smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H]1CCCN(C)C1 216918565 ILEKHUFRXVKNSA-BBRMVZONSA-N 332.444 2.755 70 40 EFIB CC[C@H](NC(=O)c1ccccc1OC)c1ccc(S(C)(=O)=O)cc1 218169935 LVPNFADRNYIVNJ-INIZCTEOSA-N 347.436 2.980 70 40 EFIB COc1ccc(-c2noc(C(C)(C)C)n2)cc1S(=O)(=O)Cl 59826060 IEEQHPNTEPURPO-UHFFFAOYSA-N 330.793 2.970 70 40 EFIB COc1cccc2cc(C(=O)N[C@@H]3CCN(c4ccccn4)C3)oc12 161218199 OYICJDVMKGEVAO-CQSZACIVSA-N 337.379 2.845 70 40 EFIB Cc1ccc(Cl)cc1N1CCN(C(=O)[C@H]2CCCN(C)C2)CC1 216908700 CTTXOUQOKNGJLH-HNNXBMFYSA-N 335.879 2.639 70 40 EFIB O=C1CS[C@@H](c2cn(Cc3ccccc3)nn2)N1Cc1ccco1 216683972 IXNOXZBJIVHFCM-KRWDZBQOSA-N 340.408 2.694 70 40 EFIB COc1ccc(OS(=O)(=O)C(F)(F)F)c(Br)c1 247872597 FFBRWOQTYAXTRR-UHFFFAOYSA-N 335.097 2.686 70 40 EFIB Cc1ccc(S(=O)(=O)[C@H]2[C@H](C(N)=S)[C@@H]2c2cccc(F)c2)cc1 218644833 YUWIKAQHOVVEKM-ARFHVFGLSA-N 349.452 2.976 70 40 EFIB Cc1cc(C[C@H](C)NC(=O)Nc2cccc(-c3nccn3C)c2)n[nH]1 159564674 SFCZPNUCFFFGMJ-LBPRGKRZSA-N 338.415 2.871 70 40 EFIB COc1ccc2c(c1)[C@@H](NC(=O)C1CCN(C)CC1)CC(C)(C)O2 216924447 PMPKRCCGFQVBIR-INIZCTEOSA-N 332.444 2.755 70 40 EFIB COc1ccccc1N1CCO[C@@H]1c1cn(Cc2ccccc2)nn1 216762344 PPPZUYGISCPNKZ-LJQANCHMSA-N 336.395 2.870 70 40 EFIB COc1ccc(OCC(=O)n2c(C)c(C(N)=O)c3ccccc32)cc1 216869795 HRCPUABFPICYID-UHFFFAOYSA-N 338.363 2.776 70 40 EFIB C[C@@](O)(CNC(=O)c1cc(C2CC2)on1)c1cc2ccccc2o1 217992411 DMUDTNSWKOXRHH-GOSISDBHSA-N 326.352 2.936 70 40 EFIB COc1ccc(-c2noc(C(F)(F)F)n2)cc1S(=O)(=O)Cl 100003375 FINXQNXGCFSEJJ-UHFFFAOYSA-N 342.682 2.692 70 40 EFIB O=C(c1ccc2[nH]ccc2c1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 217579682 XOIAWGFRUAKWPI-XJKSGUPXSA-N 333.391 2.589 70 40 EFIB Cn1cccc1[C@@H](O)CCNC(=O)c1cc(Br)cs1 217939120 RAPYTVJPPUGTDO-NSHDSACASA-N 343.246 2.703 70 40 EFIB CN1C(=O)CS[C@@H]1c1cn(Cc2cccc(C(F)(F)F)c2)nn1 216752710 XTDOBSAWZOBJQJ-CYBMUJFWSA-N 342.346 2.549 70 40 EFIB CCOc1ccc(S(=O)(=O)Cl)cc1-c1noc(C2CC2)n1 59825946 OTXCWJZQIZNFHP-UHFFFAOYSA-N 328.777 2.940 70 40 EFIB CCOc1ccc(CCCNC(=O)[C@H]2COc3ccccc3O2)cc1 218298529 QSVJDPKUIQGOLH-LJQANCHMSA-N 341.407 2.974 70 40 EFIB CNS(=O)(=O)c1cc(-c2nc(-c3cccc(Cl)c3)no2)co1 161358086 BPYDNNIEAVNHOZ-UHFFFAOYSA-N 339.760 2.558 70 40 EFIB Fc1ccccc1Cn1cc([C@H]2OCCN2Cc2ccccc2)nn1 216772549 OEIQMIFHSZHZFP-LJQANCHMSA-N 338.386 2.997 70 40 EFIB Cc1ccc(S(=O)(=O)[C@H]2[C@H](C(N)=S)[C@@H]2c2ccccc2)cc1 218053963 NFAJUOPBDPYOSC-ARFHVFGLSA-N 331.462 2.837 70 40 EFIB CCOc1ccccc1Nc1cc(N2CCN(C)CC2)nc(C)n1 216849729 OWFNXCGFGNQHDE-UHFFFAOYSA-N 327.432 2.679 70 40 EFIB Fc1ccc(Cn2cc([C@@H]3OCCN3Cc3ccco3)nn2)cc1 216780241 JXOULABNVDKPDF-KRWDZBQOSA-N 328.347 2.590 70 40 EFIB O=S(=O)(c1cc(F)cc(F)c1)N1CCOc2cccc(F)c21 160678089 CRWONIKETUTFPE-UHFFFAOYSA-N 329.299 2.692 70 40 EFIB COC(=O)CS[C@@H]1CCN(C(=O)CCc2ccc(F)c(C)c2)C1 217561739 QAGZTOULXMHJNN-CQSZACIVSA-N 339.432 2.574 70 40 EFIB Cc1cc(NC(=O)NCc2ccc(N)cc2)ccc1S(=O)(=O)F 104158736 ASKSOGJFCOUEMP-UHFFFAOYSA-N 337.376 2.557 70 40 EFIB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](C(N)=S)[C@@H]2c2ccccc2)cc1 218054027 NFAJUOPBDPYOSC-JYJNAYRXSA-N 331.462 2.837 70 40 EFIB COc1ccc(C(=O)NC[C@H]2CCCN(c3nccs3)C2)cc1 218115551 IILSQBFVPKNMQX-CYBMUJFWSA-N 331.441 2.798 70 40 EFIB CCS(=O)(=O)N1CCC[C@H](c2nnc(-c3ccc(C)cc3)o2)C1 216648117 QSTVCOZLTSOMIT-AWEZNQCLSA-N 335.429 2.574 70 40 EFIB COc1ccc2c(c1)CCC[C@@]2(O)CNC(=O)c1ccc(F)cc1F 218006770 LHOWIODZDPKPSK-LJQANCHMSA-N 347.361 2.927 70 40 EFIB CCS(=O)(=O)N1CCC[C@H](c2nnc(-c3ccccc3C)o2)C1 216645923 AQUHRZWTMIHGSF-ZDUSSCGKSA-N 335.429 2.574 70 40 EFIB COC(=O)CS[C@@H]1CCN(C(=O)/C=C/c2ccccc2Cl)C1 217563727 OSYBRAQPDFFPGX-KTRBRXNASA-N 339.844 2.860 70 40 EFIB O=C(CCc1ccccc1F)NC[C@H](O)c1ccc2c(c1)CCO2 217585113 PXZPKOAMDLIZPS-KRWDZBQOSA-N 329.371 2.543 70 40 EFIB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](C(N)=S)[C@@H]2c2cccc(F)c2)cc1 218644913 YUWIKAQHOVVEKM-JYJNAYRXSA-N 349.452 2.976 70 40 EFIB COCCN1C(=O)CS[C@@H]1c1ccn(-c2ccc(OC)cc2)c1 216679583 NWQBCIUZPXKGHA-QGZVFWFLSA-N 332.425 2.706 70 40 EFIB O=C(NCCSC1CCOCC1)C1(c2ccccc2)CCOCC1 217702283 ZRKLUWBUYKDXKS-UHFFFAOYSA-N 349.496 2.763 70 40 EFIB COc1ccccc1CCCNC(=O)[C@H]1COc2ccccc2O1 218297891 KBGJZTRFFVTGLM-GOSISDBHSA-N 327.380 2.584 70 40 EFIB NC(=S)[C@H]1[C@@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc(F)cc1 218642805 JQUJYVJBBAFIAA-ZNMIVQPWSA-N 335.425 2.668 70 40 EFIB COc1ccc(S(=O)(=O)Cl)cc1NC(=O)c1ccccc1 59095504 VMFWHDOAVHXMDR-UHFFFAOYSA-N 325.773 2.875 70 40 EFIB O=C1[C@H]2[C@@H]3c4ccccc4[C@@H]2[C@H](c2ccccc23)N1S(=O)(=O)Cl 101138810 JFIYFUBMTDGTKA-UGUYLWEFSA-N 345.807 2.912 70 40 EFIB COc1ccc(OCC(=O)N[C@@H](C)COc2ccc(OC)cc2)cc1 217839727 WZFOVVAZODMPFK-AWEZNQCLSA-N 345.395 2.666 70 40 EFIB O=C(NCC[C@@H](O)C1CCOCC1)c1cc(Cl)ccc1Cl 217919731 YYXLWMDNWBUBCK-CQSZACIVSA-N 332.227 2.901 70 40 EFIB Cc1cc(S(=O)(=O)NCC[C@@H](O)c2ccsc2)ccc1F 217535688 CJVFFOMXEXDLQW-CQSZACIVSA-N 329.418 2.598 70 40 EFIB NC(=S)[C@@H]1[C@@H](S(=O)(=O)c2ccccc2)[C@H]1c1cccc(F)c1 218644174 MGMQYEPBINZPCI-KKUMJFAQSA-N 335.425 2.668 70 40 EFIB CCOc1ccc(S(=O)(=O)Cl)cc1C(=O)N1CCCCC1 103612860 BTRSSSUCLVNMMU-UHFFFAOYSA-N 331.821 2.639 70 40 EFIB O=C1O[C@]2(CCCN(C(=O)COc3ccccc3)C2)c2ccccc21 217556375 SZLXMXYVTXUUSC-FQEVSTJZSA-N 337.375 2.754 70 40 EFIB O=S(=O)(Cl)c1ccc(Cl)cc1I 97972528 VJUBZEVHIUAKHU-UHFFFAOYSA-N 336.965 2.872 70 40 EFIB O=C(Cc1ccccc1Cl)NCCn1ccnc1-c1ccccn1 217861154 DKTQBARTAQGBJF-UHFFFAOYSA-N 340.814 2.957 70 40 EFIB CCCCOCc1c(S(=O)(=O)Cl)cnn1CC(F)(F)F 408717323 YKEAEWICLXPIHY-UHFFFAOYSA-N 334.747 2.690 70 40 EFIB COc1cc(C(=O)Nc2cccn(CC(F)(F)F)c2=O)ccc1C 159730794 FXLAANOUWDZXPB-UHFFFAOYSA-N 340.301 2.980 70 40 EFIB CCOc1ccc(S(=O)(=O)Cl)cc1NC(=O)N1CCCC1 95698115 ZFEDGDYILYHKOT-UHFFFAOYSA-N 332.809 2.641 70 40 EFIB CN(C)C(=O)Sc1c(Cl)cc(S(=O)(=O)F)cc1[N+](=O)[O-] 104162068 IRRSAOSIPIZJKX-UHFFFAOYSA-N 342.757 2.680 70 40 EFIB CCN(CC)C(=O)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C 216890556 AWZREJLNCHLNFP-UHFFFAOYSA-N 344.436 2.974 70 40 EFIB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](C(N)=S)[C@@H]2c2ccc(F)cc2)cc1 218643652 GPOXIWHCQQUSOG-HRCADAONSA-N 349.452 2.976 70 40 EFIB Cc1nccn1-c1ccc(CNC(=O)CC2CCN(C)CC2)cc1 216901244 ZSGJQNISKMJRJO-UHFFFAOYSA-N 326.444 2.529 70 40 EFIB COc1ccc(NC(=O)c2cc(OC)c(OC)cc2N)cc1OC 217366595 XFKPADLVEJBXQM-UHFFFAOYSA-N 332.356 2.556 70 40 EFIB COc1cc(Br)ccc1OS(=O)(=O)C(F)(F)F 247925594 DJYXFUAYEUFKMA-UHFFFAOYSA-N 335.097 2.686 70 40 EFIB O=C(Nc1cnn(CC2CCOCC2)c1)c1cc(-c2ccco2)[nH]n1 218199803 IGOBARNMEKREGP-UHFFFAOYSA-N 341.371 2.545 70 40 EFIB O=C1C[C@H]2c3ccccc3[C@@H]1[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 217528148 ICRYGXWBPUOMHG-LEUOFYLZSA-N 335.334 2.785 70 40 EFIB O=[N+]([O-])c1ccc(C(F)(F)F)cc1OS(=O)(=O)C(F)(F)F 247361398 ZQKIZTKINQSPKB-UHFFFAOYSA-N 339.169 2.842 70 40 EFIB O=C(COc1ccccc1)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1 217655576 JTYRSSSWZKJUJX-QGZVFWFLSA-N 348.406 2.798 70 40 EFIB CC(=O)Nc1cc(S(=O)(=O)Cl)ccc1OCC(F)(F)F 103635805 UTIRXCJJDLPNAE-UHFFFAOYSA-N 331.699 2.514 70 40 EFIB O=C(c1cc(C2CC2)on1)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 217814121 PHPJDOVOIXEANN-LLVKDONJSA-N 342.399 2.907 70 40 EFIB Cc1c(C(N)=O)c2ccccc2n1C(=O)COc1ccccc1F 216747977 AGYQDJUIHPNMJF-UHFFFAOYSA-N 326.327 2.907 70 40 EFIB Fc1cc(F)c2nccc(NC[C@H]3COC4(CCOCC4)O3)c2c1 160290335 ABRSPDWLMJZQQF-LBPRGKRZSA-N 336.338 2.847 70 40 EFIB O=S(=O)(NCCn1ccc(-c2ccsc2)n1)c1ccccc1 217891843 JUISEGRWYDBUJP-UHFFFAOYSA-N 333.438 2.590 70 40 EFIB COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)c1cc(C2CC2)on1 218008932 WYDRHIDJYLVSSC-IBGZPJMESA-N 342.395 2.515 70 40 EFIB O=S(=O)(NCC[C@H](O)c1ccsc1)c1ccc(Cl)s1 217536359 ISAALQROIFOGPU-VIFPVBQESA-N 337.875 2.865 70 40 EFIB COc1ccccc1N1CCO[C@H]1c1cn(Cc2ccccc2)nn1 216762386 PPPZUYGISCPNKZ-IBGZPJMESA-N 336.395 2.870 70 40 EFIB CCOc1ccc(NC(=O)N[C@@H]2CCN(c3ccccn3)C2)cc1 159745010 KDTDRDVFCDLDDL-OAHLLOKOSA-N 326.400 2.881 70 40 EFIB O=S(=O)(c1ccccc1)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 217819783 WCKXXDLIQPFWTH-CYBMUJFWSA-N 347.440 2.590 70 40 EFIB CCc1ccc(S(=O)(=O)NCC[C@@H](O)c2ccsc2)s1 217535872 HXAMCXRSAQIOEL-GFCCVEGCSA-N 331.484 2.774 70 40 EFIB COc1ccc(C(=O)NC[C@@H](O)c2cn(C)c3ccccc23)cc1F 217575371 YQHHWASPXHEWDN-QGZVFWFLSA-N 342.370 2.789 70 40 EFIB Cc1ccc(S(=O)(=O)Nc2cnn(CC3CCOCC3)c2)cc1C 218241243 RDUXVYRQQUOINM-UHFFFAOYSA-N 349.456 2.727 70 40 EFIB C[C@]12C[C@@H]3C[C@](C)(C1)C[C@@](C(=O)NC(=S)N1CCOCC1)(C3)C2 217494090 ZHGZBTLLWHQADW-MHCYPSPTSA-N 336.501 2.716 70 40 EFIB COc1ccccc1C(=O)N1CCC2(CC1)OC(=O)c1ccccc12 217511558 HRWIFYDIWUYHKD-UHFFFAOYSA-N 337.375 2.997 70 40 EFIB O=S(=O)(Cl)c1ccc2c(c1)CCN2c1cc(Cl)ncn1 226105439 CYUQMXDDTFHJJV-UHFFFAOYSA-N 330.196 2.752 70 40 EFIB COc1ccccc1N1CCC[C@@H](NC2CCC(NC(C)=O)CC2)C1 161508743 CXEOODGWJIBTBQ-DAWZGUTISA-N 345.487 2.701 70 40 EFIB CCN(CC)C(=O)c1ccccc1NC(=O)CC1CCN(C)CC1 216900287 COOLPAOSJBHWKL-UHFFFAOYSA-N 331.460 2.839 70 40 EFIB Cc1noc(C)c1C(=O)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 217814825 IUNGXKZQOOCYAI-GFCCVEGCSA-N 330.388 2.647 70 40 EFIB Cc1ccccc1Cn1cc([C@@H]2N(C)C(=O)c3ccccc3N2C)nn1 216756856 VCIOBTPWMGFANV-IBGZPJMESA-N 347.422 2.855 70 40 EFIB CCO[C@@H]1C[C@H](O)C12CCN(C(=O)N[C@@H](C)c1ccccc1)CC2 161121140 QSDSQLXPGGDMEK-BHYGNILZSA-N 332.444 2.709 70 40 EFIB C[C@@](O)(CNS(=O)(=O)c1cccs1)c1cc2ccccc2o1 217996727 HCLPPTVLCKLBSR-OAHLLOKOSA-N 337.422 2.680 70 40 EFIB CN(C)C(=O)OCCN1C[C@H](O)C[C@@H]1c1ccc(C(F)(F)F)cc1 159505265 RZKOSDXVBAWACS-ZIAGYGMSSA-N 346.349 2.511 70 40 EFIB Cc1ccc(NS(=O)(=O)c2ccc(F)c(S(=O)(=O)F)c2)cc1 1776011251 WIJIJKGWZIHJHR-UHFFFAOYSA-N 347.364 2.593 70 40 EFIB CN(C)C(=O)OCCN1C[C@@H](O)C[C@@H]1c1ccc(C(F)(F)F)cc1 159505386 RZKOSDXVBAWACS-UONOGXRCSA-N 346.349 2.511 70 40 EFIB Cc1ccc(S(=O)(=O)[C@H]2[C@H](C(N)=S)[C@@H]2c2ccc(F)cc2)cc1 218643496 GPOXIWHCQQUSOG-ARFHVFGLSA-N 349.452 2.976 70 40 EFIB Fc1ccc(Cn2cc([C@H]3OCCN3Cc3ccccc3)nn2)cc1 216772652 OVVKFLWIXKTYPW-LJQANCHMSA-N 338.386 2.997 70 40 EFIB COc1ccc(CCC(=O)Nc2cnn(CC3CCOCC3)c2)cc1 218217594 OOULPZKPNXOKLN-UHFFFAOYSA-N 343.427 2.890 70 40 EFIB O=S(=O)(c1ccccc1Br)N1[C@H]2C=CC[C@H]1CC2 218760471 XKTXPCYRQMXPFQ-QWRGUYRKSA-N 328.231 2.931 70 40 EFIB COC(=O)CS[C@@H]1CCN(C(=O)c2cccc3ccc(C)nc23)C1 217562501 XCDJURPLVNTWBM-CQSZACIVSA-N 344.436 2.664 70 40 EFIB CC[C@H](C)n1cc(S(=O)(=O)Cl)c(COCC(F)(F)F)n1 408716674 PPPVGWGXZYLPPF-ZETCQYMHSA-N 334.747 2.861 70 40 EFIB O=C(N[C@@H]1Cc2ccc(S(=O)(=O)Cl)cc2C1)c1ccccc1 257275986 NRWOUQCUNGTNSX-CQSZACIVSA-N 335.812 2.511 70 40 EFIB CCCNC(=O)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C 216890852 GXXVQEJYWWVNEZ-UHFFFAOYSA-N 330.409 2.632 70 40 EFIB CCO[C@H]1C[C@@H](O)C12CCN(C(=O)N[C@@H](C)c1ccccc1)CC2 161121472 QSDSQLXPGGDMEK-UAGQMJEPSA-N 332.444 2.709 70 40 EFIB O=C(CC(F)(F)F)Nc1cnn(C[C@@H]2COc3ccccc3O2)c1 218283497 TUDWSRSJUGFDEL-LLVKDONJSA-N 341.289 2.614 70 40 EFIB COC(=O)CS[C@H]1CCN(C(=O)c2ccc3nccc(C)c3c2)C1 217560806 FHJOZZWYSJDNBU-AWEZNQCLSA-N 344.436 2.664 70 40 EFIB Cc1cccc(NC(=O)C(=O)NCC[C@H](O)c2ccsc2)c1C 217541534 USYMOHOORUHQFX-HNNXBMFYSA-N 332.425 2.543 70 40 EFIB Cc1cc(OC2CCN(C(=O)c3ccccc3F)CC2)cc(=O)n1C 217776017 IIALMRQKJIBHPX-UHFFFAOYSA-N 344.386 2.516 70 40 EFIB O=S(=O)(NCC[C@H](O)c1ccsc1)c1ccc(F)c(Cl)c1 217537699 RMMCHMAQZBNAPM-ZDUSSCGKSA-N 349.836 2.943 70 40 EFIB Cc1cccc(OCC(=O)NC[C@@H]2CCCN(c3nccs3)C2)c1 218118983 LYQWJKZONXJARO-HNNXBMFYSA-N 345.468 2.863 70 40 EFIB CC1=C(C)C(C)=C(S(=O)(=O)Cl)[C@](C)(S(=O)(=O)Cl)C1 97972163 IJTFYWKTERYVBT-SNVBAGLBSA-N 333.258 2.896 70 40 EFIB O=S(=O)(Cl)c1cnc(Br)c(Br)c1 106618991 RWBLLEANUSWWBE-UHFFFAOYSA-N 335.404 2.534 70 40 EFIB in-vitro CCOc1ccc(NC(=O)N[C@H]2CCN(c3ccccn3)C2)cc1 159745148 KDTDRDVFCDLDDL-HNNXBMFYSA-N 326.400 2.881 70 40 EFIB CCCOCc1c(S(=O)(=O)Cl)cnn1CCC(F)(F)F 408716033 IEQHPSXYXJIELR-UHFFFAOYSA-N 334.747 2.690 70 40 EFIB COC(=O)CS[C@@H]1CCN(C(=O)CCc2cccc(Cl)c2)C1 217559818 DANFUYZPQPSZFO-CQSZACIVSA-N 341.860 2.780 70 40 EFIB COc1ccc(C(=O)NC[C@](O)(c2ccccc2)C2CC2)cc1F 217578552 XWGRBTNXJRBKCN-IBGZPJMESA-N 329.371 2.862 70 40 EFIB O=C(Cc1ccc(F)cc1)N1CC(n2cc(-c3ccccc3)nn2)C1 217670830 QXCIPPQRMYDTBC-UHFFFAOYSA-N 336.370 2.710 70 40 EFIB O=C(NCCc1ccccc1)NC[C@H]1CCCN(c2nccs2)C1 218168229 NQEFJWCXHDYNQG-MRXNPFEDSA-N 344.484 2.901 70 40 EFIB O=C(Cc1c[nH]c2ccccc12)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 217578055 VIUYELJOUYDDEF-GOEBONIOSA-N 347.418 2.518 70 40 EFIB O=C(CC(F)(F)F)Nc1cnn(C[C@H]2COc3ccccc3O2)c1 218283429 TUDWSRSJUGFDEL-NSHDSACASA-N 341.289 2.614 70 40 EFIB O=C(COc1ccccc1)NCCn1ccc(-c2ccsc2)n1 217884998 CHTWKCZCUDRJSQ-UHFFFAOYSA-N 327.409 2.807 70 40 EFIB CC(C)N(Cc1ccccn1)C(=O)c1ccc(S(=O)(=O)F)cc1 585126071 NGVJBMXRUSUZAO-UHFFFAOYSA-N 336.388 2.791 70 40 EFIB CN1CCN(c2cc(Nc3ccc(Br)cc3)ncn2)CC1 216846665 KQCDLICAXWFCQU-UHFFFAOYSA-N 348.248 2.735 70 40 EFIB O=C(NCCn1ccc(-c2ccsc2)n1)c1cnc2ccccc2n1 217886971 NNUSIAFWIZAIIL-UHFFFAOYSA-N 349.419 2.985 70 40 EFIB O=[N+]([O-])c1c(OS(=O)(=O)C(F)(F)F)cccc1C(F)(F)F 247347751 VGWIJDWGDNFNCY-UHFFFAOYSA-N 339.169 2.842 70 40 EFIB CC1=C[C@@](C)(S(=O)(=O)Cl)[C@H](S(=O)(=O)Cl)C(C)=C1C 100003968 MPUIPTMUUIRLRL-NXEZZACHSA-N 333.258 2.547 70 40 EFIB O=S(=O)(Cl)c1cn(C(F)F)nc1COCCC(F)(F)F 408715860 FZKCZIJIWPSYSS-UHFFFAOYSA-N 342.673 2.675 70 40 EFIB Cn1nc(-c2ccccc2)cc1C(=O)NCCSC1CCOCC1 217705109 BRHCJIGLRUYRTP-UHFFFAOYSA-N 345.468 2.729 70 40 EFIB Cn1cc(CC(=O)NCCSC2CCOCC2)c2ccccc21 217705331 AYOWIZOVRJZEOT-UHFFFAOYSA-N 332.469 2.749 70 40 EFIB O=C(CNC(=O)c1cc(Cl)cc(C(F)(F)F)c1)NCC1CC1 160131552 BQACEVWFOQCRMD-UHFFFAOYSA-N 334.725 2.615 70 40 EFIB NC(=S)[C@H]1[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 218644310 MGMQYEPBINZPCI-ILXRZTDVSA-N 335.425 2.668 70 40 EFIB CN1CCC(CCNS(=O)(=O)Cc2c(F)cccc2Cl)CC1 216948612 WOSBQCGCMASIRZ-UHFFFAOYSA-N 348.871 2.630 70 40 EFIB CC(C)n1cc(S(=O)(=O)Cl)c(COCCC(F)(F)F)n1 408715348 AYZLAWWOIGPDPT-UHFFFAOYSA-N 334.747 2.861 70 40 EFIB O=C(NC[C@@H]1CCCN(c2nccs2)C1)c1ccc2c(c1)OCO2 218118193 RDSSKNQHOGSHSA-LBPRGKRZSA-N 345.424 2.518 70 40 EFIB O=C(OCc1ccccc1)N1C[C@H]2CC[C@H]1[C@@H](S(=O)(=O)Cl)C2 584905822 GMAWVKNPWBRHIL-IHRRRGAJSA-N 343.832 2.745 70 40 EFIB COc1ccc(NC(=O)[C@H]2CC[C@H](Cn3cnnn3)CC2)cc1Cl 218190408 LWQBKRUIMBHHEH-TXEJJXNPSA-N 349.822 2.780 70 40 EFIB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](C(N)=S)[C@@H]2c2ccccc2)cc1 218053892 NFAJUOPBDPYOSC-XHSDSOJGSA-N 331.462 2.837 70 40 EFIB NC(=S)[C@@H]1[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218642946 JQUJYVJBBAFIAA-KFWWJZLASA-N 335.425 2.668 70 40 EFIB CN1CCN(c2cc(Nc3cccc(C(F)(F)F)c3)ncn2)CC1 216847131 OETSWXDGONOCAG-UHFFFAOYSA-N 337.349 2.991 70 40 EFIB O=C(CSc1ccc(F)cc1)NCCSC1CCOCC1 217701493 HCETYHKAGJZQDV-UHFFFAOYSA-N 329.462 2.946 70 40 EFIB C[C@@H]1C=C(OS(=O)(=O)C(F)(F)F)CCN1C(=O)OC(C)(C)C 113821800 UAAWMAOUVZMVKN-MRVPVSSYSA-N 345.339 2.766 70 40 EFIB COc1ccc(OCC(=O)N[C@@H](C)COc2ccc(C)cc2)cc1 217840432 OFFZJFUQMITRPJ-HNNXBMFYSA-N 329.396 2.966 70 40 EFIB CCOCC(=O)N1CCC[C@H](Cc2nc(-c3ccccc3C)no2)C1 217826720 YNKXZMAIDNCOSK-OAHLLOKOSA-N 343.427 2.863 70 40 EFIB O=S(=O)(F)CCSc1ncnc2sc3c(c12)CCCC3 101456015 WEZLJLZQHVVUBQ-UHFFFAOYSA-N 332.447 2.962 70 40 EFIB Cc1noc(C)c1CC(=O)N1CCC2(CC1)OC(=O)c1ccccc12 217529903 DAJFFFWLXNOJLO-UHFFFAOYSA-N 340.379 2.522 70 40 EFIB O=C(c1ccc2cc[nH]c2c1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 217569081 SNFHPWOGDIJYFC-XJKSGUPXSA-N 333.391 2.589 70 40 EFIB Cc1cc(C)nc(N2CCC[C@H](C(=O)NC[C@H]3C[C@@H]4C=C[C@H]3C4)C2)n1 218076296 KCCDVTQUXCGTRR-VSZNYVQBSA-N 340.471 2.638 70 40 EFIB COC1CCN(C2CCN(C(=O)CCc3ccccc3F)CC2)CC1 217766721 OQEONKBIHJKLDG-UHFFFAOYSA-N 348.462 2.860 70 40 EFIB Cc1noc(C)c1C(=O)N1CCC2(CC1)OC(=O)c1ccccc12 217530014 ZGJIZJQNYJOOMF-UHFFFAOYSA-N 326.352 2.593 70 40 EFIB Fc1ccccc1Cn1cc([C@H]2OCCN2Cc2ccco2)nn1 216780174 HKEGAZDDOSQJTF-QGZVFWFLSA-N 328.347 2.590 70 40 EFIB O=C(Nc1cnn(CC2CCOCC2)c1)c1cc(-c2ccco2)on1 218198133 VEKUBXNYNGFPJJ-UHFFFAOYSA-N 342.355 2.810 70 40 EFIB COc1ccccc1-c1nnc([C@@H]2CCCN(C(=O)C3CC3)C2)o1 216663142 ZDKUGIOKAUMNRF-CYBMUJFWSA-N 327.384 2.861 70 40 EFIB COc1ccc(-c2nnc(NN)o2)cc1OCc1ccc(C)cc1 216802447 GOQBKMHHAKQGLZ-UHFFFAOYSA-N 326.356 2.918 70 40 EFIB O=S(=O)(Cl)c1cn(C2CCCC2)nc1COCC(F)F 408717187 WRAUHXNQDCDWLP-UHFFFAOYSA-N 328.768 2.707 70 40 EFIB Cc1ccc([C@@H]2[C@@H](C(N)=S)[C@@H]2S(=O)(=O)c2ccccc2)cc1 218552161 ZVQQLIXOUYOMEN-BZUAXINKSA-N 331.462 2.837 70 40 EFIB CC(C)Cn1cc(S(=O)(=O)Cl)c(COCC(F)(F)F)n1 408716131 JGDCGEGZOWUSCO-UHFFFAOYSA-N 334.747 2.546 70 40 EFIB CCCc1nnsc1C(=O)NCCn1ccc(-c2ccsc2)n1 217887744 RKIZKRVZWHEHNE-UHFFFAOYSA-N 347.469 2.846 70 40 EFIB COc1ccccc1N1CCC[C@H](NC2CCC(NC(C)=O)CC2)C1 161508871 CXEOODGWJIBTBQ-ABHNRTSZSA-N 345.487 2.701 70 40 EFIB Cc1ccc(C)c(S(=O)(=O)Nc2cnn(CC3CCOCC3)c2)c1 218241150 GIGFHHOMVIUOQX-UHFFFAOYSA-N 349.456 2.727 70 40 EFIB CC1=C[C@](C)(S(=O)(=O)Cl)[C@H](S(=O)(=O)Cl)C(C)=C1C 100003969 MPUIPTMUUIRLRL-ZJUUUORDSA-N 333.258 2.547 70 40 EFIB CCCc1nnsc1C(=O)NC[C@](C)(O)c1cc2ccccc2o1 217987999 RWQZQGKNDSMPQJ-KRWDZBQOSA-N 345.424 2.874 70 40 EFIB COc1ccc(S(=O)(=O)Cl)cc1CNC(=O)c1ccccc1 100027144 QLEAROVELJYBHW-UHFFFAOYSA-N 339.800 2.553 70 40 EFIB O=C(NCC[C@H](O)C1CCOCC1)c1cc(Cl)ccc1Cl 217919645 YYXLWMDNWBUBCK-AWEZNQCLSA-N 332.227 2.901 70 40 EFIB CN1CCC[C@@H](C(=O)Nc2ccc(I)cc2)C1 216782287 JTQGFGDLQIZZAD-SNVBAGLBSA-N 344.196 2.572 70 40 EFIB COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)c1cc(C)oc1C 218005777 QAXJPIXQWFFTMX-IBGZPJMESA-N 329.396 2.859 70 40 EFIB Cc1noc(C)c1C(=O)N1CCC[C@]2(C1)OC(=O)c1ccccc12 217590274 HOCMCKMHZLODTK-GOSISDBHSA-N 326.352 2.593 70 40 EFIB O=C1O[C@@]2(CCCN(C(=O)c3ccc4nc[nH]c4c3)C2)c2ccccc21 217586590 BNPKUDGKZOYRMP-HXUWFJFHSA-N 347.374 2.865 70 40 EFIB Cc1noc(C)c1C(=O)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 217814884 IUNGXKZQOOCYAI-LBPRGKRZSA-N 330.388 2.647 70 40 EFIB O=C(N[C@H]1Cc2ccc(S(=O)(=O)Cl)cc2C1)c1ccccc1 257275985 NRWOUQCUNGTNSX-AWEZNQCLSA-N 335.812 2.511 70 40 EFIB CC[C@H](Oc1cccc(OC)c1)C(=O)NCCC1CCN(C)CC1 217027645 FCUPATMZYYKDBK-SFHVURJKSA-N 334.460 2.701 70 40 EFIB COc1ccc(C(=O)N2CC(n3cc(-c4ccccc4)nn3)C2)cc1 217670713 AQRVROLWNBTXNG-UHFFFAOYSA-N 334.379 2.651 70 40 EFIB CCOC(=O)c1ccc(-c2cc(C(=O)OC)ccc2C(=O)OC)o1 216772164 VZUWVXOFJLFIKC-UHFFFAOYSA-N 332.308 2.697 70 40 EFIB COC(=O)CS[C@@H]1CCN(C(=O)Cc2cccc3ccccc23)C1 217564840 WWDWLERDDOAFPM-MRXNPFEDSA-N 343.448 2.889 70 40 EFIB CN(Cc1cccc(O)c1)[C@@H](C(N)=O)c1cccc(Br)c1 160504949 QPWINUOZJQEITJ-OAHLLOKOSA-N 349.228 2.813 70 40 EFIB COc1ccccc1C(=O)NCc1ccc(OC)c(OC)c1OC 218167660 JOPSXVWZMDNPPQ-UHFFFAOYSA-N 331.368 2.651 70 40 EFIB COc1ccccc1-c1nnc([C@H]2CCCN(C(=O)C3CC3)C2)o1 216663188 ZDKUGIOKAUMNRF-ZDUSSCGKSA-N 327.384 2.861 70 40 EFIB COc1ccc(-c2nnc(NN)o2)cc1OCc1ccc(F)cc1 216802620 GEICCOQKQNRTQU-UHFFFAOYSA-N 330.319 2.749 70 40 EFIB Brc1cccc(Cn2cc([C@H]3OCCS3)nn2)c1 216750795 ANRNTJQRPCUYGF-LBPRGKRZSA-N 326.219 2.851 70 40 EFIB COc1ccc(S(=O)(=O)Cl)cc1CCC(=O)N1CCCCC1 100026985 PCADELVQHOSASI-UHFFFAOYSA-N 345.848 2.568 70 40 EFIB O=C(NCc1ccc(F)cc1)Nc1cnn(CC2CCOCC2)c1 218237458 GKJOBAYSMIIRIU-UHFFFAOYSA-N 332.379 2.771 70 40 EFIB CCOc1ccc(C(=O)NCCn2ccnc2-c2ccccn2)cc1 217858084 WQJCZUNEKOHKEW-UHFFFAOYSA-N 336.395 2.774 70 40 EFIB CC[C@@H](C)OCc1c(S(=O)(=O)Cl)cnn1CC(F)(F)F 408716154 JMHNXKLNAHYITG-SSDOTTSWSA-N 334.747 2.688 70 40 EFIB COc1ccc(S(=O)(=O)Cl)cc1CNC(=O)C1CCCCC1 100027139 DWFIGJOUECTDTN-UHFFFAOYSA-N 345.848 2.819 70 40 EFIB COC(=O)CS[C@@H]1CCN(C(=O)CCSc2ccccc2)C1 217555672 VQDQNJGNISYCPH-CQSZACIVSA-N 339.482 2.676 70 40 EFIB CCOCC(=O)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1 217795812 ZRCXYASEZAEJHG-CYBMUJFWSA-N 347.390 2.693 70 40 EFIB O=S(=O)(NCCSC1CCOCC1)c1ccc(Cl)s1 217710119 NTRQEUGIKVEOSE-UHFFFAOYSA-N 341.907 2.592 70 40 EFIB Cc1noc(-c2c(NC(=O)c3cc(C)on3)sc3c2CCOC3)n1 217964825 NCMUTMHJVFXLRG-UHFFFAOYSA-N 346.368 2.728 70 40 EFIB COc1cccc(Nc2cc(N3CCN(C)CC3)nc(SC)n2)c1 216851925 FJXXNNKTDXVNID-UHFFFAOYSA-N 345.472 2.703 70 40 EFIB CCOC(=O)c1ccc(Br)c(S(=O)(=O)Cl)c1 59262045 CENGDVKYFCXJKP-UHFFFAOYSA-N 327.583 2.553 70 40 EFIB in-vitro COC(=O)CS[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)C1 217556250 IUEPOQNAJZKZBG-GFCCVEGCSA-N 347.358 2.826 70 40 EFIB CC[C@@H](NC(=O)c1cccc(OC)c1)c1ccc(S(C)(=O)=O)cc1 217940396 IXZWAJLMNLKUCF-QGZVFWFLSA-N 347.436 2.980 70 40 EFIB COc1cccc(N2CCC[C@H](NC3CCC4(CC3)OCCO4)C2)c1 161507300 RGBHBWPWKZMSDZ-KRWDZBQOSA-N 346.471 2.939 70 40 EFIB O=C(Cn1ccc2ccccc21)Nc1cnn(CC2CCOCC2)c1 218196727 XLNMZPCZSFPVES-UHFFFAOYSA-N 338.411 2.903 70 40 EFIB O=C1Nc2c(Cl)cc(S(=O)(=O)Cl)cc2C1(Cl)Cl 59114995 WIHKHQNZSLWVCD-UHFFFAOYSA-N 334.995 2.850 70 40 EFIB CC[C@H](NC(=O)c1ccc(OC)cc1)c1ccc(S(C)(=O)=O)cc1 217845531 KBYRGQFCTAUVHE-KRWDZBQOSA-N 347.436 2.980 70 40 EFIB CC(C)(C)OC(=O)N1CC=C(OS(=O)(=O)C(F)(F)F)CCC1 100480755 YPDXBXBLUSXNAK-UHFFFAOYSA-N 345.339 2.767 70 40 EFIB COc1ccc(C(=O)NC[C@@](O)(c2ccccc2)C2CC2)cc1F 217578484 XWGRBTNXJRBKCN-LJQANCHMSA-N 329.371 2.862 70 40 EFIB O=S(=O)(NCCOc1ccccc1Cl)c1ccc(F)cc1 160087211 RHAZBWFUVRLHFW-UHFFFAOYSA-N 329.780 2.836 70 40 EFIB O=C(NCCn1ccnc1-c1cccnc1)c1c(F)cccc1F 217866628 YOGZQJFGTPNCHI-UHFFFAOYSA-N 328.322 2.653 70 40 EFIB O=C1O[C@]2(CCCN(C(=O)c3ccc4nc[nH]c4c3)C2)c2ccccc21 217586665 BNPKUDGKZOYRMP-FQEVSTJZSA-N 347.374 2.865 70 40 EFIB O=C(CCl)NC[C@H](c1ccccc1)S(=O)(=O)c1ccccc1 8053302 MKOXSJLOLFSPKF-OAHLLOKOSA-N 337.828 2.557 70 40 EFIB COc1ccc(OCC(=O)N[C@H](C)COc2ccc(OC)cc2)cc1 217839786 WZFOVVAZODMPFK-CQSZACIVSA-N 345.395 2.666 70 40 EFIB COc1cccc(NC(=O)NCCSC2CCOCC2)c1OC 217708933 FFBREVCJPMZTRS-UHFFFAOYSA-N 340.445 2.738 70 40 EFIB COc1ccc(S(=O)(=O)Cl)cc1-c1noc(C(C)(C)C)n1 59825934 BQNDLTAYSQMEQR-UHFFFAOYSA-N 330.793 2.970 70 40 EFIB COc1cccc(Cn2cc([C@H]3OCCN3c3ccccc3)nn2)c1 216756392 PDCSVOAGYGPVND-LJQANCHMSA-N 336.395 2.870 70 40 EFIB COc1ccc2c(c1)CCC[C@@]2(O)CNC(=O)c1cc(C)oc1C 218005691 QAXJPIXQWFFTMX-LJQANCHMSA-N 329.396 2.859 70 40 EFIB CNC(=O)CCCN(C)C(=O)c1cc(C)cc(C)c1Br 161357852 VGBQXWOFIZUCNH-UHFFFAOYSA-N 341.249 2.664 70 40 EFIB O=S(=O)(Oc1cc(Br)c(F)cc1F)C(F)(F)F 258818714 CJTVFORHQIRKAX-UHFFFAOYSA-N 341.051 2.956 70 40 EFIB CCS(=O)(=O)N1CCC(c2nnc(-c3ccccc3C)o2)CC1 216631169 RCHKWENKXKXHEJ-UHFFFAOYSA-N 335.429 2.574 70 40 EFIB O=C(NCc1cccs1)NC[C@@H]1CCCN(c2nccs2)C1 218172424 GZQCDLLFANBIBT-LBPRGKRZSA-N 336.486 2.920 70 40 EFIB CN(C)C(=S)Oc1c(S(=O)(=O)F)ccc(Cl)c1Cl 104162104 AWLJCAVQVQJORV-UHFFFAOYSA-N 332.205 2.877 70 40 EFIB COc1ccc(Nc2cc(N3CCN(C)CC3)ncn2)cc1Cl 216847710 PBXFFAVGSWIOMK-UHFFFAOYSA-N 333.823 2.634 70 40 EFIB O=S(=O)(NCCSC1CCOCC1)c1cccc(Cl)c1 217709807 BQSUBVOHBHGQAO-UHFFFAOYSA-N 335.878 2.531 70 40 EFIB COc1ccc(CSCC(=O)NCCC2CCN(C)CC2)cc1 216929861 JVJIPHPVPNBEGE-UHFFFAOYSA-N 336.501 2.777 70 40 EFIB COC(=O)CS[C@@H]1CCN(C(=O)CCc2ccc(C)c(C)c2)C1 217561091 AUZRUWICPVOYKR-MRXNPFEDSA-N 335.469 2.743 70 40 EFIB CCOc1ccc(CNC(=O)CC2CCN(C)CC2)cc1OCC 216898368 IXQYCRDQWTXMDI-UHFFFAOYSA-N 334.460 2.832 70 40 EFIB O=S(=O)(Cc1ccccc1)NCCn1ccc(-c2ccsc2)n1 217892265 AKCMIULEQDUYEV-UHFFFAOYSA-N 347.465 2.731 70 40 EFIB O=C(NCC[C@@H](O)C1CCOCC1)c1ccccc1C(F)(F)F 217919320 FCPUWEDCADQBAE-CQSZACIVSA-N 331.334 2.613 70 40 EFIB CCS(=O)(=O)N1CCC(c2nnc(-c3ccc(C)cc3)o2)CC1 216632436 RXAZBQJWMZFXLQ-UHFFFAOYSA-N 335.429 2.574 70 40 EFIB CCc1nc([C@H](C)NC(=O)Nc2ccnn2C[C@@H]2CCOC2)cs1 159649793 VSZJYPQFVKBWDF-RYUDHWBXSA-N 349.460 2.821 70 40 EFIB O=C(NCCc1ccccc1)Nc1cnn(CC2CCOCC2)c1 218235387 YTFJGODKWBBSPZ-UHFFFAOYSA-N 328.416 2.674 70 40 EFIB CN1C(=O)CS[C@H]1c1cn(Cc2cccc(C(F)(F)F)c2)nn1 216752757 XTDOBSAWZOBJQJ-ZDUSSCGKSA-N 342.346 2.549 70 40 EFIB COc1ccc(C(=O)NC[C@H](O)c2cn(C)c3ccccc23)cc1F 217575464 YQHHWASPXHEWDN-KRWDZBQOSA-N 342.370 2.789 70 40 EFIB COc1ccc2c(c1)[C@H](NC(=O)C1CCN(C)CC1)CC(C)(C)O2 216924469 PMPKRCCGFQVBIR-MRXNPFEDSA-N 332.444 2.755 70 40 EFIB CC(C)CNC(=O)c1ccccc1NC(=O)CC1CCN(C)CC1 216894495 UNTZJHKTXFORSN-UHFFFAOYSA-N 331.460 2.743 70 40 EFIB CCOc1ccc(CCCNC(=O)[C@@H]2COc3ccccc3O2)cc1 218298478 QSVJDPKUIQGOLH-IBGZPJMESA-N 341.407 2.974 70 40 EFIB CC[C@@H](NC(=O)c1ccccc1OC)c1ccc(S(C)(=O)=O)cc1 218169878 LVPNFADRNYIVNJ-MRXNPFEDSA-N 347.436 2.980 70 40 EFIB O=C1O[C@]2(CCCN(C(=O)Cc3cccs3)C2)c2ccccc21 217555403 LWPZOCNDZWAENX-SFHVURJKSA-N 327.405 2.979 70 40 EFIB CC(C)COCc1c(S(=O)(=O)Cl)cnn1CCC(F)(F)F 408715239 AAXLTOJTFDXKEP-UHFFFAOYSA-N 348.774 2.936 70 40 EFIB O=C(NCCn1ccnc1-c1ccccn1)NCc1ccc(F)cc1 217863155 VSEYJUNSGKOTFJ-UHFFFAOYSA-N 339.374 2.584 70 40 EFIB Cc1ccc(S(=O)(=O)NC[C@@](C)(O)Cc2ccco2)cc1Cl 217282865 KVFHTEWMIQNRDL-HNNXBMFYSA-N 343.832 2.513 70 40 EFIB O=S(=O)(NCC[C@@H](O)c1ccsc1)c1ccc(Cl)s1 217536452 ISAALQROIFOGPU-SECBINFHSA-N 337.875 2.865 70 40 EFIB CCc1nc([C@@H](C)NC(=O)Nc2ccnn2C[C@H]2CCOC2)cs1 159649942 VSZJYPQFVKBWDF-VXGBXAGGSA-N 349.460 2.821 70 40 EFIB O=C1O[C@@]2(CCCN(C(=O)Cc3cccs3)C2)c2ccccc21 217555342 LWPZOCNDZWAENX-GOSISDBHSA-N 327.405 2.979 70 40 EFIB COC(=O)CS[C@@H]1CCN(C(=O)c2ccc(-n3cccc3)cc2)C1 217563170 ARCBUVHURSAQAG-MRXNPFEDSA-N 344.436 2.598 70 40 EFIB CCOC(=O)c1ccc(S(=O)(=O)Cl)c(Br)c1 100567602 ORRSZYNOLXITNI-UHFFFAOYSA-N 327.583 2.553 70 40 EFIB COc1ccc(CCCNC(=O)COc2ccc(OC)cc2)cc1 217839598 PYZBPPJQJXNPMP-UHFFFAOYSA-N 329.396 2.832 70 40 EFIB Cc1cc(C)nc(N2CCC[C@@H](C(=O)NC[C@H]3C[C@@H]4C=C[C@H]3C4)C2)n1 218076217 KCCDVTQUXCGTRR-XMTFNYHQSA-N 340.471 2.638 70 40 EFIB c1cc(-c2nnnn2C2CC2)ccc1NC1CCC2(CC1)OCCO2 161131838 MBHRQBABODMLEC-UHFFFAOYSA-N 341.415 2.773 70 40 EFIB C[C@@H](CNC(=O)N1CCN(Cc2ccccn2)CC1)c1ccsc1 160524818 XYAMOOGIGOJEOR-HNNXBMFYSA-N 344.484 2.774 70 40 EFIB Cn1cccc1[C@H](O)CCNC(=O)c1cc(-c2ccccc2)on1 217935592 SIEKOHHPDPHLGT-MRXNPFEDSA-N 325.368 2.534 70 40 EFIB COc1ccc2c(c1)CCC[C@@]2(O)CNC(=O)/C=C/c1ccco1 218005588 UWXCBXKQOGNSNU-QRBZPYHOSA-N 327.380 2.642 70 40 EFIB Cc1cc(S(=O)(=O)NCC[C@H](O)c2ccsc2)ccc1F 217535614 CJVFFOMXEXDLQW-AWEZNQCLSA-N 329.418 2.598 70 40 EFIB COc1cc(S(=O)(=O)Cl)ccc1-n1ccc(C(F)(F)F)n1 103695526 KPMUCPXFNNAAPZ-UHFFFAOYSA-N 340.710 2.827 70 40 EFIB Cc1ccc([C@H]2[C@H](C(N)=S)[C@@H]2S(=O)(=O)c2ccccc2)cc1 218552096 ZVQQLIXOUYOMEN-HRCADAONSA-N 331.462 2.837 70 40 EFIB C[C@@H]1CN(C(=O)OC(C)(C)C)CC=C1OS(=O)(=O)C(F)(F)F 219068764 GXKBWSKZZAVUQN-MRVPVSSYSA-N 345.339 2.623 70 40 EFIB O=C(Nc1ccc(S(=O)(=O)Cl)cc1)OCCc1ccccn1 95698237 RHPOPDWSAUWMLL-UHFFFAOYSA-N 340.788 2.800 70 40 EFIB O=C(NCCn1nc(-c2ccsc2)cc1C1CC1)[C@H]1CCOC1 217880378 XNUNHMYIRKZNLJ-ZDUSSCGKSA-N 331.441 2.642 70 40 EFIB CN1CCC[C@H](C(=O)Nc2ccc(I)cc2)C1 216782332 JTQGFGDLQIZZAD-JTQLQIEISA-N 344.196 2.572 70 40 EFIB COc1cc(OS(=O)(=O)C(F)(F)F)ccc1Br 248187063 IIMJUQOCPHBGTP-UHFFFAOYSA-N 335.097 2.686 70 40 EFIB CC(=O)OC(C)(C)C(=O)NC[C@@](C)(O)c1cc2ccccc2s1 217509145 OTVFTADRQUZAEZ-QGZVFWFLSA-N 335.425 2.567 70 40 EFIB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](C(N)=S)[C@@H]2c2ccc(F)cc2)cc1 218643581 GPOXIWHCQQUSOG-JYJNAYRXSA-N 349.452 2.976 70 40 EFIB Brc1cccc(Cn2cc([C@@H]3OCCS3)nn2)c1 216750749 ANRNTJQRPCUYGF-GFCCVEGCSA-N 326.219 2.851 70 40 EFIB Cc1nc(C)c(C(=O)NC[C@@H]2CCCN(c3nccs3)C2)s1 218155747 IPYOJTZNXJQJSI-LBPRGKRZSA-N 336.486 2.863 70 40 EFIB O=C(NCC[C@H](O)c1ccsc1)c1ccc(Br)o1 217531425 MTVSYCBLRHPKOM-VIFPVBQESA-N 330.203 2.957 70 40 EFIB COC(=O)/C=C/c1ccc(OS(=O)(=O)C(F)(F)F)c(Cl)c1 100929850 RJTXCUPNEYKLNH-HWKANZROSA-N 344.694 2.755 70 40 EFIB O=C(NCc1ccccc1)C(=O)NCC1(c2ccsc2)CCCC1 217484906 VYWIXXNICRYJCB-UHFFFAOYSA-N 342.464 2.993 70 40 EFIB COc1ccc(S(=O)(=O)F)cc1NC(=O)Oc1ccccc1 104171043 VSARLDLMRYHGHS-UHFFFAOYSA-N 325.317 2.964 70 40 EFIB CCOC(=O)c1cccc(OC)c1OS(=O)(=O)c1ccccc1 216783236 MLPDYNSWPPTMJX-UHFFFAOYSA-N 336.365 2.640 70 40 EFIB Cn1cc(S(=O)(=O)Cl)cc1C(=O)C(Cl)(Cl)Cl 100068742 RHFRYNZCFXKAIO-UHFFFAOYSA-N 325.000 2.506 70 40 EFIB C[C@@](O)(CNC(=O)c1noc2c1CCCC2)c1cc2ccccc2o1 217995697 ONBIEMAZBWWVFE-LJQANCHMSA-N 340.379 2.937 70 40 EFIB CCS(=O)(=O)c1cccc(CC(=O)N(C)c2ccccc2F)c1 159594519 JOIDIVVEZPYOEV-UHFFFAOYSA-N 335.400 2.825 70 40 EFIB S=C(NC1CC1)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 217531093 PGSDIRMFGYBOJM-BURFUSLBSA-N 331.529 2.918 70 40 EFIB Cc1nccn1-c1ccccc1CNC(=O)CC1CCN(C)CC1 216901144 GFLNZSLQHQLHMG-UHFFFAOYSA-N 326.444 2.529 70 40 EFIB Cc1ccc(F)c(S(=O)(=O)N(C[C@@H](C)O)C2CCCCC2)c1 160957700 RKISYWRKXRHTIC-CYBMUJFWSA-N 329.437 2.838 70 40 EFIB C[C@](O)(CNC(=O)COc1ccccc1F)c1cc2ccccc2o1 217987718 IXJPCPBJPDFJFN-IBGZPJMESA-N 343.354 2.975 70 40 EFIB COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)c1ccc(F)c(F)c1 218006872 WROZHJHNAIJPDU-IBGZPJMESA-N 347.361 2.927 70 40 EFIB O=C(COc1ccccc1)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 217808914 WYXLYYRVFIDWHF-AWEZNQCLSA-N 341.411 2.807 70 40 EFIB C[C@H]1C=C(OS(=O)(=O)C(F)(F)F)CCN1C(=O)OC(C)(C)C 113821801 UAAWMAOUVZMVKN-QMMMGPOBSA-N 345.339 2.766 70 40 EFIB Cc1nnsc1C(=O)N(Cc1nn(C)c2c1CCC2)C1CCCC1 217910563 WIMXBBVWFZBNDH-UHFFFAOYSA-N 345.472 2.654 70 40 EFIB CC(C)Cn1cc(S(=O)(=O)Cl)c(COCCC(F)(F)F)n1 408717001 UQGSSYOGZRSSEI-UHFFFAOYSA-N 348.774 2.936 70 40 EFIB COC(=O)CS[C@@H]1CCN(C(=O)c2ccccc2C(F)(F)F)C1 217556457 GILOZJVRDXDUKA-SNVBAGLBSA-N 347.358 2.826 70 40 EFIB O=C(NCCn1nc(-c2ccsc2)cc1C1CC1)[C@@H]1CCOC1 217880306 XNUNHMYIRKZNLJ-CYBMUJFWSA-N 331.441 2.642 70 40 EFIB Fc1ccccc1Cn1cc([C@@H]2OCCN2Cc2ccccc2)nn1 216772507 OEIQMIFHSZHZFP-IBGZPJMESA-N 338.386 2.997 70 40 EFIB Fc1ccccc1Cn1cc([C@@H]2OCCN2Cc2ccco2)nn1 216780126 HKEGAZDDOSQJTF-KRWDZBQOSA-N 328.347 2.590 70 40 EFIB O=C(NCC[C@@H](O)C1CCOCC1)c1cccc(C(F)(F)F)c1 217919141 VFMAULXACHPANG-CQSZACIVSA-N 331.334 2.613 70 40 EFIB COc1ccc2c(c1)CCC[C@@]2(O)CNC(=O)c1cc(C2CC2)on1 218009005 WYDRHIDJYLVSSC-LJQANCHMSA-N 342.395 2.515 70 40 EFIB O=C(NCC[C@@H](O)c1ccsc1)c1ccc(Br)o1 217531515 MTVSYCBLRHPKOM-SECBINFHSA-N 330.203 2.957 70 40 EFIB O=C(Cc1cccs1)NCc1nn(C2CCCC2)c2c1COCC2 217586684 KVIHBEHVZBUULZ-UHFFFAOYSA-N 345.468 2.991 70 40 EFIB C[C@@](O)(CNS(=O)(=O)c1ccc(F)cc1)c1cc2ccccc2o1 217997094 SLGVPXABQRHJRQ-QGZVFWFLSA-N 349.383 2.758 70 40 EFIB O=C(NCCn1ccc(-c2ccsc2)n1)c1ccc2c(c1)OCO2 217883968 QLRCHIACLNAQPV-UHFFFAOYSA-N 341.392 2.770 70 40 EFIB O=[N+]([O-])c1cc(OS(=O)(=O)C(F)(F)F)cc(C(F)(F)F)c1 247343316 SVUCJWZAEXQPLV-UHFFFAOYSA-N 339.169 2.842 70 40 EFIB COc1cccc(NC(=O)NCCn2ccnc2-c2ccccn2)c1 217862579 WVTHQCNDRVMRKV-UHFFFAOYSA-N 337.383 2.775 70 40 EFIB Fc1cccc(F)c1-c1csc(CN2CCn3cnnc3C2)n1 159436239 OOARPBMQIVHEDK-UHFFFAOYSA-N 333.367 2.696 70 40 EFIB O=C(NCCn1ccc(-c2ccsc2)n1)c1noc2c1CCCC2 217889073 XSRDLESMIGEOOW-UHFFFAOYSA-N 342.424 2.908 70 40 EFIB C[C@](O)(CNS(=O)(=O)Cc1ccccc1)c1cc2ccccc2o1 217996985 QSFPAQDMRNIKJW-SFHVURJKSA-N 345.420 2.760 70 40 EFIB Cc1cc(I)cc(C)c1S(=O)(=O)Cl 675082409 ZYUPKERHCBZDHI-UHFFFAOYSA-N 330.574 2.836 70 40 EFIB Cn1c(C(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc2ccccc21 217984767 MEDLIGCWDHFFAS-GOEBONIOSA-N 347.418 2.600 70 40 EFIB CCOc1ccc(CCC(=O)NC2CCN(C)CC2)cc1OCC 217020948 PHUSBBFUQLUITK-UHFFFAOYSA-N 334.460 2.627 70 40 EFIB CC[C@H](C)OCc1nn(CC(F)(F)F)cc1S(=O)(=O)Cl 408715490 SNAMAYZSULPWTH-ZETCQYMHSA-N 334.747 2.688 70 40 EFIB O=C(NCCn1ccnc1-c1ccccn1)c1cc(-c2ccco2)on1 217857265 YVRXFCVRWOKGBR-UHFFFAOYSA-N 349.350 2.623 70 40 EFIB C[C@H]1CN(C(=O)OC(C)(C)C)CC=C1OS(=O)(=O)C(F)(F)F 219068839 GXKBWSKZZAVUQN-QMMMGPOBSA-N 345.339 2.623 70 40 EFIB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H]1CCCN(C)C1 216918594 ILEKHUFRXVKNSA-XJKSGUPXSA-N 332.444 2.755 70 40 EFIB CCOc1ccccc1C(=O)NCCn1ccnc1-c1cccnc1 217866414 GBRGWYUREZYCJA-UHFFFAOYSA-N 336.395 2.774 70 40 EFIB Fc1cc(F)c2nccc(NC[C@@H]3COC4(CCOCC4)O3)c2c1 160290209 ABRSPDWLMJZQQF-GFCCVEGCSA-N 336.338 2.847 70 40 EFIB O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CC[C@H](Cn2cnnn2)CC1 218232888 PUYISKMZHDNARU-PHIMTYICSA-N 337.786 2.911 70 40 EFIB FC(F)(F)COc1ncccc1CNC1CCC2(CC1)OCCO2 161271983 VJBBMRYURKPCSK-UHFFFAOYSA-N 346.349 2.798 70 40 EFIB CCOC(=O)c1cc(S(=O)(=O)Cl)c(F)cc1Br 59262142 ROXBGSACMAWORX-UHFFFAOYSA-N 345.573 2.692 70 40 EFIB in-vitro COc1ccc([C@@H]2[C@H](C(N)=S)[C@@H]2S(=O)(=O)c2ccccc2)cc1 218103035 HWZUYYXCGMZSQT-OWCLPIDISA-N 347.461 2.537 70 40 EFIB O=C(Nc1ccc(S(=O)(=O)F)cc1)Oc1ccc([N+](=O)[O-])cc1 104169075 KYNROESZSQYTOY-UHFFFAOYSA-N 340.288 2.864 70 40 EFIB CCOc1ccc(NC(=O)N2CCCC2)cc1S(=O)(=O)Cl 95698116 KYVQCVBMLZMRKL-UHFFFAOYSA-N 332.809 2.641 70 40 EFIB COc1cccc(-c2nnc(C3CCN(C(=O)C4CC4)CC3)o2)c1 216640581 ZEKHMESHGGJKBN-UHFFFAOYSA-N 327.384 2.861 70 40 EFIB CCOc1ccc(-c2noc(C3CC3)n2)cc1S(=O)(=O)Cl 59826075 LYQNHBOLOORPBR-UHFFFAOYSA-N 328.777 2.940 70 40 EFIB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H]1CCCN(C)C1 216918512 ILEKHUFRXVKNSA-CJNGLKHVSA-N 332.444 2.755 70 40 EFIB CN(C)c1ccc(Cl)cc1NC(=O)N1CCC[C@@H](CC(N)=O)C1 160547363 IAFDVRAYICQBNR-NSHDSACASA-N 338.839 2.525 70 40 EFIB O=C(Nc1cnn(CC2CCOCC2)c1)c1ccc2nccnc2c1 218229520 CPEYAHNETCSVGD-UHFFFAOYSA-N 337.383 2.505 70 40 EFIB CC[C@@H](Oc1cccc(OC)c1)C(=O)NCCC1CCN(C)CC1 217027605 FCUPATMZYYKDBK-GOSISDBHSA-N 334.460 2.701 70 40 EFIB COc1ccc(C)cc1Nc1cc(N2CCN(C)CC2)nc(C)n1 216850021 PBJIDZNHNYPMIO-UHFFFAOYSA-N 327.432 2.597 70 40 EFIB COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)c1ccc(F)cc1F 218006677 LHOWIODZDPKPSK-IBGZPJMESA-N 347.361 2.927 70 40 EFIB CC[C@@H](NC(=O)COc1ccccc1)c1ccc(S(C)(=O)=O)cc1 217824156 XIAHHOFCHBOGNK-QGZVFWFLSA-N 347.436 2.736 70 40 EFIB COCCN1C(=O)CS[C@H]1c1ccn(-c2ccccc2OC)c1 216679516 ADYFCDLPSGGVFI-KRWDZBQOSA-N 332.425 2.706 70 40 EFIB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CC1CCN(C)CC1 216894618 RFPRIANAUHOBAH-CQSZACIVSA-N 331.460 2.885 70 40 EFIB CCCOc1ccc(S(=O)(=O)Cl)cc1C(=O)N1CCCC1 103612865 WIPIZDPKYOYGLR-UHFFFAOYSA-N 331.821 2.639 70 40 EFIB Cc1cc(C(=O)N(Cc2nn(C)c3c2CCC3)C2CCCC2)no1 217911113 HFJUUVHLXQGXNL-UHFFFAOYSA-N 328.416 2.790 70 40 EFIB Cc1ccc(S(=O)(=O)NC[C@](C)(O)Cc2ccco2)cc1Cl 217282864 KVFHTEWMIQNRDL-OAHLLOKOSA-N 343.832 2.513 70 40 EFIB O=C(NCCOc1ccccc1Cl)[C@H]1COc2ccccc2O1 159443093 ZXLLWGYBSXBLLY-MRXNPFEDSA-N 333.771 2.675 70 40 EFIB COCCN1C(=O)CS[C@H]1c1ccn(-c2cccc(OC)c2)c1 216679060 VYMKKPHOTWGXBR-KRWDZBQOSA-N 332.425 2.706 70 40 EFIB O=C(Nc1ccc2c(c1)OCO2)Nc1cnn(CC2CCOCC2)c1 218234912 ONEZZXJPKVHBRV-UHFFFAOYSA-N 344.371 2.682 70 40 EFIB C[C@](O)(CNC(=O)c1cc(C2CC2)on1)c1cc2ccccc2o1 217992489 DMUDTNSWKOXRHH-SFHVURJKSA-N 326.352 2.936 70 40 EFIB Cn1cccc1[C@@H](O)CCNC(=O)c1ccccc1Br 217936757 JJUZFHZBGZMGNT-AWEZNQCLSA-N 337.217 2.641 70 40 EFIB O=C(NCCc1ccccc1)NC[C@@H]1CCCN(c2nccs2)C1 218168170 NQEFJWCXHDYNQG-INIZCTEOSA-N 344.484 2.901 70 40 EFIB CC(C)COCc1nn(CCC(F)(F)F)cc1S(=O)(=O)Cl 408715385 LQTQPBXQYKDWDW-UHFFFAOYSA-N 348.774 2.936 70 40 EFIB Cc1noc(C)c1CC(=O)NCCn1nc(-c2cccs2)cc1C 217874545 PFAZGQCCBAVKGE-UHFFFAOYSA-N 344.440 2.884 70 40 EFIB CN(Cc1cccc(O)c1)[C@H](C(N)=O)c1cccc(Br)c1 160504816 QPWINUOZJQEITJ-HNNXBMFYSA-N 349.228 2.813 70 40 EFIB O=C(CCC(=O)c1ccccc1)Nc1cnn(CC2CCOCC2)c1 218197254 OECNPWWIPMPZBY-UHFFFAOYSA-N 341.411 2.911 70 40 EFIB O=C(Cc1c[nH]c2ccccc12)Nc1cnn(CC2CCOCC2)c1 218201115 NJBRLONFPRWELW-UHFFFAOYSA-N 338.411 2.972 70 40 EFIB O=C(c1cc2ccccc2[nH]1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 217578707 LRRWNVOKVFXXBP-DZGCQCFKSA-N 333.391 2.589 70 40 EFIB Cc1cc(OS(=O)(=O)C(F)(F)F)c(N)cc1Br 103631749 IHDZPJYJSYVYEH-UHFFFAOYSA-N 334.113 2.568 70 40 EFIB COc1ccccc1-c1nnc(C2CCN(C(=O)C3CC3)CC2)o1 216640372 OUCHQSDGCBGCTE-UHFFFAOYSA-N 327.384 2.861 70 40 EFIB COc1ccc(CCNC(=O)NCC[C@H](O)c2ccsc2)cc1 217546671 CARMBRIJAAVJIS-INIZCTEOSA-N 334.441 2.722 70 40 EFIB O=S(=O)(F)c1ccc(-c2cn(CC3CC(F)(F)C3)nn2)cc1 1615571044 GLXHLGXLLXXXFG-UHFFFAOYSA-N 331.319 2.649 70 40 EFIB Cc1ccc([C@H]2COCCN2C(=O)Nc2ccc([S@@](C)=O)cc2)o1 161125548 YXOKEZLYRLTPHX-MYYSRTQBSA-N 348.424 2.931 70 40 EFIB CN(C)C(=S)Oc1c(Cl)cc(Cl)cc1S(=O)(=O)F 104162001 ZMMIDTUXUQFBAV-UHFFFAOYSA-N 332.205 2.877 70 40 EFIB Cc1cc(C(=O)N(Cc2ccco2)Cc2nn(C)c3c2CCC3)no1 217904827 QHSDYONWBUMKEE-UHFFFAOYSA-N 340.383 2.641 70 40 EFIB Cc1ccc(Cl)cc1N1CCN(C(=O)[C@@H]2CCCN(C)C2)CC1 216908671 CTTXOUQOKNGJLH-OAHLLOKOSA-N 335.879 2.639 70 40 EFIB O=S(=O)(Oc1cc(OC(F)(F)F)ccc1F)C(F)(F)F 245482312 HSEBRHDPBFSBKR-UHFFFAOYSA-N 328.161 2.953 70 40 EFIB CCCc1ccc(C(=O)N2CC[C@H](N3C(=O)CSC3=O)C2)cc1 217781871 ZBQAXILLLMMVPH-AWEZNQCLSA-N 332.425 2.549 70 40 EFIB CCCOc1ccc(S(=O)(=O)Cl)cc1C(=O)N(CC)CC 103612870 DPGDUGXYRDAFFK-UHFFFAOYSA-N 333.837 2.885 70 40 EFIB CSc1cccc(NC(=O)[C@H]2CC[C@H](Cn3cnnn3)CC2)c1 218111684 IIPIBSTVFZYEKZ-BETUJISGSA-N 331.445 2.840 70 40 EFIB O=C1NCCN1C(=O)N1CCS[C@@H]1c1ccc(C(F)(F)F)cc1 217632089 JDMRHAXZZKZCMV-LLVKDONJSA-N 345.346 2.898 70 40 EFIB O=C(CCc1ccccc1F)NC[C@@H](O)c1ccc2c(c1)CCO2 217585180 PXZPKOAMDLIZPS-QGZVFWFLSA-N 329.371 2.543 70 40 EFIB Cc1nc(C)c(C(=O)NC[C@H]2CCCN(c3nccs3)C2)s1 218155817 IPYOJTZNXJQJSI-GFCCVEGCSA-N 336.486 2.863 70 40 EFIB O=S(=O)(/C=C/c1ccccc1)Nc1cnn(CC2CCOCC2)c1 218242638 KULJVYYAIOPGNS-DHZHZOJOSA-N 347.440 2.722 70 40 EFIB C[C@](O)(CNC(=O)c1ccc2c(c1)OCO2)c1cc2ccccc2o1 217986291 AQTUWISSCSDSPX-IBGZPJMESA-N 339.347 2.799 70 40 EFIB OC[C@H]1CCCN1c1cc(N[C@@H]2CCCc3sccc32)ncn1 161071165 YHAOKMGYBKYEQS-TZMCWYRMSA-N 330.457 2.989 70 40 EFIB O=C1OC2(CCN(C(=O)Cc3cccs3)CC2)c2ccccc21 217510892 LWXYKCKHVGYBSW-UHFFFAOYSA-N 327.405 2.979 70 40 EFIB COCCN1C(=O)CS[C@@H]1c1ccn(-c2ccccc2OC)c1 216679467 ADYFCDLPSGGVFI-QGZVFWFLSA-N 332.425 2.706 70 40 EFIB CC[C@@H](Oc1ccccc1OC)C(=O)NCCC1CCN(C)CC1 217033755 FBVHCVRQHMPTEP-MRXNPFEDSA-N 334.460 2.701 70 40 EFIB Cn1nc(CN(Cc2ccco2)C(=O)c2cccnc2)c2c1CCC2 217904300 QPNNLOWIABNHDT-UHFFFAOYSA-N 336.395 2.739 70 40 EFIB COC(=O)CS[C@H]1CCN(C(=O)/C=C/c2ccccc2Cl)C1 217563808 OSYBRAQPDFFPGX-YBJDMEARSA-N 339.844 2.860 70 40 EFIB COC(=O)CS[C@H]1CCN(C(=O)c2ccccc2C(F)(F)F)C1 217556545 GILOZJVRDXDUKA-JTQLQIEISA-N 347.358 2.826 70 40 EFIB O=S(=O)(Oc1ccc(OC(F)(F)F)c(F)c1)C(F)(F)F 245482654 YHDSUEJBLZBEAJ-UHFFFAOYSA-N 328.161 2.953 70 40 EFIB CSc1nc(Nc2cccc(F)c2)cc(N2CCN(C)CC2)n1 216851071 NAGSEXCSRHRPPO-UHFFFAOYSA-N 333.436 2.833 70 40 EFIB O=S(=O)(Cc1ccccc1F)NCCOc1ccccc1Cl 160083668 LLPFLUWQBJLDFV-UHFFFAOYSA-N 343.807 2.978 70 40 EFIB COc1cccc(-c2nnc([C@H]3CCCN(C(=O)C4CC4)C3)o2)c1 216663511 VSSWSQHYWSWQAM-AWEZNQCLSA-N 327.384 2.861 70 40 EFIB CCOCC(=O)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1 217795878 ZRCXYASEZAEJHG-ZDUSSCGKSA-N 347.390 2.693 70 40 EFIB COc1cccc(Cn2cc([C@@H]3OCCN3c3ccccc3)nn2)c1 216756346 PDCSVOAGYGPVND-IBGZPJMESA-N 336.395 2.870 70 40 EFIB O=C(CCc1cccc(Cl)c1)NCC[C@@H](O)C1CCOCC1 217921465 PXWXLBJJMYTBNT-MRXNPFEDSA-N 325.836 2.566 70 40 EFIB CC[C@@H](NC(=O)c1ccc(OC)cc1)c1ccc(S(C)(=O)=O)cc1 217845449 KBYRGQFCTAUVHE-QGZVFWFLSA-N 347.436 2.980 70 40 EFIB Cc1noc(C)c1CC(=O)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 217814298 CKSYXLMBPFTKQY-CYBMUJFWSA-N 344.415 2.576 70 40 EFIB COCCN1C(=O)CS[C@@H]1c1ccn(-c2cccc(OC)c2)c1 216679016 VYMKKPHOTWGXBR-QGZVFWFLSA-N 332.425 2.706 70 40 EFIB COC(=O)CS[C@@H]1CCN(C(=O)c2ccc3nccc(C)c3c2)C1 217560886 FHJOZZWYSJDNBU-CQSZACIVSA-N 344.436 2.664 70 40 EFIB O=C(NCC[C@H](O)C1CCOCC1)NCc1cccc2ccccc12 217930333 LUGPQVWMHJTLBZ-IBGZPJMESA-N 342.439 2.817 70 40 EFIB COc1ccc(Br)cc1OS(=O)(=O)C(F)(F)F 248266623 ZOGMEMQWZDKJRN-UHFFFAOYSA-N 335.097 2.686 70 40 EFIB O=C1[C@H]2[C@H]3c4ccccc4[C@@H]2[C@H](c2ccccc23)N1S(=O)(=O)Cl 101138818 JFIYFUBMTDGTKA-VGWMRTNUSA-N 345.807 2.912 70 40 EFIB COc1ccc(CCCNC(=O)[C@@H]2COc3ccccc3O2)cc1 218297948 PJOQMBSSZRCNLO-SFHVURJKSA-N 327.380 2.584 70 40 EFIB Cn1cccc1[C@H](O)CCNC(=O)c1cc(Br)cs1 217939043 RAPYTVJPPUGTDO-LLVKDONJSA-N 343.246 2.703 70 40 EFIB CSc1nc(Nc2ccccc2F)cc(N2CCN(C)CC2)n1 216851031 ASYWRHRNLXWGGU-UHFFFAOYSA-N 333.436 2.833 70 40 EFIB O=C1NCCN1C(=O)N1CCS[C@H]1c1ccc(C(F)(F)F)cc1 217632170 JDMRHAXZZKZCMV-NSHDSACASA-N 345.346 2.898 70 40 EFIB CN(C)C(=S)Oc1ccc(S(=O)(=O)F)c(Cl)c1Cl 104162100 NVXCUBKJLYSWRG-UHFFFAOYSA-N 332.205 2.877 70 40 EFIB COc1ccc(OCC(=O)NCCCc2ccccc2OC)cc1 217839490 YHWIDAQSFMACMT-UHFFFAOYSA-N 329.396 2.832 70 40 EFIB CCCc1nnsc1C(=O)NC[C@@](C)(O)c1cc2ccccc2o1 217988069 RWQZQGKNDSMPQJ-QGZVFWFLSA-N 345.424 2.874 70 40 EFIB O=S(=O)(Cl)c1cn(CCC(F)(F)F)nc1Br 408716438 NAAPPUHHVQCCBC-UHFFFAOYSA-N 341.536 2.526 70 40 EFIB O=C1OC2(CCN(C(=O)COc3ccccc3)CC2)c2ccccc21 217511438 FRZMVSQWSIMZSN-UHFFFAOYSA-N 337.375 2.754 70 40 EFIB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](C(N)=S)[C@@H]2c2cccc(F)c2)cc1 218644748 YUWIKAQHOVVEKM-XHSDSOJGSA-N 349.452 2.976 70 40 EFIB CN1CCC[C@@H](C(=O)Nc2ccccc2C(=O)N2CCCCC2)C1 216909991 WDXSVKRFYJABSF-OAHLLOKOSA-N 329.444 2.593 70 40 EFIB CCOC(=O)COc1cc(Cl)c(S(=O)(=O)F)cc1Cl 104161894 ZUBYIVCVONUTLU-UHFFFAOYSA-N 331.148 2.594 70 40 EFIB NC(=S)[C@@H]1[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 218644239 MGMQYEPBINZPCI-KFWWJZLASA-N 335.425 2.668 70 40 EFIB O=C(NC[C@H]1CCCN(c2nccs2)C1)c1ccc2c(c1)OCO2 218118277 RDSSKNQHOGSHSA-GFCCVEGCSA-N 345.424 2.518 70 40 EFIB COc1cccc(-c2nnc([C@@H]3CCCN(C(=O)C4CC4)C3)o2)c1 216663465 VSSWSQHYWSWQAM-CQSZACIVSA-N 327.384 2.861 70 40 EFIB COc1ccc(-c2nnc(NN)o2)cc1OCc1ccccc1C 216802391 DBPBWTJCMHRGNY-UHFFFAOYSA-N 326.356 2.918 70 40 EFIB Cc1cccc(Cn2cc([C@H]3N(C)C(=O)c4ccccc4N3C)nn2)c1 216756929 HIGXWJWOGCINHA-LJQANCHMSA-N 347.422 2.855 70 40 EFIB Cc1cc(C(=O)N(C)C)cc2c1N(C)S(=O)(=O)c1ccccc1-2 216891767 AHMHPAUOCBOUKR-UHFFFAOYSA-N 330.409 2.502 70 40 EFIB O=S(=O)(NCC[C@@H](O)c1ccsc1)c1ccc(F)c(Cl)c1 217537790 RMMCHMAQZBNAPM-CYBMUJFWSA-N 349.836 2.943 70 40 EFIB CC(=O)Nc1ccc(C(=O)Nc2cnn(CC3CCOCC3)c2)cc1 218200415 RTDQAZQMYGTRAH-UHFFFAOYSA-N 342.399 2.520 70 40 EFIB NC(=S)[C@H]1[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218643008 JQUJYVJBBAFIAA-ILXRZTDVSA-N 335.425 2.668 70 40 EFIB COc1ccc(OC[C@@H](C)NC(=O)COc2ccccc2C)cc1 217825774 CGOZROVZVRCZKL-OAHLLOKOSA-N 329.396 2.966 70 40 EFIB COC(=O)CS[C@H]1CCN(C(=O)CCc2ccc(F)c(C)c2)C1 217561647 QAGZTOULXMHJNN-AWEZNQCLSA-N 339.432 2.574 70 40 EFIB CN1CCC[C@@H](C(=O)Nc2ccccc2C(=O)N2CCCCCC2)C1 216910049 UYTYNZIKQZMPPD-MRXNPFEDSA-N 343.471 2.983 70 40 EFIB CCS(=O)(=O)N1CCC[C@@H](c2nnc(-c3ccccc3C)o2)C1 216645874 AQUHRZWTMIHGSF-CYBMUJFWSA-N 335.429 2.574 70 40 EFIB COc1ccc(-c2nnc([C@H]3CCCN(C(=O)C4CC4)C3)o2)cc1 216663842 LZUVCNFPRHLVRK-AWEZNQCLSA-N 327.384 2.861 70 40 EFIB Cn1ccc2ccc(C(=O)N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)cc21 218022331 PDNYYSPZMWXBQN-WMLDXEAASA-N 347.418 2.600 70 40 EFIB CCOc1ccc(NC(=O)c2cccnc2)cc1S(=O)(=O)Cl 95698121 LUHMDFSCQJJPQG-UHFFFAOYSA-N 340.788 2.660 70 40 EFIB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H]1CCCN(C)C1 216918540 ILEKHUFRXVKNSA-CZUORRHYSA-N 332.444 2.755 70 40 EFIB CCOc1ccc(Nc2cc(N3CCN(C)CC3)nc(C)n2)cc1 216849772 YOFHNILFPPTSFQ-UHFFFAOYSA-N 327.432 2.679 70 40 EFIB O=C(NCC[C@@H](O)C1CCOCC1)NCc1cccc2ccccc12 217930429 LUGPQVWMHJTLBZ-LJQANCHMSA-N 342.439 2.817 70 40 EFIB COc1ccc(-c2nnc(C3CCN(C(=O)C4CC4)CC3)o2)cc1 216640778 YUNRTFPKCCANDR-UHFFFAOYSA-N 327.384 2.861 70 40 EFIB COc1ccc(Nc2cc(N3CCN(C)CC3)nc(C)n2)cc1Cl 216850061 LFWVFMFFLPUYBX-UHFFFAOYSA-N 347.850 2.942 70 40 EFIB C[C@@H](NC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O)c1ccccc1 218282918 FDFWZAZYJZNILT-HUUCEWRRSA-N 346.452 2.719 70 40 EFIB CCc1ccc(S(=O)(=O)NCCSC2CCOCC2)s1 217709693 IMTHUXSCHHOLEI-UHFFFAOYSA-N 335.516 2.501 70 40 EFIB COc1ccc(-c2nnc(NN)o2)cc1OCc1cccc(F)c1 216802844 LJJNJUAWFHJGIN-UHFFFAOYSA-N 330.319 2.749 70 40 EFIB C[C@@H](C(=O)N[C@H](C)c1ccccc1)N(c1ccccc1)S(C)(=O)=O 218282871 FDFWZAZYJZNILT-CABCVRRESA-N 346.452 2.719 70 40 EFIB COC(=O)c1cc(S(=O)(=O)Cl)c(Br)cc1Cl 59528760 BXODKTVTKUWNBO-UHFFFAOYSA-N 348.001 2.817 70 40 EFIB in-vitro NC(=S)[C@@H]1[C@@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc(F)cc1 218642875 JQUJYVJBBAFIAA-KKUMJFAQSA-N 335.425 2.668 70 40 EFIB COC(=O)CS[C@H]1CCN(C(=O)CCc2cccc(Cl)c2)C1 217559907 DANFUYZPQPSZFO-AWEZNQCLSA-N 341.860 2.780 70 40 EFIB O=S(=O)(Cl)c1cc2c(cc1Br)OCCCO2 100540834 BMYPFYGYAIAKIY-UHFFFAOYSA-N 327.583 2.538 70 40 EFIB CC(C)(C)c1ccc(S(=O)(=O)N2CCC(n3ccnn3)CC2)cc1 217690251 RCEASRNGSKIIFL-UHFFFAOYSA-N 348.472 2.601 70 40 EFIB C[C@H](NC(=O)c1cccc(-n2ccnn2)c1)c1nc2ccccc2[nH]1 161127238 SUWMPGUOHUZIIB-LBPRGKRZSA-N 332.367 2.635 70 40 EFIB COCCN1C(=O)CS[C@H]1c1ccn(-c2ccc(OC)cc2)c1 216679624 NWQBCIUZPXKGHA-KRWDZBQOSA-N 332.425 2.706 70 40 EFIB Cn1cccc1[C@H](O)CCNC(=O)c1ccccc1Br 217936674 JJUZFHZBGZMGNT-CQSZACIVSA-N 337.217 2.641 70 40 EFIB CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)N[C@@H](C)c1ccccc1)CC2 161121356 QSDSQLXPGGDMEK-USXIJHARSA-N 332.444 2.709 70 40 EFIB Cc1noc(C)c1CCC(=O)NCCn1ccc(-c2ccsc2)n1 217883112 PLNAHUNDRKNHFK-UHFFFAOYSA-N 344.440 2.965 70 40 EFIB CC(C)OCc1c(S(=O)(=O)Cl)cnn1CCC(F)(F)F 408716126 JDYPICUTMOCNHC-UHFFFAOYSA-N 334.747 2.688 70 40 EFIB Nc1ccc(CCCC(=O)Nc2ccc(S(=O)(=O)F)cc2)cc1 100482156 XKMJXASUXCRHLH-UHFFFAOYSA-N 336.388 2.888 70 40 EFIB O=[N+]([O-])c1cccc(C(F)(F)F)c1OS(=O)(=O)C(F)(F)F 247308776 HTMYZLRADSPJSU-UHFFFAOYSA-N 339.169 2.842 70 40 EFIB COC(=O)CS[C@H]1CCN(C(=O)c2ccc(-n3cccc3)cc2)C1 217563252 ARCBUVHURSAQAG-INIZCTEOSA-N 344.436 2.598 70 40 EFIB O=C(Cc1ccc(F)cc1F)Nc1cnn(CC2CCOCC2)c1 218232941 GWWOAGDCZCYKEB-UHFFFAOYSA-N 335.354 2.769 70 40 EFIB CC[C@H](C)NC(=O)c1ccccc1NC(=O)CC1CCN(C)CC1 216894651 RFPRIANAUHOBAH-AWEZNQCLSA-N 331.460 2.885 70 40 EFIB COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)/C=C/c1ccco1 218005518 UWXCBXKQOGNSNU-XSBJJCPUSA-N 327.380 2.642 70 40 EFIB O=c1cccc2n1C[C@H]1C[C@@H]2CN(Cc2nc(-c3ccccc3)no2)C1 217567116 UYLSVAPXNPDVOB-GOEBONIOSA-N 348.406 2.518 70 40 EFIB COc1ccc(S(=O)(=O)Cl)cc1C(=O)N1CCCCCC1 100026416 MBCNQHMVYIKJBR-UHFFFAOYSA-N 331.821 2.639 70 40 EFIB COc1ccc(Br)c(C(=O)N2CCc3oncc3C2)c1 217692723 NAEFMVIZIIGPJK-UHFFFAOYSA-N 337.173 2.644 70 40 EFIB O=S(=O)(Cc1ccc(F)cc1)NCCOc1ccccc1Cl 160063957 JCMSUCSUABIJEL-UHFFFAOYSA-N 343.807 2.978 70 40 EFIB O=C(CCc1cccc(Cl)c1)NCC[C@H](O)C1CCOCC1 217921384 PXWXLBJJMYTBNT-INIZCTEOSA-N 325.836 2.566 70 40 EFIB O=C(NCC[C@H](O)C1CCOCC1)c1ccccc1C(F)(F)F 217919254 FCPUWEDCADQBAE-AWEZNQCLSA-N 331.334 2.613 70 40 EFIB CN1CCC[C@H](C(=O)Nc2ccccc2C(=O)N2CCCCCC2)C1 216910079 UYTYNZIKQZMPPD-INIZCTEOSA-N 343.471 2.983 70 40 EFIB Cc1cc(OC2CN(C(=O)Nc3cccc(Cl)c3)C2)cc(=O)o1 217752707 DLQIWKLUCUUDFY-UHFFFAOYSA-N 334.759 2.897 70 40 EFIB Cc1cc([C@@H](C)NC(=O)N2CCN(Cc3ccccn3)CC2)c(C)o1 159779331 XDKUFWNPVVEJMK-OAHLLOKOSA-N 342.443 2.880 70 40 EFIB Cn1cccc1[C@@H](O)CCNC(=O)c1cc(-c2ccccc2)on1 217935672 SIEKOHHPDPHLGT-INIZCTEOSA-N 325.368 2.534 70 40 EFIB COc1ccc(CC(=O)NCC[C@@H](O)c2ccsc2)cc1OC 217531890 CFOJJXPVVKZRMO-CQSZACIVSA-N 335.425 2.548 70 40 EFIB Cc1cc([C@H](C)NC(=O)N2CCN(Cc3ccccn3)CC2)c(C)o1 159779481 XDKUFWNPVVEJMK-HNNXBMFYSA-N 342.443 2.880 70 40 EFIB COc1cc(CNC(=O)CC2CCN(C)CC2)ccc1OC(C)C 216898425 OMFKBCBLXSCFCI-UHFFFAOYSA-N 334.460 2.831 70 40 EFIB O=C(c1cccc2[nH]ccc12)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 217579579 OYIKBRLDDLXKJF-UONOGXRCSA-N 333.391 2.589 70 40 EFIB O=C(NCCSC1CCOCC1)c1ccc(Br)o1 217706672 FJCVTUMMVJDZIR-UHFFFAOYSA-N 334.235 2.684 70 40 EFIB Cc1cncn(CCNC(=O)Nc2ccc(Cl)c(Cl)c2)c1=O 217477971 HWPBFLGAJKKTEC-UHFFFAOYSA-N 341.198 2.680 70 40 EFIB CCO[C@H]1C[C@H](O)C12CCN(C(=O)N[C@@H](C)c1ccccc1)CC2 161121245 QSDSQLXPGGDMEK-XIRDDKMYSA-N 332.444 2.709 70 40 EFIB CCCn1cc(S(=O)(=O)Cl)c(COCCC(F)(F)F)n1 408715708 CQPUCQFJITVWGY-UHFFFAOYSA-N 334.747 2.690 70 40 EFIB CC(=O)OC(C)(C)C(=O)NC[C@](C)(O)c1cc2ccccc2s1 217509052 OTVFTADRQUZAEZ-KRWDZBQOSA-N 335.425 2.567 70 40 EFIB Cc1ccc(S(=O)(=O)Oc2ccc(S(=O)(=O)Cl)cc2)cc1 100573357 KVRRDBNRFARYIJ-UHFFFAOYSA-N 346.813 2.690 70 40 EFIB in-vitro COc1ccc(OC[C@@H](C)NC(=O)COc2ccccc2OC)cc1 217945738 QFNODOGFXVDGPA-CQSZACIVSA-N 345.395 2.666 70 40 EFIB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](C(N)=S)[C@@H]2c2cccc(F)c2)cc1 218644994 YUWIKAQHOVVEKM-HRCADAONSA-N 349.452 2.976 70 40 EFIB CCCOCc1nn(CCC(F)(F)F)cc1S(=O)(=O)Cl 408715181 DGIXOPICEQXKAP-UHFFFAOYSA-N 334.747 2.690 70 40 EFIB O=C(Nc1ccccc1F)N1CCC(N2C(=O)CSC2=O)CC1 217791498 JDBZZYPRPVBBHQ-UHFFFAOYSA-N 337.376 2.517 70 40 EFIB C[C@H](CNC(=O)N1CCN(Cc2ccccn2)CC1)c1ccsc1 160524943 XYAMOOGIGOJEOR-OAHLLOKOSA-N 344.484 2.774 70 40 EFIB CN(C)c1ccc(Cl)cc1NC(=O)N1CCC[C@H](CC(N)=O)C1 160547244 IAFDVRAYICQBNR-LLVKDONJSA-N 338.839 2.525 70 40 EFIB O=C(Nc1nc2ccccc2s1)[C@H]1CC[C@H](Cn2cnnn2)CC1 218112501 ZYKKSSCFHQAKDV-TXEJJXNPSA-N 342.428 2.728 70 40 EFIB Cc1noc(-c2ccsc2NC(=O)[C@@H]2COc3ccccc3O2)n1 217649422 IXQJMDFYFTXSHO-ZDUSSCGKSA-N 343.364 2.885 70 40 EFIB CN1CCC(CC(=O)Nc2ccccc2C(=O)N2CCCCC2)CC1 216896425 SRSDSYAMPJHIKD-UHFFFAOYSA-N 343.471 2.983 70 40 EFIB COC(=O)c1cccc(OC)c1OS(=O)(=O)c1ccc(C)cc1 216783104 RVUBUSCSNKGNJG-UHFFFAOYSA-N 336.365 2.558 70 40 EFIB C[C@H](Oc1ccccc1)C(=O)Nc1cccn(CC(F)(F)F)c1=O 159725626 ZRVQQZFEDVFBTB-NSHDSACASA-N 340.301 2.817 70 40 EFIB Cc1cc(C[C@@H](C)NC(=O)Nc2cccc(-c3nccn3C)c2)n[nH]1 159564556 SFCZPNUCFFFGMJ-GFCCVEGCSA-N 338.415 2.871 70 40 EFIB Cc1ccccc1Cn1cc([C@H]2N(C)C(=O)c3ccccc3N2C)nn1 216756806 VCIOBTPWMGFANV-LJQANCHMSA-N 347.422 2.855 70 40 EFIB COC(=O)CS[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)C1 217556343 IUEPOQNAJZKZBG-LBPRGKRZSA-N 347.358 2.826 70 40 EFIB CN1CCC(CCNC(=O)c2ccc(CN3CCCC3)cc2)CC1 216944845 SNSSDHRQHNTZAY-UHFFFAOYSA-N 329.488 2.744 70 40 EFIB O=S(=O)(F)c1ccc(-c2cn(Cc3cc(C4CC4)no3)nn2)cc1 1615570847 BOJSQCQJWOGXCP-UHFFFAOYSA-N 348.359 2.517 70 40 EFIB CSc1ccc(S(=O)(=O)Cl)cc1C(=O)N1CCCCC1 225170704 ZXIXYIAYQGMEDI-UHFFFAOYSA-N 333.862 2.962 70 40 EFIB O=C1CS[C@H](c2cn(Cc3ccccc3)nn2)N1Cc1ccco1 216684015 IXNOXZBJIVHFCM-QGZVFWFLSA-N 340.408 2.694 70 40 EFIB CN1CCN(c2cc(Nc3cccc(Br)c3)ncn2)CC1 216846619 WPBLLEKNXBGTGD-UHFFFAOYSA-N 348.248 2.735 70 40 EFIB C[C@](O)(CNC(=O)c1noc2c1CCCC2)c1cc2ccccc2o1 217995778 ONBIEMAZBWWVFE-IBGZPJMESA-N 340.379 2.937 70 40 EFIB O=S(=O)(Nc1c(F)c(F)cc(F)c1F)c1ccc2c(c1)CCO2 160998156 OIAXCUDVMOHJAI-UHFFFAOYSA-N 347.289 2.979 70 40 EFIB Cc1cc(C(=O)N2CCC(Oc3cc(C)n(C)c(=O)c3)CC2)c(C)o1 217776130 ZPSHXMFAFFAMCV-UHFFFAOYSA-N 344.411 2.587 70 40 EFIB O=S(=O)(NCCn1ccc(-c2ccsc2)n1)c1cccs1 217891954 WPZUOHMMVHXAEI-UHFFFAOYSA-N 339.467 2.652 70 40 EFIB COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)NCc1ccccc1 218012796 SIYBRGPBQZNPOP-FQEVSTJZSA-N 340.423 2.719 70 40 EFIB COc1ccc(CCCNC(=O)[C@H]2COc3ccccc3O2)cc1 218298009 PJOQMBSSZRCNLO-GOSISDBHSA-N 327.380 2.584 70 40 EFIB COC(=O)CS[C@H]1CCN(C(=O)CCc2ccc(C)c(C)c2)C1 217561014 AUZRUWICPVOYKR-INIZCTEOSA-N 335.469 2.743 70 40 EFIB COC(=O)[C@@H](CCSC)NC(=O)c1ccccc1-n1cccc1 216664443 ASMBVPLTUXJOIO-CQSZACIVSA-N 332.425 2.502 70 40 EFIB CC(C)COCc1c(S(=O)(=O)Cl)cnn1CC(F)(F)F 408717024 UXIFREBWVVQGRA-UHFFFAOYSA-N 334.747 2.546 70 40 EFIB COC(=O)CS[C@H]1CCN(C(=O)c2cccc3ccc(C)nc23)C1 217562424 XCDJURPLVNTWBM-AWEZNQCLSA-N 344.436 2.664 70 40 EFIB CC[C@@H](C)n1cc(S(=O)(=O)Cl)c(COCC(F)(F)F)n1 408716673 PPPVGWGXZYLPPF-SSDOTTSWSA-N 334.747 2.861 70 40 EFIB COc1ccc(OC)c(CN(C)Cc2nc3c(C)ccnc3[nH]2)c1 160723502 DBBGUQUVSSASBG-UHFFFAOYSA-N 326.400 2.916 70 40 EFIB CCc1cc(S(=O)(=O)Cl)ccc1OCC(=O)N1CCCCC1 110749260 YUUZTBGNNMDYIE-UHFFFAOYSA-N 345.848 2.568 70 40 EFIB O=C(NCC[C@H](O)C1CCOCC1)c1cccc(C(F)(F)F)c1 217919072 VFMAULXACHPANG-AWEZNQCLSA-N 331.334 2.613 70 40 EFIB O=C(Cc1ccc(Cl)cc1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 217819351 JBQOEXPOWCLIGW-LSDHHAIUSA-N 342.826 2.690 70 40 EFIB CC[C@H](Oc1ccccc1OC)C(=O)NCCC1CCN(C)CC1 217033788 FBVHCVRQHMPTEP-INIZCTEOSA-N 334.460 2.701 70 40 EFIB CCOc1ccc(S(=O)(=O)Nc2ccn3nccc3c2)cc1F 217962236 ZRVKRFROKNWOFJ-UHFFFAOYSA-N 335.360 2.673 70 40 EFIB CCOC(=O)C(C)(C)n1cc(NC(=O)c2ccc(F)cc2C)cn1 159382253 UINGLQRQXVBBLD-UHFFFAOYSA-N 333.363 2.881 70 40 EFIB O=C(CCl)NC[C@@H](c1ccccc1)S(=O)(=O)c1ccccc1 8053308 MKOXSJLOLFSPKF-HNNXBMFYSA-N 337.828 2.557 70 40 EFIB CN1CCC[C@H](C(=O)Nc2ccccc2C(=O)N2CCCCC2)C1 216910022 WDXSVKRFYJABSF-HNNXBMFYSA-N 329.444 2.593 70 40 EFIB Cc1noc(C)c1CC(=O)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 217814377 CKSYXLMBPFTKQY-ZDUSSCGKSA-N 344.415 2.576 70 40 EFIB Cc1nn(C)c(C)c1C(=O)NC[C@](C)(O)c1cc2ccccc2s1 217509441 CQFSZWPYEJVEHU-SFHVURJKSA-N 343.452 2.889 70 40 EFIB COC1CCN(C2CCN(C(=O)c3ccc4cc[nH]c4c3)CC2)CC1 217773940 SRBMDAMSUGCPOE-UHFFFAOYSA-N 341.455 2.883 70 40 EFIB O=S(=O)(Cl)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1 59312391 KDCQZYQQZADXGP-UHFFFAOYSA-N 346.117 2.867 70 40 EFIB Cc1noc(C)c1CCC(=O)NC[C@@](C)(O)c1cc2ccccc2o1 217987530 LTVADTCHJFLUJU-LJQANCHMSA-N 342.395 2.994 70 40 EFIB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)C1CCN(C)CC1 216924497 SDUWKAHLBOHNLB-INIZCTEOSA-N 332.444 2.755 70 40 EFIB CCc1ccc([C@@H](COC)Nc2ccc(S(=O)(=O)F)cn2)o1 1614998907 HMJALTQONFCIJE-GFCCVEGCSA-N 328.365 2.695 70 40 EFIB O=C(NC[C@H]1CCCN1c1nccs1)c1ccc2nsnc2c1 217595476 SZSHDOMMUNTSNS-LLVKDONJSA-N 345.453 2.547 70 40 EFIB COc1ccc(CC(=O)NCC[C@H](O)c2ccsc2)cc1OC 217531807 CFOJJXPVVKZRMO-AWEZNQCLSA-N 335.425 2.548 70 40 EFIB CN1C(=O)c2ccccc2N(C)[C@H]1c1cn(Cc2ccccc2)nn1 216756692 CIXZJITUQKIYQF-GOSISDBHSA-N 333.395 2.547 70 40 EFIB O=C(COc1ccccc1F)NCCn1ccc(-c2ccsc2)n1 217885417 QYCLATJAWSZDBO-UHFFFAOYSA-N 345.399 2.946 70 40 EFIB Cc1cccc(Cn2cc([C@@H]3N(C)C(=O)c4ccccc4N3C)nn2)c1 216756973 HIGXWJWOGCINHA-IBGZPJMESA-N 347.422 2.855 70 40 EFIB C[C@](O)(CNS(=O)(=O)c1ccc(F)cc1)c1cc2ccccc2o1 217997171 SLGVPXABQRHJRQ-KRWDZBQOSA-N 349.383 2.758 70 40 EFIB COc1cccc2cc(C(=O)N[C@H]3CCN(c4ccccn4)C3)oc12 161218332 OYICJDVMKGEVAO-AWEZNQCLSA-N 337.379 2.845 70 40 EFIB Cc1nn(C)c(C)c1C(=O)NC[C@@](C)(O)c1cc2ccccc2s1 217509522 CQFSZWPYEJVEHU-GOSISDBHSA-N 343.452 2.889 70 40 EFIB CCCCOCc1nn(CC(F)(F)F)cc1S(=O)(=O)Cl 408715628 XYPCLIHLHIBSOK-UHFFFAOYSA-N 334.747 2.690 70 40 EFIB O=S(=O)(Cl)c1cc(Cl)c(Cl)c(S(=O)(=O)Cl)c1 100045680 DELKNGSNILXDSN-UHFFFAOYSA-N 344.024 2.848 70 40 EFIB CC[C@H](NC(=O)N1CCN(Cc2ccccn2)CC1)c1nccs1 160334395 WANPPFDHLCFWCE-HNNXBMFYSA-N 345.472 2.517 70 40 EFIB CCc1nc([C@H](C)NC(=O)Nc2ccnn2C[C@H]2CCOC2)cs1 159650108 VSZJYPQFVKBWDF-NWDGAFQWSA-N 349.460 2.821 70 40 EFIB COc1ccc(C(=O)NC[C@@H]2CCCN(c3nccs3)C2)cc1 218115476 IILSQBFVPKNMQX-ZDUSSCGKSA-N 331.441 2.798 70 40 EFIB COc1ccc(C(=O)n2c(C)c(C(N)=O)c3ccccc32)cc1OC 216958790 KDWHYEJULVIASH-UHFFFAOYSA-N 338.363 2.754 70 40 EFIB COc1ccc(-c2nnc(NN)o2)cc1OCc1ccccc1F 216802676 SESFDJBDGKBMEV-UHFFFAOYSA-N 330.319 2.749 70 40 EFIB CN1CCC(CC(=O)Nc2ccccc2C(=O)NC(C)(C)C)CC1 216897108 YIXBNMFDOBFHLO-UHFFFAOYSA-N 331.460 2.885 70 40 EFIB COc1ccc(OC[C@H](C)NC(=O)COc2ccccc2C)cc1 217825848 CGOZROVZVRCZKL-HNNXBMFYSA-N 329.396 2.966 70 40 EFIB O=C(COc1ccccc1)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 217808848 WYXLYYRVFIDWHF-CQSZACIVSA-N 341.411 2.807 70 40 EFIB O=C1[C@@H]2[C@H]3c4ccccc4[C@@H]2c2ccccc2[C@@H]3N1S(=O)(=O)Cl 104286024 JFIYFUBMTDGTKA-WCVJEAGWSA-N 345.807 2.912 70 40 EFIB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](C(N)=S)[C@@H]2c2ccc(F)cc2)cc1 218643416 GPOXIWHCQQUSOG-XHSDSOJGSA-N 349.452 2.976 70 40 EFIB COc1ccc(OCC(=O)N[C@H](C)COc2ccc(C)cc2)cc1 217840487 OFFZJFUQMITRPJ-OAHLLOKOSA-N 329.396 2.966 70 40 EFIB Cc1noc(C)c1CCC(=O)NC[C@](C)(O)c1cc2ccccc2o1 217987456 LTVADTCHJFLUJU-IBGZPJMESA-N 342.395 2.994 70 40 EFIB C[C@](O)(CNS(=O)(=O)c1cccs1)c1cc2ccccc2o1 217996803 HCLPPTVLCKLBSR-HNNXBMFYSA-N 337.422 2.680 70 40 EFIB O=S(=O)(c1ccccc1)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 217819857 WCKXXDLIQPFWTH-ZDUSSCGKSA-N 347.440 2.590 70 40 EFIB Cc1noc(C)c1C(=O)N1CCC[C@@]2(C1)OC(=O)c1ccccc12 217590353 HOCMCKMHZLODTK-SFHVURJKSA-N 326.352 2.593 70 40 EFIB COc1ccc(-c2nnc([C@@H]3CCCN(C(=O)C4CC4)C3)o2)cc1 216663793 LZUVCNFPRHLVRK-CQSZACIVSA-N 327.384 2.861 70 40 EFIB CCN1CCN(c2ccccc2NC2CCC3(CC2)OCCO3)CC1 161115318 PUPBROYMRPGYOJ-UHFFFAOYSA-N 345.487 2.926 70 40 EFIB CCS(=O)(=O)N1CCC[C@H](Cc2nc(-c3ccccc3C)no2)C1 217834451 BWZOSANHBJNYJY-CQSZACIVSA-N 349.456 2.649 70 40 EFIB CC(C)(C)c1ccc(C(=O)N2CC(N3C(=O)CSC3=O)C2)cc1 217746965 KNQFUKYVKUTRSL-UHFFFAOYSA-N 332.425 2.504 70 40 EFIB C[C@@](O)(CNS(=O)(=O)Cc1ccccc1)c1cc2ccccc2o1 217996910 QSFPAQDMRNIKJW-GOSISDBHSA-N 345.420 2.760 70 40 EFIB Cc1cccc(NC(=O)C(=O)NCC[C@@H](O)c2ccsc2)c1C 217541613 USYMOHOORUHQFX-OAHLLOKOSA-N 332.425 2.543 70 40 EFIB O=C(Nc1cnn(CC2CCOCC2)c1)c1ccc2nsnc2c1 218223164 JAQZWVDTVMCZBT-UHFFFAOYSA-N 343.412 2.567 70 40 EFIB CCCc1ccc(C(=O)N2CC[C@@H](N3C(=O)CSC3=O)C2)cc1 217781952 ZBQAXILLLMMVPH-CQSZACIVSA-N 332.425 2.549 70 40 EFIB COc1cccc(N2CCO[C@H]2c2cn(Cc3ccccc3)nn2)c1 216764230 GLEXSELPEZNMTG-IBGZPJMESA-N 336.395 2.870 70 40 EFIB [N-]=[N+]=NC(=O)c1cccn(Cc2ccc3c(c2)OC(F)(F)O3)c1=O 12338582 SUDMCTAQFMPRIG-UHFFFAOYSA-N 334.238 2.669 70 40 EFIB Cc1ccc(F)c(S(=O)(=O)N(C[C@H](C)O)C2CCCCC2)c1 160957821 RKISYWRKXRHTIC-ZDUSSCGKSA-N 329.437 2.838 70 40 EFIB Cc1cc(NC(=O)CCc2ccc(N)cc2)ccc1S(=O)(=O)F 104169589 RUZHISQRSKSARY-UHFFFAOYSA-N 336.388 2.807 70 40 EFIB CN(C)C(=S)Oc1cc(Cl)c(S(=O)(=O)F)cc1Cl 104162011 AKJDHKDFUSVMAG-UHFFFAOYSA-N 332.205 2.877 70 40 EFIB CC[C@@H](C)OCc1nn(CC(F)(F)F)cc1S(=O)(=O)Cl 408715489 SNAMAYZSULPWTH-SSDOTTSWSA-N 334.747 2.688 70 40 EFIB O=C(COc1ccccc1)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1 217655663 JTYRSSSWZKJUJX-KRWDZBQOSA-N 348.406 2.798 70 40 EFIB C[C@@H](Oc1ccccc1)C(=O)Nc1cccn(CC(F)(F)F)c1=O 159725768 ZRVQQZFEDVFBTB-LLVKDONJSA-N 340.301 2.817 70 40 EFIB Cn1ccc2c(C(=O)N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)cccc21 218099167 PLBPAHNVTHUNBW-LSDHHAIUSA-N 347.418 2.600 70 40 EFIB COc1cccc(N2CCC[C@@H](NC3CCC4(CC3)OCCO4)C2)c1 161507444 RGBHBWPWKZMSDZ-QGZVFWFLSA-N 346.471 2.939 70 40 EFIB COc1ccc(CCNC(=O)NCC[C@@H](O)c2ccsc2)cc1 217546744 CARMBRIJAAVJIS-MRXNPFEDSA-N 334.441 2.722 70 40 EFIB CCS(=O)(=O)N1CCC[C@@H](c2nnc(-c3ccc(C)cc3)o2)C1 216648077 QSTVCOZLTSOMIT-CQSZACIVSA-N 335.429 2.574 70 40 EFIB CSc1nc(Nc2ccc(F)cc2)cc(N2CCN(C)CC2)n1 216851110 KCWKQGILQOIPGC-UHFFFAOYSA-N 333.436 2.833 70 40 EFIB COc1ccccc1OCC(=O)NCCOc1ccccc1Cl 159379251 ZURBSFLFIAKSOO-UHFFFAOYSA-N 335.787 2.923 70 40 EFIB Cn1cccc1[C@H](O)CCNC(=O)c1ccc(OC(F)(F)F)cc1 217938117 ADMWYTAZUKYEAW-CQSZACIVSA-N 342.317 2.777 70 40 EFIB CCOCC(=O)N1CCC[C@@H](Cc2nc(-c3ccccc3C)no2)C1 217826783 YNKXZMAIDNCOSK-HNNXBMFYSA-N 343.427 2.863 70 40 EFIB CC[C@H](Oc1ccc(OC)cc1)C(=O)NCCC1CCN(C)CC1 216947362 ZGJDGASEDHAOMT-SFHVURJKSA-N 334.460 2.701 70 40 EFIB O=S(=O)(Cl)c1cc(Cl)cc(S(=O)(=O)Cl)c1Cl 100156375 XJRGBGMUGRPIHJ-UHFFFAOYSA-N 344.024 2.848 70 40 EFIB O=C(OCc1ccccc1)N1C[C@H]2CC[C@H]1[C@H](S(=O)(=O)Cl)C2 584905823 GMAWVKNPWBRHIL-MELADBBJSA-N 343.832 2.745 70 40 EFIB O=C(NCCOc1ccccc1Cl)[C@@H]1COc2ccccc2O1 159443252 ZXLLWGYBSXBLLY-INIZCTEOSA-N 333.771 2.675 70 40 EFIB CN1C(=O)c2ccccc2N(C)[C@@H]1c1cn(Cc2ccccc2)nn1 216756737 CIXZJITUQKIYQF-SFHVURJKSA-N 333.395 2.547 70 40 EFIB CC[C@H](NC(=O)COc1ccccc1)c1ccc(S(C)(=O)=O)cc1 217824231 XIAHHOFCHBOGNK-KRWDZBQOSA-N 347.436 2.736 70 40 EFIB Cc1c(Cl)cccc1S(=O)(=O)NCCSC1CCOCC1 217710365 BUPHSKKDWHDHER-UHFFFAOYSA-N 349.905 2.839 70 40 EFIB Fc1ccc(Cn2cc([C@@H]3OCCN3Cc3ccccc3)nn2)cc1 216772610 OVVKFLWIXKTYPW-IBGZPJMESA-N 338.386 2.997 70 40 EFIB CC1(C)C(=O)Nc2c1cc(Br)cc2S(=O)(=O)Cl 103582455 PPSZSUKLNCKYLB-UHFFFAOYSA-N 338.610 2.606 70 40 EFIB CN(C[C@@H]1CCCOC1)C(=O)Nc1ccnn1Cc1ccccc1F 160448152 GATAXXLUQBUWDV-AWEZNQCLSA-N 346.406 2.961 70 40 EFIB CCS(=O)(=O)N1CCC[C@@H](Cc2nc(-c3ccccc3C)no2)C1 217834542 BWZOSANHBJNYJY-AWEZNQCLSA-N 349.456 2.649 70 40 EFIB COc1ccc(OC[C@H](C)NC(=O)COc2ccccc2OC)cc1 217945817 QFNODOGFXVDGPA-AWEZNQCLSA-N 345.395 2.666 70 40 EFIB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)C1CCN(C)CC1 216924522 SDUWKAHLBOHNLB-MRXNPFEDSA-N 332.444 2.755 70 40 EFIB COc1ccc2c(c1)CCC[C@@]2(O)CNC(=O)NCc1ccccc1 218012878 SIYBRGPBQZNPOP-HXUWFJFHSA-N 340.423 2.719 70 40 EFIB Cc1ccc([C@H]2COCCN2C(=O)Nc2ccc([S@](C)=O)cc2)o1 161125296 YXOKEZLYRLTPHX-OYLFLEFRSA-N 348.424 2.931 70 40 EFIB NC(=S)[C@H]1[C@@H](S(=O)(=O)c2ccccc2)[C@H]1c1cccc(F)c1 218644102 MGMQYEPBINZPCI-ZNMIVQPWSA-N 335.425 2.668 70 40 EFIB CC1=C[C@@](C)(S(=O)(=O)Cl)[C@@H](S(=O)(=O)Cl)C(C)=C1C 100003972 MPUIPTMUUIRLRL-VHSXEESVSA-N 333.258 2.547 70 40 EFIB CC1=C(C)C(C)=C(S(=O)(=O)Cl)[C@@](C)(S(=O)(=O)Cl)C1 97972162 IJTFYWKTERYVBT-JTQLQIEISA-N 333.258 2.896 70 40 EFIB CC1=C[C@](C)(S(=O)(=O)Cl)[C@@H](S(=O)(=O)Cl)C(C)=C1C 100003976 MPUIPTMUUIRLRL-UWVGGRQHSA-N 333.258 2.547 70 40 EFIB O=C(c1cc(C2CC2)on1)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 217814188 PHPJDOVOIXEANN-NSHDSACASA-N 342.399 2.907 70 40 EFIB O=[N+]([O-])c1cc(OS(=O)(=O)C(F)(F)F)ccc1C(F)(F)F 247304933 GKWYHRXGTAFEDU-UHFFFAOYSA-N 339.169 2.842 70 40 EFIB Cc1ccc(NC(=O)CC2CCN(C)CC2)cc1N1CCCC1=O 216904607 IVNRTILZXGCDCS-UHFFFAOYSA-N 329.444 2.792 70 40 EFIB C[C@@](O)(CNC(=O)COc1ccccc1F)c1cc2ccccc2o1 217987644 IXJPCPBJPDFJFN-LJQANCHMSA-N 343.354 2.975 70 40 EFIB CN(C)c1cccc(C(=O)Nc2cnn(CC3CCOCC3)c2)c1 218222557 KBZACJBUZLRPCR-UHFFFAOYSA-N 328.416 2.628 70 40 EFIB COc1ccc(S(=O)(=O)NCCOc2ccccc2Cl)cc1 160087048 FZLBQJBIJQVZSG-UHFFFAOYSA-N 341.816 2.706 70 40 EFIB Cc1nc2ccccn2c1C(=O)Nc1cnn(CC2CCOCC2)c1 218220859 MJDPPIUQBAQDDQ-UHFFFAOYSA-N 339.399 2.518 70 40 EFIB O=C(Nc1cccc(S(=O)(=O)F)c1)Oc1ccc([N+](=O)[O-])cc1 104169070 SNFDOQNCKPTLBT-UHFFFAOYSA-N 340.288 2.864 70 40 EFIB CCc1ccc(S(=O)(=O)NCC[C@H](O)c2ccsc2)s1 217535785 HXAMCXRSAQIOEL-LBPRGKRZSA-N 331.484 2.774 70 40 EFIB COc1ccc2c(c1)CCC[C@@]2(O)CNC(=O)c1ccc(F)c(F)c1 218006941 WROZHJHNAIJPDU-LJQANCHMSA-N 347.361 2.927 70 40 EFIB O=C(COc1ccc2ccccc2c1)NCC[C@H](O)C1CCOCC1 217920030 QJNCFNPUVINZIT-IBGZPJMESA-N 343.423 2.512 70 40 EFIB O=C(COc1ccc2ccccc2c1)NCC[C@@H](O)C1CCOCC1 217920103 QJNCFNPUVINZIT-LJQANCHMSA-N 343.423 2.512 70 40 EFIB CN1CCC(CC(=O)Nc2ccccc2C(=O)N2CCCC2)CC1 216894386 OWXPMAZQLLMHJG-UHFFFAOYSA-N 329.444 2.593 70 40 EFIB CCCCn1cc(S(=O)(=O)Cl)c(COCC(F)(F)F)n1 408716379 MGYUBCTUUREBGO-UHFFFAOYSA-N 334.747 2.690 70 40 EFIB CC(C)OCc1nn(CCC(F)(F)F)cc1S(=O)(=O)Cl 408715659 ZKYUHRPVKJRUIQ-UHFFFAOYSA-N 334.747 2.688 70 40 EFIB CCN(CC)C(=O)COc1ccc(S(=O)(=O)Cl)cc1Cl 100010191 XFPCPFRUSROIKS-UHFFFAOYSA-N 340.228 2.515 70 40 EFIB CCc1nc([C@@H](C)NC(=O)Nc2ccnn2C[C@@H]2CCOC2)cs1 159649640 VSZJYPQFVKBWDF-NEPJUHHUSA-N 349.460 2.821 70 40 EFIB CC[C@H](C)OCc1c(S(=O)(=O)Cl)cnn1CC(F)(F)F 408716155 JMHNXKLNAHYITG-ZETCQYMHSA-N 334.747 2.688 70 40 EFIB O=[N+]([O-])c1cc(C(F)(F)F)ccc1OS(=O)(=O)C(F)(F)F 247357763 YKKVIPSOTRKWCU-UHFFFAOYSA-N 339.169 2.842 70 40 EFIB Cc1ccc([C@@H]2COCCN2C(=O)Nc2ccc([S@](C)=O)cc2)o1 161125174 YXOKEZLYRLTPHX-IZHWHUGBSA-N 348.424 2.931 70 40 EFIB O=C(CCc1c(F)cccc1Cl)N1CCC(n2ccnn2)CC1 217690146 LTLLMRHPOHHFEB-UHFFFAOYSA-N 336.798 2.867 70 40 EFIB Cc1ccc(Cn2cc([C@H]3N(C)C(=O)c4ccccc4N3C)nn2)cc1 216757042 KDHAUBIHCNSYEJ-LJQANCHMSA-N 347.422 2.855 70 40 EFIB COC(=O)CS[C@@H]1CCN(C(=O)c2ccc(F)cc2Cl)C1 217554160 BPEPZWJFHALQIA-SNVBAGLBSA-N 331.796 2.600 70 40 EFIB Cc1ccc([C@@H]2COCCN2C(=O)Nc2ccc([S@@](C)=O)cc2)o1 161125437 YXOKEZLYRLTPHX-OWJWWREXSA-N 348.424 2.931 70 40 EFIB Cc1ccc(Cn2cc([C@@H]3N(C)C(=O)c4ccccc4N3C)nn2)cc1 216757085 KDHAUBIHCNSYEJ-IBGZPJMESA-N 347.422 2.855 70 40 EFIB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](C(N)=S)[C@@H]2c2ccccc2)cc1 218054090 NFAJUOPBDPYOSC-HRCADAONSA-N 331.462 2.837 70 40 EFIB OC[C@H]1CCCN1c1cc(N[C@H]2CCCc3sccc32)ncn1 161071285 YHAOKMGYBKYEQS-OCCSQVGLSA-N 330.457 2.989 70 40 EFIB Cc1ccc([C@@H]2[C@H](C(N)=S)[C@@H]2S(=O)(=O)c2ccccc2)cc1 218552016 ZVQQLIXOUYOMEN-OWCLPIDISA-N 331.462 2.837 70 40 EFIB COc1cccc(N2CCO[C@@H]2c2cn(Cc3ccccc3)nn2)c1 216764176 GLEXSELPEZNMTG-LJQANCHMSA-N 336.395 2.870 70 40 EFIB CCCCNC(=O)c1ccccc1NC(=O)CC1CCN(C)CC1 216895944 ZUAROOKLABUNQG-UHFFFAOYSA-N 331.460 2.887 70 40 EFIB COc1ccc(OCC(=O)NCCOc2ccccc2Cl)cc1 159443720 HKIHFMSHQMOYOM-UHFFFAOYSA-N 335.787 2.923 70 40 EFIB Cc1nn(C)c(C)c1C(=O)NCCn1nc(-c2cccs2)cc1C 217875529 VQFKLYDTRYCREJ-UHFFFAOYSA-N 343.456 2.700 70 40 EFIB COc1ccc([C@H]2[C@H](C(N)=S)[C@@H]2S(=O)(=O)c2ccccc2)cc1 218103106 HWZUYYXCGMZSQT-HRCADAONSA-N 347.461 2.537 70 40 EFIB COc1ccccc1CCCNC(=O)COc1ccccc1OC 217945623 SFTVONIEIMCKHD-UHFFFAOYSA-N 329.396 2.832 70 40 EFIB CCc1ccc([C@H](COC)Nc2ccc(S(=O)(=O)F)cn2)o1 1614998921 HMJALTQONFCIJE-LBPRGKRZSA-N 328.365 2.695 70 40 EFIB COC(=O)c1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12 100025351 BDXDWDCWSCPFEW-UHFFFAOYSA-N 334.271 2.855 70 40 EFIB Cc1ccc([C@H]2[C@@H](C(N)=S)[C@@H]2S(=O)(=O)c2ccccc2)cc1 218552241 ZVQQLIXOUYOMEN-ARFHVFGLSA-N 331.462 2.837 70 40 EFIB O=S(=O)(NCC[C@H](O)c1ccsc1)c1ccccc1Cl 217535982 IRTOEUIHPRUWFM-LBPRGKRZSA-N 331.846 2.804 70 40 EFIB COC(=O)CS[C@H]1CCN(C(=O)c2ccc(F)cc2Cl)C1 217554231 BPEPZWJFHALQIA-JTQLQIEISA-N 331.796 2.600 70 40 EFIB Cc1noc(-c2ccsc2NC(=O)[C@H]2COc3ccccc3O2)n1 217649514 IXQJMDFYFTXSHO-CYBMUJFWSA-N 343.364 2.885 70 40 EFIB CC[C@H](NC(=O)c1cccc(OC)c1)c1ccc(S(C)(=O)=O)cc1 217940482 IXZWAJLMNLKUCF-KRWDZBQOSA-N 347.436 2.980 70 40 EFIB COc1ccc(Nc2cc(N3CCN(C)CC3)nc(SC)n2)cc1 216851966 FVESILJQYLXMNJ-UHFFFAOYSA-N 345.472 2.703 70 40 EFIB CSc1c(C#N)c(-c2ccc(S(=O)(=O)Cl)s2)nn1C 95676602 VYTOKBLGOHNUJZ-UHFFFAOYSA-N 333.847 2.670 70 40 EFIB O=C1O[C@@]2(CCCN(C(=O)COc3ccccc3)C2)c2ccccc21 217556288 SZLXMXYVTXUUSC-HXUWFJFHSA-N 337.375 2.754 70 40 EFIB CC(C)(C)OC(=O)N1C=C(OS(=O)(=O)C(F)(F)F)CCC1 100152402 ZRKPIWQNLHUKOY-UHFFFAOYSA-N 331.312 2.725 70 40 EFIB in-vitro COc1ccc(S(=O)(=O)Cl)cc1-c1noc(C(F)(F)F)n1 100003377 SSWRSAMOOFPUPV-UHFFFAOYSA-N 342.682 2.692 70 40 EFIB COc1ccc(CNC(=O)Nc2cnn(CC3CCOCC3)c2)cc1 218236844 AXZAMRHYXXLPPG-UHFFFAOYSA-N 344.415 2.640 70 40 EFIB COC1CCN(C2CCN(C(=O)Cc3cccc(C)c3)CC2)CC1 217752853 ZNADLJHCBWYYQG-UHFFFAOYSA-N 330.472 2.639 70 40 EFIB O=C(NCCn1nc(-c2ccsc2)cc1C1CC1)N1CCOCC1 217881290 WBQJKRXYSHUJHB-UHFFFAOYSA-N 346.456 2.531 70 40 EFIB Cc1cccc(OCC(=O)NC[C@H]2CCCN(c3nccs3)C2)c1 218119062 LYQWJKZONXJARO-OAHLLOKOSA-N 345.468 2.863 70 40 EFIB COC(=O)CS[C@H]1CCN(C(=O)Cc2cccc3ccccc23)C1 217564912 WWDWLERDDOAFPM-INIZCTEOSA-N 343.448 2.889 70 40 EFIB COc1ccccc1CCCNC(=O)[C@@H]1COc2ccccc2O1 218297836 KBGJZTRFFVTGLM-SFHVURJKSA-N 327.380 2.584 70 40 EFIB COc1ccc([C@@H]2[C@@H](C(N)=S)[C@@H]2S(=O)(=O)c2ccccc2)cc1 218103189 HWZUYYXCGMZSQT-BZUAXINKSA-N 347.461 2.537 70 40 EFIB COc1cc(=O)n(-c2ccccc2)cc1C(=O)N1[C@H]2C=CC[C@H]1CC2 218748754 IZGBUQGNPXUMDF-HOTGVXAUSA-N 336.391 2.779 70 40 EFIB O=C(NCc1cccs1)NC[C@H]1CCCN(c2nccs2)C1 218172517 GZQCDLLFANBIBT-GFCCVEGCSA-N 336.486 2.920 70 40 EFIB COC(=O)CS[C@H]1CCN(C(=O)CCSc2ccccc2)C1 217555759 VQDQNJGNISYCPH-AWEZNQCLSA-N 339.482 2.676 70 40 EFIB O=C(Cc1cccs1)N1CCN(c2nc3ccccc3[nH]2)CC1 160170836 QNXVBCHHVKQIPN-UHFFFAOYSA-N 326.425 2.516 70 40 EFIB Fc1ccc(Cn2cc([C@H]3OCCN3Cc3ccco3)nn2)cc1 216780285 JXOULABNVDKPDF-QGZVFWFLSA-N 328.347 2.590 70 40 EFIB C[Si](C)(C)c1cc(F)c(F)cc1OS(=O)(=O)C(F)(F)F 196007725 GUGUHTNPVWUWOK-UHFFFAOYSA-N 334.338 2.738 70 40 EFIB CC(=O)NC(C)(C)c1noc(Cc2cccc(OC(F)(F)F)c2)n1 160999987 KBNMFKUISMSHFY-UHFFFAOYSA-N 343.305 2.930 70 40 EFIB COc1ccc([C@H]2[C@@H](C(N)=S)[C@@H]2S(=O)(=O)c2ccccc2)cc1 218103261 HWZUYYXCGMZSQT-ARFHVFGLSA-N 347.461 2.537 70 40 EFIB CN1CCC(C(=O)Nc2ccccc2C(=O)N2CCCCCC2)CC1 216921035 FPZQVGUSGTZMTI-UHFFFAOYSA-N 343.471 2.983 70 40 EFIB O=C(Cc1noc2ccccc12)Nc1cnn(CC2CCOCC2)c1 218200312 RKJSMRMPYNBELE-UHFFFAOYSA-N 340.383 2.632 70 40 EFIB COc1ccccc1Nc1cc(N2CCN(C)CC2)nc(SC)n1 216851882 OABXXWWWVQGERU-UHFFFAOYSA-N 345.472 2.703 70 40 EFIB CN1CCN(c2cc(Nc3ccc(C(F)(F)F)cc3)ncn2)CC1 216847167 IUGGRRHGYIYCDT-UHFFFAOYSA-N 337.349 2.991 70 40 EFIB CN(C)C(=S)Oc1c(Cl)cc(S(=O)(=O)F)cc1Cl 104161437 BVOIYFLWYGDMCE-UHFFFAOYSA-N 332.205 2.877 70 40 EFIB O=S(=O)(NCC[C@@H](O)c1ccsc1)c1ccccc1Cl 217536058 IRTOEUIHPRUWFM-GFCCVEGCSA-N 331.846 2.804 70 40 EFIB CN(C[C@H]1CCCOC1)C(=O)Nc1ccnn1Cc1ccccc1F 160448294 GATAXXLUQBUWDV-CQSZACIVSA-N 346.406 2.961 70 40 EFIB CC(C)COCc1nn(CC(F)(F)F)cc1S(=O)(=O)Cl 408715624 XUCHEWVNJSMHKY-UHFFFAOYSA-N 334.747 2.546 70 40 EFIB O=C(NC[C@@H]1CCCN1c1nccs1)c1ccc2nsnc2c1 217595432 SZSHDOMMUNTSNS-NSHDSACASA-N 345.453 2.547 70 40 EFIB CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCCC1CCN(C)CC1 216947343 ZGJDGASEDHAOMT-GOSISDBHSA-N 334.460 2.701 70 40 EFIB Cn1cccc1[C@@H](O)CCNC(=O)c1ccc(OC(F)(F)F)cc1 217938192 ADMWYTAZUKYEAW-AWEZNQCLSA-N 342.317 2.777 70 40 EFIB O=S(=O)(Cl)c1cnn(CCC(F)(F)F)c1Br 408716801 RABOORPUBBPQDS-UHFFFAOYSA-N 341.536 2.526 70 40 EFIB CC[C@@H](NC(=O)N1CCN(Cc2ccccn2)CC1)c1nccs1 160334501 WANPPFDHLCFWCE-OAHLLOKOSA-N 345.472 2.517 70 40 EFIB C[C@@](O)(CNC(=O)c1ccc2c(c1)OCO2)c1cc2ccccc2o1 217986213 AQTUWISSCSDSPX-LJQANCHMSA-N 339.347 2.799 70 40 EFIB COC(=O)c1c(NC(=O)C2CCN(C)CC2)sc2c1CCCC2 216920565 WUKJLHPHIDASDI-UHFFFAOYSA-N 336.457 2.694 70 40 EFIB CC(C)(CO)NC(=O)[C@@]12C[C@@H]3C[C@@H](C[C@@](Br)(C3)C1)C2 217761877 QVSLRBGKSOFFBH-AGCIHXOGSA-N 330.266 2.607 70 40 EFIB