smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCOc1ccccc1-n1ccc([C@@H]2OCCN2c2ccccc2)c1 216712024 YBSDMBOARUESGS-NRFANRHFSA-N 334.419 4.411 70 40 EIIB CCOc1cccc(-n2ccc([C@H]3OCCN3Cc3ccco3)c2)c1 216747895 TYRTWQWFSUQKGL-HXUWFJFHSA-N 338.407 4.000 70 40 EIIB CN(CCNC(=O)/C=C/c1ccc(Cl)cc1Cl)c1ccccc1 217905781 MTOIKQKKJTVRLG-CSKARUKUSA-N 349.261 4.259 70 40 EIIB CCc1ccc(-n2ccc([C@@H]3N(C)C(=O)c4ccccc4N3C)c2)cc1 216714113 QTXIXRQFRDWSRA-NRFANRHFSA-N 345.446 4.260 70 40 EIIB Cc1cccc(CN2CCO[C@H]2c2ccn(-c3ccc(F)cc3)c2)c1 216740457 CMEFDGYQRDTGMQ-NRFANRHFSA-N 336.410 4.456 70 40 EIIB COc1ccc([C@@H]2SCCN2C(=O)c2ccc(Cl)s2)cc1 217628291 NXNSHDKALAZUGU-HNNXBMFYSA-N 339.869 4.298 70 40 EIIB Cc1ccc(SCCC(=O)N[C@H](C)COc2ccccc2C)cc1 218148653 ULENQXRVALJPAZ-QGZVFWFLSA-N 343.492 4.369 70 40 EIIB COc1ccc(S(F)(F)(F)(F)F)cc1S(=O)(=O)Cl 103625327 QSSTWEUYGVCCQN-UHFFFAOYSA-N 332.699 4.280 70 40 EIIB Fc1ccc(N2CCO[C@@H]2c2ccn(-c3ccc(F)cc3)c2)cc1 216732150 OEUMEDILFFPXBH-LJQANCHMSA-N 326.346 4.291 70 40 EIIB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(Cl)cc1 217850686 XPNYGHFYIFSUPE-MRXNPFEDSA-N 345.826 4.381 70 40 EIIB CC[C@@H](NC(=O)/C=C/c1ccc2c(c1)OCO2)c1ccc(C)c(C)c1 217931051 AKRYWMBHBJKEQE-RUJXFNLJSA-N 337.419 4.313 70 40 EIIB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccccc1Cl 217847544 RDHRONRUUDAFNW-INIZCTEOSA-N 345.826 4.381 70 40 EIIB CCN1C(=O)CS[C@H]1c1ccn(-c2ccccc2C(F)(F)F)c1 216708752 LKYUBAADPIRMGJ-HNNXBMFYSA-N 340.370 4.090 70 40 EIIB CCOc1ccccc1C(=O)NCC1(c2ccsc2)CCCC1 217481215 QJSQKDVORDNUNK-UHFFFAOYSA-N 329.465 4.389 70 40 EIIB COc1ccccc1C(=O)N[C@@H]1CC(C)(C)Oc2cc(C)ccc21 218168781 BKNMSVFXGBXOLV-MRXNPFEDSA-N 325.408 4.036 70 40 EIIB COc1ccc(CCCNC(=O)[C@@H](C)SCc2ccccc2)cc1 218066600 YRUKUEJEBFOCBW-MRXNPFEDSA-N 343.492 4.066 70 40 EIIB Cc1ccccc1OC[C@H](C)NC(=O)[C@H](C)SCc1ccccc1 218068886 DYKDKAGXCNFBLN-IRXDYDNUSA-N 343.492 4.200 70 40 EIIB Cc1ccc(OCCNC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1 217987559 LZKRKJBGNTUCFJ-AWEZNQCLSA-N 349.883 4.324 70 40 EIIB CC[C@H](NC(=S)Nc1ccccc1)c1ccc(OC)c(OC)c1 217937602 VWSUQORJMLRPJU-HNNXBMFYSA-N 330.453 4.142 70 40 EIIB COc1ccc(C(=O)NC[C@@]23C[C@@H]4C[C@@](C)(C[C@@](C)(C4)C2)C3)cc1 217742909 VSQUKEYFHHDLQE-JSLIGUPSSA-N 327.468 4.422 70 40 EIIB COc1ccc(C(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)cc1 217844224 FUOZMFYODBXPFE-KRWDZBQOSA-N 325.408 4.036 70 40 EIIB CN1CCC[C@H](C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)C1 216909094 UMQRYCWZBFBHBG-AWEZNQCLSA-N 344.842 4.413 70 40 EIIB COc1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)cc1 217844154 FUOZMFYODBXPFE-QGZVFWFLSA-N 325.408 4.036 70 40 EIIB Cc1ccc(OC[C@H](C)NC(=O)/C=C/c2ccc(Cl)cc2)cc1 217959610 IEUBSUKFZRJGFE-BLMSOEDDSA-N 329.827 4.245 70 40 EIIB Cc1ccccc1NC(=O)NC[C@@](C)(O)c1cc2ccccc2s1 217521439 KAXSJWXXEBVFDF-LJQANCHMSA-N 340.448 4.239 70 40 EIIB CC[C@@H](NC(=O)c1ccc(OC)c(OC)c1)c1ccc(C)cc1C 217880949 FLNQWHUYZCGPTB-QGZVFWFLSA-N 327.424 4.202 70 40 EIIB CC[C@@H](NC(=O)CCc1ccc(C)cc1)c1ccc(OC)c(OC)c1 218536384 OYSQBYGQQJIJFL-GOSISDBHSA-N 341.451 4.212 70 40 EIIB Cc1ccc(OCC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1C 218721043 ZABDROZXUJMERD-SFHVURJKSA-N 339.435 4.101 70 40 EIIB COc1ccc(-n2ccc([C@@H]3OCCN3c3ccc(C)cc3)c2)cc1 216719324 NDNNYJOPXPPQMQ-NRFANRHFSA-N 334.419 4.330 70 40 EIIB CC[C@@H](NC(=O)[C@H](C)Oc1ccc(OC)cc1)c1ccc(C)cc1C 218752441 NYUFUGZAAROTKM-OXJNMPFZSA-N 341.451 4.347 70 40 EIIB COc1cccc(CCCNC(=O)[C@H](C)SCc2ccccc2)c1 218066495 LDACWALDWWNMJD-INIZCTEOSA-N 343.492 4.066 70 40 EIIB Nc1cccc(CCCCc2ccc(Cl)c(S(=O)(=O)F)c2)c1 104137840 AGDZCLOJUBDZMV-UHFFFAOYSA-N 341.835 4.146 70 40 EIIB COc1ccccc1-n1ccc([C@@H]2OCCN2c2ccc(F)cc2)c1 216732686 WJNKIPVWOJNIEG-FQEVSTJZSA-N 338.382 4.160 70 40 EIIB Fc1ccc(N2CCO[C@@H]2c2ccn(-c3cccc(F)c3)c2)cc1 216733539 DHDHOVYNFPBMPO-LJQANCHMSA-N 326.346 4.291 70 40 EIIB CC[C@@H](NC(=O)c1ccc(Cl)cc1)c1ccc(OC)c(OC)c1 217851140 XHPIZCQULIPBKP-OAHLLOKOSA-N 333.815 4.238 70 40 EIIB Cc1ccc(S(=O)(=O)N2CCCC[C@H](c3ccccc3)C2)s1 217288390 YOTQJAKVQOTIDL-INIZCTEOSA-N 335.494 4.015 70 40 EIIB COc1ccccc1CNC(=O)/C(=C/c1ccco1)c1ccccc1 218096029 NXMKIAJFJNHNIS-XMHGGMMESA-N 333.387 4.145 70 40 EIIB CN1CCC[C@H](C(=O)Nc2ccc(CSc3ccccc3)cc2)C1 216906926 IRYAKJJOLSLVBB-KRWDZBQOSA-N 340.492 4.259 70 40 EIIB CCN1C(=O)CS[C@@H]1c1ccn(-c2ccc(C(F)(F)F)cc2)c1 216708821 VLZVINCSJAKVIW-OAHLLOKOSA-N 340.370 4.090 70 40 EIIB O=C1CS[C@H](c2ccn(-c3ccccc3)c2)N1Cc1ccccc1 216672796 XXQXOVXHCIVGHU-HXUWFJFHSA-N 334.444 4.252 70 40 EIIB Cc1ccc([C@@H]2CCCCN2C(=O)Nc2ccc([S@@](C)=O)cc2)o1 161127656 OZJLLWBILSQPGW-FYSMJZIKSA-N 346.452 4.085 70 40 EIIB CCN1C(=O)CS[C@H]1c1ccn(-c2cccc(C(F)(F)F)c2)c1 216708097 BFPPYBKHXNEBMG-HNNXBMFYSA-N 340.370 4.090 70 40 EIIB CC1(C)[C@]2(C)CC[C@]1(C(=O)N[C@@H]1C[C@H]3CC[C@@]1(C)C3(C)C)CC2=O 217436074 BMSMPYBXRWNIIJ-BBBDVEMZSA-N 331.500 4.103 70 40 EIIB O=C(Cn1ccc2ccccc21)N1CCCC[C@H](c2ccccc2)C1 217287052 WBTUXKVKKVEJKC-FQEVSTJZSA-N 332.447 4.438 70 40 EIIB COc1cccc(Nc2nc(-c3ccc(OC)c(N)c3)cs2)c1 217687641 OUIKFHMRZDNAHQ-UHFFFAOYSA-N 327.409 4.153 70 40 EIIB Cc1ccc(OC[C@H](C)NC(=O)/C=C/c2ccccc2Cl)cc1 217901296 HRJSYBSUFKCVIN-RZXPCSSPSA-N 329.827 4.245 70 40 EIIB Cc1ccccc1NC(=O)NC[C@](C)(O)c1cc2ccccc2s1 217521355 KAXSJWXXEBVFDF-IBGZPJMESA-N 340.448 4.239 70 40 EIIB O=C(Nc1c(F)cccc1F)N1CCS[C@H]1c1ccc(F)cc1 217635226 IFQFQGWODQYWPC-HNNXBMFYSA-N 338.354 4.383 70 40 EIIB COc1cccc(-n2ccc([C@@H]3OCCN3Cc3cccc(C)c3)c2)c1 216740517 VZICWDPOHGMBJQ-QFIPXVFZSA-N 348.446 4.325 70 40 EIIB Cc1cc(C)cc(OCC(=O)NCCCc2ccc(Cl)cc2)c1 218692155 CVUQHVOYNZHLQO-UHFFFAOYSA-N 331.843 4.085 70 40 EIIB Cc1ccc(S[C@H](C)C(=O)NCCCc2ccc(F)cc2)cc1 218136308 YGUSPEUXBZAPEU-OAHLLOKOSA-N 331.456 4.364 70 40 EIIB CO[C@@H](CNC(=O)c1ccccc1SC)c1ccccc1Cl 218315082 TZURMIASTUYDMA-HNNXBMFYSA-N 335.856 4.179 70 40 EIIB CCOc1ccc(-n2ccc([C@@H]3OCCN3c3ccccc3)c2)cc1 216711214 BBYDYTZYYCRFIY-NRFANRHFSA-N 334.419 4.411 70 40 EIIB CC(C)Oc1cccc(CCCNC(=O)CSc2ccccc2)c1 217971387 ROMWBBWMNOPMMS-UHFFFAOYSA-N 343.492 4.315 70 40 EIIB CO[C@H](CNC(=O)c1ccccc1SC)c1ccccc1Cl 218315164 TZURMIASTUYDMA-OAHLLOKOSA-N 335.856 4.179 70 40 EIIB Cc1ccc(S(=O)(=O)N2CCCC[C@@H](c3ccccc3)C2)s1 217288392 YOTQJAKVQOTIDL-MRXNPFEDSA-N 335.494 4.015 70 40 EIIB Cc1ccc(OC[C@@H](C)NC(=O)/C=C/c2ccc(Cl)cc2)cc1 217959554 IEUBSUKFZRJGFE-CUXKMMBLSA-N 329.827 4.245 70 40 EIIB COc1ccccc1N1CCO[C@H]1c1ccn(-c2ccccc2C)c1 216720580 DIJWFGSABQFLIE-NRFANRHFSA-N 334.419 4.330 70 40 EIIB CCOc1ccc(CCCNC(=O)CCc2ccc(C)cc2)cc1 218534227 UICPYKHYPLSHNF-UHFFFAOYSA-N 325.452 4.075 70 40 EIIB Cc1ccc(OCC(=O)NCCCc2ccc(Cl)cc2)cc1C 218719847 LEZAOLKTAFPKGD-UHFFFAOYSA-N 331.843 4.085 70 40 EIIB COC(=O)c1cn(C(=O)c2ccc3ccccc3c2)c2ccccc12 216951230 YYEIZHAGQKYZGQ-UHFFFAOYSA-N 329.355 4.270 70 40 EIIB CC[C@H](NC(=O)/C=C/c1ccc2c(c1)OCO2)c1ccc(C)cc1C 217931290 UTVXVEGXZFEHEU-HKMNZKMDSA-N 337.419 4.313 70 40 EIIB Cc1ccccc1CSCC(=O)NCCCc1ccc(F)cc1 218014254 AOLBVRUHUCPUAV-UHFFFAOYSA-N 331.456 4.116 70 40 EIIB COc1ccccc1-n1ccc([C@H]2OCCN2Cc2cccc(C)c2)c1 216740993 WEPJNUYEYJWVJL-JOCHJYFZSA-N 348.446 4.325 70 40 EIIB O=C(NCC[C@H](O)c1ccsc1)Nc1cccc(C(F)(F)F)c1 217547239 JVHAGWVWZDVLAN-ZDUSSCGKSA-N 344.358 4.012 70 40 EIIB COc1ccc(-n2ccc([C@H]3OCCN3Cc3ccccc3)c2)cc1 216735557 UDJJYWPFYSPDKN-OAQYLSRUSA-N 334.419 4.017 70 40 EIIB Cc1ccc(S[C@@H](C)C(=O)NCCCc2ccc(F)cc2)cc1 218136224 YGUSPEUXBZAPEU-HNNXBMFYSA-N 331.456 4.364 70 40 EIIB Cc1cc(C(=O)N(Cc2cc(C3CC3)n(C)n2)C2CCCC2)c(C)o1 217899691 BPDYVHTUUWHSMT-UHFFFAOYSA-N 341.455 4.092 70 40 EIIB COc1cccc(CCCNC(=O)[C@@H](C)SCc2ccccc2)c1 218066409 LDACWALDWWNMJD-MRXNPFEDSA-N 343.492 4.066 70 40 EIIB Cc1ccc(OC[C@H](C)NC(=O)CCSc2ccccc2)cc1 218081262 DPWXICRYBCWSFJ-INIZCTEOSA-N 329.465 4.061 70 40 EIIB Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)cc1 217858336 BVAMDAFFUNJAIY-MRXNPFEDSA-N 325.452 4.490 70 40 EIIB CCOc1cccc(-n2ccc([C@@H]3OCCN3c3ccccc3)c2)c1 216712135 YLRLAGRVSZKOLV-NRFANRHFSA-N 334.419 4.411 70 40 EIIB Cc1ccc(NC(=O)C(F)(F)F)cc1-c1cc2ccccc2oc1=O 216938279 CWGYDQXTDWMAKD-UHFFFAOYSA-N 347.292 4.269 70 40 EIIB O=C(c1ccoc1)N1CCS[C@H]1c1ccc(Cl)c(Cl)c1 217641940 QFKNAZJYDAWWCQ-AWEZNQCLSA-N 328.220 4.474 70 40 EIIB COc1ccc(CCCNC(=O)CSc2ccc(Cl)cc2)cc1 217980562 UQVDEKMDVJAILL-UHFFFAOYSA-N 349.883 4.190 70 40 EIIB Cc1cc(C)cc(OCC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)c1 218693222 ZJYUILIADMCDMH-GOSISDBHSA-N 339.435 4.101 70 40 EIIB Cc1ccc(OC[C@@H](C)NC(=O)CSc2ccc(Cl)cc2)cc1 217981741 JVBNAMPBSKKOIN-CQSZACIVSA-N 349.883 4.324 70 40 EIIB Cc1ccccc1CSCC(=O)NCc1cccc(OC(C)C)c1 218013429 XVGMJRMCPSORKL-UHFFFAOYSA-N 343.492 4.332 70 40 EIIB COc1cccc(-n2ccc([C@H]3OCCN3c3cccc(C)c3)c2)c1 216716064 VSSGTLIFAJMORG-OAQYLSRUSA-N 334.419 4.330 70 40 EIIB CC[C@H](NC(=O)CSc1ccccc1)c1ccc(OC)c(OC)c1 217973909 YXUMIBNLHAWACS-INIZCTEOSA-N 345.464 4.063 70 40 EIIB C[C@](O)(CNC(=O)Nc1ccccc1Cl)c1cc2ccccc2o1 218004659 FXNZFVRRLOLMOW-SFHVURJKSA-N 344.798 4.115 70 40 EIIB Cc1ccc(CN2CCO[C@H]2c2ccn(-c3cccc(F)c3)c2)cc1 216739180 SFEVODREYVOCGB-NRFANRHFSA-N 336.410 4.456 70 40 EIIB CC[C@@H](NC(=O)/C=C/c1ccc2c(c1)OCO2)c1ccc(C)cc1C 217931216 UTVXVEGXZFEHEU-RUJXFNLJSA-N 337.419 4.313 70 40 EIIB COc1cccc(-n2ccc([C@H]3OCCN3Cc3ccccc3)c2)c1 216734958 QEKMOEDCLDUOEN-OAQYLSRUSA-N 334.419 4.017 70 40 EIIB O=c1[nH]c2c(s1)[C@H](c1ccc(F)cc1)[C@@H]1[C@@H]3CC[C@@H](C3)[C@H]1S2 217629580 XCRBMTDUYFRNSW-GPXIKIIXSA-N 333.453 4.228 70 40 EIIB Cc1ccc(/C=C/C(=O)N(C)Cc2nc(-c3ccc(C)cc3)no2)cc1 218182448 CXINYQROBDFMLH-JLHYYAGUSA-N 347.418 4.025 70 40 EIIB CC[C@@H](NC(=O)[C@H](C)Oc1ccc(OC)cc1)c1ccc(C)c(C)c1 218752210 PPQDTNFARJCCKD-OXJNMPFZSA-N 341.451 4.347 70 40 EIIB COc1ccc(CNC(=O)NCC2(c3ccsc3)CCCC2)cc1 217486910 QXEIQTDQJGAPCE-UHFFFAOYSA-N 344.480 4.068 70 40 EIIB Cc1oncc1C(=O)N1CCS[C@H]1c1ccc(Cl)c(Cl)c1 217642142 IWRRLGYWFDGHKB-AWEZNQCLSA-N 343.235 4.178 70 40 EIIB COc1cccc(C(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)c1 217939093 HGRBRIXZUIYMNQ-QGZVFWFLSA-N 325.408 4.036 70 40 EIIB COc1ccccc1CCCNC(=O)CSc1ccc(Cl)cc1 217980393 XQSMQCWYVOQTIP-UHFFFAOYSA-N 349.883 4.190 70 40 EIIB COc1ccc(-n2ccc([C@H]3OCCN3c3cccc(C)c3)c2)cc1 216716645 LAOSPJXAHRVSLN-OAQYLSRUSA-N 334.419 4.330 70 40 EIIB COc1ccc2c(c1)[C@H](NC(=S)Nc1ccccc1)CC(C)(C)O2 217937225 USXRFWSIEPGETR-MRXNPFEDSA-N 342.464 4.284 70 40 EIIB O=C1CS[C@@H](c2ccn(-c3ccccc3)c2)N1Cc1ccccc1 216672752 XXQXOVXHCIVGHU-FQEVSTJZSA-N 334.444 4.252 70 40 EIIB COc1cccc(-n2ccc([C@@H]3OCCN3c3ccc(F)cc3)c2)c1 216732216 YXMVBDJSJFOZJZ-FQEVSTJZSA-N 338.382 4.160 70 40 EIIB Cc1oncc1C(=O)N1CCS[C@@H]1c1ccc(Cl)c(Cl)c1 217642057 IWRRLGYWFDGHKB-CQSZACIVSA-N 343.235 4.178 70 40 EIIB O=C(NCCn1ccc(-c2ccsc2)n1)c1cccc2ccccc12 217884772 GNPVJXBZYSGBOG-UHFFFAOYSA-N 347.443 4.195 70 40 EIIB Cc1cc(C)cc(OCC(=O)NCCCc2ccccc2Cl)c1 218692072 XUFHJEDBQBBIBL-UHFFFAOYSA-N 331.843 4.085 70 40 EIIB CSC1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1c(F)cccc1Cl 217667636 RLFHSOBDGTYZKO-FUNVUKJBSA-N 341.879 4.297 70 40 EIIB C[C@]12C[C@@H]3C[C@](C)(C1)C[C@@](CNC(=O)COc1ccccc1)(C3)C2 217746136 QJTXWWPOTFUUSK-VWKCVOICSA-N 327.468 4.178 70 40 EIIB C1=CC(=P(c2ccccc2)(c2ccccc2)c2ccccc2)C=C1 73257926 MXGWLWRROFTJDZ-UHFFFAOYSA-N 326.379 4.279 70 40 EIIB Cn1nc(CN(C(=O)c2ccccc2F)C2CCCC2)cc1C1CC1 217898515 CKOZLLRHSMNFQM-UHFFFAOYSA-N 341.430 4.022 70 40 EIIB Cc1cccc(O[C@@H](C)C(=O)NCCCc2ccccc2Cl)c1 218683692 QUIQLOIOTRLUSR-HNNXBMFYSA-N 331.843 4.165 70 40 EIIB COc1cccc(CCCNC(=O)/C=C/c2ccc(Cl)cc2)c1 217958148 KJZBCOKZTULSDM-FMIVXFBMSA-N 329.827 4.111 70 40 EIIB COc1ccc(CCCNC(=O)[C@H](C)Sc2ccc(C)cc2)cc1 218136837 OCEIJSUVQDPZSJ-INIZCTEOSA-N 343.492 4.233 70 40 EIIB COc1ccccc1N1CCO[C@@H]1c1ccn(-c2ccc(C)cc2)c1 216720766 ILTXHDFVBGDMTD-OAQYLSRUSA-N 334.419 4.330 70 40 EIIB O=C(c1ccc(Cl)s1)N1CCS[C@H]1c1cccc(F)c1 217634266 BMZGNSDLYDRGAU-AWEZNQCLSA-N 327.833 4.428 70 40 EIIB COc1ccc(CN2CCO[C@@H]2c2ccn(-c3ccc(C)cc3)c2)cc1 216742919 GUVTWZZMTCKHCP-JOCHJYFZSA-N 348.446 4.325 70 40 EIIB CC1(C)C[C@@H](NC(=O)COc2ccc(Cl)cc2)c2ccccc2O1 217830748 KFVXJSOJBBCUGP-MRXNPFEDSA-N 345.826 4.137 70 40 EIIB Cc1ccc(SCCC(=O)NCCCc2ccc(F)cc2)cc1 218147043 CGLLBUGMDZEACJ-UHFFFAOYSA-N 331.456 4.365 70 40 EIIB CC1(C)C[C@H](NC(=O)CSCc2ccccc2)c2ccccc2O1 218009193 OZCQSYUUPMVXQA-KRWDZBQOSA-N 341.476 4.338 70 40 EIIB COc1ccccc1N1CCO[C@@H]1c1ccn(-c2cccc(C)c2)c1 216720649 HDJJFCKWOMUBDK-OAQYLSRUSA-N 334.419 4.330 70 40 EIIB COc1ccc(/C=C/C(=O)NCCCc2ccccc2Cl)cc1 217916920 BTVJGGNUWYKADA-JLHYYAGUSA-N 329.827 4.111 70 40 EIIB CC(C)Oc1cccc(CNC(=O)[C@H](C)Sc2ccccc2)c1 218054994 XVWCYSIOQMPFBR-HNNXBMFYSA-N 329.465 4.271 70 40 EIIB Cn1ccc2cccc(C(=O)Oc3c(F)c(F)c(F)c(F)c3F)c21 100041608 UEOKRSIJVAQHID-UHFFFAOYSA-N 341.235 4.093 70 40 EIIB COc1cccc(-n2ccc([C@H]3OCCN3c3ccc(C)cc3)c2)c1 216718793 MCBOVHLJHVCOEJ-OAQYLSRUSA-N 334.419 4.330 70 40 EIIB COC(=O)c1cccc(Cn2ccc(-c3cc4ccccc4o3)n2)c1 216690019 WZYCPAHGMLEJDG-UHFFFAOYSA-N 332.359 4.131 70 40 EIIB CC[C@H](NC(=O)/C=C/c1ccc2c(c1)OCO2)c1ccc(C)c(C)c1 217931122 AKRYWMBHBJKEQE-HKMNZKMDSA-N 337.419 4.313 70 40 EIIB Cc1ccccc1OC[C@@H](C)NC(=O)[C@@H](C)SCc1ccccc1 218068731 DYKDKAGXCNFBLN-IAGOWNOFSA-N 343.492 4.200 70 40 EIIB CCOc1cccc(-n2ccc([C@H]3OCCN3c3ccccc3)c2)c1 216712183 YLRLAGRVSZKOLV-OAQYLSRUSA-N 334.419 4.411 70 40 EIIB COc1ccc2c(c1)[C@H](NC(=O)CCc1ccccc1)CC(C)(C)O2 218172803 YXNQLIFSHIIOAO-GOSISDBHSA-N 339.435 4.046 70 40 EIIB CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(F)cc1)c1ccc(C)cc1C 218703556 KZUAPMDTVKZLNT-DNVCBOLYSA-N 329.415 4.477 70 40 EIIB COc1ccc(CCCNC(=O)/C=C/c2ccccc2Cl)cc1 217899814 CDDWKLGKHHNPDP-JLHYYAGUSA-N 329.827 4.111 70 40 EIIB O=C(Nc1c(F)cccc1F)N1CCS[C@@H]1c1ccc(F)cc1 217635140 IFQFQGWODQYWPC-OAHLLOKOSA-N 338.354 4.383 70 40 EIIB Cc1ccc(S[C@@H](C)C(=O)N[C@H](C)COc2ccccc2C)cc1 218138903 MADUPPZVAYINCF-SJORKVTESA-N 343.492 4.368 70 40 EIIB CCC[C@H](C)Oc1ccc2c(c1)c(C(=O)OCC)c(C)n2CCOC 217763471 PDBVUMYLCVFTJH-AWEZNQCLSA-N 347.455 4.340 70 40 EIIB Cc1ccc(S[C@@H](C)C(=O)N[C@@H](C)COc2ccccc2C)cc1 218138766 MADUPPZVAYINCF-IRXDYDNUSA-N 343.492 4.368 70 40 EIIB O=C(c1ccc2nsnc2c1)N1CCCC[C@H](c2ccccc2)C1 217287975 LOZZNNVDEOJCOM-INIZCTEOSA-N 337.448 4.101 70 40 EIIB COc1ccc(C(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)cc1 217844432 AVKQDRYQQRTLLQ-KRWDZBQOSA-N 325.408 4.036 70 40 EIIB COc1cc(-c2nnc(N)o2)ccc1OCc1cccc2ccccc12 216853054 POIDKVDPBHDCAO-UHFFFAOYSA-N 347.374 4.060 70 40 EIIB Cc1ccc(OC[C@H](C)NC(=O)[C@H](C)SCc2ccccc2)cc1 218069194 HRYOAAUABDJXQX-IRXDYDNUSA-N 343.492 4.200 70 40 EIIB CN(CCNC(=O)CCc1ccc(C(C)(C)C)cc1)c1ccccc1 218539559 CBTQEIZZKLMSFD-UHFFFAOYSA-N 338.495 4.169 70 40 EIIB COc1ccc(-n2ccc([C@@H]3OCCN3Cc3ccccc3)c2)cc1 216735511 UDJJYWPFYSPDKN-NRFANRHFSA-N 334.419 4.017 70 40 EIIB Cc1ccc(OC[C@@H](C)NC(=O)[C@H](C)Sc2ccccc2)cc1 218058149 ZGSPIDMXOCPPIB-CVEARBPZSA-N 329.465 4.059 70 40 EIIB Cc1ccccc1-n1ccc([C@H]2SCC(=O)N2Cc2ccco2)c1 216675489 BIYZCGKZWGSXQU-LJQANCHMSA-N 338.432 4.153 70 40 EIIB Cc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=O)C(F)(F)F 216938224 UMKZSFDZOHELLR-UHFFFAOYSA-N 347.292 4.269 70 40 EIIB COc1ccc(CSCC(=O)Nc2cccc(SC)c2)cc1 218110759 SVCDBKVJIKDDMM-UHFFFAOYSA-N 333.478 4.289 70 40 EIIB COc1cccc(C(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)c1 217939368 MGZBQYFILBYGFN-KRWDZBQOSA-N 325.408 4.036 70 40 EIIB Cc1ccc(OC[C@@H](C)NC(=O)CCSc2ccc(C)cc2)cc1 218148745 BFDRQQVFVHNRQK-QGZVFWFLSA-N 343.492 4.369 70 40 EIIB Cc1c(NC(=O)C(F)(F)F)cccc1-c1cc2ccccc2oc1=O 216938196 NERMZAOPSRUCCQ-UHFFFAOYSA-N 347.292 4.269 70 40 EIIB COC(=O)c1cc(C)c(OC(=O)c2ccc(C(C)C)cc2)c(C)c1 216726399 GVXJXQGMJFWDRR-UHFFFAOYSA-N 326.392 4.433 70 40 EIIB Clc1ccc(-n2ccc([C@H]3OCCN3Cc3ccco3)c2)cc1 216745977 SVVTXGIFAIZSLC-GOSISDBHSA-N 328.799 4.255 70 40 EIIB O=[N+]([O-])c1ccc(/C=C\c2ccc(S(=O)(=O)F)cc2)c(Cl)c1 100354581 BOKIWLKCVPOYMN-RJRFIUFISA-N 341.747 4.077 70 40 EIIB COc1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)cc1 217844365 AVKQDRYQQRTLLQ-QGZVFWFLSA-N 325.408 4.036 70 40 EIIB COc1ccccc1N1CCO[C@H]1c1ccn(-c2cccc(F)c2)c1 216722807 NIPYBRXLGNWVOY-FQEVSTJZSA-N 338.382 4.160 70 40 EIIB Cc1ccc2c(c1)[C@H](NC(=O)COc1ccccc1C)CC(C)(C)O2 217827366 CNPMLKRNDBOTFS-QGZVFWFLSA-N 339.435 4.101 70 40 EIIB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)/C=C/c1ccccc1 217885124 SCAUBBJHKGNOJQ-ZPHJMFTNSA-N 337.419 4.127 70 40 EIIB O=S(=O)(Cl)c1cc(F)c(Oc2ccc(Cl)cc2)c(F)c1 51971058 NBWITVOFJWJOEF-UHFFFAOYSA-N 339.146 4.338 70 40 EIIB CCOc1ccccc1-n1ccc([C@H]2OCCN2Cc2ccccc2)c1 216736510 GDZHKGYLDHLDOV-JOCHJYFZSA-N 348.446 4.407 70 40 EIIB O=C(c1ccc2noc(-c3ccccc3)c2c1)N1[C@H]2C=CC[C@H]1CC2 218732324 GKQAAFFNNQCKGE-IRXDYDNUSA-N 330.387 4.428 70 40 EIIB CCOc1ccc(-n2ccc([C@@H]3OCCN3Cc3ccco3)c2)cc1 216746956 OUIKBIRYSRQPTJ-FQEVSTJZSA-N 338.407 4.000 70 40 EIIB O=S(=O)(/C=C/c1ccccc1)NCC1(c2ccsc2)CCCC1 217483596 URCVXWFIIZCOSD-UKTHLTGXSA-N 347.505 4.150 70 40 EIIB COc1ccc(CN2CCO[C@@H]2c2ccn(-c3cccc(C)c3)c2)cc1 216742833 FWEIYFPPPTYXMC-JOCHJYFZSA-N 348.446 4.325 70 40 EIIB Cc1ccc(OC[C@H](C)NC(=O)[C@@H](C)Sc2ccc(C)cc2)cc1 218139169 WITZQAPKYNCOED-DLBZAZTESA-N 343.492 4.368 70 40 EIIB CCOc1ccc(CCCNC(=O)CSCc2ccccc2)cc1 218009295 IUVVWGPRJBAWDP-UHFFFAOYSA-N 343.492 4.068 70 40 EIIB CC(C)c1ccc(CCCNC(=O)[C@H](C)Oc2ccc(F)cc2)cc1 218707928 BBGZVWUGKHIFPT-INIZCTEOSA-N 343.442 4.465 70 40 EIIB O=S(=O)(Cl)c1ccc(N=P(Cl)(Cl)Cl)nc1 103599820 YHBOMEWJVKMCJB-UHFFFAOYSA-N 327.944 4.303 70 40 EIIB O=C(c1cc2ccccc2o1)N1CCS[C@@H]1c1cccc(F)c1 217634009 QYVNCQSKSILROF-GOSISDBHSA-N 327.380 4.460 70 40 EIIB Cc1ccc(CSCC(=O)N[C@H](C)COc2ccccc2C)cc1 218022575 KCDFQOXDHJDGAT-QGZVFWFLSA-N 343.492 4.120 70 40 EIIB CC[C@H](NC(=O)[C@@H](C)Oc1ccc(F)cc1)c1ccc(C)c(C)c1 218703292 NHDZVDOWFDELMZ-BEFAXECRSA-N 329.415 4.477 70 40 EIIB O=C(Cn1ccc2ccccc21)N1CCCC[C@@H](c2ccccc2)C1 217287050 WBTUXKVKKVEJKC-HXUWFJFHSA-N 332.447 4.438 70 40 EIIB CCCOc1ccccc1CCCNC(=O)CCc1ccc(C)cc1 218534337 PQKXQCBREGIUCI-UHFFFAOYSA-N 339.479 4.465 70 40 EIIB CC(C)Oc1cccc(CNC(=O)[C@@H](C)Sc2ccccc2)c1 218054917 XVWCYSIOQMPFBR-OAHLLOKOSA-N 329.465 4.271 70 40 EIIB COc1ccc(CCCNC(=O)[C@H](C)SCc2ccccc2)cc1 218066695 YRUKUEJEBFOCBW-INIZCTEOSA-N 343.492 4.066 70 40 EIIB COc1ccccc1C(=O)N[C@H]1CC(C)(C)Oc2cc(C)ccc21 218168852 BKNMSVFXGBXOLV-INIZCTEOSA-N 325.408 4.036 70 40 EIIB Cc1ccc(OCCCC(=O)N[C@@H](C)COc2ccccc2C)cc1 218730912 MTTJBZWAGUDUPB-SFHVURJKSA-N 341.451 4.046 70 40 EIIB Cc1cccc(O[C@H](C)C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)c1 218686038 QCVFFMHVPSVDKE-QAPCUYQASA-N 339.435 4.181 70 40 EIIB CC(C)Sc1ccc(CC(=O)NCC[C@@H](O)c2ccsc2)cc1 217532503 IETXVXSUEWMRBN-QGZVFWFLSA-N 349.521 4.031 70 40 EIIB CC1(C)C[C@@H](NC(=O)CSc2ccccc2)c2ccccc2O1 217971600 JAIPSHCLVGVUOV-MRXNPFEDSA-N 327.449 4.197 70 40 EIIB Cc1ccccc1OC[C@@H](C)NC(=O)/C=C/c1ccc(Cl)cc1 217959358 DELJWZWPSNWVOE-SAAWKEMMSA-N 329.827 4.245 70 40 EIIB Cc1ccccc1OCC(=O)NCCCc1ccc(C(C)C)cc1 217829175 AIYDKSBXRNBUCU-UHFFFAOYSA-N 325.452 4.246 70 40 EIIB COc1ccc2c(c1)[C@@H](NC(=O)c1ccccc1Cl)CC(C)(C)O2 217847377 MBVGAFJXZJITRW-INIZCTEOSA-N 345.826 4.381 70 40 EIIB CCCOc1ccccc1CCCNC(=O)c1cccc(Cl)c1 217852112 RISYDXHXLGMPCB-UHFFFAOYSA-N 331.843 4.491 70 40 EIIB COc1ccc(Nc2nc(-c3ccc(OC)c(N)c3)cs2)cc1 217692115 BPDWBJYERRMNCJ-UHFFFAOYSA-N 327.409 4.153 70 40 EIIB C[C@](O)(CNC(=O)Nc1ccccc1F)c1cc2ccccc2s1 217521674 AKUVDJPPPIPWBM-SFHVURJKSA-N 344.411 4.070 70 40 EIIB CC1(C)[C@@H]2CC[C@]1(C)[C@H](NC(=O)[C@]13CC[C@@](C)(C(=O)C1)C3(C)C)C2 217436234 BMSMPYBXRWNIIJ-BYWYHJCWSA-N 331.500 4.103 70 40 EIIB Cc1ccccc1CSCC(=O)N[C@H](C)COc1ccccc1C 218016031 MIXDYTZITNPTTJ-QGZVFWFLSA-N 343.492 4.120 70 40 EIIB Cc1cc(OCC(=O)Nc2ccc(C)c(C)c2)c2cccc(C)c2n1 217445136 VUVAXSDVGSICPY-UHFFFAOYSA-N 334.419 4.486 70 40 EIIB COc1ccccc1/C=C/C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 217965985 LSVUUGBTBZQWID-GZKZCVOOSA-N 337.419 4.127 70 40 EIIB O=C(Nc1ccc2c(c1)OCO2)/C(=C/c1ccco1)c1ccccc1 218096552 NKKRVGRHTZTFRP-SFQUDFHCSA-N 333.343 4.188 70 40 EIIB COc1ccc(-n2ccc([C@@H]3OCCN3c3ccc(F)cc3)c2)cc1 216732786 LCHHPUJBZLYXCK-FQEVSTJZSA-N 338.382 4.160 70 40 EIIB O=C(NCc1ccc(F)cc1)NCC1(c2ccsc2)CCCC1 217486675 WXXWDOBTJVNWSJ-UHFFFAOYSA-N 332.444 4.198 70 40 EIIB CC1(C)C[C@@H](NC(=O)/C=C/c2ccc(F)cc2)c2ccccc2O1 217911967 MDOUWXSUQKXTIG-XLNAKTSKSA-N 325.383 4.258 70 40 EIIB CC[C@H](NC(=O)[C@@H](C)Oc1ccc(F)cc1)c1ccc(C)cc1C 218703636 KZUAPMDTVKZLNT-BEFAXECRSA-N 329.415 4.477 70 40 EIIB CC(C)Oc1ccc(CCCNC(=S)Nc2ccccc2)cc1 217935705 OMUMQMQVKKDZGG-UHFFFAOYSA-N 328.481 4.393 70 40 EIIB CC[C@H](NC(=O)c1ccccc1SC)c1ccc(OC)c(OC)c1 218194041 ANKZZHQBFZABJV-HNNXBMFYSA-N 345.464 4.307 70 40 EIIB O=C(NC(=S)Nc1ccccc1)[C@@]12CC[C@@H]3C[C@@H](C[C@@H](C3)C1)C2 217482446 CICPWWXJNUEUBB-CSVIQDERSA-N 328.481 4.106 70 40 EIIB COc1cccc(N2CCO[C@H]2c2ccn(-c3ccccc3F)c2)c1 216723895 UFVNDFIAWMABCC-FQEVSTJZSA-N 338.382 4.160 70 40 EIIB CC[C@@H](NC(=S)Nc1ccccc1)c1ccc(OC)c(OC)c1 217937526 VWSUQORJMLRPJU-OAHLLOKOSA-N 330.453 4.142 70 40 EIIB COc1cccc(N2CCO[C@@H]2c2ccn(-c3cccc(C)c3)c2)c1 216723300 AMDYRVYMUJNRKK-OAQYLSRUSA-N 334.419 4.330 70 40 EIIB CC[C@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc(OC)c(OC)c1 218530958 LUFRIHYYUZFOQD-INIZCTEOSA-N 347.842 4.167 70 40 EIIB COc1ccc(CSCC(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1 218116102 GEUSSUZMCKSKKR-MRXNPFEDSA-N 343.492 4.423 70 40 EIIB C[C@H](Oc1ccc(F)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 218699996 HZNSZFKQTCVMRS-SUMWQHHRSA-N 343.398 4.012 70 40 EIIB O=C(NCc1ccccc1)N1CCCC[C@H](c2ccc(F)cc2)C1 217494744 YGVOSPVRYOLHCO-SFHVURJKSA-N 326.415 4.305 70 40 EIIB COc1ccc(CN2CCO[C@H]2c2ccn(-c3ccc(C)cc3)c2)cc1 216742962 GUVTWZZMTCKHCP-QFIPXVFZSA-N 348.446 4.325 70 40 EIIB Cc1ccccc1OC[C@@H](C)NC(=O)/C=C/c1ccccc1Cl 217901007 GGHCALNCRDSGOB-AYJWMTRPSA-N 329.827 4.245 70 40 EIIB C[C@H](Oc1ccc(F)cc1)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 218700149 HZNSZFKQTCVMRS-GUYCJALGSA-N 343.398 4.012 70 40 EIIB COc1ccccc1CCCNC(=O)[C@@H](C)Sc1ccc(C)cc1 218136415 KJRIDLSMOVDJJB-MRXNPFEDSA-N 343.492 4.233 70 40 EIIB CC[C@H](NC(=O)/C=C/c1ccc(C)cc1)c1ccc(OC)c(OC)c1 218181207 DYLDXWSPFWQWNL-HGZMWJMZSA-N 339.435 4.293 70 40 EIIB COc1ccccc1-n1ccc([C@@H]2OCCN2c2cccc(C)c2)c1 216716480 RYOQPEXJCSMHSF-NRFANRHFSA-N 334.419 4.330 70 40 EIIB COc1ccccc1N1CCO[C@H]1c1ccn(-c2cccc(C)c2)c1 216720696 HDJJFCKWOMUBDK-NRFANRHFSA-N 334.419 4.330 70 40 EIIB Cc1ccccc1OC[C@H](C)NC(=O)[C@@H](C)Sc1ccccc1 218057863 NMLQBVWTBLVUCH-JKSUJKDBSA-N 329.465 4.059 70 40 EIIB O=C(/C(=C/c1ccco1)c1ccccc1)N1CCc2ccccc2C1 218094342 JCYIOIGKSXXVIE-RCCKNPSSSA-N 329.399 4.405 70 40 EIIB O=S(=O)(Cl)c1ccc(-c2ccc(Br)cc2)cc1 95698360 SSBVDUAYXSMLTR-UHFFFAOYSA-N 331.618 4.044 70 40 EIIB Cc1cccc(-n2ccc([C@@H]3SCC(=O)N3Cc3ccco3)c2)c1 216675557 FCUOPPWJYKLHDW-IBGZPJMESA-N 338.432 4.153 70 40 EIIB CCOc1ccc(CCCNC(=O)[C@H](C)Sc2ccccc2)cc1 218057575 WTZWBRREFDEBDW-INIZCTEOSA-N 343.492 4.315 70 40 EIIB NC(=O)c1cn(C(=O)c2ccc(-c3ccccc3)cc2)c2ccccc12 216950785 HZXYDZKTDQZKMY-UHFFFAOYSA-N 340.382 4.096 70 40 EIIB O=C(NCc1ccccc1)N1CCCC[C@@H](c2ccc(F)cc2)C1 217494830 YGVOSPVRYOLHCO-GOSISDBHSA-N 326.415 4.305 70 40 EIIB Cc1ccccc1OCC(=O)Nc1ccccc1C(=O)c1ccccc1 217825972 JLSVTMXMKXXHKV-UHFFFAOYSA-N 345.398 4.244 70 40 EIIB O=c1[nH]c2c(s1)[C@@H](c1ccc(F)cc1)[C@@H]1[C@@H]3CC[C@@H](C3)[C@H]1S2 217629653 XCRBMTDUYFRNSW-NGKICAJHSA-N 333.453 4.228 70 40 EIIB C[C@@H](Oc1ccc(F)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 218699911 HZNSZFKQTCVMRS-CXAGYDPISA-N 343.398 4.012 70 40 EIIB Cc1cccc(O[C@H](C)C(=O)NCCCc2ccc(Cl)cc2)c1 218683936 ZXPOPURWWCNCSF-OAHLLOKOSA-N 331.843 4.165 70 40 EIIB O=C(NCC[C@@H](O)c1ccsc1)c1ccc(-c2ccccc2)cc1 217532089 ULKKPUGOMSCEQH-LJQANCHMSA-N 337.444 4.269 70 40 EIIB COc1cccc(CCCNC(=O)/C=C/c2ccccc2Cl)c1 217899676 YKDDVKZATDQURY-VAWYXSNFSA-N 329.827 4.111 70 40 EIIB CC[C@H](NC(=O)/C=C/c1ccc(F)cc1)c1ccc(OC)c(OC)c1 217914306 ZSVOOISWDITHRK-CRVDFBCUSA-N 343.398 4.124 70 40 EIIB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CCc1ccccc1 218172981 MHUWGZZTNDRIIR-GOSISDBHSA-N 339.435 4.046 70 40 EIIB CC[C@@H](NC(=O)c1cc(OC)cc(OC)c1)c1ccc(C)c(C)c1 218176148 XQPHHYMCFOJNRM-LJQANCHMSA-N 327.424 4.202 70 40 EIIB O=C(COc1ccc(Cl)cc1)NCCCc1ccc(Cl)cc1 217829723 YUNFWWGCUURPFD-UHFFFAOYSA-N 338.234 4.121 70 40 EIIB Cc1ccccc1OC[C@H](C)NC(=O)[C@@H](C)SCc1ccccc1 218068811 DYKDKAGXCNFBLN-DLBZAZTESA-N 343.492 4.200 70 40 EIIB CCOc1ccccc1-n1ccc([C@H]2OCCN2c2ccccc2)c1 216712070 YBSDMBOARUESGS-OAQYLSRUSA-N 334.419 4.411 70 40 EIIB COc1ccc([C@H]2SCCN2C(=O)c2ccc(Cl)s2)cc1 217628210 NXNSHDKALAZUGU-OAHLLOKOSA-N 339.869 4.298 70 40 EIIB COc1cccc([C@@H]2SCCN2C(=O)c2cc3ccccc3o2)c1 217637387 UYKZYNZSOTWTOS-IBGZPJMESA-N 339.416 4.329 70 40 EIIB Cc1c(C(N)=O)c2ccccc2n1C(=O)c1ccc(C(C)(C)C)cc1 216950395 SZCYWOFLPRFGNQ-UHFFFAOYSA-N 334.419 4.035 70 40 EIIB CCOc1ccc(CCCNC(=O)CSc2ccc(C)cc2)cc1 217976574 PEEDIKJKUREOFI-UHFFFAOYSA-N 343.492 4.235 70 40 EIIB Fc1ccc(N2CCO[C@H]2c2ccn(-c3ccc(F)cc3)c2)cc1 216732101 OEUMEDILFFPXBH-IBGZPJMESA-N 326.346 4.291 70 40 EIIB COc1cccc(N2CCO[C@H]2c2ccn(-c3ccc(F)cc3)c2)c1 216724014 FQXOWRZQRDJDNV-FQEVSTJZSA-N 338.382 4.160 70 40 EIIB CC(C)Oc1ccc(CCCNC(=O)/C=C/c2ccc(F)cc2)cc1 217911744 YZKBXKJBPKPDJY-NTEUORMPSA-N 341.426 4.375 70 40 EIIB Cc1cccc(CN2CCO[C@@H]2c2ccn(-c3cccc(F)c3)c2)c1 216742246 ZKDXNWSIZZHYPD-OAQYLSRUSA-N 336.410 4.456 70 40 EIIB CN1CCC(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)CC1 216920629 IFEIBPDCJGCPAG-UHFFFAOYSA-N 344.842 4.413 70 40 EIIB Cc1ccccc1OC[C@H](C)NC(=O)/C=C/c1ccccc1Cl 217901087 GGHCALNCRDSGOB-RUMSDORHSA-N 329.827 4.245 70 40 EIIB COc1ccccc1/C=C/C(=O)NCCCc1ccc(Cl)cc1 217964762 RLUQMIGFLGZDAV-JLHYYAGUSA-N 329.827 4.111 70 40 EIIB C[C@@](O)(CNC(=O)c1ccccc1Cl)c1cc2ccccc2s1 217500184 LSEUYPDXMHWVTP-GOSISDBHSA-N 345.851 4.192 70 40 EIIB O=C(CCCOc1ccccc1)NCCCc1ccccc1Cl 218724873 VPKBYJMBKUNPIN-UHFFFAOYSA-N 331.843 4.248 70 40 EIIB Cc1ccc(-c2nnc(-c3cnc(Cc4ccccc4)nc3C)o2)cc1 216664992 ZWMAXUXMOIDYFX-UHFFFAOYSA-N 342.402 4.401 70 40 EIIB CC[C@H](NC(=O)c1ccc(OC)c(OC)c1)c1ccc(C)cc1C 217881039 FLNQWHUYZCGPTB-KRWDZBQOSA-N 327.424 4.202 70 40 EIIB Cc1ccc(OC[C@H](C)NC(=O)[C@@H](C)Sc2ccccc2)cc1 218058095 ZGSPIDMXOCPPIB-JKSUJKDBSA-N 329.465 4.059 70 40 EIIB CCc1ccccc1-n1ccc([C@H]2N(C)C(=O)c3ccccc3N2C)c1 216714415 CLZCZUDZJCXNNG-OAQYLSRUSA-N 345.446 4.260 70 40 EIIB COc1cccc(-n2ccc([C@@H]3OCCN3c3cccc(C)c3)c2)c1 216716012 VSSGTLIFAJMORG-NRFANRHFSA-N 334.419 4.330 70 40 EIIB COc1ccccc1CCCNC(=O)c1ccc(Cl)cc1Cl 217854788 PHOAFDBIAUPZRJ-UHFFFAOYSA-N 338.234 4.365 70 40 EIIB Cc1ccccc1OC[C@H](C)NC(=O)[C@H](C)Sc1ccccc1 218057939 NMLQBVWTBLVUCH-HOTGVXAUSA-N 329.465 4.059 70 40 EIIB COc1cccc(-n2ccc([C@H]3OCCN3Cc3ccc(C)cc3)c2)c1 216737805 MJCLCNJXMPNAEU-JOCHJYFZSA-N 348.446 4.325 70 40 EIIB Cc1cccc(CN2CCO[C@@H]2c2ccn(-c3ccc(F)cc3)c2)c1 216740423 CMEFDGYQRDTGMQ-OAQYLSRUSA-N 336.410 4.456 70 40 EIIB COc1ccc2cc(-c3nnc(-c4ccc(F)cc4)o3)c(C)nc2c1 216665060 RGMLTZCHHSEHGM-UHFFFAOYSA-N 335.338 4.408 70 40 EIIB O=C(COc1ccc(Cl)cc1)NCC1(c2ccsc2)CCCC1 217482495 UTFUYPDAJLTQRU-UHFFFAOYSA-N 349.883 4.409 70 40 EIIB COc1ccc(CN2CCO[C@H]2c2ccn(-c3ccccc3C)c2)cc1 216742766 YWCKOAZGXWQUPE-QFIPXVFZSA-N 348.446 4.325 70 40 EIIB O=C(CCc1cccc(Cl)c1)NC[C@H]1CCCN1c1ccccc1 217824124 XQXJOHGAYMRDEE-LJQANCHMSA-N 342.870 4.058 70 40 EIIB CC[C@@H](NC(=O)c1ccccc1Cl)c1ccc(OC)c(OC)c1 217848110 OFMTZLMKQJGADU-OAHLLOKOSA-N 333.815 4.238 70 40 EIIB CC(C)Oc1cccc(CCCNC(=O)CCc2ccccc2)c1 218171379 UYYZCWGMCGQKEB-UHFFFAOYSA-N 325.452 4.155 70 40 EIIB COc1ccc(/C=C/C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1 217918152 PIOJVEOVYUPQFM-HGZMWJMZSA-N 337.419 4.127 70 40 EIIB Cc1ccc(OC[C@H](C)NC(=O)[C@H](C)Sc2ccc(C)cc2)cc1 218139328 WITZQAPKYNCOED-IRXDYDNUSA-N 343.492 4.368 70 40 EIIB Cc1cc(=S)[nH]c2ccc(S(=O)(=O)Cc3ccccc3)cc12 217439670 FEFUBDLQHWOXGM-UHFFFAOYSA-N 329.446 4.180 70 40 EIIB CC[C@H](NC(=O)c1ccccc1Cl)c1ccc(OC)c(OC)c1 217848181 OFMTZLMKQJGADU-HNNXBMFYSA-N 333.815 4.238 70 40 EIIB CC[C@H](NC(=O)c1cc(OC)cc(OC)c1)c1ccc(C)cc1C 218176382 XUKRGXZCEAXTMA-IBGZPJMESA-N 327.424 4.202 70 40 EIIB Clc1cc(NCc2ccc3c(c2)OCO3)ccc1Br 218006486 NPHRXEOANNVVHM-UHFFFAOYSA-N 340.604 4.443 70 40 EIIB COc1cccc([C@H]2SCCN2C(=O)Nc2ccccc2C)c1 217639708 UYBVYHDAAFQVTM-QGZVFWFLSA-N 328.437 4.283 70 40 EIIB O=C(NCC[C@H](O)c1ccsc1)c1ccc(-c2ccccc2)cc1 217532004 ULKKPUGOMSCEQH-IBGZPJMESA-N 337.444 4.269 70 40 EIIB Cc1ccc(OC[C@@H](C)NC(=O)CSCc2ccccc2C)cc1 218016131 NWVIZJOYYXDICV-QGZVFWFLSA-N 343.492 4.120 70 40 EIIB CC[C@@H](NC(=O)c1ccc(OC)c(OC)c1)c1ccc(C)c(C)c1 217880738 FJXHIDDBFYPNMN-QGZVFWFLSA-N 327.424 4.202 70 40 EIIB CC[C@@H](NC(=O)[C@H](C)Oc1ccc(F)cc1)c1ccc(C)cc1C 218703706 KZUAPMDTVKZLNT-HNAYVOBHSA-N 329.415 4.477 70 40 EIIB COc1cccc(-n2ccc([C@@H]3OCCN3c3ccc(C)cc3)c2)c1 216718741 MCBOVHLJHVCOEJ-NRFANRHFSA-N 334.419 4.330 70 40 EIIB Cc1ccc(OCC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1C 218720967 ZABDROZXUJMERD-GOSISDBHSA-N 339.435 4.101 70 40 EIIB COc1cccc(N2CCO[C@@H]2c2ccn(-c3ccc(F)cc3)c2)c1 216723969 FQXOWRZQRDJDNV-HXUWFJFHSA-N 338.382 4.160 70 40 EIIB Cc1ccc(OC[C@@H](C)NC(=O)/C=C/c2ccccc2Cl)cc1 217901213 HRJSYBSUFKCVIN-SAAWKEMMSA-N 329.827 4.245 70 40 EIIB Cc1ccc(-n2ccc([C@@H]3SCC(=O)N3Cc3ccco3)c2)cc1 216675668 JWDIBKXVLSAWTA-IBGZPJMESA-N 338.432 4.153 70 40 EIIB COc1ccccc1C(=O)N[C@@H]1CC(C)(C)Oc2ccc(C)cc21 218168579 ZZWWYDYCSVZPHM-MRXNPFEDSA-N 325.408 4.036 70 40 EIIB O=C(c1ccoc1)N1CCS[C@@H]1c1ccc(C(F)(F)F)cc1 217631893 MTYJACFNTNDGIG-CQSZACIVSA-N 327.327 4.186 70 40 EIIB CCC[C@@H](C)Oc1ccc2c(c1)c(C(=O)OCC)c(C)n2CCOC 217763383 PDBVUMYLCVFTJH-CQSZACIVSA-N 347.455 4.340 70 40 EIIB CC[C@@H](NC(=O)/C=C/c1ccc(F)cc1)c1ccc(OC)c(OC)c1 217914212 ZSVOOISWDITHRK-SNQZOLJRSA-N 343.398 4.124 70 40 EIIB Cc1ccccc1OC[C@@H](C)NC(=O)[C@@H](C)Sc1ccccc1 218057798 NMLQBVWTBLVUCH-HZPDHXFCSA-N 329.465 4.059 70 40 EIIB Cc1ccccc1OC[C@@H](C)NC(=O)CSc1ccc(Cl)cc1 217981577 UAGWKWKGHMGTLS-CQSZACIVSA-N 349.883 4.324 70 40 EIIB CCOc1ccc(CCCNC(=O)CCSc2ccccc2)cc1 218080902 HLUMPBMNFARRON-UHFFFAOYSA-N 343.492 4.317 70 40 EIIB CN(C)c1cccc(C(=O)NCC2(c3ccsc3)CCCC2)c1 217480997 WOLQOYZOQVLUKT-UHFFFAOYSA-N 328.481 4.056 70 40 EIIB Cc1ccc(SCC(=O)NCCCc2ccc(Cl)cc2)cc1 217975281 PQSKYHPERISOHP-UHFFFAOYSA-N 333.884 4.490 70 40 EIIB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccccc1Cl 217847639 RDHRONRUUDAFNW-MRXNPFEDSA-N 345.826 4.381 70 40 EIIB COc1cccc(N2CCO[C@@H]2c2ccn(-c3ccccc3F)c2)c1 216723847 UFVNDFIAWMABCC-HXUWFJFHSA-N 338.382 4.160 70 40 EIIB CN1CCC[C@@H](C(=O)Nc2ccccc2Sc2ccccc2)C1 216909136 JMEOOUSHGXRTHB-OAHLLOKOSA-N 326.465 4.118 70 40 EIIB O=C(c1ccc(Cl)s1)N1CCS[C@@H]1c1cccc(F)c1 217634199 BMZGNSDLYDRGAU-CQSZACIVSA-N 327.833 4.428 70 40 EIIB CC[C@H](NC(=O)[C@H](C)Oc1ccc(OC)cc1)c1ccc(C)cc1C 218752489 NYUFUGZAAROTKM-JXFKEZNVSA-N 341.451 4.347 70 40 EIIB COc1cccc(-n2ccc([C@@H]3OCCN3Cc3ccc(C)cc3)c2)c1 216737756 MJCLCNJXMPNAEU-QFIPXVFZSA-N 348.446 4.325 70 40 EIIB COc1ccccc1CCCNC(=O)/C=C/c1ccc(Cl)cc1 217958043 VRIJWUVLOQVLKQ-JLHYYAGUSA-N 329.827 4.111 70 40 EIIB CN1CCC[C@@H](C(=O)Nc2ccc(CSc3ccccc3)cc2)C1 216906895 IRYAKJJOLSLVBB-QGZVFWFLSA-N 340.492 4.259 70 40 EIIB Cc1ccc(-n2ccc([C@@H]3N(C)C(=O)c4ccccc4N3C)c2)cc1 216712630 BDRNJBIFWKUURT-FQEVSTJZSA-N 331.419 4.006 70 40 EIIB O=C(NCCc1ccccc1)N1CCCC[C@@H](c2ccc(F)cc2)C1 217494624 OFYYBYJBJDRQDC-LJQANCHMSA-N 340.442 4.348 70 40 EIIB Cc1ccc(OCCNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1 217987482 LZKRKJBGNTUCFJ-CQSZACIVSA-N 349.883 4.324 70 40 EIIB Cc1ccc(OCCCC(=O)NCc2cccc(OC(C)C)c2)cc1 218729084 BFRVBVXWQQFMKN-UHFFFAOYSA-N 341.451 4.258 70 40 EIIB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)/C=C/c1ccccc1 217885052 SCAUBBJHKGNOJQ-PEKVBPLLSA-N 337.419 4.127 70 40 EIIB CCOc1ccc(NC(=O)Nc2ccc3nc(C)c(C)nc3c2)cc1 217302001 CAXIROLIYRJKCI-UHFFFAOYSA-N 336.395 4.289 70 40 EIIB Cc1cccc(O[C@@H](C)C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)c1 218685970 QCVFFMHVPSVDKE-YJBOKZPZSA-N 339.435 4.181 70 40 EIIB CC1(C)C[C@H](NC(=O)COc2ccc(Cl)cc2)c2ccccc2O1 217830809 KFVXJSOJBBCUGP-INIZCTEOSA-N 345.826 4.137 70 40 EIIB COc1ccc(-n2ccc([C@@H]3OCCN3Cc3cccc(C)c3)c2)cc1 216741062 OTIRSLAXEAOTOY-QFIPXVFZSA-N 348.446 4.325 70 40 EIIB Cc1ccc2c(c1)[C@@H](NC(=O)COc1ccccc1C)CC(C)(C)O2 217827301 CNPMLKRNDBOTFS-KRWDZBQOSA-N 339.435 4.101 70 40 EIIB Clc1ccc(-n2ccc([C@@H]3OCCN3Cc3ccco3)c2)cc1 216745934 SVVTXGIFAIZSLC-SFHVURJKSA-N 328.799 4.255 70 40 EIIB COc1cccc([C@@H]2SCCN2C(=O)Nc2ccccc2F)c1 217639997 PJVSMQIHCHPGEI-INIZCTEOSA-N 332.400 4.114 70 40 EIIB Cc1ccc(CN2CCO[C@@H]2c2ccn(-c3ccc(F)cc3)c2)cc1 216737632 PXYNQFQLKOVDDX-OAQYLSRUSA-N 336.410 4.456 70 40 EIIB COc1cccc(N2CCO[C@H]2c2ccn(-c3cccc(F)c3)c2)c1 216725520 HXSSVZVDIJFEJI-FQEVSTJZSA-N 338.382 4.160 70 40 EIIB CCCOc1ccccc1CCCNC(=O)c1ccccc1Cl 217846500 GWGBYGGDWHNBHM-UHFFFAOYSA-N 331.843 4.491 70 40 EIIB COc1ccc(-n2ccc([C@H]3OCCN3Cc3ccc(C)cc3)c2)cc1 216738383 NZOPGBDDMOMASJ-JOCHJYFZSA-N 348.446 4.325 70 40 EIIB CC(C)(F)C(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 160096961 WXMYEPSNBYJWDP-UHFFFAOYSA-N 348.245 4.249 70 40 EIIB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)COc1ccccc1C 217827526 LEUKOJDUERQZDQ-QGZVFWFLSA-N 339.435 4.101 70 40 EIIB Cc1ccc(OC[C@H](C)NC(=O)CSCc2ccccc2C)cc1 218016226 NWVIZJOYYXDICV-KRWDZBQOSA-N 343.492 4.120 70 40 EIIB CN1CCC(C(=O)Nc2ccccc2Sc2ccccc2)CC1 216920660 RFJONTLCGMMNFF-UHFFFAOYSA-N 326.465 4.118 70 40 EIIB COc1ccccc1/C=C/C(=O)NCCCc1ccccc1Cl 217964662 ZTFIKDASFYMBNQ-OUKQBFOZSA-N 329.827 4.111 70 40 EIIB Cc1ccc(-c2nc(S(=O)(=O)Cl)c(-c3ccccc3)o2)cc1 101514060 SZXWWKPNBPOVNK-UHFFFAOYSA-N 333.796 4.245 70 40 EIIB COc1ccccc1/C=C/C(=O)NCCSCc1cccc(C)c1 217963765 KNQQDJSMKNLKPY-ZHACJKMWSA-N 341.476 4.066 70 40 EIIB COc1cccc(-n2ccc([C@@H]3OCCN3Cc3ccccc3)c2)c1 216734904 QEKMOEDCLDUOEN-NRFANRHFSA-N 334.419 4.017 70 40 EIIB Cc1ccc(CSCC(=O)N[C@H](C)COc2ccc(C)cc2)cc1 218022754 PDMMBTGBQHODNC-QGZVFWFLSA-N 343.492 4.120 70 40 EIIB COc1ccccc1CCCNC(=O)[C@H](C)SCc1ccccc1 218066294 QNBFOZDZFMNRIO-INIZCTEOSA-N 343.492 4.066 70 40 EIIB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CCc1ccccc1 218172905 MHUWGZZTNDRIIR-SFHVURJKSA-N 339.435 4.046 70 40 EIIB COc1ccccc1-n1ccc([C@H]2OCCN2Cc2ccc(C)cc2)c1 216738265 XWAPWMXBZWBZSI-JOCHJYFZSA-N 348.446 4.325 70 40 EIIB COc1ccc2c(c1)[C@@H](NC(=O)c1cccc(Cl)c1)CC(C)(C)O2 217853057 AHHZJOUWVZFJPJ-INIZCTEOSA-N 345.826 4.381 70 40 EIIB Cc1ccccc1OC[C@H](C)NC(=O)CSc1ccc(Cl)cc1 217981645 UAGWKWKGHMGTLS-AWEZNQCLSA-N 349.883 4.324 70 40 EIIB CCOc1ccccc1-n1ccc([C@H]2OCCN2Cc2ccco2)c1 216747773 PORWYRMRLXFNGF-HXUWFJFHSA-N 338.407 4.000 70 40 EIIB COc1cccc([C@@H]2SCCN2C(=O)Nc2ccccc2C)c1 217639777 UYBVYHDAAFQVTM-KRWDZBQOSA-N 328.437 4.283 70 40 EIIB Cc1ccc(CCC(=O)NCCCc2cccc(OC(C)C)c2)cc1 218533593 DCTWEHFGXHPYIF-UHFFFAOYSA-N 339.479 4.464 70 40 EIIB COc1ccc2c(c1)[C@@H](NC(=O)/C=C/c1ccccc1)CC(C)(C)O2 217884870 USGVYGZEBJUQHT-PEKVBPLLSA-N 337.419 4.127 70 40 EIIB COc1cccc2cc(C(=O)NCCCc3ccccc3Cl)oc12 218614760 YVSCTNRYLMTXTP-UHFFFAOYSA-N 343.810 4.457 70 40 EIIB CC[C@H](NC(=O)c1ccc(Cl)cc1)c1ccc(OC)c(OC)c1 217851194 XHPIZCQULIPBKP-HNNXBMFYSA-N 333.815 4.238 70 40 EIIB CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(F)cc1)c1ccc(C)c(C)c1 218703195 NHDZVDOWFDELMZ-DNVCBOLYSA-N 329.415 4.477 70 40 EIIB Cc1ccccc1OC[C@H](C)NC(=O)CCSc1ccccc1 218081092 WMRADGZLGMERMU-INIZCTEOSA-N 329.465 4.061 70 40 EIIB Cc1ccc(CSCC(=O)N[C@@H](C)COc2ccc(C)cc2)cc1 218022682 PDMMBTGBQHODNC-KRWDZBQOSA-N 343.492 4.120 70 40 EIIB CC(C)Oc1cccc(CNC(=O)/C=C/c2ccccc2Cl)c1 217898967 VZNSISKESRAOOU-ZHACJKMWSA-N 329.827 4.457 70 40 EIIB CC(C)Oc1cccc(CCCNC(=O)/C=C/c2ccc(F)cc2)c1 217911644 NAAWIKGUBLHYMG-JLHYYAGUSA-N 341.426 4.375 70 40 EIIB Cc1ccc(OCCCC(=O)N[C@H](C)COc2ccccc2C)cc1 218730976 MTTJBZWAGUDUPB-GOSISDBHSA-N 341.451 4.046 70 40 EIIB CCCOc1ccccc1CCCNC(=O)CSc1ccccc1 217971914 MLMMNMKPYWYEFX-UHFFFAOYSA-N 343.492 4.317 70 40 EIIB Cc1ccc(OC[C@@H](C)NC(=O)CCSc2ccccc2)cc1 218081183 DPWXICRYBCWSFJ-MRXNPFEDSA-N 329.465 4.061 70 40 EIIB CCc1ccc(-n2ccc([C@H]3N(C)C(=O)c4ccccc4N3C)c2)cc1 216714069 QTXIXRQFRDWSRA-OAQYLSRUSA-N 345.446 4.260 70 40 EIIB CCOc1cccc(-n2ccc([C@H]3OCCN3Cc3ccccc3)c2)c1 216736628 WHBTUKULODMBRV-JOCHJYFZSA-N 348.446 4.407 70 40 EIIB COc1ccc(-n2ccc([C@@H]3OCCN3Cc3ccc(C)cc3)c2)cc1 216738335 NZOPGBDDMOMASJ-QFIPXVFZSA-N 348.446 4.325 70 40 EIIB CN1CCC(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)CC1 216897759 NSQSDUFPWUTTPQ-UHFFFAOYSA-N 335.662 4.317 70 40 EIIB COc1ccc(C(=O)NCCCc2ccc(C(C)C)cc2)cc1OC 217881868 AFBMYVSZZVJYGG-UHFFFAOYSA-N 341.451 4.190 70 40 EIIB Cc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)SCc2ccccc2)cc1 218068979 HRYOAAUABDJXQX-IAGOWNOFSA-N 343.492 4.200 70 40 EIIB Cc1ccc(OCC(=O)NCCCc2ccccc2Cl)cc1C 218719748 ANJVYZMYOZCTES-UHFFFAOYSA-N 331.843 4.085 70 40 EIIB CCCOc1ccccc1CCCNC(=O)/C=C/c1ccc(F)cc1 217912264 SRQZGKSZVOKWBB-SDNWHVSQSA-N 341.426 4.377 70 40 EIIB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1ccccc1 217937405 VYGKYNMUIRYLGF-MRXNPFEDSA-N 342.464 4.284 70 40 EIIB Cc1ccc(CN2CCO[C@@H]2c2ccn(-c3cccc(F)c3)c2)cc1 216739136 SFEVODREYVOCGB-OAQYLSRUSA-N 336.410 4.456 70 40 EIIB Cc1cc(-c2cc(C)c3nc(N)sc3c2)cc2sc(N)nc12 216851911 CABSUXFOWLXMKL-UHFFFAOYSA-N 326.450 4.354 70 40 EIIB Cc1ccc(CSCC(=O)NCCCc2ccc(F)cc2)cc1 218020879 AARZOJLNEVQDOS-UHFFFAOYSA-N 331.456 4.116 70 40 EIIB CCOc1ccc(CCCNC(=O)[C@@H](C)Sc2ccccc2)cc1 218057506 WTZWBRREFDEBDW-MRXNPFEDSA-N 343.492 4.315 70 40 EIIB COc1cccc([C@H]2SCCN2C(=O)c2cc3ccccc3o2)c1 217637294 UYKZYNZSOTWTOS-LJQANCHMSA-N 339.416 4.329 70 40 EIIB Cc1ccc([C@H]2CCCCN2C(=O)Nc2ccc([S@@](C)=O)cc2)o1 161127755 OZJLLWBILSQPGW-GYCJOSAFSA-N 346.452 4.085 70 40 EIIB COc1ccccc1-n1ccc([C@@H]2OCCN2Cc2cccc(C)c2)c1 216740951 WEPJNUYEYJWVJL-QFIPXVFZSA-N 348.446 4.325 70 40 EIIB CC[C@H](NC(=O)[C@H](C)Oc1ccc(F)cc1)c1ccc(C)cc1C 218703761 KZUAPMDTVKZLNT-KXBFYZLASA-N 329.415 4.477 70 40 EIIB COc1ccccc1C(=O)N[C@H]1CC(C)(C)Oc2ccc(C)cc21 218168669 ZZWWYDYCSVZPHM-INIZCTEOSA-N 325.408 4.036 70 40 EIIB O=C(NCCc1ccccc1)N1CCCC[C@H](c2ccc(F)cc2)C1 217494542 OFYYBYJBJDRQDC-IBGZPJMESA-N 340.442 4.348 70 40 EIIB COc1ccccc1N1CCO[C@@H]1c1ccn(-c2cccc(F)c2)c1 216722762 NIPYBRXLGNWVOY-HXUWFJFHSA-N 338.382 4.160 70 40 EIIB Cc1ccc(OC[C@H](C)NC(=O)[C@H](C)Sc2ccccc2)cc1 218058199 ZGSPIDMXOCPPIB-HOTGVXAUSA-N 329.465 4.059 70 40 EIIB COc1ccc(-n2ccc([C@H]3OCCN3c3ccc(F)cc3)c2)cc1 216732824 LCHHPUJBZLYXCK-HXUWFJFHSA-N 338.382 4.160 70 40 EIIB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)COc1ccccc1C 217827472 LEUKOJDUERQZDQ-KRWDZBQOSA-N 339.435 4.101 70 40 EIIB Cc1ccc(CN2CCO[C@H]2c2ccn(-c3ccccc3F)c2)cc1 216737566 ZKBQPHMKVLMXTQ-NRFANRHFSA-N 336.410 4.456 70 40 EIIB CSC1C[C@@H]2CC[C@H](C1)N2C(=O)C1(c2cccs2)CCCC1 217655976 OMQSQYDPICGSEH-YIONKMFJSA-N 335.538 4.445 70 40 EIIB O=S(=O)(Cl)c1sc(-c2ccccc2)nc1-c1ccccc1 100032823 AWNJOBYLGNWNCQ-UHFFFAOYSA-N 335.837 4.405 70 40 EIIB Cc1cccc(CN2CCO[C@@H]2c2ccn(-c3ccccc3F)c2)c1 216740315 BSMIGXNAQKRIAH-OAQYLSRUSA-N 336.410 4.456 70 40 EIIB COc1ccc2c(c1)[C@@H](NC(=O)CCc1ccccc1)CC(C)(C)O2 218172738 YXNQLIFSHIIOAO-SFHVURJKSA-N 339.435 4.046 70 40 EIIB Cc1cccc(O[C@@H](C)C(=O)NCCCc2ccc(Cl)cc2)c1 218683857 ZXPOPURWWCNCSF-HNNXBMFYSA-N 331.843 4.165 70 40 EIIB COc1ccc(-c2csc(Nc3ccccc3OC)n2)cc1N 217695034 FDJZWBKMACDBLJ-UHFFFAOYSA-N 327.409 4.153 70 40 EIIB O=C(COc1ccc(Cl)cc1)NCCCc1ccccc1Cl 217829616 VBOPDAMSZVIAMK-UHFFFAOYSA-N 338.234 4.121 70 40 EIIB Cc1cc(C)cc(OCC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)c1 218693299 ZJYUILIADMCDMH-SFHVURJKSA-N 339.435 4.101 70 40 EIIB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1cccc(Cl)c1 217853321 VHYGKCACIUZFOC-MRXNPFEDSA-N 345.826 4.381 70 40 EIIB Cc1ccc(-n2ccc([C@H]3N(C)C(=O)c4ccccc4N3C)c2)cc1 216712588 BDRNJBIFWKUURT-HXUWFJFHSA-N 331.419 4.006 70 40 EIIB CCOc1ccc(-n2ccc([C@@H]3OCCN3Cc3ccccc3)c2)cc1 216735636 APYXATVPCJRLFU-QFIPXVFZSA-N 348.446 4.407 70 40 EIIB COc1ccccc1-n1ccc([C@H]2OCCN2c2ccc(F)cc2)c1 216732735 WJNKIPVWOJNIEG-HXUWFJFHSA-N 338.382 4.160 70 40 EIIB Cc1ccc(OCCCC(=O)N[C@@H](C)COc2ccc(C)cc2)cc1 218731065 SGXQVKWMWCUGGI-SFHVURJKSA-N 341.451 4.046 70 40 EIIB CCOc1cccc(-n2ccc([C@@H]3OCCN3Cc3ccco3)c2)c1 216747845 TYRTWQWFSUQKGL-FQEVSTJZSA-N 338.407 4.000 70 40 EIIB Cc1cc(C(=O)N2CCS[C@H]2c2ccc(Cl)c(Cl)c2)no1 217640588 LWQAPPKNTJYEHO-AWEZNQCLSA-N 343.235 4.178 70 40 EIIB Cc1cccc(O[C@@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)c1 218685819 QCVFFMHVPSVDKE-MAUKXSAKSA-N 339.435 4.181 70 40 EIIB COc1ccccc1CCCNC(=O)c1ccc(C(C)(C)C)cc1 217857738 SYFRCSPPHNGICR-UHFFFAOYSA-N 325.452 4.355 70 40 EIIB CCOc1ccc(CNC(=O)/C=C/c2ccc(C)cc2)cc1OCC 218177546 MYZFIXIWGMJFCJ-ACCUITESSA-N 339.435 4.122 70 40 EIIB CCN1C(=O)CS[C@@H]1c1ccn(-c2cccc(C(F)(F)F)c2)c1 216708052 BFPPYBKHXNEBMG-OAHLLOKOSA-N 340.370 4.090 70 40 EIIB O=C(CSc1ccc(Cl)cc1)NCCCc1ccc(F)cc1 217980286 HBZAZIGQLLDRPZ-UHFFFAOYSA-N 337.847 4.320 70 40 EIIB O=C(CCc1ccccc1F)NCC1(c2ccsc2)CCCC1 217583003 LOOVMEVRTSKHTN-UHFFFAOYSA-N 331.456 4.448 70 40 EIIB Clc1ccccc1-n1ccc([C@H]2OCCN2Cc2ccco2)c1 216745754 SPFURDUVDCYZRG-GOSISDBHSA-N 328.799 4.255 70 40 EIIB CC(C)(C)SCCNC(=O)/C(=C/c1ccco1)c1ccccc1 218099209 UEIKFZYTIXXLLT-SAPNQHFASA-N 329.465 4.468 70 40 EIIB CCOc1ccc(CCCNC(=O)c2ccccc2SC)cc1 218191954 LSQNJZPCPORXPG-UHFFFAOYSA-N 329.465 4.170 70 40 EIIB COc1cccc(C(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)c1 217939281 MGZBQYFILBYGFN-QGZVFWFLSA-N 325.408 4.036 70 40 EIIB C[C@](O)(CNC(=O)c1ccccc1Cl)c1cc2ccccc2s1 217500281 LSEUYPDXMHWVTP-SFHVURJKSA-N 345.851 4.192 70 40 EIIB O=S(=O)(Cl)c1ccc(C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)cc1 103016067 INOJWPLEBPMIGR-CPWXYTRJSA-N 345.291 4.443 70 40 EIIB CC(C)Oc1ccc(CCCNC(=O)CCc2ccccc2)cc1 218171491 BPRRUYSODSYNBP-UHFFFAOYSA-N 325.452 4.155 70 40 EIIB CC1(C)C[C@H](NC(=O)Cc2ccc(Cl)cc2)c2ccccc2O1 218528992 ZWAURTVYEAOZLB-INIZCTEOSA-N 329.827 4.301 70 40 EIIB O=C(NCCSC1CCOCC1)c1ccc(-c2cccs2)cc1 217704885 FZHYHJQUXIGGPW-UHFFFAOYSA-N 347.505 4.057 70 40 EIIB COc1ccccc1CCCNC(=O)[C@H](C)Sc1ccc(C)cc1 218136490 KJRIDLSMOVDJJB-INIZCTEOSA-N 343.492 4.233 70 40 EIIB COc1ccc2c(c1)[C@H](NC(=O)c1cccc(Cl)c1)CC(C)(C)O2 217853137 AHHZJOUWVZFJPJ-MRXNPFEDSA-N 345.826 4.381 70 40 EIIB CC[C@@H](NC(=O)/C=C/c1ccc(C)cc1)c1ccc(OC)c(OC)c1 218181139 DYLDXWSPFWQWNL-LVMGUKCRSA-N 339.435 4.293 70 40 EIIB Cc1cccc(O[C@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)c1 218685899 QCVFFMHVPSVDKE-CRAIPNDOSA-N 339.435 4.181 70 40 EIIB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1ccccc1 217937338 VYGKYNMUIRYLGF-INIZCTEOSA-N 342.464 4.284 70 40 EIIB CC(C)Oc1cccc(CNC(=O)[C@@H](C)SCc2ccccc2)c1 218064788 DMEVSXYZURZRQH-MRXNPFEDSA-N 343.492 4.412 70 40 EIIB COc1ccc(C(=O)NCC2(c3ccsc3)CCCC2)cc1F 217582792 BOAUAHVTRSCOIY-UHFFFAOYSA-N 333.428 4.138 70 40 EIIB CC[C@@H](NC(=O)c1ccccc1SC)c1ccc(OC)c(OC)c1 218193948 ANKZZHQBFZABJV-OAHLLOKOSA-N 345.464 4.307 70 40 EIIB CCCOc1ccccc1CCCNC(=O)Cc1ccc(Cl)cc1 218529208 HTXIGFUNAZHCLP-UHFFFAOYSA-N 345.870 4.420 70 40 EIIB Cc1cccc(-n2ccc([C@H]3SCC(=O)N3Cc3ccco3)c2)c1 216675606 FCUOPPWJYKLHDW-LJQANCHMSA-N 338.432 4.153 70 40 EIIB CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(OC)cc1)c1ccc(C)cc1C 218752338 NYUFUGZAAROTKM-OXQOHEQNSA-N 341.451 4.347 70 40 EIIB COc1ccccc1C(=O)Nc1ccccc1C(=O)c1ccccc1 218167929 MBQRKYFESVDTDE-UHFFFAOYSA-N 331.371 4.179 70 40 EIIB CN(CCNC(=O)/C(=C/c1ccco1)c1ccccc1)c1ccccc1 218103287 HQLWADWVMLMELT-HEHNFIMWSA-N 346.430 4.073 70 40 EIIB COc1ccc(CSCC(=O)Nc2ccc(F)c(Cl)c2)cc1 218111304 BRGODZNPVRAYLQ-UHFFFAOYSA-N 339.819 4.360 70 40 EIIB COc1ccc(CCNC(=O)/C(=C/c2ccco2)c2ccccc2)cc1 218096234 BKPIUHQJDORNDV-LTGZKZEYSA-N 347.414 4.188 70 40 EIIB COc1ccccc1N1CCO[C@H]1c1ccn(-c2ccc(F)cc2)c1 216721356 IQMAWUOUZUBOTG-FQEVSTJZSA-N 338.382 4.160 70 40 EIIB O=C(NCC[C@@H](O)c1ccsc1)Nc1cccc(C(F)(F)F)c1 217547332 JVHAGWVWZDVLAN-CYBMUJFWSA-N 344.358 4.012 70 40 EIIB CC(C)Oc1ccc(CCCNC(=O)CSc2ccccc2)cc1 217971492 LZZQLAMOVYORAK-UHFFFAOYSA-N 343.492 4.315 70 40 EIIB COc1ccc2c(c1)[C@H](NC(=O)c1ccc(Cl)cc1)CC(C)(C)O2 217850505 HNVLKGOGFPEPQI-MRXNPFEDSA-N 345.826 4.381 70 40 EIIB CCOc1ccccc1-n1ccc([C@@H]2OCCN2Cc2ccccc2)c1 216736461 GDZHKGYLDHLDOV-QFIPXVFZSA-N 348.446 4.407 70 40 EIIB COc1cccc(CCCNC(=O)CSc2ccc(Cl)cc2)c1 217980496 ABZPOBKUSQAJSC-UHFFFAOYSA-N 349.883 4.190 70 40 EIIB COc1ccccc1-n1ccc([C@H]2OCCN2c2cccc(C)c2)c1 216716525 RYOQPEXJCSMHSF-OAQYLSRUSA-N 334.419 4.330 70 40 EIIB Cc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)Sc2ccccc2)cc1 218058031 ZGSPIDMXOCPPIB-HZPDHXFCSA-N 329.465 4.059 70 40 EIIB Cc1nc(Cc2ccccc2)ncc1-c1nnc(-c2ccc(F)cc2)o1 216664794 UEHVNYYASGMIJQ-UHFFFAOYSA-N 346.365 4.232 70 40 EIIB CC1=C[C@@H](C)[C@@]2(COC(=O)NC(C)C)CO[C@@H](c3ccco3)[C@@H]1[C@H]2C 217388170 ABFSDSQOZYJGJO-MAPXSJPWSA-N 347.455 4.320 70 40 EIIB COc1ccccc1CCCNC(=O)[C@@H](C)SCc1ccccc1 218066224 QNBFOZDZFMNRIO-MRXNPFEDSA-N 343.492 4.066 70 40 EIIB COc1cccc(N2CCO[C@@H]2c2ccn(-c3ccc(C)cc3)c2)c1 216723416 SDVPFQYZTPIOHY-OAQYLSRUSA-N 334.419 4.330 70 40 EIIB O=C(Oc1c(F)c(F)c(F)c(F)c1F)c1cncc2ccccc12 100041696 DEILZUOGNADSGO-UHFFFAOYSA-N 339.219 4.150 70 40 EIIB Cc1cc(C(=O)N2CCS[C@@H]2c2ccc(Cl)c(Cl)c2)no1 217640504 LWQAPPKNTJYEHO-CQSZACIVSA-N 343.235 4.178 70 40 EIIB COc1ccc(CCCNC(=O)[C@@H](C)Sc2ccc(C)cc2)cc1 218136764 OCEIJSUVQDPZSJ-MRXNPFEDSA-N 343.492 4.233 70 40 EIIB Cc1ccc(SCCC(=O)N[C@@H](C)COc2ccccc2C)cc1 218148546 ULENQXRVALJPAZ-KRWDZBQOSA-N 343.492 4.369 70 40 EIIB CC[C@@H](NC(=O)CSc1ccccc1)c1ccc(OC)c(OC)c1 217973826 YXUMIBNLHAWACS-MRXNPFEDSA-N 345.464 4.063 70 40 EIIB Cc1cccc(-n2ccc([C@H]3N(C)C(=O)c4ccccc4N3C)c2)c1 216712478 HUMQJBUHRCOJAA-HXUWFJFHSA-N 331.419 4.006 70 40 EIIB COc1ccc([C@@H]2OC[C@]3(COC(C)=O)[C@H](C)C=C(C)[C@H]2[C@H]3C)cc1 217369809 WSCCZHJZVDZUSC-DSBHMSESSA-N 344.451 4.164 70 40 EIIB biogenic COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(Cl)cc1 217850604 XPNYGHFYIFSUPE-INIZCTEOSA-N 345.826 4.381 70 40 EIIB COc1ccc(/C=C/C(=O)NCCCc2ccc(Cl)cc2)cc1 217917017 ASECYKGMZIHECC-MDWZMJQESA-N 329.827 4.111 70 40 EIIB COc1cccc(-n2ccc([C@H]3OCCN3c3ccc(F)cc3)c2)c1 216732263 YXMVBDJSJFOZJZ-HXUWFJFHSA-N 338.382 4.160 70 40 EIIB CC(C)Oc1cccc(CNC(=O)[C@H](C)SCc2ccccc2)c1 218064873 DMEVSXYZURZRQH-INIZCTEOSA-N 343.492 4.412 70 40 EIIB C[C@@](O)(CNC(=O)Nc1ccccc1F)c1cc2ccccc2s1 217521577 AKUVDJPPPIPWBM-GOSISDBHSA-N 344.411 4.070 70 40 EIIB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1cccc(Cl)c1 217853233 VHYGKCACIUZFOC-INIZCTEOSA-N 345.826 4.381 70 40 EIIB COc1ccc(-n2ccc([C@H]3OCCN3c3ccc(C)cc3)c2)cc1 216719374 NDNNYJOPXPPQMQ-OAQYLSRUSA-N 334.419 4.330 70 40 EIIB Nc1ccc(CCCCc2cccc(S(=O)(=O)F)c2)c(Cl)c1 104135027 YBKNLJZXGVETLX-UHFFFAOYSA-N 341.835 4.146 70 40 EIIB Clc1ccccc1-n1ccc([C@@H]2OCCN2Cc2ccco2)c1 216745709 SPFURDUVDCYZRG-SFHVURJKSA-N 328.799 4.255 70 40 EIIB COc1cccc(N2CCO[C@@H]2c2ccn(-c3cccc(F)c3)c2)c1 216725472 HXSSVZVDIJFEJI-HXUWFJFHSA-N 338.382 4.160 70 40 EIIB CCN1C(=O)CS[C@H]1c1ccn(-c2ccc(C(F)(F)F)cc2)c1 216708867 VLZVINCSJAKVIW-HNNXBMFYSA-N 340.370 4.090 70 40 EIIB Cc1ccccc1CSCC(=O)N[C@@H](C)COc1ccccc1C 218015945 MIXDYTZITNPTTJ-KRWDZBQOSA-N 343.492 4.120 70 40 EIIB CC[C@H](NC(=O)c1cc(OC)cc(OC)c1)c1ccc(C)c(C)c1 218176209 XQPHHYMCFOJNRM-IBGZPJMESA-N 327.424 4.202 70 40 EIIB COc1ccc(-c2nnc(-c3cc4ccc(OC)cc4nc3C)o2)cc1 216665255 CDDPBHLJSDUXOL-UHFFFAOYSA-N 347.374 4.277 70 40 EIIB COc1ccccc1/C=C/C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 217966056 LSVUUGBTBZQWID-UJGDBWEASA-N 337.419 4.127 70 40 EIIB COc1cccc(C(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)c1 217939172 HGRBRIXZUIYMNQ-KRWDZBQOSA-N 325.408 4.036 70 40 EIIB O=C(CSCc1ccccc1)NCCCc1ccc(Cl)cc1 218007917 BLOWYVZSXBWEKZ-UHFFFAOYSA-N 333.884 4.322 70 40 EIIB COc1cccc(-c2nnc(-c3cc4ccc(OC)cc4nc3C)o2)c1 216665386 PFOQQWJTMAHUPX-UHFFFAOYSA-N 347.374 4.277 70 40 EIIB COc1ccccc1CCCNC(=O)CCSc1ccc(C)cc1 218147176 AYONYWWWQSFXEY-UHFFFAOYSA-N 343.492 4.235 70 40 EIIB COc1ccc(CN2CCO[C@H]2c2ccn(-c3cccc(C)c3)c2)cc1 216742873 FWEIYFPPPTYXMC-QFIPXVFZSA-N 348.446 4.325 70 40 EIIB CC1(C)C[C@H](NC(=O)CSc2ccccc2)c2ccccc2O1 217971682 JAIPSHCLVGVUOV-INIZCTEOSA-N 327.449 4.197 70 40 EIIB COc1ccccc1N1CCO[C@H]1c1ccn(-c2ccccc2F)c1 216721246 ZIVKMDRAHMYNDK-FQEVSTJZSA-N 338.382 4.160 70 40 EIIB Cc1ccc(CSCC(=O)N[C@@H](C)COc2ccccc2C)cc1 218022494 KCDFQOXDHJDGAT-KRWDZBQOSA-N 343.492 4.120 70 40 EIIB COc1ccc(CSCC(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1 218116020 GEUSSUZMCKSKKR-INIZCTEOSA-N 343.492 4.423 70 40 EIIB CCCOc1ccccc1CCCNC(=O)CCc1ccccc1 218171697 PCKZIOBMWVVSDZ-UHFFFAOYSA-N 325.452 4.157 70 40 EIIB COc1cccc(CCCNC(=O)[C@H](C)Sc2ccc(C)cc2)c1 218136685 YWQISXMNVPXOLU-INIZCTEOSA-N 343.492 4.233 70 40 EIIB O=C(c1ccoc1)N1CCS[C@H]1c1ccc(C(F)(F)F)cc1 217631971 MTYJACFNTNDGIG-AWEZNQCLSA-N 327.327 4.186 70 40 EIIB CN1CCC[C@H](C(=O)Nc2ccccc2Sc2ccccc2)C1 216909165 JMEOOUSHGXRTHB-HNNXBMFYSA-N 326.465 4.118 70 40 EIIB COc1ccc(CN2CCO[C@@H]2c2ccn(-c3ccccc3)c2)cc1 216742602 ONZLJUFVKLSKQV-OAQYLSRUSA-N 334.419 4.017 70 40 EIIB CCc1ccccc1-n1ccc([C@@H]2N(C)C(=O)c3ccccc3N2C)c1 216714462 CLZCZUDZJCXNNG-NRFANRHFSA-N 345.446 4.260 70 40 EIIB COc1ccccc1N1CCO[C@@H]1c1ccn(-c2ccc(F)cc2)c1 216721304 IQMAWUOUZUBOTG-HXUWFJFHSA-N 338.382 4.160 70 40 EIIB Cc1cccc(CN2CCO[C@H]2c2ccn(-c3ccccc3F)c2)c1 216740362 BSMIGXNAQKRIAH-NRFANRHFSA-N 336.410 4.456 70 40 EIIB Fc1ccc(N2CCO[C@H]2c2ccn(-c3ccccc3F)c2)cc1 216732035 LBTKOJXSWMCFKE-IBGZPJMESA-N 326.346 4.291 70 40 EIIB Cc1ccccc1OC[C@H](C)NC(=O)c1ccc(Cl)cc1Cl 217855129 BWJWQNCQVPQOEJ-LBPRGKRZSA-N 338.234 4.499 70 40 EIIB Cc1cccc(O[C@H](C)C(=O)NCCCc2ccccc2Cl)c1 218683763 QUIQLOIOTRLUSR-OAHLLOKOSA-N 331.843 4.165 70 40 EIIB CCOc1ccc(-n2ccc([C@H]3OCCN3Cc3ccccc3)c2)cc1 216735690 APYXATVPCJRLFU-JOCHJYFZSA-N 348.446 4.407 70 40 EIIB COc1ccc(/C=C/C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1 217918084 PIOJVEOVYUPQFM-LVMGUKCRSA-N 337.419 4.127 70 40 EIIB C[C@@](O)(CNC(=O)Nc1ccccc1Cl)c1cc2ccccc2o1 218004577 FXNZFVRRLOLMOW-GOSISDBHSA-N 344.798 4.115 70 40 EIIB CC1(C)C[C@H](NC(=O)CCCOc2ccccc2)c2ccccc2O1 218725932 FMYUHPZQORXMAJ-SFHVURJKSA-N 339.435 4.264 70 40 EIIB CC1(C)[C@@H]2CC[C@]1(C)[C@H](NC(=O)[C@@]13CC[C@@](C)(C(=O)C1)C3(C)C)C2 217436149 BMSMPYBXRWNIIJ-DAABAHPESA-N 331.500 4.103 70 40 EIIB CC(C)Oc1cccc(CCCNC(=O)Cc2ccc(Cl)cc2)c1 218528812 QZAQEGKCWCSZRN-UHFFFAOYSA-N 345.870 4.419 70 40 EIIB CC[C@H](NC(=O)[C@H](C)Oc1ccc(OC)cc1)c1ccc(C)c(C)c1 218752263 PPQDTNFARJCCKD-JXFKEZNVSA-N 341.451 4.347 70 40 EIIB COc1ccc(OCCCC(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1 218741780 JAARMCKGTQCSDI-KRWDZBQOSA-N 341.451 4.348 70 40 EIIB CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(OC)cc1)c1ccc(C)c(C)c1 218752114 PPQDTNFARJCCKD-OXQOHEQNSA-N 341.451 4.347 70 40 EIIB COc1cc(OC)cc(C(=O)NCCCc2ccc(C(C)C)cc2)c1 218177199 LMCWDRVNVWOWOK-UHFFFAOYSA-N 341.451 4.190 70 40 EIIB Cc1cccc(CN2CCO[C@H]2c2ccn(-c3cccc(F)c3)c2)c1 216742292 ZKDXNWSIZZHYPD-NRFANRHFSA-N 336.410 4.456 70 40 EIIB Cc1ccccc1OC[C@@H](C)NC(=O)c1ccc(C(C)(C)C)cc1 217858153 WIFHPNCOPIJTQK-MRXNPFEDSA-N 325.452 4.490 70 40 EIIB Cc1ccccc1OC[C@H](C)NC(=O)c1ccc(C(C)(C)C)cc1 217858235 WIFHPNCOPIJTQK-INIZCTEOSA-N 325.452 4.490 70 40 EIIB CC(C)Oc1cccc(CNC(=O)/C=C/c2ccc(Cl)cc2)c1 217957441 MOEUWIUCWQIVCG-DHZHZOJOSA-N 329.827 4.457 70 40 EIIB COc1ccc(OCCCC(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1 218741833 JAARMCKGTQCSDI-QGZVFWFLSA-N 341.451 4.348 70 40 EIIB Cc1ccc(OCCCC(=O)NCCCc2ccc(F)cc2)cc1 218729690 SXJZUQHMXKICHD-UHFFFAOYSA-N 329.415 4.042 70 40 EIIB Cc1ccc(CN2CCO[C@H]2c2ccn(-c3ccc(F)cc3)c2)cc1 216737689 PXYNQFQLKOVDDX-NRFANRHFSA-N 336.410 4.456 70 40 EIIB COc1ccccc1N1CCO[C@@H]1c1ccn(-c2ccccc2C)c1 216720541 DIJWFGSABQFLIE-OAQYLSRUSA-N 334.419 4.330 70 40 EIIB Fc1ccc(N2CCO[C@@H]2c2ccn(-c3ccccc3F)c2)cc1 216731982 LBTKOJXSWMCFKE-LJQANCHMSA-N 326.346 4.291 70 40 EIIB Cc1ccc(SCCC(=O)NCCCN(C)c2ccccc2)cc1 218152512 YNWWUCMDLSEMNM-UHFFFAOYSA-N 342.508 4.120 70 40 EIIB Cc1ccc([C@@H]2CCCCN2C(=O)Nc2ccc([S@](C)=O)cc2)o1 161127401 OZJLLWBILSQPGW-UPCLLVRISA-N 346.452 4.085 70 40 EIIB Cc1ccccc1-n1ccc([C@@H]2N(C)C(=O)c3ccccc3N2C)c1 216712414 XOPQKBVSIKRKPG-FQEVSTJZSA-N 331.419 4.006 70 40 EIIB COc1cccc2cc(C(=O)NCCCc3ccc(Cl)cc3)oc12 218614867 HGOJMKPOOQRJAE-UHFFFAOYSA-N 343.810 4.457 70 40 EIIB Cc1ccc(OC[C@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)cc1 217858396 BVAMDAFFUNJAIY-INIZCTEOSA-N 325.452 4.490 70 40 EIIB COC(=O)c1ccc(Cn2ccc(-c3cc4ccccc4o3)n2)cc1 216690084 KXCKCRGEMZBBGH-UHFFFAOYSA-N 332.359 4.131 70 40 EIIB CCCCN(CCCC)C(=O)Nc1ccc(S(=O)(=O)Cl)cc1 95698216 JCPRHFBMTAGWDR-UHFFFAOYSA-N 346.880 4.048 70 40 EIIB C[C@@H](SCc1ccccc1)C(=O)NCCCc1ccc(F)cc1 218066033 APNINIVXZNWIPG-OAHLLOKOSA-N 331.456 4.196 70 40 EIIB CC(C)c1ccc(CCCNC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1 218707840 BBGZVWUGKHIFPT-MRXNPFEDSA-N 343.442 4.465 70 40 EIIB CC(C)Oc1ccc(Oc2ccc(S(=O)(=O)Cl)cc2)cc1 100262783 DATFZHXDRNHFDE-UHFFFAOYSA-N 326.801 4.194 70 40 EIIB COc1ccccc1-n1ccc([C@@H]2OCCN2c2ccc(C)cc2)c1 216719212 AAVLQOBHLHVBSO-NRFANRHFSA-N 334.419 4.330 70 40 EIIB CC[C@H](NC(=O)CCc1ccc(C)cc1)c1ccc(OC)c(OC)c1 218536439 OYSQBYGQQJIJFL-SFHVURJKSA-N 341.451 4.212 70 40 EIIB Cc1ccc(OC[C@H](C)NC(=O)[C@@H](C)SCc2ccccc2)cc1 218069048 HRYOAAUABDJXQX-DLBZAZTESA-N 343.492 4.200 70 40 EIIB COc1ccccc1N1CCO[C@@H]1c1ccn(-c2ccccc2F)c1 216721201 ZIVKMDRAHMYNDK-HXUWFJFHSA-N 338.382 4.160 70 40 EIIB O=C(c1ccoc1)N1CCS[C@@H]1c1ccc(Cl)c(Cl)c1 217641848 QFKNAZJYDAWWCQ-CQSZACIVSA-N 328.220 4.474 70 40 EIIB COc1ccc2c(c1)[C@@H](NC(=S)Nc1ccccc1)CC(C)(C)O2 217937142 USXRFWSIEPGETR-INIZCTEOSA-N 342.464 4.284 70 40 EIIB COc1cccc(CCCNC(=O)CCSc2ccc(C)cc2)c1 218147257 JGAGSBZYVAFAOY-UHFFFAOYSA-N 343.492 4.235 70 40 EIIB CC1(C)C[C@@H](NC(=O)Cc2ccc(Cl)cc2)c2ccccc2O1 218528923 ZWAURTVYEAOZLB-MRXNPFEDSA-N 329.827 4.301 70 40 EIIB CCN(C(=O)COc1cc(C)nc2c(C)cccc12)c1ccccc1 217444816 BEDOSQKVBVDGCA-UHFFFAOYSA-N 334.419 4.284 70 40 EIIB COc1cccc([C@H]2SCCN2C(=O)Nc2ccccc2F)c1 217639917 PJVSMQIHCHPGEI-MRXNPFEDSA-N 332.400 4.114 70 40 EIIB CC1(C)C[C@H](NC(=O)/C=C/c2ccc(F)cc2)c2ccccc2O1 217912043 MDOUWXSUQKXTIG-KQPPXVQYSA-N 325.383 4.258 70 40 EIIB CC[C@H](NC(=O)[C@@H](C)Oc1ccc(OC)cc1)c1ccc(C)cc1C 218752387 NYUFUGZAAROTKM-UZLBHIALSA-N 341.451 4.347 70 40 EIIB CCN1C(=O)CS[C@@H]1c1ccn(-c2ccccc2C(F)(F)F)c1 216708704 LKYUBAADPIRMGJ-OAHLLOKOSA-N 340.370 4.090 70 40 EIIB Cc1ccc([C@H]2CCCCN2C(=O)Nc2ccc([S@](C)=O)cc2)o1 161127540 OZJLLWBILSQPGW-VOIUYBSRSA-N 346.452 4.085 70 40 EIIB CC[C@H](NC(=O)c1ccc(OC)c(OC)c1)c1ccc(C)c(C)c1 217880856 FJXHIDDBFYPNMN-KRWDZBQOSA-N 327.424 4.202 70 40 EIIB CC[C@@H](NC(=O)c1cc(OC)cc(OC)c1)c1ccc(C)cc1C 218176303 XUKRGXZCEAXTMA-LJQANCHMSA-N 327.424 4.202 70 40 EIIB COc1ccc(CCCNC(=O)/C=C/c2ccc(Cl)cc2)cc1 217958234 WVJAAEGJAUMIKI-MDWZMJQESA-N 329.827 4.111 70 40 EIIB COc1ccc(CCCNC(=O)CCSc2ccc(C)cc2)cc1 218147376 WXLUVCSSOYQVQS-UHFFFAOYSA-N 343.492 4.235 70 40 EIIB Cc1ccc(S(=O)(=O)C(N=C=NC(C)(C)C)=C(Cl)Cl)cc1 32617737 AATDQKORZNGKKJ-UHFFFAOYSA-N 347.267 4.345 70 40 EIIB O=S(=O)(Cl)c1nc(-c2ccccc2)sc1-c1ccccc1 100103139 QWGYJCTWFRJEGU-UHFFFAOYSA-N 335.837 4.405 70 40 EIIB C[C@H](SCc1ccccc1)C(=O)NCCCc1ccc(F)cc1 218066119 APNINIVXZNWIPG-HNNXBMFYSA-N 331.456 4.196 70 40 EIIB Cc1ccc(S[C@H](C)C(=O)N[C@H](C)COc2ccccc2C)cc1 218138970 MADUPPZVAYINCF-IAGOWNOFSA-N 343.492 4.368 70 40 EIIB COc1ccc(CN2CCO[C@H]2c2ccn(-c3ccccc3)c2)cc1 216742648 ONZLJUFVKLSKQV-NRFANRHFSA-N 334.419 4.017 70 40 EIIB CCOC(=O)c1c(C)n(CCOC)c2ccc(OC3CCCC3)cc12 217768491 NMHXGOWEJLLUEH-UHFFFAOYSA-N 345.439 4.094 70 40 EIIB CC(C)Sc1ccc(CC(=O)Nc2ccn3nccc3c2)cc1 217956639 NOKOCJWJFYEQFM-UHFFFAOYSA-N 325.437 4.016 70 40 EIIB COc1ccccc1-n1ccc([C@@H]2OCCN2Cc2ccccc2)c1 216735394 HHILVKCNICACAJ-NRFANRHFSA-N 334.419 4.017 70 40 EIIB Cc1ccc(OC[C@H](C)NC(=O)CSc2ccc(Cl)cc2)cc1 217981823 JVBNAMPBSKKOIN-AWEZNQCLSA-N 349.883 4.324 70 40 EIIB CC1(C)C[C@@H](NC(=O)CSCc2ccccc2)c2ccccc2O1 218009112 OZCQSYUUPMVXQA-QGZVFWFLSA-N 341.476 4.338 70 40 EIIB Cc1ccc(-n2ccc([C@H]3SCC(=O)N3Cc3ccco3)c2)cc1 216675711 JWDIBKXVLSAWTA-LJQANCHMSA-N 338.432 4.153 70 40 EIIB COc1ccc(CNC(=O)/C(=C/c2ccco2)c2ccccc2)cc1 218096125 XNDSPAUAJIGHPV-XSFVSMFZSA-N 333.387 4.145 70 40 EIIB Cc1ccc(-c2cc3ccccc3oc2=O)c(NC(=O)C(F)(F)F)c1 216937684 OCCGJVGKNGTMCE-UHFFFAOYSA-N 347.292 4.269 70 40 EIIB O=C(Nc1ccc2c(c1)OCCO2)/C(=C/c1ccco1)c1ccccc1 218100206 FSPNNFWXRWIGHQ-NBVRZTHBSA-N 347.370 4.230 70 40 EIIB Cc1cccc(-n2ccc([C@@H]3N(C)C(=O)c4ccccc4N3C)c2)c1 216712525 HUMQJBUHRCOJAA-FQEVSTJZSA-N 331.419 4.006 70 40 EIIB CCOc1ccc(-n2ccc([C@H]3OCCN3Cc3ccco3)c2)cc1 216746998 OUIKBIRYSRQPTJ-HXUWFJFHSA-N 338.407 4.000 70 40 EIIB Cc1ccccc1OCC(=O)NCC1(c2ccsc2)CCCC1 217481544 ASYNNTJRSFSKSK-UHFFFAOYSA-N 329.465 4.064 70 40 EIIB CC[C@@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc(OC)c(OC)c1 218530887 LUFRIHYYUZFOQD-MRXNPFEDSA-N 347.842 4.167 70 40 EIIB O=C(c1cc2ccccc2o1)N1CCS[C@H]1c1cccc(F)c1 217634089 QYVNCQSKSILROF-SFHVURJKSA-N 327.380 4.460 70 40 EIIB CC(C)Oc1cccc(CCCNC(=S)Nc2ccccc2)c1 217935598 HFUMTAIWRQNSHC-UHFFFAOYSA-N 328.481 4.393 70 40 EIIB COc1cccc(-n2ccc([C@H]3OCCN3Cc3cccc(C)c3)c2)c1 216740564 VZICWDPOHGMBJQ-JOCHJYFZSA-N 348.446 4.325 70 40 EIIB Cc1ccc(SCC(=O)NCCCc2ccccc2Cl)cc1 217975192 PLPWSYOGQDWAMS-UHFFFAOYSA-N 333.884 4.490 70 40 EIIB COc1cccc(N2CCO[C@H]2c2ccn(-c3ccccc3C)c2)c1 216723253 BZOPYGVPKIHPDN-NRFANRHFSA-N 334.419 4.330 70 40 EIIB COc1ccccc1-n1ccc([C@@H]2OCCN2Cc2ccc(C)cc2)c1 216738222 XWAPWMXBZWBZSI-QFIPXVFZSA-N 348.446 4.325 70 40 EIIB O=C(c1ccoc1)N1CCS[C@H]1c1ccc(OC(F)(F)F)cc1 217643926 ZZUAITZCBXWMIP-AWEZNQCLSA-N 343.326 4.066 70 40 EIIB COc1ccccc1-n1ccc([C@H]2OCCN2Cc2ccccc2)c1 216735438 HHILVKCNICACAJ-OAQYLSRUSA-N 334.419 4.017 70 40 EIIB Cc1ccc(CCC(=O)NCCCc2ccc(OC(C)C)cc2)cc1 218533713 LGQAMNVOVVGCFS-UHFFFAOYSA-N 339.479 4.464 70 40 EIIB CCOc1ccc(CNC(=O)CCc2ccc(C)cc2)cc1OCC 218532506 JCHDFFSCRDULMJ-UHFFFAOYSA-N 341.451 4.041 70 40 EIIB Cc1ccc(OC[C@H](C)NC(=O)CCSc2ccc(C)cc2)cc1 218148815 BFDRQQVFVHNRQK-KRWDZBQOSA-N 343.492 4.369 70 40 EIIB Cc1ccc(CN2CCO[C@@H]2c2ccn(-c3ccccc3F)c2)cc1 216737513 ZKBQPHMKVLMXTQ-OAQYLSRUSA-N 336.410 4.456 70 40 EIIB O=C(c1ccc2nsnc2c1)N1CCCC[C@@H](c2ccccc2)C1 217287973 LOZZNNVDEOJCOM-MRXNPFEDSA-N 337.448 4.101 70 40 EIIB COc1ccc(-n2ccc([C@H]3OCCN3Cc3cccc(C)c3)c2)cc1 216741105 OTIRSLAXEAOTOY-JOCHJYFZSA-N 348.446 4.325 70 40 EIIB Cc1ccc(S[C@H](C)C(=O)N[C@@H](C)COc2ccccc2C)cc1 218138824 MADUPPZVAYINCF-DLBZAZTESA-N 343.492 4.368 70 40 EIIB COc1cccc(N2CCO[C@H]2c2ccn(-c3cccc(C)c3)c2)c1 216723346 AMDYRVYMUJNRKK-NRFANRHFSA-N 334.419 4.330 70 40 EIIB CCCOc1ccccc1CCCNC(=O)c1ccc(Cl)cc1 217849381 DDZARYXKHITSHC-UHFFFAOYSA-N 331.843 4.491 70 40 EIIB CCOc1ccc(-n2ccc([C@H]3OCCN3c3ccccc3)c2)cc1 216711256 BBYDYTZYYCRFIY-OAQYLSRUSA-N 334.419 4.411 70 40 EIIB O=c1[nH]c2c(s1)[C@@H](c1ccc(F)cc1)[C@H]1[C@@H]3CC[C@@H](C3)[C@H]1S2 217629738 XCRBMTDUYFRNSW-JPKGWIMLSA-N 333.453 4.228 70 40 EIIB COc1ccccc1CCCNC(=O)/C=C/c1ccccc1Cl 217899543 APOOMNUUYWKTQJ-OUKQBFOZSA-N 329.827 4.111 70 40 EIIB Fc1ccc(N2CCO[C@H]2c2ccn(-c3cccc(F)c3)c2)cc1 216733584 DHDHOVYNFPBMPO-IBGZPJMESA-N 326.346 4.291 70 40 EIIB O=C(CCCOc1ccc(Cl)cc1)NCCCc1ccc(F)cc1 218735316 RROOBDCDYIAFAW-UHFFFAOYSA-N 349.833 4.387 70 40 EIIB O=C(NCCc1ccccc1)NCC1(c2ccsc2)CCCC1 217486551 VFFGDKHIWCCJNE-UHFFFAOYSA-N 328.481 4.102 70 40 EIIB CCOc1ccc(CCCNC(=O)Cc2ccc(Cl)cc2)cc1 218529096 LMFJJFRMVUKXDK-UHFFFAOYSA-N 331.843 4.030 70 40 EIIB COc1cc(CNC(=O)CCc2ccc(C)cc2)ccc1OC(C)C 218532629 ZLQHIGAHBMMOIR-UHFFFAOYSA-N 341.451 4.040 70 40 EIIB COc1ccc2c(c1)[C@H](NC(=O)/C=C/c1ccccc1)CC(C)(C)O2 217884953 USGVYGZEBJUQHT-ZPHJMFTNSA-N 337.419 4.127 70 40 EIIB Clc1cccc(-n2ccc([C@H]3OCCN3Cc3ccco3)c2)c1 216745866 CUVBZAFFDBDQSD-GOSISDBHSA-N 328.799 4.255 70 40 EIIB COc1cccc(N2CCO[C@@H]2c2ccn(-c3ccccc3C)c2)c1 216723207 BZOPYGVPKIHPDN-OAQYLSRUSA-N 334.419 4.330 70 40 EIIB CC(C)Sc1ccc(CC(=O)NCC[C@H](O)c2ccsc2)cc1 217532422 IETXVXSUEWMRBN-KRWDZBQOSA-N 349.521 4.031 70 40 EIIB CC1(C)C[C@@H](NC(=O)CCCOc2ccccc2)c2ccccc2O1 218725854 FMYUHPZQORXMAJ-GOSISDBHSA-N 339.435 4.264 70 40 EIIB COc1ccccc1N1CCO[C@H]1c1ccn(-c2ccc(C)cc2)c1 216720813 ILTXHDFVBGDMTD-NRFANRHFSA-N 334.419 4.330 70 40 EIIB Clc1cccc(-n2ccc([C@@H]3OCCN3Cc3ccco3)c2)c1 216745818 CUVBZAFFDBDQSD-SFHVURJKSA-N 328.799 4.255 70 40 EIIB Cc1ccc(OC[C@@H](C)NC(=O)[C@H](C)SCc2ccccc2)cc1 218069123 HRYOAAUABDJXQX-SJORKVTESA-N 343.492 4.200 70 40 EIIB Cc1ccc(OCCCC(=O)N[C@H](C)COc2ccc(C)cc2)cc1 218731134 SGXQVKWMWCUGGI-GOSISDBHSA-N 341.451 4.046 70 40 EIIB Cc1ccccc1-n1ccc([C@H]2N(C)C(=O)c3ccccc3N2C)c1 216712373 XOPQKBVSIKRKPG-HXUWFJFHSA-N 331.419 4.006 70 40 EIIB CCCOc1ccccc1CCCNC(=S)Nc1ccccc1 217936098 KPTWJNLSGRIIAQ-UHFFFAOYSA-N 328.481 4.395 70 40 EIIB C[C@@H](Oc1ccc(F)cc1)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 218700077 HZNSZFKQTCVMRS-DYVFJYSZSA-N 343.398 4.012 70 40 EIIB O=C(CSCc1ccccc1)NCCCc1ccccc1Cl 218007837 UJRPHVUIUOTLGV-UHFFFAOYSA-N 333.884 4.322 70 40 EIIB COc1cccc(N2CCO[C@H]2c2ccn(-c3ccc(C)cc3)c2)c1 216723455 SDVPFQYZTPIOHY-NRFANRHFSA-N 334.419 4.330 70 40 EIIB CC[C@H](NC(=O)[C@H](C)Oc1ccc(F)cc1)c1ccc(C)c(C)c1 218703456 NHDZVDOWFDELMZ-KXBFYZLASA-N 329.415 4.477 70 40 EIIB O=S(=O)(Cl)c1cccc(Oc2ccc(Br)cc2)c1 103603539 MXZQOZOOTKSTOK-UHFFFAOYSA-N 347.617 4.169 70 40 EIIB CC1=C[C@H](C)[C@@]2(COC(=O)NC(C)C)CO[C@@H](c3ccco3)[C@@H]1[C@H]2C 217388095 ABFSDSQOZYJGJO-XNXQJFLXSA-N 347.455 4.320 70 40 EIIB Cc1ccccc1-n1ccc([C@@H]2SCC(=O)N2Cc2ccco2)c1 216675443 BIYZCGKZWGSXQU-IBGZPJMESA-N 338.432 4.153 70 40 EIIB Cc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)Sc2ccc(C)cc2)cc1 218139094 WITZQAPKYNCOED-IAGOWNOFSA-N 343.492 4.368 70 40 EIIB O=C(NCCSC1CCCCC1)c1ccccc1Br 218220337 FEEXSWTYSDODOM-UHFFFAOYSA-N 342.302 4.245 70 40 EIIB COc1ccc(CN2CCO[C@@H]2c2ccn(-c3ccccc3C)c2)cc1 216742715 YWCKOAZGXWQUPE-JOCHJYFZSA-N 348.446 4.325 70 40 EIIB O=C(c1ccoc1)N1CCS[C@@H]1c1ccc(OC(F)(F)F)cc1 217643840 ZZUAITZCBXWMIP-CQSZACIVSA-N 343.326 4.066 70 40 EIIB CN(CCNC(=O)c1cc2c(ccc3ccccc32)o1)c1ccccc1 218497561 GLEQFJBUJDTLGR-UHFFFAOYSA-N 344.414 4.452 70 40 EIIB CN(CCNC(=O)/C=C/c1ccc(C(C)(C)C)cc1)c1ccccc1 217951750 ILKWCNCZUNQDMD-NTCAYCPXSA-N 336.479 4.250 70 40 EIIB COc1ccc2c(c1)[C@@H](NC(=O)c1ccc(Cl)cc1)CC(C)(C)O2 217850426 HNVLKGOGFPEPQI-INIZCTEOSA-N 345.826 4.381 70 40 EIIB Cc1ccc(OCCNC(=O)/C(=C/c2ccco2)c2ccccc2)cc1 218102862 XYHRVAXLGDEENT-LTGZKZEYSA-N 347.414 4.324 70 40 EIIB Cc1ccccc1OC[C@H](C)NC(=O)/C=C/c1ccc(Cl)cc1 217959429 DELJWZWPSNWVOE-RZXPCSSPSA-N 329.827 4.245 70 40 EIIB CCOc1ccccc1-n1ccc([C@@H]2OCCN2Cc2ccco2)c1 216747725 PORWYRMRLXFNGF-FQEVSTJZSA-N 338.407 4.000 70 40 EIIB COc1ccc(-c2nnc(N)o2)cc1OCc1cccc2ccccc12 216850345 BFGFHABOFXJNMR-UHFFFAOYSA-N 347.374 4.060 70 40 EIIB CN(CCNC(=O)CCSc1ccc(Cl)cc1)c1ccccc1 218087510 XLKSMGYACZAEQU-UHFFFAOYSA-N 348.899 4.075 70 40 EIIB COc1ccc2cc(-c3nnc(-c4ccccc4F)o3)c(C)nc2c1 216665455 GPNXSWKUWVORLG-UHFFFAOYSA-N 335.338 4.408 70 40 EIIB CC[C@H](NC(=O)[C@@H](C)Oc1ccc(OC)cc1)c1ccc(C)c(C)c1 218752163 PPQDTNFARJCCKD-UZLBHIALSA-N 341.451 4.347 70 40 EIIB CC[C@@H](NC(=O)[C@H](C)Oc1ccc(F)cc1)c1ccc(C)c(C)c1 218703362 NHDZVDOWFDELMZ-HNAYVOBHSA-N 329.415 4.477 70 40 EIIB CCOc1cccc(-n2ccc([C@@H]3OCCN3Cc3ccccc3)c2)c1 216736579 WHBTUKULODMBRV-QFIPXVFZSA-N 348.446 4.407 70 40 EIIB Cc1nc(-c2ccccc2NC(=O)c2cnc3ccccc3n2)cs1 218593345 ZEJGDDQPLZYNOC-UHFFFAOYSA-N 346.415 4.314 70 40 EIIB COc1ccc2c(c1)[C@H](NC(=O)c1ccccc1Cl)CC(C)(C)O2 217847430 MBVGAFJXZJITRW-MRXNPFEDSA-N 345.826 4.381 70 40 EIIB CCOc1ccc(CNC(=O)c2ccccc2Cl)cc1OCC 217846211 CUBLCTRNHCTBJZ-UHFFFAOYSA-N 333.815 4.067 70 40 EIIB COc1cccc(CCCNC(=O)[C@@H](C)Sc2ccc(C)cc2)c1 218136611 YWQISXMNVPXOLU-MRXNPFEDSA-N 343.492 4.233 70 40 EIIB Cc1ccc(OC[C@@H](C)NC(=O)[C@H](C)Sc2ccc(C)cc2)cc1 218139253 WITZQAPKYNCOED-SJORKVTESA-N 343.492 4.368 70 40 EIIB O=C(CCc1cccc(Cl)c1)NC[C@@H]1CCCN1c1ccccc1 217824202 XQXJOHGAYMRDEE-IBGZPJMESA-N 342.870 4.058 70 40 EIIB COc1cc(CNC(=O)/C=C/c2ccc(C)cc2)ccc1OC(C)C 218177663 GXHRFOBGVKAWGU-ZRDIBKRKSA-N 339.435 4.120 70 40 EIIB O=C(CCCOc1ccccc1)NCCCc1ccc(Cl)cc1 218724965 SVAYBIFUNSDIRF-UHFFFAOYSA-N 331.843 4.248 70 40 EIIB COc1ccc(-n2ccc([C@@H]3OCCN3c3cccc(C)c3)c2)cc1 216716591 LAOSPJXAHRVSLN-NRFANRHFSA-N 334.419 4.330 70 40 EIIB O=[N+]([O-])c1ccc(/C=C/c2ccc(S(=O)(=O)F)cc2)c(Cl)c1 100354584 BOKIWLKCVPOYMN-DAFODLJHSA-N 341.747 4.077 70 40 EIIB CN1CCC[C@@H](C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)C1 216909067 UMQRYCWZBFBHBG-CQSZACIVSA-N 344.842 4.413 70 40 EIIB COc1ccccc1-n1ccc([C@H]2OCCN2c2ccc(C)cc2)c1 216719260 AAVLQOBHLHVBSO-OAQYLSRUSA-N 334.419 4.330 70 40 EIIB