O)c4)C3)C2)cn1 1834170511 MTTBGGYAIJYMLN-IBGZPJMESA-N 417.422 -0.390 10 20 HBCD O=C(CNC(=O)C(F)(F)F)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843250895 AKTRRJUXHSFGIM-UHFFFAOYSA-N 402.329 -0.012 10 20 HBCD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)C(O)O 1814713465 IEKXXLPMIRMXSE-VIFPVBQESA-N 413.481 -0.427 10 20 HBCD O=C(CN1C(=O)CSC1=S)N1CC[C@]2(C1)CN(C(=O)c1ncc[nH]1)CCO2 1785537796 KFOYTXQBBGJDRI-INIZCTEOSA-N 409.493 -0.287 10 20 HBCD N=C1NCCN1CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)CSC1=S)C2 1796026281 BBJJVEOHWRGZNE-ZSBIGDGJSA-N 424.552 -0.675 10 20 HBCD Cn1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)nc(O)c2)C3)c1=O 1793546717 CDWJGOBDHPNTIJ-FVCICTRLSA-N 414.418 -0.292 10 20 HBCD COCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1834977617 QKTOKATVAVDPEU-HQMUEHRGSA-N 422.434 -0.081 10 20 HBCD NC(=O)NCC(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)c3)CC2)CC1 1834988228 BGROYMUGAGYKFL-UHFFFAOYSA-N 420.470 -0.654 10 20 HBCD CC(=O)N/C(C)=C/C(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1782623295 IQEKUXHJPHRXAI-UBIUBJKMSA-N 404.423 -0.024 10 20 HBCD C[C@H](CC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2C1 1787290498 VUXIKQPBJIGOEE-XWUBHJNHSA-N 406.439 -0.402 10 20 HBCD O=C(CN1C(=O)CSC1=S)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cocn1)C2 1802104468 PBAAPDHMWKZNNZ-WDAIWFPHSA-N 410.477 -0.262 10 20 HBCD COC(=O)C[C@@H]1C(=O)NCCN1CC(=O)N1CCN(c2ccc(OC)cc2)CC1 35770654 LNSBFQCGFJJJQA-QGZVFWFLSA-N 404.467 -0.293 10 20 HBCD CCOC(=O)N1CCN(S(=O)(=O)Nc2ccc(O)c(S(=O)(=O)NC)c2)CC1 790407730 OWAIHUUIENYHKM-UHFFFAOYSA-N 422.485 -0.269 10 20 HBCD CC[S@@](=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 1797605010 LUCYQWZOWJCGOJ-MKKRCKTQSA-N 411.480 -0.145 10 20 HBCD CN(C)c1ccc(CNC(=O)CN[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1 735493947 TXLZKKLVKBCNOC-ZWKOTPCHSA-N 410.540 -0.544 10 20 HBCD CN(C)c1ccc(CNC(=O)CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1 795460169 XVDMJYKWIARPOI-UHFFFAOYSA-N 417.510 -0.628 10 20 HBCD CC[C@H](NC)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785538405 MZFKHWSGMAHSLZ-YVEFUNNKSA-N 414.553 -0.325 10 20 HBCD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(CO)on1)C2)c1cc(O)nc(O)c1 1796139600 IHBMRTHFFLQQJR-CULMDFNYSA-N 404.379 -0.510 10 20 HBCD C[C@H]1CN(C(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC(=O)N1C 793735113 XBXXJFHCRYMPMF-HOCLYGCPSA-N 415.494 -0.306 10 20 HBCD CC(=O)NCC(=O)N1CC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1783150111 LGGVYOUKQAZAPZ-GECPCNCSSA-N 419.434 -0.217 10 20 HBCD O=C(c1cc(O)nc(O)c1)N1CCOC[C@]2(C1)CN(C(=O)C1CC(O)C1)CCO2 1830579772 HTHHOZVVIRRUGJ-JSORRYRYSA-N 407.423 -0.666 10 20 HBCD COC(OC)C(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785539782 PCUNULMYZNCSQU-INIZCTEOSA-N 417.509 -0.705 10 20 HBCD Cc1n[nH]cc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1838680497 VHUYYGAAMOIAEZ-IBGZPJMESA-N 417.422 -0.092 10 20 HBCD COc1ccc(N2CCN(C(=O)COC(=O)Cn3ccc(=O)[nH]c3=O)CC2)cc1 7190890 BGTDKWVDQZSDIZ-UHFFFAOYSA-N 402.407 -0.563 10 20 HBCD CN(C)c1ccc(CNC(=O)CN[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1 735493945 TXLZKKLVKBCNOC-ROUUACIJSA-N 410.540 -0.544 10 20 HBCD NCC(=O)N1CCC(OC2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1837840383 RDHDEPDLTOTRJX-UHFFFAOYSA-N 414.553 -0.196 10 20 HBCD CCCNC(=O)CN(C)C(=O)COC(=O)c1cc(NS(C)(=O)=O)ccc1O 920636761 IYYKDYNFUNQLIR-UHFFFAOYSA-N 401.441 -0.095 10 20 HBCD Nc1n[nH]c(CCC(=O)N2CCCC23CN(C(=O)CN2C(=O)CSC2=S)C3)n1 1844184959 HVHSYUFBZDNGMV-UHFFFAOYSA-N 423.524 -0.617 10 20 HBCD CN(C)C(=O)NCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1C(=O)CSC1=S 1847344517 PRGJFOKNKUGDQS-QWRGUYRKSA-N 413.525 -0.680 10 20 HBCD CCN(CC(=O)NCc1ccc(N(C)C)cc1)CC(=O)N[C@H]1CCS(=O)(=O)C1 727238566 FSOCKLJIZDKEHT-INIZCTEOSA-N 410.540 -0.006 10 20 HBCD Cn1cccc1C(=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)c1 1796140100 BWOLMZWZMYNZOM-FVCICTRLSA-N 414.418 -0.083 10 20 HBCD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)c2cc(CO)on2)C1 1844822105 KPPCQSUAEROKFC-UHFFFAOYSA-N 410.477 -0.156 10 20 HBCD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(CCN(C(=O)c3ccnnc3O)C2)C1 1779915822 OCAMLIZMLSYUKW-GOSISDBHSA-N 401.379 -0.254 10 20 HBCD N[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1ccccn1 1795610440 JJPPXZLIWRTJIT-JGTCGTHISA-N 413.434 -0.209 10 20 HBCD O=C1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)nc(O)c2)CN1 1796137095 WCHUFLWHARYFGQ-AKENFEQQSA-N 404.423 -0.778 10 20 HBCD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(COCCN(C(=O)c3ccno3)C2)C1 1836417716 HGLJLTOCQNRXPV-GOSISDBHSA-N 404.379 -0.135 10 20 HBCD Cn1nc(C(=O)N2CC3(CCCN3C(=O)CN3C(=O)CSC3=S)C2)cc1O 1847055575 IQSBMYOZIMZRMB-UHFFFAOYSA-N 409.493 -0.197 10 20 HBCD CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 807291824 OWCIVXQROQNERZ-LJQANCHMSA-N 402.495 -0.170 10 20 HBCD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1cc(CO)on1 1798732248 BGICVOWFGJCZJR-CULMDFNYSA-N 404.379 -0.510 10 20 HBCD O=C(Cn1cnnn1)N[C@@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816722840 YRQIQQZOFWKAAB-SECBINFHSA-N 416.423 -0.138 10 20 HBCD C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C[C@H](CO)O1 793716639 DGDAFTXLPDOZTH-UWWQBHOKSA-N 418.494 -0.387 10 20 HBCD O=C(CN1C(=O)CSC1=S)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncc[nH]1)C2 1802104479 QBOUELPLVHEGDZ-DDFAGTSDSA-N 409.493 -0.527 10 20 HBCD COc1ccc(N2CCN(CCNC(=O)Cn3ncn4nccc4c3=O)CC2)cc1 732757812 XWRISLNVMZJLJX-UHFFFAOYSA-N 411.466 -0.162 10 20 HBCD C[C@](O)(CC(=O)O)CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1783924147 KCQVNMVIMOXBJH-RTBURBONSA-N 423.422 -0.448 10 20 HBCD CCOC(=O)c1cnn2c(O)cc(CN3CCC[C@H](CNS(N)(=O)=O)C3)nc12 726882264 KDVHTYHWRMTIDL-LLVKDONJSA-N 412.472 -0.383 10 20 HBCD COc1ccc(C(=O)NC2=S=C(C(=O)NC[C@]3(O)CCS(=O)(=O)C3)C=C2)cc1 1627707896 ZJNNDDFBKQFVIH-GOSISDBHSA-N 424.500 -0.304 10 20 HBCD C/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1839817561 XWQXURAMDARHCF-RCAFFNEUSA-N 413.521 -0.121 10 20 HBCD NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 789798933 KGQWXIIGPMOYEZ-CYBMUJFWSA-N 414.459 -0.832 10 20 HBCD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(COCCN(C(=O)c3ncccn3)C2)C1 1836417794 MUPVRPPYJPYODG-IBGZPJMESA-N 415.406 -0.333 10 20 HBCD COC[C@H](NC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)nc(O)c1)C2 1798636016 CPXLUGKYVXZREE-XGUBFFRZSA-N 406.439 -0.104 10 20 HBCD CCCCn1c(N)c(N(C)C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)c(=O)[nH]c1=O 104889933 NAFROLUHUOVXFB-UHFFFAOYSA-N 422.467 -0.621 10 20 HBCD O=C(CN1C(=O)CSC1=S)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc[nH]n1)C2 1802104759 GXWQNQAOVQOBAU-WDAIWFPHSA-N 409.493 -0.527 10 20 HBCD C[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)n1cnnn1 1804340347 KRKBDBVQEQQNAC-WISYIIOYSA-N 423.524 -0.267 10 20 HBCD 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408.455 -0.439 10 20 HBCD CCOC(=O)c1cnn2c(O)cc(CN3CCC(NS(=O)(=O)NC)CC3)nc12 798194143 ZJULLFAZAWRLKO-UHFFFAOYSA-N 412.472 -0.370 10 20 HBCD CCOC(=O)N[C@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1 1796600727 GVMLSSIYTRTBJL-AZKPJATDSA-N 408.411 -0.191 10 20 HBCD COCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1830479433 UZIOTHQQAKAAKI-LJQANCHMSA-N 409.439 -0.011 10 20 HBCD COCC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)nc(O)c4)C3)C2)CC1 1831374062 LTANBOQUCUCOFR-FQEVSTJZSA-N 421.450 -0.011 10 20 HBCD CC(=O)N1CCN(C(=O)CCNC(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 730841923 ROTPRUPKHWCXGB-UHFFFAOYSA-N 412.468 -0.426 10 20 HBCD COCCOCC(=O)N1CCCC12CN(C(=O)CN1C(=O)CSC1=S)C2 1842777550 CDMHGPLGSVLWOA-UHFFFAOYSA-N 401.510 -0.287 10 20 HBCD O=C(COC(=O)CN1C(=O)CCC1=O)NCc1ccc(N2CCOCC2)c(F)c1 918842407 QSYNFZVEVJBBDD-UHFFFAOYSA-N 407.398 -0.029 10 20 HBCD Cn1ncnc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S 1804331367 VNIJKRUZVSOXFQ-JGPRNRPPSA-N 408.509 -0.073 10 20 HBCD CN(C)C(=O)NCC(=O)N1CCCC12CN(C(=O)CN1C(=O)CSC1=S)C2 1841136104 HDIXMVPCJTXWQO-UHFFFAOYSA-N 413.525 -0.679 10 20 HBCD O=C1COc2cc([N+](=O)[O-])c(N3CCN(C(=O)C(=O)N4CCOCC4)CC3)cc2N1 757508454 IXZVITRLBZLDSO-UHFFFAOYSA-N 419.394 -0.567 10 20 HBCD COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCCN3C(=O)CNC3=O)CC2)cc1 778275607 LKEBTTYIVMYSCU-VOTSOKGWSA-N 415.450 -0.432 10 20 HBCD COc1ccc(N2CCN(C(=O)/C=C\C(=O)N(C)CCNS(C)(=O)=O)CC2)cc1 1337365190 JECJEUMSJVSMNK-HJWRWDBZSA-N 424.523 -0.092 10 20 HBCD CC1(C(=O)N2CCO[C@]3(CCN(C(=O)CN4C(=O)CSC4=S)C3)C2)COC1 1785539056 GLEHPEGPBQTSNF-KRWDZBQOSA-N 413.521 -0.287 10 20 HBCD O=C(CN1C(=O)CSC1=S)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@H]1F)C2 1802107892 WUDLTLBTUHTRPV-DMIRSCGOSA-N 401.485 -0.206 10 20 HBCD NC[C@H](N)C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807993355 IKTKZQLZYHFQPP-IFIJOSMWSA-N 400.439 -0.507 10 20 HBCD CC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1834867577 JXJPPJZXAJXUHV-LJQANCHMSA-N 407.423 -0.068 10 20 HBCD COCCNC(=O)Cn1cc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)cn1 762408788 MEALQTHGOIIUCF-UHFFFAOYSA-N 402.455 -0.033 10 20 HBCD COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCN(CC(N)=O)CC3)CC2)cc1 778245669 WVJXCCXCDPWVOI-SREVYHEPSA-N 415.494 -0.471 10 20 HBCD C[C@H]1CN(C(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC(=O)N1C 793735112 XBXXJFHCRYMPMF-GOEBONIOSA-N 415.494 -0.306 10 20 HBCD Cn1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(O)nc(O)c4)CCO3)C2)n1 1836418060 XFMBGMLRSGPJFH-LJQANCHMSA-N 417.422 -0.390 10 20 HBCD COc1ccc(N2CCN(C(=O)COC(=O)CC[C@H]3NC(=O)NC3=O)CC2)cc1 916655636 IEHJWUXFWAKWBQ-OAHLLOKOSA-N 404.423 -0.125 10 20 HBCD COc1ccc(N2CCN(C[C@@H](O)CN3CCC[C@@H](S(N)(=O)=O)C3)CC2)cc1 754106676 GFUJBNLASHYNBO-IEBWSBKVSA-N 412.556 -0.069 10 20 HBCD COc1ccc(N2CCN(CCCNC(=O)C(=O)NCC(=O)N(C)C)CC2)cc1 782198350 VXGRWPWSQGZXRY-UHFFFAOYSA-N 405.499 -0.472 10 20 HBCD CO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)CSC1=S 1802106582 CUXUDHATOVAVJP-NJBDSQKTSA-N 401.510 -0.529 10 20 HBCD CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)NCCCSc1nccs1 806279629 UOIMXIAJKVJWCB-CYBMUJFWSA-N 402.542 -0.107 10 20 HBCD COC(=O)NCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)nc(O)c1)C2 1782396415 DWIHXRVJUYAIHS-BFUOFWGJSA-N 422.438 -0.024 10 20 HBCD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(COCCN(C(=O)c3cnc[nH]3)C2)C1 1836417934 PQQNWALNTOKJFX-SFHVURJKSA-N 403.395 -0.400 10 20 HBCD COc1ccc(N2CCN(C(=O)CNS(=O)(=O)c3c[nH]c(C(N)=O)c3)CC2)cc1 746093715 LKMLTDULPMPDPD-UHFFFAOYSA-N 421.479 -0.251 10 20 HBCD NC(=O)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1785630319 RVRADTBNGDDTCQ-QGZVFWFLSA-N 412.830 -0.137 10 20 HBCD C[C@@]1(C(N)=O)CCN(C(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1 793717053 DHFJMOHEEZAWOL-QVKFZJNVSA-N 415.494 -0.272 10 20 HBCD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)N3CCC4(C3)OCCO4)cc2)C1 793734197 RHNYQDVOYVXYCU-MRXNPFEDSA-N 416.478 -0.020 10 20 HBCD COc1ccc(C(=O)NC2=S=C(C(=O)N[C@@H]3CS(=O)(=O)C[C@@H]3OC)C=C2)cc1 1532040207 XOXYBWTVDJGZBD-KGLIPLIRSA-N 424.500 -0.042 10 20 HBCD CC(=O)c1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)nc(O)c2)C3)n[nH]1 1794559069 KMICUEIAJVNKGD-DPIQGUFMSA-N 415.406 -0.065 10 20 HBCD NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CC[C@@H](S(N)(=O)=O)C3)cc2)C1 770299803 MPDNPYFYBVWSNW-GDBMZVCRSA-N 409.512 -0.039 10 20 HBCD C[C@@H](NC=O)C(=O)N1CC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1781253729 UNFLPWMMYUJIGO-IAYHDBKASA-N 419.434 -0.219 10 20 HBCD CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@@H](NC(=O)C3CC3)[C@@H](C)O)nc12 745739985 LRXOAQIDHZZKLJ-OTYXRUKQSA-N 406.395 -0.070 10 20 HBCD O=C(COCCO)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2 1799338565 JEKZUIZDPBIACV-DRXBFXEBSA-N 414.842 -0.037 10 20 HBCD COc1ccc(N2CCN(C(=O)/C=C\C(=O)NN3CC(=O)N(C)C3=O)CC2)cc1 779541634 OPNPECUITYYDJQ-FPLPWBNLSA-N 401.423 -0.175 10 20 HBCD CN1CCN(C(=O)CCNC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)CC1 787612292 XANOUQHQHRXRQM-UHFFFAOYSA-N 401.511 -0.035 10 20 HBCD CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCS(=O)(=O)N2CCSCC2)c1 730591455 LFOFPXGMMWCDOK-UHFFFAOYSA-N 423.538 -0.128 10 20 HBCD COc1ccc(N2CCN(C(=O)CN3C(=O)N(CC(N)=O)C(C)(C)C3=O)CC2)cc1 735793437 YTWYEXIMCDVBBO-UHFFFAOYSA-N 417.466 -0.128 10 20 HBCD CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)N(C)Cc2ccccc2O)cn1 768717357 QMZYIEJAGLINCT-UHFFFAOYSA-N 402.455 -0.136 10 20 HBCD CNS(=O)(=O)Nc1ccc(NS(=O)(=O)CCCS(=O)(=O)N(C)C)cc1 811700139 FSYGEDNMDHPMEX-UHFFFAOYSA-N 414.531 -0.414 10 20 HBCD CC[C@@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 1792533844 CFNDJLKOPGXTQA-UMPJEAMMSA-N 406.439 -0.389 10 20 HBCD O=C(CN1C(=O)CSC1=S)N1CC[C@@]2(C1)CN(C(=O)c1ncc[nH]1)CCO2 1785537803 KFOYTXQBBGJDRI-MRXNPFEDSA-N 409.493 -0.287 10 20 HBCD C[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21 1791054905 XHSWCQAPVYLLJL-BJDJZHNGSA-N 401.510 -0.793 10 20 HBCD CCOC(=O)/C=C/C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)c1 1796137741 SYXYOBNNLYAGRG-SHXSXUFKSA-N 405.407 -0.185 10 20 HBCD C[C@@H](C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1)N1CCN(C)CC1 1843250573 NDQJTZWIMKMWQO-AWEZNQCLSA-N 403.483 -0.054 10 20 HBCD C[C@H](O)C(=O)N1CCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 766268463 REDKMEUCMVWMPT-HNNXBMFYSA-N 408.474 -0.197 10 20 HBCD CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCNS(=O)(=O)Cc1ccon1 809011894 JSTBIPBRPWKOQW-UHFFFAOYSA-N 423.495 -0.065 10 20 HBCD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2)c1ccnnc1 1794673168 SDEUZODAIJMPMI-JJLQDPRZSA-N 421.504 -0.460 10 20 HBCD O=C(c1cc(O)nc(O)c1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCO3)C2)C1 1836419571 MQELXXMBXAOGIK-LIRRHRJNSA-N 407.423 -0.258 10 20 HBCD CN1C(=O)CC[C@H]1C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847054785 PDHGMXCQYXSMHE-NSHDSACASA-N 410.521 -0.329 10 20 HBCD Cn1cccc1C(=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 1801442465 BRDXMUGIBWEJJH-FVCICTRLSA-N 414.418 -0.083 10 20 HBCD CC(=O)NC[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)CCO1 788313360 RMXQXPDNVUMAQB-GOSISDBHSA-N 404.467 -0.497 10 20 HBCD C[C@H](Cn1cncn1)NC(=O)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 793717133 HCEYCVZMEYJCNG-ZBFHGGJFSA-N 413.482 -0.199 10 20 HBCD COc1ccc(N2CCN(CCNC(=O)C(=O)NCCn3cccn3)CC2)cc1 793745051 JHUAYRDOVSJJCY-UHFFFAOYSA-N 400.483 -0.054 10 20 HBCD CSCC[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 1801027973 PNJXSHAMHLRIAP-OQMKEHIESA-N 411.480 -0.190 10 20 HBCD N=C1NCCN1CC(=O)N1CCCC12CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1842910538 OHKNHEGBIODYOH-HWKANZROSA-N 415.450 -0.140 10 20 HBCD COCCN1C(=O)/C(=C\Nc2ccc(C(=O)NCC(=O)OC)cc2)C(=O)NC1=S 730974829 QSQUMZMYNNUJDT-LCYFTJDESA-N 420.447 -0.225 10 20 HBCD CNc1nsnc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)c1 1796136638 JZICZXWGOVIKPM-DDFAGTSDSA-N 420.451 -0.097 10 20 HBCD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1)C(O)O 1802926576 PYOZWTVGVNLAKV-RISCZKNCSA-N 424.504 -0.742 10 20 HBCD CC(C)[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1830866440 MCAQGYHAQZKNOC-APWZRJJASA-N 409.439 -0.420 10 20 HBCD COc1ccc(N2CCN(C[C@H](O)CN3CCC(S(N)(=O)=O)CC3)CC2)cc1 754075329 NWZGERWDBNRRSZ-QGZVFWFLSA-N 412.556 -0.069 10 20 HBCD C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 779500239 NYSHXOFAJUTZCQ-DYVFJYSZSA-N 409.508 -0.187 10 20 HBCD CCS(=O)(=O)N[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2 1841580905 OJZHHDRQIIIOKJ-NSHDSACASA-N 412.468 -0.362 10 20 HBCD CNS(=O)(=O)c1cc(NS(=O)(=O)c2ccc(S(C)(=O)=O)nc2)ccc1O 794595883 UKMCOJZCEBGJNO-UHFFFAOYSA-N 421.478 -0.100 10 20 HBCD O=C(c1cc(O)nc(O)c1)N1CCOC[C@]2(C1)CN(C(=O)C1CCOCC1)CCO2 1835188766 RKJDSEBRWFMMQW-FQEVSTJZSA-N 421.450 -0.011 10 20 HBCD CC(C)OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)CSC1=S 1802104549 WLYLZIOFIKCLGV-DRXBFXEBSA-N 415.537 -0.139 10 20 HBCD C/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1C(=O)CSC1=S)CCO2 1840897227 RKBNCDUNHSZWHU-YATRRXNKSA-N 413.521 -0.121 10 20 HBCD CS(=O)(=O)NCCNC(=S)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 727079819 TVAPKTXCXRSOHH-CQSZACIVSA-N 413.569 -0.098 10 20 HBCD CN1C[C@@H](NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CCC1=O 793728398 YJKWDXJUYBATGP-CVEARBPZSA-N 415.494 -0.259 10 20 HBCD NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2C(=O)CSC2=S)C1 1783245846 GDLJYUCTAHZABL-BDJLRTHQSA-N 400.526 -0.681 10 20 HBCD O=C(CN1C(=O)CSC1=S)N1CCO[C@@]2(CCN(C(=O)C3=COCC3)C2)C1 1784770458 UTWRRSKYNHYBTH-KRWDZBQOSA-N 411.505 -0.019 10 20 HBCD Cc1c(CNC(=O)C(=O)N2CCO[C@H](CN(C)CC(N)=O)C2)n(C)c2ccccc12 568551297 JKRWPPXGKZRGCD-OAHLLOKOSA-N 415.494 -0.253 10 20 HBCD CN(C)c1ccc(CNC(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1F 803662705 LXTOUBFRVMBNBC-UHFFFAOYSA-N 405.474 -0.069 10 20 HBCD COc1ccc(N2CCN(CC(=O)NC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cc1 916568311 LECGLUMRIIGLRP-AWEZNQCLSA-N 410.496 -0.170 10 20 HBCD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)COc2cccnn2)C1 1846594516 ZIWWWGLXYJULDU-UHFFFAOYSA-N 421.504 -0.081 10 20 HBCD COc1ccc(N2CCN(CCNC(=O)N3CC[C@@H](S(N)(=O)=O)C3)CC2)cc1 770424557 OLBGVRXMZGDKJF-QGZVFWFLSA-N 411.528 -0.110 10 20 HBCD NC(=O)[C@H]1CN(C(=O)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CCO1 789835671 PYHYHXGNZDBJOF-MRXNPFEDSA-N 408.430 -0.884 10 20 HBCD CCOC(=O)c1cnn2c(O)cc(CN3CCN([C@@H]4CCS(=O)(=O)C4)CC3)nc12 917056109 RQYHCQXFCPMMSN-CQSZACIVSA-N 423.495 -0.084 10 20 HBCD O=C(CN1C(=O)CSC1=S)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnoc1)C2 1802104654 COMCFOBYZICXBW-GNXNZQSNSA-N 410.477 -0.262 10 20 HBCD CC(C)OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2 1792617185 NXFGSQZXZDCTSC-DRXBFXEBSA-N 415.537 -0.139 10 20 HBCD C[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1840881463 ULWBACMSKWMXNK-OBOGRJQTSA-N 422.434 -0.346 10 20 HBCD COCCNC(=O)Cn1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)cn1 743638783 UVGKWJXLLJPETP-UHFFFAOYSA-N 411.440 -0.025 10 20 HBCD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CCN4C(=O)NC(=O)[C@H]4C3)cc2)C1 760093979 BWIIZDQBYXXAFK-GOEBONIOSA-N 414.466 -0.166 10 20 HBCD COCCN1C(=O)/C(=C\Nc2cc(S(N)(=O)=O)ccc2O)C(=O)NC1=S 920977456 AUHSRWASTOYIBT-CLFYSBASSA-N 400.438 -0.775 10 20 HBCD CCOC(=O)c1cnn2c(O)cc(CN3CCC[C@@H](CNS(N)(=O)=O)C3)nc12 726882266 KDVHTYHWRMTIDL-NSHDSACASA-N 412.472 -0.383 10 20 HBCD CN(C)c1ccc(CNC(=O)CN[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1 735493942 TXLZKKLVKBCNOC-QZTJIDSGSA-N 410.540 -0.544 10 20 HBCD CC(C)[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785539814 PIYBWSRFCAARRN-YOEHRIQHSA-N 415.537 -0.307 10 20 HBCD Cc1nc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)nc(O)c2)no1 1796136157 WDNBLMGLTOVEJB-DPIQGUFMSA-N 403.395 -0.370 10 20 HBCD CC(C)N(C)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1840565615 RNLYSSOQYZLCKZ-HXUWFJFHSA-N 422.482 -0.097 10 20 HBCD O=C(CN1C(=O)CSC1=S)N1CC[C@@]2(C1)CN(C(=O)c1ncccn1)CCO2 1785537997 OEUKDKYQGVXJOB-QGZVFWFLSA-N 421.504 -0.220 10 20 HBCD Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)nc(O)c2)nn1C 1796136774 MSLFSAORPBKEIT-HBCWATKFSA-N 415.450 -0.019 10 20 HBCD O=C(COCCO)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1799343269 OMESTGAUAJFCOM-UNALJEAJSA-N 422.434 -0.585 10 20 HBCD Oc1ccc([C@H]2Oc3cc(O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3C[C@@H]2O)cc1O 4098239 UQKKDJWFQBNZBJ-MLYGIHNMSA-N 422.386 -0.342 10 20 HBCD biogenic,in-vitro COC(=O)C[C@@H]1C(=O)NCCN1C[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 753996795 URZOELSTPADKOX-IEBWSBKVSA-N 420.510 -0.458 10 20 HBCD COc1cc(N2CCN(C(=O)C(=O)NCC(=O)N(C)C)CC2)cc(OC)c1OC 782702260 OJANXVHWHABNTF-UHFFFAOYSA-N 408.455 -0.435 10 20 HBCD CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)nc(O)c4)C3)C2)COC1 1830029438 ZWEYMSMDIYTCOJ-IBGZPJMESA-N 407.423 -0.401 10 20 HBCD Cn1cncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1834323708 HDHAFVRKWZLFHJ-LJQANCHMSA-N 417.422 -0.390 10 20 HBCD COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCCN3C(=O)CNC3=O)CC2)cc1 778275594 LKEBTTYIVMYSCU-SREVYHEPSA-N 415.450 -0.432 10 20 HBCD Cc1nnc(CC(=O)N2CCCC23CN(C(=O)CN2C(=O)CSC2=S)C3)o1 1843046402 KMIUYXJUFRORHB-UHFFFAOYSA-N 409.493 -0.016 10 20 HBCD COc1ccc(N2CCN(C[C@H](O)CN3CCN4C(=O)NC(=O)[C@@H]4C3)CC2)cc1 754083264 YOLRSEHREKSVEP-WMZOPIPTSA-N 403.483 -0.586 10 20 HBCD Nc1n[nH]c(CCC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(O)nc(O)c2)CCO3)n1 1778849778 ZUYBJYSJYFIEKO-GOSISDBHSA-N 417.426 -0.731 10 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402.411 -0.451 10 20 HBCD CN1CCC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1832060371 LEZXHHGZOOZVNV-MGPUTAFESA-N 420.466 -0.343 10 20 HBCD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)C(O)O 1802926562 PYOZWTVGVNLAKV-BXUZGUMPSA-N 424.504 -0.742 10 20 HBCD CC(C)(O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1835264492 ZKQROYKYSHAYTB-IBGZPJMESA-N 409.439 -0.276 10 20 HBCD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)Cn2cnnn2)C1 1843085588 UICLNEBAABWPOI-HWKANZROSA-N 400.395 -0.293 10 20 HBCD CC(=O)NC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1C(=O)CSC1=S 1847823381 CNBUSSLFCRIMIW-RYUDHWBXSA-N 412.537 -0.037 10 20 HBCD O=C(/C=C\c1ccc(O)c(O)c1)OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 759588224 JTYSKDLKPJQDRC-HKLWWIALSA-N 424.475 -0.015 10 20 HBCD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2)c1cocn1 1794939510 WWQUXMOFPPKLRK-WDAIWFPHSA-N 410.477 -0.262 10 20 HBCD NCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1835555560 GVSMNTJKUCRJMU-GVTIMSHASA-N 407.423 -0.768 10 20 HBCD CCC(=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21 1790818341 VNKXMZFLBWACLR-GVXVVHGQSA-N 413.521 -0.195 10 20 HBCD O=C(c1cc(O)nc(O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1ncccn1)CCO2 1834292785 UDQVDIAXWNJPBR-IBGZPJMESA-N 415.406 -0.333 10 20 HBCD O=C(Cn1ccncc1=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1782661305 WIOONIKILQYGAU-LJQANCHMSA-N 415.406 -0.807 10 20 HBCD O=C(CN1C(=O)CSC1=S)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCOC1)CCO2 1785546192 IBFKNXVMHMFVOW-YVEFUNNKSA-N 413.521 -0.287 10 20 HBCD O=C(Cn1nccn1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S 1804335924 MMESHXFQOOIRFB-ZSBIGDGJSA-N 408.509 -0.223 10 20 HBCD COc1ccc(N2CCN(C(=O)COC(=O)Cn3ccc(=O)n(C)c3=O)CC2)cc1 915236669 AUCDLOGILWSGSW-UHFFFAOYSA-N 416.434 -0.552 10 20 HBCD O=C(CN1C(=O)CSC1=S)N1CC[C@]2(C1)CN(C(=O)c1cnccn1)CCO2 1785537817 KOHAGGPFNFVHBJ-KRWDZBQOSA-N 421.504 -0.220 10 20 HBCD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779379940 NRQLOWCPIVJDHC-KRWDZBQOSA-N 418.366 -0.119 10 20 HBCD CS(=O)(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)CSC1=S)C2 1795793337 OEAJGFKIVRXLGT-JGPRNRPPSA-N 419.550 -0.471 10 20 HBCD C[C@H](CC(N)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1831604365 PQQXUBWTHSVZAU-BLVKFPJESA-N 422.438 -0.926 10 20 HBCD CNC(=O)CC(=O)N1CCO[C@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785503650 NDELYAYHAXJEFN-GECPCNCSSA-N 419.434 -0.217 10 20 HBCD CO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785547416 ZQXUPFBWMWFTCY-MEDUHNTESA-N 401.510 -0.289 10 20 HBCD O=C1CC[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)nc(O)c4)[C@H]3C2)N1 1787291093 HOKBOEYBWQFHFC-PYJNHQTQSA-N 404.423 -0.635 10 20 HBCD O=C(Cn1nccn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1789970544 LESAFERTOBOXKR-UBHSHLNASA-N 402.411 -0.622 10 20 HBCD COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCCCNS(C)(=O)=O)CC2)cc1 778230253 BANVEPPAEFADAP-HJWRWDBZSA-N 424.523 -0.045 10 20 HBCD CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NCc1ccc(N(C)C)cc1)C2 786172784 BVIZVGAXDCWKCR-UHFFFAOYSA-N 401.471 -0.076 10 20 HBCD CN(C)C(=O)Cn1nc2n(c1=O)CCN(c1cc3c(cc1[N+](=O)[O-])OCC(=O)N3)C2 786089091 LJPRIKLHBGFVDN-UHFFFAOYSA-N 417.382 -0.608 10 20 HBCD CCS(=O)(=O)CCNC(=O)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 789837273 YGQSIJZNMSGIPO-UHFFFAOYSA-N 415.487 -0.046 10 20 HBCD CC(=O)NCC(=O)NCC(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 917325121 IJITYZPLAJCAEJ-UHFFFAOYSA-N 424.429 -0.926 10 20 HBCD COc1ccc(N2CCN(CCNC(=O)C(=O)N3CCNC(=O)[C@@H]3C)CC2)cc1 803750814 ODXZKDZBWLIRQW-HNNXBMFYSA-N 403.483 -0.720 10 20 HBCD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2)c1cnc[nH]1 1794716662 UIHUEAFYNIYXFJ-WDAIWFPHSA-N 409.493 -0.527 10 20 HBCD N=C1NCCN1CC(=O)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1843442101 XZLBYYLUNRXIHZ-UHFFFAOYSA-N 423.477 -0.177 10 20 HBCD N=C(N)NCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782002834 XLUJLJRPCSZSQW-KRWDZBQOSA-N 411.846 -0.322 10 20 HBCD CC[C@@H](NC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2C1 1787291043 AUBWMFVFDHQEKV-DEQVHRJGSA-N 421.454 -0.467 10 20 HBCD C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2C1)n1ccnn1 1787294487 UBBNRQMNXWRFHI-DHMWGJHJSA-N 416.438 -0.061 10 20 HBCD O=C1C[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)nc(O)c4)C[C@@H]32)CCN1 1791344977 KGRLSTDJMBUKNK-JURCDPSOSA-N 418.450 -0.388 10 20 HBCD Cc1ccn(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)nc(O)c2)n1 1796136049 KUSFKYZPEAFGID-ZSBFGKGUSA-N 401.423 -0.099 10 20 HBCD CC[C@H](C)[C@H](N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1836417353 NNHCWPBYPTXBLU-QKMWGZLOSA-N 422.482 -0.064 10 20 HBCD COC(=O)C[C@H]1C(=O)NCCN1C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 753996794 URZOELSTPADKOX-HKUYNNGSSA-N 420.510 -0.458 10 20 HBCD Cc1ccc(C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c(O)c1O 780894278 LJBISENWQHEMCW-LBPRGKRZSA-N 418.493 -0.319 10 20 HBCD N=C(N)NCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NN(c3ccccc3)C(=O)C1)C2 1795982635 KARZUIDTJNUFII-YOWGUQMCSA-N 411.466 -0.099 10 20 HBCD Cc1nccn1CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)c1 1796140879 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