smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(S(=O)(=O)F)C1 2250014631 BFHGSVLOAPZJRE-DLBZAZTESA-N 458.556 1.417 70 10 JDIE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ccc(S(=O)(=O)F)nc1 2166520781 CQPIVFWEOAOJCQ-KRWDZBQOSA-N 459.452 1.506 70 10 JDIE Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CC(=O)N(Cc4ccccc4)C3)CC2)cc1 217287792 HLQAVLSOUIBBBP-HXUWFJFHSA-N 456.568 1.812 70 10 JDIE COc1ccc(S(=O)(=O)Cl)cc1NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O 703992191 YEPSCTUKLVJVHN-UHFFFAOYSA-N 458.901 1.661 70 10 JDIE C[SiH](C)[C@]1(n2cc(I)c(O)nc2=O)C[C@@H](O)[C@@H](COC(C)(C)C)O1 1614137700 RJGSRQWZPVKDAQ-HFAKWTLXSA-N 468.364 1.197 70 10 JDIE O=S(=O)(Cc1ccc(C(F)(F)F)cc1)N1CCN(c2cc(-n3cncn3)ncn2)CC1 218683137 BNSFUBOPWWYORN-UHFFFAOYSA-N 453.450 1.728 70 10 JDIE CN(C)CCN(C(=O)Nc1ccc2c(c1)C(=O)N(C(C)(C)C)C2=O)[C@@H]1CCS(=O)(=O)C1 217280492 JAQJPAGPAMYFPH-OAHLLOKOSA-N 450.561 1.664 70 10 JDIE CC(C)(C)OC(=O)NCCN(CC(=O)N[C@@H]1CCN(S(=O)(=O)F)C1)Cc1ccccc1 2250013645 HPQYCYUTRBCORF-QGZVFWFLSA-N 458.556 1.418 70 10 JDIE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)N[C@H]1CCN(S(=O)(=O)F)C1 2250019619 VKIVXGFNXASCPC-IRXDYDNUSA-N 459.540 1.891 70 10 JDIE O=S(=O)(Cl)CCS(=O)(=O)c1ncc(I)cc1Br 2015756763 KMQGVWPIDIDPOF-UHFFFAOYSA-N 474.523 1.791 70 10 JDIE CC(C)(C)OC(=O)NC1(C(=O)NC2CN(S(=O)(=O)F)C2)CCN(Cc2ccccc2)CC1 2256750607 GACOUNQMWLSTNB-UHFFFAOYSA-N 470.567 1.561 70 10 JDIE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H]1CCN(S(=O)(=O)F)C1 2364201196 CPKNZSNMLLBMTG-CQSZACIVSA-N 461.537 1.051 70 10 JDIE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)F)CC1 1974014861 NJGOFBUVWMRLBI-QGZVFWFLSA-N 458.556 1.370 70 10 JDIE COC(=O)N1CCN(C(=O)NCCCN2C(=O)c3ccc(Br)cc3C2=O)CC1 217306761 LZCBXVAEHWOHQE-UHFFFAOYSA-N 453.293 1.529 70 10 JDIE C[C@@H](NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O)c1ccc(S(=O)(=O)Cl)cc1 707444447 DWQMRCWDPBYGGX-GFCCVEGCSA-N 456.929 1.891 70 10 JDIE COc1c(NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)cc(C)cc1S(=O)(=O)Cl 703989333 HJZDIVIQJVUSBM-UHFFFAOYSA-N 472.928 1.969 70 10 JDIE O=C(CCN1C(=O)c2ccc(Br)cc2C1=O)N1CCN(CCN2CCCC2)CC1 216831621 ZTRZZDKMYBNGCJ-UHFFFAOYSA-N 463.376 1.675 70 10 JDIE Cn1cc(S(=O)(=O)F)c(=NC(=O)C2(COCc3ccccc3)CN(C(=O)OC(C)(C)C)C2)[nH]1 2268836508 WKTQZDHHXDUPIU-UHFFFAOYSA-N 482.534 1.893 70 10 JDIE Cc1nc(NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)sc1S(=O)(=O)Cl 703990601 LKGJTSAVDXPION-UHFFFAOYSA-N 463.946 1.807 70 10 JDIE CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCN(c3cc(-n4cncn4)ncn3)CC2)cc1 218620746 OXDNGSVLVPZSDO-UHFFFAOYSA-N 470.559 1.050 70 10 JDIE C[C@H](NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O)c1ccc(S(=O)(=O)Cl)cc1 707444454 DWQMRCWDPBYGGX-LBPRGKRZSA-N 456.929 1.891 70 10 JDIE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N=c1[nH]n(C)cc1S(=O)(=O)F 2060818567 RDNJHDZJUQZJDC-HNNXBMFYSA-N 469.539 1.464 70 10 JDIE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCC(S(=O)(=O)F)CC1 2364201481 GWBSPHPKYGDZFC-UHFFFAOYSA-N 460.549 1.937 70 10 JDIE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1CN(S(=O)(=O)F)C1 1974054576 FVIHMOFLXSORQN-KRWDZBQOSA-N 458.556 1.274 70 10 JDIE CC(C)(C)OC(=O)N[C@]1(C(=O)NC2CCN(S(=O)(=O)F)CC2)CCN(Cc2ccccc2)C1 2124720299 VBMJSIIGXKFLKP-JOCHJYFZSA-N 484.594 1.951 70 10 JDIE COc1ccc([C@@H](O)CNC(=O)C(=O)Nc2cc3c4c(c2)CCC(=O)N4CCC3)cc1OC 217393168 SSUCVKYFFDJFTJ-SFHVURJKSA-N 453.495 1.718 70 10 JDIE Cc1c(CS(=O)(=O)Cl)c(C)c(N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1B(O)O 1887514930 PQSWBSMBNIRMRV-UHFFFAOYSA-N 460.789 1.417 70 10 JDIE CC(C)CN1C(=O)c2ccc(NC(=O)N(CCN(C)C)[C@H]3CCS(=O)(=O)C3)cc2C1=O 217279672 POYPKOIPVHZTED-INIZCTEOSA-N 450.561 1.521 70 10 JDIE COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)CNS(=O)(=O)c1cc(C)ccc1C 217900471 STTHYYLPVDBSEK-FUHWJXTLSA-N 464.515 1.942 70 10 JDIE CCCC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cc(-n4cncn4)ncn3)CC2)cc1 218681550 YPXNRLPHIOZAJV-UHFFFAOYSA-N 456.532 1.307 70 10 JDIE O=C(CC[C@H](NC(=O)OCc1ccccc1)C(F)(F)F)NCC1CN(S(=O)(=O)F)C1 1974055582 SSZWGQKPPITRFY-AWEZNQCLSA-N 455.430 1.886 70 10 JDIE COc1ccc(OC)c(-c2cc(C(=O)N3CCN(c4cc(-n5cncn5)ncn4)CC3)[nH]n2)c1 218630333 AHGIZPNFBFCPAN-UHFFFAOYSA-N 461.486 1.427 70 10 JDIE O=C(N[C@@H]1CCCCN1[C@@H]1C(=O)CSC1=O)[C@H]1CC(=O)N(c2ccc(N3CCCC3)cc2)C1 216642826 GEBFGVLTRBRQBN-XUEUYAKLSA-N 470.595 1.779 70 10 JDIE COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)CNS(=O)(=O)c1cccc(Cl)c1 217902179 HCRHUJUQJPJUNB-YOEHRIQHSA-N 470.906 1.979 70 10 JDIE CN(C)CCN(C(=O)Nc1ccccc1I)[C@@H]1CCS(=O)(=O)C1 217272961 ZZXYDCYXTYBOOF-GFCCVEGCSA-N 451.330 1.874 70 10 JDIE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)N2CCN(S(=O)(=O)F)CC2)C1 2256710896 OKZHOBRMIIEZMY-UHFFFAOYSA-N 471.551 1.799 70 10 JDIE CCCn1c(C(=O)N2CCC[C@]3(C2)OC(=O)c2ccccc23)cc2c(=O)n(C)c(=O)n(C)c21 217580703 SFMNIKBHQRNAHR-XMMPIXPASA-N 450.495 1.751 70 10 JDIE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1 2250014807 BYCMMPXUHAMPGQ-USXIJHARSA-N 459.540 1.890 70 10 JDIE COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 217898566 OMRYHXPMBVUISA-YLJYHZDGSA-N 492.525 1.682 70 10 JDIE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NCc1ccc(S(=O)(=O)Cl)s1 703988132 BYNAAZNDUYFWOA-UHFFFAOYSA-N 462.958 1.781 70 10 JDIE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@@H](S(=O)(=O)F)C1 2108227404 GZDJDTWNRYSFBW-SJKOYZFVSA-N 450.485 1.104 70 10 JDIE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)F)CC1 1974000884 IPPSKLDYSBQRLV-DOTOQJQBSA-N 459.540 1.844 70 10 JDIE COc1ccc([C@@H](O)CNC(=O)C(=O)Nc2ccc3c(c2)N(S(C)(=O)=O)CCC3)cc1OC 217392978 UGYQNNKVYYJYOY-SFHVURJKSA-N 477.539 1.204 70 10 JDIE CC(C)(C)OC(=O)NC1(C(=O)NCC2CN(S(=O)(=O)F)C2)CCN(Cc2ccccc2)CC1 2124735379 VOGMIKGLWZYUIL-UHFFFAOYSA-N 484.594 1.808 70 10 JDIE CCCn1c(C(=O)N2C[C@@H](Oc3ccccc3F)C[C@@H]2C(=O)OC)cc2c(=O)n(C)c(=O)n(C)c21 217921281 JUDVRXJCRDZFNI-KBXCAEBGSA-N 486.500 1.423 70 10 JDIE O=C(c1ccccc1I)N1CCN(c2cc(-n3cncn3)ncn2)CC1 218619153 DBYCRXUPDDQYAE-UHFFFAOYSA-N 461.267 1.624 70 10 JDIE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)NC1CCN(S(=O)(=O)F)CC1 1974402359 MQPAYFCCYQOTJV-QGZVFWFLSA-N 459.540 1.891 70 10 JDIE Cn1cc(S(=O)(=O)F)c(NS(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)n1 1923153405 PUWXBNHDIHTABC-UHFFFAOYSA-N 458.493 1.142 70 10 JDIE COc1cc(/C=C/C(=O)N2CCN(c3cc(-n4cncn4)ncn3)CC2)cc(OC)c1OC 218625356 FURWLCHIZFTHEN-SNAWJCMRSA-N 451.487 1.445 70 10 JDIE O=C([C@@H]1CC(=O)N(c2cccc(Br)c2)C1)N1CCN(c2cc(-n3cncn3)ncn2)CC1 218631145 JKEIDVIOUGNZQS-OAHLLOKOSA-N 497.357 1.522 70 10 JDIE C[C@H](C(=O)N1CCN(c2cc(-n3cncn3)ncn2)CC1)n1nc(-c2cccs2)ccc1=O 218636756 RSHBCEHMIJPTIZ-OAHLLOKOSA-N 463.527 1.252 70 10 JDIE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1CN(S(=O)(=O)F)C1 1974054577 FVIHMOFLXSORQN-QGZVFWFLSA-N 458.556 1.274 70 10 JDIE CN(C(=O)NCCCN1C(=O)c2ccc(Br)cc2C1=O)[C@@H]1CCS(=O)(=O)C1 217306593 TWKWLMTYDHNYRE-GFCCVEGCSA-N 458.334 1.264 70 10 JDIE O=C(NCc1cc(OS(=O)(=O)F)cc(B(O)O)c1)OCC1c2ccccc2-c2ccccc21 1887578946 HJBHUCDJMNTSHR-UHFFFAOYSA-N 471.271 1.998 70 10 JDIE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1CN(S(=O)(=O)F)C1 2010544337 NRIQAJPMOURQDQ-RHSMWYFYSA-N 459.540 1.747 70 10 JDIE COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1ccc(S(=O)(=O)N(C)C)cc1 217897028 HQCFBRNPJYHBCS-MAUKXSAKSA-N 450.488 1.911 70 10 JDIE COc1ccc(Br)cc1S(=O)(=O)N1CCN(c2cc(-n3cncn3)ncn2)CC1 218680624 RJFDVCMEVQAOSC-UHFFFAOYSA-N 480.348 1.339 70 10 JDIE COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)CCNS(=O)(=O)c1c(F)cccc1F 217908358 VNULFKXFXTUTSB-SUMWQHHRSA-N 486.468 1.994 70 10 JDIE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)NCCc1ccc(S(=O)(=O)Cl)cc1 703990985 PNGOFTZPAVZUHP-UHFFFAOYSA-N 456.929 1.372 70 10 JDIE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)N[C@H]1CCN(S(=O)(=O)F)C1 2250019617 VKIVXGFNXASCPC-DLBZAZTESA-N 459.540 1.891 70 10 JDIE CC(C)C(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cc(-n4cncn4)ncn3)CC2)cc1 218681462 PTIIFCGCZRABGB-UHFFFAOYSA-N 456.532 1.163 70 10 JDIE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(S(=O)(=O)F)CC1 1974394037 BPRRMEPGNMCALQ-SFHVURJKSA-N 472.583 1.807 70 10 JDIE O=S(=O)(c1ccc(Br)cc1)N1CCN(c2cc(-n3cncn3)ncn2)CC1 218679018 NNFOXXCOCMWUCI-UHFFFAOYSA-N 450.322 1.331 70 10 JDIE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(S(=O)(=O)F)C1 2250020022 BYCMMPXUHAMPGQ-XIRDDKMYSA-N 459.540 1.890 70 10 JDIE COc1ccc(C(=O)NCC2CCN(C(=O)CN3C(=O)c4ccccc4C3=O)CC2)cc1OC 216869493 RMDUTDBLANRWOU-UHFFFAOYSA-N 465.506 1.968 70 10 JDIE COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)CCNS(=O)(=O)c1c(F)cccc1F 217908278 VNULFKXFXTUTSB-GUYCJALGSA-N 486.468 1.994 70 10 JDIE CCN(C(=O)NCCCN1C(=O)c2ccc(Br)cc2C1=O)[C@H]1CCS(=O)(=O)C1 217306592 VNVNZWJHLQYJBO-ZDUSSCGKSA-N 472.361 1.654 70 10 JDIE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(S(=O)(=O)F)C1 2250014806 BYCMMPXUHAMPGQ-BHYGNILZSA-N 459.540 1.890 70 10 JDIE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CC(CS(=O)(=O)F)C2)CCN(Cc2ccccc2)C1 2022194032 AXNXAPNTZLEMFT-OAQYLSRUSA-N 455.552 1.914 70 10 JDIE CCOc1ccc(Br)cc1S(=O)(=O)N1CCN(c2cc(-n3cncn3)ncn2)CC1 218679123 BDODDYHKOKOBTK-UHFFFAOYSA-N 494.375 1.729 70 10 JDIE Cc1cc(NC(=O)CS(C)(=O)=O)c(I)cc1S(=O)(=O)Cl 2240641864 GCJXJGAMRNFGEE-UHFFFAOYSA-N 451.691 1.510 70 10 JDIE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)N[C@@H]1CCN(S(=O)(=O)F)C1 2250019618 VKIVXGFNXASCPC-IAGOWNOFSA-N 459.540 1.891 70 10 JDIE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)C1 2258974838 AQROYPRJIJHXST-QGZVFWFLSA-N 471.551 1.845 70 10 JDIE CC(C)CN1C(=O)c2ccc(NC(=O)N(CCN(C)C)[C@@H]3CCS(=O)(=O)C3)cc2C1=O 217279671 POYPKOIPVHZTED-MRXNPFEDSA-N 450.561 1.521 70 10 JDIE Cc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3ccc(NS(C)(=O)=O)cc3)CC2)cc1 217282999 YTIJWBSHVQZCSE-UHFFFAOYSA-N 452.558 1.905 70 10 JDIE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)NC1CCN(S(=O)(=O)F)CC1 1974402358 MQPAYFCCYQOTJV-KRWDZBQOSA-N 459.540 1.891 70 10 JDIE COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1ccc(S(=O)(=O)N(C)C)cc1 217897204 HQCFBRNPJYHBCS-YJBOKZPZSA-N 450.488 1.911 70 10 JDIE CC(C)(C)OC(=O)N[C@]1(C(=O)NC2CN(S(=O)(=O)F)C2)CCN(Cc2ccccc2)C1 2248494751 BOKCSYLBSBNARE-HXUWFJFHSA-N 456.540 1.171 70 10 JDIE Cn1nc(-c2ccc(F)cc2F)cc1C(=O)N1CCN(c2cc(-n3cncn3)ncn2)CC1 218644805 ORLDKSXRDGCMCF-UHFFFAOYSA-N 451.441 1.698 70 10 JDIE COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)CCNS(=O)(=O)c1c(F)cccc1F 217908444 VNULFKXFXTUTSB-DYVFJYSZSA-N 486.468 1.994 70 10 JDIE Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)[nH]1 2124716634 BYHUZMLYEUZYFJ-NRFANRHFSA-N 481.550 1.608 70 10 JDIE CCCn1c(C(=O)N2C[C@H](Oc3ccccc3F)C[C@@H]2C(=O)OC)cc2c(=O)n(C)c(=O)n(C)c21 217921196 JUDVRXJCRDZFNI-RDTXWAMCSA-N 486.500 1.423 70 10 JDIE O=C(Nc1cnn(C[C@H]2COc3ccccc3O2)c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 218268317 AVGSAGIFPZBQDH-IBGZPJMESA-N 484.534 1.996 70 10 JDIE COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)CNS(=O)(=O)c1c(F)cccc1F 217908090 SNHJACGFPYXUMV-WBMJQRKESA-N 472.441 1.604 70 10 JDIE COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)CCNS(=O)(=O)c1ccccc1F 217904367 MZEIMOZEVXQEBD-RHSMWYFYSA-N 468.478 1.855 70 10 JDIE CC(C)(C)OC(=O)NCCN(CC(=O)NC1CCN(S(=O)(=O)F)CC1)Cc1ccccc1 1974395118 VVODDXGMLAVRKK-UHFFFAOYSA-N 472.583 1.808 70 10 JDIE O=C(NCCCN1CCCC1=O)NCCCN1C(=O)c2ccc(Br)cc2C1=O 217306358 MCYVSPIJAZGLFY-UHFFFAOYSA-N 451.321 1.747 70 10 JDIE CC(C)(C)OC(=O)N[C@@]1(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)CCN(Cc2ccccc2)C1 2258977935 GRVJVPYTAJUMQP-UWJYYQICSA-N 470.567 1.561 70 10 JDIE COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)CCNS(=O)(=O)c1ccccc1F 217904296 MZEIMOZEVXQEBD-PBHICJAKSA-N 468.478 1.855 70 10 JDIE COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)CNS(=O)(=O)c1c(F)cccc1F 217908004 SNHJACGFPYXUMV-BLLLJJGKSA-N 472.441 1.604 70 10 JDIE CC(C)(C)OC(=O)N[C@]1(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)CCN(Cc2ccccc2)C1 2258977932 GRVJVPYTAJUMQP-DYESRHJHSA-N 470.567 1.561 70 10 JDIE O=C(NCC1CN(S(=O)(=O)F)C1)c1cc(Br)ccc1I 1974060118 QZGVRNWGLBNUGL-UHFFFAOYSA-N 477.093 1.930 70 10 JDIE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N=c1[nH]n(C)cc1S(=O)(=O)F 2060817525 FWANATIEFBCQRT-XJKSGUPXSA-N 470.523 1.937 70 10 JDIE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)NCCc1ccc(S(=O)(=O)Cl)s1 703990432 ODUBFZWUGANWJH-UHFFFAOYSA-N 462.958 1.434 70 10 JDIE O=S(=O)(NC1CN(S(=O)(=O)F)C1)c1cc(Br)sc1Br 2268773153 MCIQVJVXICXHTN-UHFFFAOYSA-N 458.150 1.450 70 10 JDIE COc1ccc(OC)c(-c2cc(C(=O)N3CCN(c4cc(-n5cncn5)ncn4)CC3)n(C)n2)c1 218639028 MFABDWLELSXUCX-UHFFFAOYSA-N 475.513 1.437 70 10 JDIE COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)CCNS(=O)(=O)c1cccc(F)c1 217907847 XMUWYEFCGROHEJ-CRAIPNDOSA-N 468.478 1.855 70 10 JDIE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)F)CC1 1974014860 NJGOFBUVWMRLBI-KRWDZBQOSA-N 458.556 1.370 70 10 JDIE CC(=O)OC[C@@H]1O[C@@H](Br)[C@@H](N2C(=O)c3ccccc3C2=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 35636640 GRDUQQNEXMJRRS-NNPSNHGLSA-N 498.282 1.198 70 10 JDIE in-vitro O=C(NC[C@H]1CCCN(c2nccs2)C1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 218129053 MHCQARPRQHMMLZ-MRXNPFEDSA-N 450.586 1.810 70 10 JDIE CC(=O)N1CCN(Cc2cccc(NS(=O)(=O)c3cccc(S(=O)(=O)F)c3)c2)CC1 848948406 SNTOCTDINMBCBK-UHFFFAOYSA-N 455.533 1.810 70 10 JDIE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N=c1[nH]n(C)cc1S(=O)(=O)F 2060817522 FWANATIEFBCQRT-BBRMVZONSA-N 470.523 1.937 70 10 JDIE O=C(NC1CN(S(=O)(=O)F)C1)c1ccc(I)c(Br)c1 2268803269 DCZLAWAJRCIONP-UHFFFAOYSA-N 463.066 1.682 70 10 JDIE CC(C)(C)OC(=O)N1CCN(Cc2cc(OS(=O)(=O)F)cc(S(=O)(=O)F)c2)CC1 1887514720 PNHJACKJBQXSNV-UHFFFAOYSA-N 456.489 1.991 70 10 JDIE OCCOc1c(I)ccc(I)c1OCCO 218647504 LIRBCEFFASJATK-UHFFFAOYSA-N 450.010 1.638 70 10 JDIE O=C([C@H]1CC(=O)N(c2cccc(Br)c2)C1)N1CCN(c2cc(-n3cncn3)ncn2)CC1 218631226 JKEIDVIOUGNZQS-HNNXBMFYSA-N 497.357 1.522 70 10 JDIE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ccc(S(=O)(=O)F)nc1 2166520782 CQPIVFWEOAOJCQ-QGZVFWFLSA-N 459.452 1.506 70 10 JDIE CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCN(S(=O)(=O)F)CC2)CCN(Cc2ccccc2)C1 2060811631 ONAWCIDUABTQQR-NRFANRHFSA-N 470.567 1.514 70 10 JDIE COCCCN1C(=O)c2ccc(C(=O)N3CCN(C(=O)c4ccc(OC)c(OC)c4)CC3)cc2C1=O 216855948 YLLOIJYFNBBSOP-UHFFFAOYSA-N 495.532 1.935 70 10 JDIE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)F)CC1 2010543273 IPPSKLDYSBQRLV-NVXWUHKLSA-N 459.540 1.844 70 10 JDIE CC(C)(C)OC(=O)NC1(C(=O)N2CCN(S(=O)(=O)F)CC2)CCN(Cc2ccccc2)CC1 2124735417 VUURJZYKGRBZKV-UHFFFAOYSA-N 484.594 1.904 70 10 JDIE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)N[C@H]1CCN(S(=O)(=O)F)C1 2250015238 VKIVXGFNXASCPC-DLBZAZTESA-N 459.540 1.891 70 10 JDIE CN(C)CCN(C(=O)Nc1ccc2c(c1)C(=O)N(C(C)(C)C)C2=O)[C@H]1CCS(=O)(=O)C1 217280493 JAQJPAGPAMYFPH-HNNXBMFYSA-N 450.561 1.664 70 10 JDIE COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)CNS(=O)(=O)c1cccc(F)c1 217902579 DZBDFVZLJYYYBU-WMLDXEAASA-N 454.451 1.465 70 10 JDIE Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)[nH]1 2124716635 BYHUZMLYEUZYFJ-OAQYLSRUSA-N 481.550 1.608 70 10 JDIE C[S@@](=O)CCNC(=O)c1cc(I)cc(S(=O)(=O)Cl)c1F 2169666789 BNVQIDPDAGWSDB-LJQANCHMSA-N 453.682 1.466 70 10 JDIE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1 2258976736 ULBNSNNZVQUPGH-CVEARBPZSA-N 473.523 1.418 70 10 JDIE COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1ccc(S(=O)(=O)N(C)C)cc1 217896971 HQCFBRNPJYHBCS-CRAIPNDOSA-N 450.488 1.911 70 10 JDIE O=C(c1cc2cc(Br)ccc2oc1=O)N1CCN(c2cc(-n3cncn3)ncn2)CC1 218618721 CDFOJSWQWNYOIR-UHFFFAOYSA-N 482.298 1.889 70 10 JDIE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1 2250020021 BYCMMPXUHAMPGQ-UAGQMJEPSA-N 459.540 1.890 70 10 JDIE CC(C)(C)OC(=O)N[C@@]1(C(=O)NCC2CN(S(=O)(=O)F)C2)CCN(Cc2ccccc2)C1 2060811426 MCEMHBVYWAKBCF-NRFANRHFSA-N 470.567 1.418 70 10 JDIE O=C(NCCCN1C(=O)c2ccc(Br)cc2C1=O)N1CCN(c2ncccn2)CC1 217306662 MKOWKOAEZNYNMR-UHFFFAOYSA-N 473.331 1.757 70 10 JDIE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC1CCN(S(=O)(=O)F)CC1 2169020689 DPBCEOGAWZAYCC-UHFFFAOYSA-N 461.537 1.051 70 10 JDIE Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)[nH]1 2124735674 YHFAAPMKXUKIJZ-AWEZNQCLSA-N 484.506 1.466 70 10 JDIE COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1S(=O)(=O)c1ccc2oc(=O)n(C)c2c1 218003082 HVCVBXLDMHUJEW-BLLLJJGKSA-N 450.444 1.654 70 10 JDIE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)N[C@H]1CCN(S(=O)(=O)F)C1 2250015240 VKIVXGFNXASCPC-IRXDYDNUSA-N 459.540 1.891 70 10 JDIE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)N[C@H]1CCN(S(=O)(=O)F)C1 2258976737 ULBNSNNZVQUPGH-HOTGVXAUSA-N 473.523 1.418 70 10 JDIE O=C(NC1CN(S(=O)(=O)F)C1)c1cc(Br)ccc1I 2268804047 OKEWFIPAVUWESU-UHFFFAOYSA-N 463.066 1.682 70 10 JDIE Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)[nH]1 2010545375 UWUDRJCAQKLPDA-AWEZNQCLSA-N 456.496 1.549 70 10 JDIE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)NC2CN(S(=O)(=O)F)C2)C1 2248469703 ZTMYNHYIGYFWRV-UHFFFAOYSA-N 457.524 1.455 70 10 JDIE CCCn1c(C(=O)N2CCC[C@@]3(C2)OC(=O)c2ccccc23)cc2c(=O)n(C)c(=O)n(C)c21 217580790 SFMNIKBHQRNAHR-DEOSSOPVSA-N 450.495 1.751 70 10 JDIE COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)CNS(=O)(=O)c1cccc(C)c1 217905974 DHWQPGRFABFQFE-QAPCUYQASA-N 450.488 1.634 70 10 JDIE O=S(=O)(NC1CN(S(=O)(=O)F)C1)c1cc(Br)ccc1Br 2284127016 VIMFIQUWKRXUPR-UHFFFAOYSA-N 452.121 1.388 70 10 JDIE O=S(=O)(NCC1CN(S(=O)(=O)F)C1)c1cc(Br)sc1Br 2164433924 BNOZYYDMHKMHAY-UHFFFAOYSA-N 472.177 1.698 70 10 JDIE COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)CCNS(=O)(=O)c1cccc(F)c1 217907599 XMUWYEFCGROHEJ-YJBOKZPZSA-N 468.478 1.855 70 10 JDIE CC(C)(C)OC(=O)NC1(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)CCN(Cc2ccccc2)CC1 2271496721 ABTDALRMQZLUQG-GOSISDBHSA-N 484.594 1.951 70 10 JDIE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)N1CCN(S(=O)(=O)F)CC1 1974014638 LBNRXPPDKGDYBC-KRWDZBQOSA-N 459.540 1.845 70 10 JDIE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCN(S(=O)(=O)F)CC1 2364200789 XRVUSAMVCXEJDE-UHFFFAOYSA-N 461.537 1.005 70 10 JDIE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)N[C@@H]1CCN(S(=O)(=O)F)C1 2250015239 VKIVXGFNXASCPC-IAGOWNOFSA-N 459.540 1.891 70 10 JDIE CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CC(CS(=O)(=O)F)C2)CCN(Cc2ccccc2)C1 2022194031 AXNXAPNTZLEMFT-NRFANRHFSA-N 455.552 1.914 70 10 JDIE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCN(S(=O)(=O)F)CC2)CCN(Cc2ccccc2)C1 2060811632 ONAWCIDUABTQQR-OAQYLSRUSA-N 470.567 1.514 70 10 JDIE O=C(NC1CN(S(=O)(=O)F)C1)c1ccc(Br)cc1I 2268809112 KBSYZWIMKNFMIF-UHFFFAOYSA-N 463.066 1.682 70 10 JDIE COCCCN1C(=O)c2ccc(NC(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2C1=O 217280947 PLYZLMKVBSVRDE-UHFFFAOYSA-N 460.512 1.331 70 10 JDIE C[SiH](C)[C@]1(n2cc(I)c(O)nc2=O)C[C@@H](O)[C@H](COC(C)(C)C)O1 1614137703 RJGSRQWZPVKDAQ-ZETOZRRWSA-N 468.364 1.197 70 10 JDIE COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)CNS(=O)(=O)c1cccc(F)c1 217902496 DZBDFVZLJYYYBU-YOEHRIQHSA-N 454.451 1.465 70 10 JDIE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)N1CC(CS(=O)(=O)F)C1 2022194821 NBEWWISSZITOKW-INIZCTEOSA-N 458.508 1.771 70 10 JDIE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ccc(S(=O)(=O)F)nc1 2166523255 XUOHWEAMPZGUSY-UHFFFAOYSA-N 455.489 1.804 70 10 JDIE O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCN(c2cc(-n3cncn3)ncn2)CC1 218681086 ZDXLYXUVRZHJIB-UHFFFAOYSA-N 455.422 1.467 70 10 JDIE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)N[C@@H]1CCN(S(=O)(=O)F)C1 2250019620 VKIVXGFNXASCPC-SJORKVTESA-N 459.540 1.891 70 10 JDIE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)N[C@@H]1CCN(S(=O)(=O)F)C1 2250015241 VKIVXGFNXASCPC-SJORKVTESA-N 459.540 1.891 70 10 JDIE COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)CNS(=O)(=O)c1cccc(F)c1 217902726 DZBDFVZLJYYYBU-RHSMWYFYSA-N 454.451 1.465 70 10 JDIE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N[C@@H]1COc2ccc(S(=O)(=O)Cl)cc21 703992162 XVDZEEGQILCTFJ-OAHLLOKOSA-N 470.912 1.263 70 10 JDIE C[SiH](C)[C@]1(n2cc(I)c(O)nc2=O)C[C@H](O)[C@H](COC(C)(C)C)O1 1614137701 RJGSRQWZPVKDAQ-PGUXBMHVSA-N 468.364 1.197 70 10 JDIE O=C(N[C@@H](CCC(=O)N1CCN(S(=O)(=O)F)CC1)C(F)(F)F)OCc1ccccc1 1974015084 PPNRLSBFPHUDJY-AWEZNQCLSA-N 455.430 1.982 70 10 JDIE CC(C)(C)OC(=O)N[C@]1(C(=O)NCC2CN(S(=O)(=O)F)C2)CCN(Cc2ccccc2)C1 2060811427 MCEMHBVYWAKBCF-OAQYLSRUSA-N 470.567 1.418 70 10 JDIE COc1ccc(C(=O)N2CCC(NC(=O)CN3C(=O)c4ccccc4C3=O)CC2)cc1OC 216888240 VQTPSALEJNHKRJ-UHFFFAOYSA-N 451.479 1.721 70 10 JDIE CC(C)(C)OC(=O)N[C@@]1(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)CCN(Cc2ccccc2)C1 2258977934 GRVJVPYTAJUMQP-UTKZUKDTSA-N 470.567 1.561 70 10 JDIE C[C@@H](NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O)c1ccc(S(=O)(=O)Cl)s1 703991503 VAFBYIDMWTXKBD-SNVBAGLBSA-N 462.958 1.952 70 10 JDIE NC(=O)NC(=O)COc1c(Br)cc(S(=O)(=O)Cl)cc1Br 215666182 GGVMMVWLGYKABZ-UHFFFAOYSA-N 450.492 1.713 70 10 JDIE O=S(=O)(F)CCN(CCS(=O)(=O)F)S(=O)(=O)c1ccc(Br)cc1 100836624 QMWSWNLFIXRAPQ-UHFFFAOYSA-N 456.308 1.038 70 10 JDIE COc1ccc(C(=O)NCCNC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)cc1OC 216863851 HDKDPUXAQJDQKW-UHFFFAOYSA-N 490.310 1.609 70 10 JDIE COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 217898456 OMRYHXPMBVUISA-XLIONFOSSA-N 492.525 1.682 70 10 JDIE O=C(NC[C@@H]1CCCN(c2nccs2)C1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 218128958 MHCQARPRQHMMLZ-INIZCTEOSA-N 450.586 1.810 70 10 JDIE CCc1nc(NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)sc1S(=O)(=O)Cl 2036560509 OOQVBALYCCPSRN-UHFFFAOYSA-N 463.946 1.671 70 10 JDIE COc1ccc(CNS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)cc1S(=O)(=O)Cl 703988111 BRPFJDRLJXZXLD-UHFFFAOYSA-N 472.928 1.338 70 10 JDIE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC(S(=O)(=O)F)CC1 2108228889 RAFJGHOBMBIBSL-QGZVFWFLSA-N 450.485 1.104 70 10 JDIE O=S(=O)(c1ccc(F)c(C(F)(F)F)c1)N1CCN(c2cc(-n3cncn3)ncn2)CC1 218678494 GZSQTFXMNHVOCX-UHFFFAOYSA-N 457.413 1.726 70 10 JDIE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)NCC1CN(S(=O)(=O)F)C1 2010541346 SCHWJUDBIUSMFZ-QGZVFWFLSA-N 459.540 1.749 70 10 JDIE COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)CCNS(=O)(=O)c1cccc(F)c1 217907770 XMUWYEFCGROHEJ-QAPCUYQASA-N 468.478 1.855 70 10 JDIE CN(C)CCN(C(=O)Nc1ccccc1I)[C@H]1CCS(=O)(=O)C1 217272963 ZZXYDCYXTYBOOF-LBPRGKRZSA-N 451.330 1.874 70 10 JDIE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)F)CC1 2010543274 IPPSKLDYSBQRLV-RDJZCZTQSA-N 459.540 1.844 70 10 JDIE O=C(c1ccc(I)cc1)N1CCN(c2cc(-n3cncn3)ncn2)CC1 218635848 CSANEERUNVTLRC-UHFFFAOYSA-N 461.267 1.624 70 10 JDIE C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)F)CC1 2010543275 IPPSKLDYSBQRLV-WBVHZDCISA-N 459.540 1.844 70 10 JDIE CC(C)(C)OC(=O)NCCN(CC(=O)NCC1CN(S(=O)(=O)F)C1)Cc1ccccc1 2010543250 IGOBNZADCJFRBS-UHFFFAOYSA-N 458.556 1.276 70 10 JDIE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)NC1CN(S(=O)(=O)F)C1 2248492664 ZVUDLDYIXQRXLB-HNNXBMFYSA-N 459.496 1.028 70 10 JDIE C[SiH](C)[C@]1(n2cc(I)c(O)nc2=O)C[C@H](O)[C@@H](COC(C)(C)C)O1 1614137702 RJGSRQWZPVKDAQ-RWSFTLGLSA-N 468.364 1.197 70 10 JDIE COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)CCNS(=O)(=O)c1ccccc1F 217904138 MZEIMOZEVXQEBD-YOEHRIQHSA-N 468.478 1.855 70 10 JDIE C[S@](=O)CCNC(=O)c1cc(I)cc(S(=O)(=O)Cl)c1F 2169666786 BNVQIDPDAGWSDB-IBGZPJMESA-N 453.682 1.466 70 10 JDIE COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 217898317 OMRYHXPMBVUISA-PXNSSMCTSA-N 492.525 1.682 70 10 JDIE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NCCc1ccc(S(=O)(=O)Cl)cc1 703998619 YWIOKRYZNJIYSP-UHFFFAOYSA-N 470.956 1.762 70 10 JDIE COc1ccc(C(=O)N2CCCN(C(=O)CN3C(=O)c4ccccc4C3=O)CC2)cc1OC 216857961 JIHXVMIGHGDXNF-UHFFFAOYSA-N 451.479 1.675 70 10 JDIE COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1ccc(S(=O)(=O)N(C)C)cc1 217897109 HQCFBRNPJYHBCS-QAPCUYQASA-N 450.488 1.911 70 10 JDIE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NCc1ccc(S(=O)(=O)Cl)cc1 703992072 WRQNRWKIZRLIMI-UHFFFAOYSA-N 456.929 1.720 70 10 JDIE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1 2250014632 BFHGSVLOAPZJRE-IAGOWNOFSA-N 458.556 1.417 70 10 JDIE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)NCC2CN(S(=O)(=O)F)C2)C1 2256772252 PTOYGMXPSXIAON-UHFFFAOYSA-N 471.551 1.703 70 10 JDIE NS(=O)(=O)c1ccc(NC(=O)NCCCN2C(=O)c3ccc(Br)cc3C2=O)cc1 217306432 AFCUDDVQXUCSOX-UHFFFAOYSA-N 481.328 1.904 70 10 JDIE COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1S(=O)(=O)c1ccc2oc(=O)n(C)c2c1 218002992 HVCVBXLDMHUJEW-MLGOLLRUSA-N 450.444 1.654 70 10 JDIE CC(=O)OC[C@H]1O[C@H](Cl)[C@@H](N2C(=O)c3ccccc3C2=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 143437998 YRXSTYGMBJFQAY-ICUGJSFKSA-N 453.831 1.041 70 10 JDIE COc1ccc([C@H](O)CNC(=O)C(=O)Nc2ccc3c(c2)N(S(C)(=O)=O)CCC3)cc1OC 217392898 UGYQNNKVYYJYOY-GOSISDBHSA-N 477.539 1.204 70 10 JDIE CCCn1c(C(=O)N2CCC3(CC2)OC(=O)c2ccccc23)cc2c(=O)n(C)c(=O)n(C)c21 217524692 ZSDUSNDLMUEKDP-UHFFFAOYSA-N 450.495 1.751 70 10 JDIE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(S(=O)(=O)F)CC1 1974394036 BPRRMEPGNMCALQ-GOSISDBHSA-N 472.583 1.807 70 10 JDIE O=S(=O)(N[C@H]1CCN(S(=O)(=O)F)C1)c1cc(Br)sc1Br 2287090596 RKPICOULSDEAOE-YFKPBYRVSA-N 472.177 1.840 70 10 JDIE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCC[C@@H](S(=O)(=O)F)C1 2364200232 QGTUXKAYRNPNJX-OAHLLOKOSA-N 460.549 1.937 70 10 JDIE O=C(CN1C(=O)c2ccc(Br)cc2C1=O)N1CCC(NC(=O)C(F)(F)F)CC1 216744549 GJPVZNLENOIINE-UHFFFAOYSA-N 462.222 1.715 70 10 JDIE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCC[C@H](S(=O)(=O)F)C1 2364200231 QGTUXKAYRNPNJX-HNNXBMFYSA-N 460.549 1.937 70 10 JDIE COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)CNS(=O)(=O)c1cc(C)ccc1C 217900537 STTHYYLPVDBSEK-AEFFLSMTSA-N 464.515 1.942 70 10 JDIE COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)CNS(=O)(=O)c1cc(C)ccc1C 217900403 STTHYYLPVDBSEK-SJLPKXTDSA-N 464.515 1.942 70 10 JDIE O=C(NCCCN1C(=O)c2ccccc2C1=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 217306348 APBQECASQWRBFI-UHFFFAOYSA-N 456.524 1.389 70 10 JDIE COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)CCNS(=O)(=O)c1cccc(F)c1 217907682 XMUWYEFCGROHEJ-MAUKXSAKSA-N 468.478 1.855 70 10 JDIE CC(C)(C)OC(=O)NC1(CC(=O)NC2CN(S(=O)(=O)F)C2)CCN(Cc2ccccc2)CC1 2268803476 GOLWFPZJNUZMCO-UHFFFAOYSA-N 484.594 1.951 70 10 JDIE O=C(Nc1cnn(C[C@@H]2COc3ccccc3O2)c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 218268363 AVGSAGIFPZBQDH-LJQANCHMSA-N 484.534 1.996 70 10 JDIE O=C(CN1C(=O)c2ccc(Br)cc2C1=O)NC1CCN(C(=O)C(F)(F)F)CC1 216744619 QFVZOXXLKAANKS-UHFFFAOYSA-N 462.222 1.715 70 10 JDIE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC(CCS(=O)(=O)F)C1 2364201646 IYXHHXUGLMZDTO-UHFFFAOYSA-N 460.549 1.794 70 10 JDIE C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1CN(S(=O)(=O)F)C1 2010544335 NRIQAJPMOURQDQ-PBHICJAKSA-N 459.540 1.747 70 10 JDIE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@H](S(=O)(=O)F)C1 2108227403 GZDJDTWNRYSFBW-SJCJKPOMSA-N 450.485 1.104 70 10 JDIE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(S(=O)(=O)F)C1 2250014633 BFHGSVLOAPZJRE-IRXDYDNUSA-N 458.556 1.417 70 10 JDIE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N[C@H]1COc2ccc(S(=O)(=O)Cl)cc21 703992158 XVDZEEGQILCTFJ-HNNXBMFYSA-N 470.912 1.263 70 10 JDIE C#Cc1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2cccc(S(=O)(=O)F)c2)c1 848944326 DGBYOAFKAZFDJW-UHFFFAOYSA-N 466.512 1.380 70 10 JDIE COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)CNS(=O)(=O)c1ccccc1F 217903968 ZARRMCRCMCMFMD-CJNGLKHVSA-N 454.451 1.465 70 10 JDIE COc1ccc(NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)cc1S(=O)(=O)Cl 703992284 ZIIJXDVNQRFTNH-UHFFFAOYSA-N 458.901 1.661 70 10 JDIE COCCCN1C(=O)c2ccc(C(=O)N3CCC(CNC(=O)C(F)(F)F)CC3)cc2C1=O 216728384 XTOCITFEDZKCGL-UHFFFAOYSA-N 455.433 1.850 70 10 JDIE C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N=c1[nH]n(C)cc1S(=O)(=O)F 2060817523 FWANATIEFBCQRT-CJNGLKHVSA-N 470.523 1.937 70 10 JDIE O=C(CN1C(=O)c2ccc(Br)cc2C1=O)N1CCCN(C(=O)C(F)(F)F)CC1 216716157 ZGWVSTBUSQQDJF-UHFFFAOYSA-N 462.222 1.668 70 10 JDIE CCCn1c(C(=O)N2C[C@@H](Oc3ccccc3F)C[C@H]2C(=O)OC)cc2c(=O)n(C)c(=O)n(C)c21 217921454 JUDVRXJCRDZFNI-KSSFIOAISA-N 486.500 1.423 70 10 JDIE COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 217898396 OMRYHXPMBVUISA-FXAWDEMLSA-N 492.525 1.682 70 10 JDIE CC(C)(C)OC(=O)N1CCN(Cc2cc(OS(=O)(=O)F)cc(N3CCNCC3)c2)CC1 1887520450 QBTUUWJMQBNDJD-UHFFFAOYSA-N 458.556 1.742 70 10 JDIE CCOC(=O)N1CCN(C(=O)NCCCN2C(=O)c3ccc(Br)cc3C2=O)CC1 217306708 NUERIXMMVMPCLW-UHFFFAOYSA-N 467.320 1.919 70 10 JDIE CCCn1c(C(=O)N2C[C@H](Oc3ccccc3F)C[C@H]2C(=O)OC)cc2c(=O)n(C)c(=O)n(C)c21 217921388 JUDVRXJCRDZFNI-KDOFPFPSSA-N 486.500 1.423 70 10 JDIE COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)CNS(=O)(=O)c1cccc(C)c1 217906066 DHWQPGRFABFQFE-YJBOKZPZSA-N 450.488 1.634 70 10 JDIE CC(C)(C)OC(=O)N[C@@]1(C(=O)NC2CCN(S(=O)(=O)F)CC2)CCN(Cc2ccccc2)C1 2124720300 VBMJSIIGXKFLKP-QFIPXVFZSA-N 484.594 1.951 70 10 JDIE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)NC2CN(S(=O)(=O)F)C2)C1 2256748909 GTJUWUQTTPXTFS-NRFANRHFSA-N 471.551 1.845 70 10 JDIE CC(=O)OC[C@@H]1O[C@H](Cl)[C@@H](N2C(=O)c3ccccc3C2=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 22054442 YRXSTYGMBJFQAY-AVEIZBFRSA-N 453.831 1.041 70 10 JDIE COc1ccc(C(=O)N2CCN(C(=O)[C@H](C)N3C(=O)c4ccccc4C3=O)CC2)cc1OC 216855816 ZDIISUWMPUZJGP-HNNXBMFYSA-N 451.479 1.673 70 10 JDIE COCCCN1C(=O)c2ccc(C(=O)NCC3CCN(C(=O)C(F)(F)F)CC3)cc2C1=O 216728453 VYOFKFBZEQXDTA-UHFFFAOYSA-N 455.433 1.850 70 10 JDIE O=C(NCCCN1C(=O)c2ccc(Br)cc2C1=O)NCCN1C(=O)CSC1=O 217306703 LUSWDYZDSHRKKG-UHFFFAOYSA-N 469.317 1.430 70 10 JDIE O=C([C@H]1CCCCN1c1ccc(-c2ccco2)nn1)N1CCN(c2cc(-n3cncn3)ncn2)CC1 218645607 BRDCJINHJBPAGM-LJQANCHMSA-N 486.540 1.815 70 10 JDIE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@H](S(=O)(=O)F)C1 2108227405 GZDJDTWNRYSFBW-YVEFUNNKSA-N 450.485 1.104 70 10 JDIE COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)CNS(=O)(=O)c1cccc(C)c1 217905878 DHWQPGRFABFQFE-MAUKXSAKSA-N 450.488 1.634 70 10 JDIE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)Nc1ccc(S(=O)(=O)Cl)cc1[N+](=O)[O-] 703992182 YDNKCNWIUZWDNV-UHFFFAOYSA-N 473.872 1.560 70 10 JDIE Cn1cc(S(=O)(=O)F)c(=NC(=O)C2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)[nH]1 2181142488 XBKYJFXMSHHLHM-UHFFFAOYSA-N 495.577 1.998 70 10 JDIE NS(=O)(=O)c1ccc(CNC(=O)NCCCN2C(=O)c3ccc(Br)cc3C2=O)cc1 217306518 XUSXZDOIVTZENW-UHFFFAOYSA-N 495.355 1.582 70 10 JDIE Cn1nc(-c2ccc(F)c(F)c2)cc1C(=O)N1CCN(c2cc(-n3cncn3)ncn2)CC1 218645124 JKYCNORZAVNOIV-UHFFFAOYSA-N 451.441 1.698 70 10 JDIE CCN(C(=O)NCCCN1C(=O)c2ccc(Br)cc2C1=O)[C@@H]1CCS(=O)(=O)C1 217306591 VNVNZWJHLQYJBO-CYBMUJFWSA-N 472.361 1.654 70 10 JDIE COCCS(=O)(=O)Nc1cc(C)c(S(=O)(=O)Cl)cc1I 2240625753 JZRNFQRCDPVKQX-UHFFFAOYSA-N 453.707 1.915 70 10 JDIE Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H]3CC(=O)N(Cc4ccccc4)C3)CC2)cc1 217287790 HLQAVLSOUIBBBP-FQEVSTJZSA-N 456.568 1.812 70 10 JDIE O=C(NCCCN1CCOCC1)NCCCN1C(=O)c2ccc(Br)cc2C1=O 217306507 DUYNTHKCZWLZAS-UHFFFAOYSA-N 453.337 1.457 70 10 JDIE COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)CNS(=O)(=O)c1cccc(F)c1 217902651 DZBDFVZLJYYYBU-PBHICJAKSA-N 454.451 1.465 70 10 JDIE O=S(=O)(c1ccccc1OC(F)(F)F)N1CCN(c2cc(-n3cncn3)ncn2)CC1 218683529 GTQXUFGQDGINFD-UHFFFAOYSA-N 455.422 1.467 70 10 JDIE O=C(NCC1CN(S(=O)(=O)F)C1)c1ccc(I)c(Br)c1 1974059323 KVIPGBJKGFSXIJ-UHFFFAOYSA-N 477.093 1.930 70 10 JDIE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(S(=O)(=O)F)C1 2250014634 BFHGSVLOAPZJRE-SJORKVTESA-N 458.556 1.417 70 10 JDIE COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)CNS(=O)(=O)c1cc(C)ccc1C 217900618 STTHYYLPVDBSEK-WMZOPIPTSA-N 464.515 1.942 70 10 JDIE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)NCCCc1ccc(S(=O)(=O)Cl)cc1 703990711 NMYZFOROJKKHOP-UHFFFAOYSA-N 470.956 1.762 70 10 JDIE Cn1cc(S(=O)(=O)F)c(NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)n1 1923154072 CZKBCPYMGJZMDJ-UHFFFAOYSA-N 458.493 1.287 70 10 JDIE COc1ccc(C(=O)N2CCN(C(=O)[C@@H](C)N3C(=O)c4ccccc4C3=O)CC2)cc1OC 216855793 ZDIISUWMPUZJGP-OAHLLOKOSA-N 451.479 1.673 70 10 JDIE COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)CNS(=O)(=O)c1ccccc1F 217904025 ZARRMCRCMCMFMD-CZUORRHYSA-N 454.451 1.465 70 10 JDIE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N=c1[nH]n(C)cc1S(=O)(=O)F 2060817524 FWANATIEFBCQRT-CZUORRHYSA-N 470.523 1.937 70 10 JDIE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)Nc1ccc(S(=O)(=O)F)nc1 2166521588 KXQPALOUAOWVCR-UHFFFAOYSA-N 455.489 1.948 70 10 JDIE O=C(NCCN1C(=O)c2ccccc2C1=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 217282188 JEHLKTJPZFXPIZ-UHFFFAOYSA-N 492.941 1.779 70 10 JDIE COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)CNS(=O)(=O)c1ccccc1F 217903803 ZARRMCRCMCMFMD-BBRMVZONSA-N 454.451 1.465 70 10 JDIE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H]1CCN(S(=O)(=O)F)C1 2364201195 CPKNZSNMLLBMTG-AWEZNQCLSA-N 461.537 1.051 70 10 JDIE O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCN(c2cc(-n3cncn3)ncn2)CC1 218620236 KLYBVXKDWUOPPU-UHFFFAOYSA-N 482.570 1.194 70 10 JDIE COc1ccc([C@H](O)CNC(=O)C(=O)Nc2cc3c4c(c2)CCC(=O)N4CCC3)cc1OC 217393076 SSUCVKYFFDJFTJ-GOSISDBHSA-N 453.495 1.718 70 10 JDIE CC(C)(C)OC(=O)NC1(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)CCN(Cc2ccccc2)CC1 2271496722 ABTDALRMQZLUQG-SFHVURJKSA-N 484.594 1.951 70 10 JDIE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)N1CCN(S(=O)(=O)F)CC1 1974014639 LBNRXPPDKGDYBC-QGZVFWFLSA-N 459.540 1.845 70 10 JDIE COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)CNS(=O)(=O)c1cccc(Cl)c1 217902396 HCRHUJUQJPJUNB-RHSMWYFYSA-N 470.906 1.979 70 10 JDIE COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)CNS(=O)(=O)c1cccc(C)c1 217905821 DHWQPGRFABFQFE-CRAIPNDOSA-N 450.488 1.634 70 10 JDIE C[C@H](NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O)c1ccc(S(=O)(=O)Cl)s1 703991502 VAFBYIDMWTXKBD-JTQLQIEISA-N 462.958 1.952 70 10 JDIE COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)CNS(=O)(=O)c1c(F)cccc1F 217907937 SNHJACGFPYXUMV-LRDDRELGSA-N 472.441 1.604 70 10 JDIE COCCCN1C(=O)c2ccc(C(=O)NCCNC(=O)c3ccc(OC)c(OC)c3)cc2C1=O 216863431 AYZGAVIXVGBONU-UHFFFAOYSA-N 469.494 1.496 70 10 JDIE O=C([C@@H]1CCCCN1c1ccc(-c2ccco2)nn1)N1CCN(c2cc(-n3cncn3)ncn2)CC1 218645689 BRDCJINHJBPAGM-IBGZPJMESA-N 486.540 1.815 70 10 JDIE COc1ccc(S(=O)(=O)Cl)cc1CNS(=O)(=O)CCN1C(=O)c2ccccc2C1=O 703990673 MQFAOKGOBOZCCU-UHFFFAOYSA-N 472.928 1.338 70 10 JDIE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1CN(S(=O)(=O)F)C1 2010544343 NRIQAJPMOURQDQ-YOEHRIQHSA-N 459.540 1.747 70 10 JDIE Cc1cc(NS(=O)(=O)C2COC2)c(I)cc1S(=O)(=O)Cl 2240635636 JDLBOAGHQZCKDR-UHFFFAOYSA-N 451.691 1.668 70 10 JDIE O=C(NC1CN(S(=O)(=O)F)C1)c1cc(I)ccc1Br 2268797703 POXVOEIWYIDWAZ-UHFFFAOYSA-N 463.066 1.682 70 10 JDIE COc1ccc(C(=O)NC2CCN(C(=O)CN3C(=O)c4ccccc4C3=O)CC2)cc1OC 216888175 GSUZLRXREUDNDE-UHFFFAOYSA-N 451.479 1.721 70 10 JDIE CN(C(=O)NCCCN1C(=O)c2ccc(Br)cc2C1=O)[C@H]1CCS(=O)(=O)C1 217306594 TWKWLMTYDHNYRE-LBPRGKRZSA-N 458.334 1.264 70 10 JDIE COCCCN1C(=O)c2ccc(NC(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)cc2C1=O 217281075 NUPRGGPIUXASAI-UHFFFAOYSA-N 486.550 1.858 70 10 JDIE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)NC1CCN(S(=O)(=O)F)CC1 1974402507 OERROLBPIQMYPB-KRWDZBQOSA-N 487.550 1.808 70 10 JDIE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)NCC1CN(S(=O)(=O)F)C1 2010541345 SCHWJUDBIUSMFZ-KRWDZBQOSA-N 459.540 1.749 70 10 JDIE O=C(NCCCN1C(=O)c2ccccc2C1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 217306296 LLEDAUIFPBNOBB-UHFFFAOYSA-N 450.495 1.929 70 10 JDIE O=C(NCC1CN(S(=O)(=O)F)C1)c1cc(I)ccc1Br 1974059346 LDXDLPGYUXQQKH-UHFFFAOYSA-N 477.093 1.930 70 10 JDIE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N=c1[nH]n(C)cc1S(=O)(=O)F 2060818568 RDNJHDZJUQZJDC-OAHLLOKOSA-N 469.539 1.464 70 10 JDIE COc1cc(NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)ccc1S(=O)(=O)Cl 703992129 XHCFXNVIJQPYGN-UHFFFAOYSA-N 458.901 1.661 70 10 JDIE O=C(NCC1CN(S(=O)(=O)F)C1)c1ccc(Br)cc1I 1974060689 WDDSVNNYNRZHMZ-UHFFFAOYSA-N 477.093 1.930 70 10 JDIE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)N1CCN(S(=O)(=O)F)CC1 1974000878 IMWUZRQBUHLOGC-INIZCTEOSA-N 473.523 1.372 70 10 JDIE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)C1 2258974837 AQROYPRJIJHXST-KRWDZBQOSA-N 471.551 1.845 70 10 JDIE COc1ccc(C(=O)N2CCC(CNC(=O)CN3C(=O)c4ccccc4C3=O)CC2)cc1OC 216869524 PHJKDIPMODDLHD-UHFFFAOYSA-N 465.506 1.968 70 10 JDIE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)N1CC[C@@H](S(=O)(=O)F)C1 2010543283 IUEDKVPOBCXGMH-CVEARBPZSA-N 458.508 1.913 70 10 JDIE O=S(=O)(NC1CN(S(=O)(=O)F)C1)c1ccc(Br)cc1Br 2284126595 SLNDIBMPBDELGI-UHFFFAOYSA-N 452.121 1.388 70 10 JDIE O=S(=O)(N[C@@H]1CCN(S(=O)(=O)F)C1)c1cc(Br)sc1Br 2287090593 RKPICOULSDEAOE-RXMQYKEDSA-N 472.177 1.840 70 10 JDIE COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)CCNS(=O)(=O)c1c(F)cccc1F 217908518 VNULFKXFXTUTSB-CXAGYDPISA-N 486.468 1.994 70 10 JDIE O=S(=O)(F)N1CCN(S(=O)(=O)c2cc(Br)sc2Br)CC1 2163651139 SDLNWMCLYWPZOC-UHFFFAOYSA-N 472.177 1.794 70 10 JDIE COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)CNS(=O)(=O)c1ccccc1F 217903904 ZARRMCRCMCMFMD-XJKSGUPXSA-N 454.451 1.465 70 10 JDIE CC(C)(C)OC(=O)NCCN(CC(=O)N1CCN(S(=O)(=O)F)CC1)Cc1ccccc1 1974014001 CYMOTKUUULZKOU-UHFFFAOYSA-N 458.556 1.372 70 10 JDIE CC(C)(C)N1C[C@@H](NC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CC1=O 217285769 BCVCZIQNPNNBGN-ZDUSSCGKSA-N 458.968 1.882 70 10 JDIE CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCNCC3)cc(OS(=O)(=O)F)c2)CC1 1887518647 URIHBIUVZYXURR-UHFFFAOYSA-N 458.556 1.742 70 10 JDIE CC(=O)N1CCN(Cc2ccccc2NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)CC1 865209978 MYJDZGSWCSJRPN-UHFFFAOYSA-N 455.533 1.810 70 10 JDIE CC(C)(C)N1C[C@H](NC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CC1=O 217285767 BCVCZIQNPNNBGN-CYBMUJFWSA-N 458.968 1.882 70 10 JDIE Cc1cc(Br)c(S(=O)(=O)NCCNS(C)(=O)=O)cc1Br 159550180 PTTOHIVNOXJRLU-UHFFFAOYSA-N 450.174 1.348 70 10 JDIE COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)CNS(=O)(=O)c1c(F)cccc1F 217908175 SNHJACGFPYXUMV-MLGOLLRUSA-N 472.441 1.604 70 10 JDIE COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)CCNS(=O)(=O)c1ccccc1F 217904214 MZEIMOZEVXQEBD-WMLDXEAASA-N 468.478 1.855 70 10 JDIE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)Nc1c(F)cc(S(=O)(=O)Cl)cc1F 703989275 HBLXHKKUVIYYKD-UHFFFAOYSA-N 464.855 1.930 70 10 JDIE COc1cc(-c2cc(C(=O)N3CCN(c4cc(-n5cncn5)ncn4)CC3)[nH]n2)cc(OC)c1OC 218638621 QPTMIUKCOOEKSU-UHFFFAOYSA-N 491.512 1.436 70 10 JDIE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)NCC1CN(S(=O)(=O)F)C1 2060818053 LSROHIGJLAZINS-INIZCTEOSA-N 473.523 1.276 70 10 JDIE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NCCc1ccc(S(=O)(=O)Cl)s1 703991228 QHCUHXMACLKZHK-UHFFFAOYSA-N 476.985 1.824 70 10 JDIE Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCCN3C(=O)c4ccccc4C3=O)CC2)cc1 217306349 UYHDACNUWBYLDW-UHFFFAOYSA-N 470.551 1.697 70 10 JDIE CC(C)(C)OC(=O)NCCN(CC(=O)N[C@H]1CCN(S(=O)(=O)F)C1)Cc1ccccc1 2250013644 HPQYCYUTRBCORF-KRWDZBQOSA-N 458.556 1.418 70 10 JDIE CC(C)(C)OC(=O)N[C@]1(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)CCN(Cc2ccccc2)C1 2258977933 GRVJVPYTAJUMQP-LAUBAEHRSA-N 470.567 1.561 70 10 JDIE CCOC(=O)Oc1ccc(C(=O)NCCCNC(=O)CN2C(=O)c3ccccc3C2=O)cc1 216700454 JHBKILTUBHWIJP-UHFFFAOYSA-N 453.451 1.754 70 10 JDIE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)NC2CN(S(=O)(=O)F)C2)C1 2256748910 GTJUWUQTTPXTFS-OAQYLSRUSA-N 471.551 1.845 70 10 JDIE COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)CNS(=O)(=O)c1cccc(Cl)c1 217902322 HCRHUJUQJPJUNB-PBHICJAKSA-N 470.906 1.979 70 10 JDIE O=C(CN1C(=O)c2ccc(Br)cc2C1=O)N1CCC(CNC(=O)C(F)(F)F)CC1 216734821 KSPLHEITBVCQMW-UHFFFAOYSA-N 476.249 1.962 70 10 JDIE CC(=O)N1CCN(Cc2ccc(NS(=O)(=O)c3cccc(S(=O)(=O)F)c3)cc2)CC1 848947298 FZVQYQVEEKZNKL-UHFFFAOYSA-N 455.533 1.810 70 10 JDIE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1CN(S(=O)(=O)F)C1 1974059583 NRIQAJPMOURQDQ-WMLDXEAASA-N 459.540 1.747 70 10 JDIE O=[N+]([O-])c1cc(I)c(F)cc1S(=O)(=O)CCS(=O)(=O)Cl 116732551 FHYRYUVQTIWKGD-UHFFFAOYSA-N 457.626 1.681 70 10 JDIE CCOc1ccc(-c2cc(C(=O)N3CCN(c4cc(-n5cncn5)ncn4)CC3)n(C)n2)cc1 218645013 BJGLJDXAXKYECD-UHFFFAOYSA-N 459.514 1.819 70 10 JDIE Cn1cc(S(=O)(=O)F)c(=NC(=O)[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)[nH]1 2010545376 UWUDRJCAQKLPDA-CQSZACIVSA-N 456.496 1.549 70 10 JDIE O=C(CN1C(=O)c2ccc(Br)cc2C1=O)NCC1CCN(C(=O)C(F)(F)F)CC1 216734888 MTGBWYHPYGQPOG-UHFFFAOYSA-N 476.249 1.962 70 10 JDIE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)N1CC[C@H](S(=O)(=O)F)C1 2010543284 IUEDKVPOBCXGMH-HOTGVXAUSA-N 458.508 1.913 70 10 JDIE CC(C)(C)OC(=O)N[C@@]1(C(=O)NC2CN(S(=O)(=O)F)C2)CCN(Cc2ccccc2)C1 2248494750 BOKCSYLBSBNARE-FQEVSTJZSA-N 456.540 1.171 70 10 JDIE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC(S(=O)(=O)F)CC1 2108228888 RAFJGHOBMBIBSL-KRWDZBQOSA-N 450.485 1.104 70 10 JDIE C[C@@H](C(=O)N1CCN(c2cc(-n3cncn3)ncn2)CC1)n1nc(-c2cccs2)ccc1=O 218636683 RSHBCEHMIJPTIZ-HNNXBMFYSA-N 463.527 1.252 70 10 JDIE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@@H](S(=O)(=O)F)C1 2108227402 GZDJDTWNRYSFBW-PXAZEXFGSA-N 450.485 1.104 70 10 JDIE COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)CNS(=O)(=O)c1cccc(Cl)c1 217902247 HCRHUJUQJPJUNB-WMLDXEAASA-N 470.906 1.979 70 10 JDIE