smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1ccc(S(=O)(=O)N2CCN(/C=C(/C#N)C(=O)N3CCN(c4ccc(F)cc4)CC3)CC2)cc1 217237702 BQLVQKNRDOONNA-VZCXRCSSSA-N 497.596 2.197 50 10 JEGE C[C@H](C(=O)NN)c1ccc(Cn2cnc(I)c2I)cc1 380127895 SESKFCXLGQRJPQ-QMMMGPOBSA-N 496.090 2.234 50 10 JEGE O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)c1c[nH]c2cc(Cl)ccc12 726982846 BGMGRTAPXBUXNZ-UHFFFAOYSA-N 490.969 2.236 50 10 JEGE CC(=O)NNC(=O)[C@@H](C)Sc1n[nH]c(NN=Cc2ccc(COc3ccc(F)cc3)o2)n1 1084288051 LOLIRHVRTXKXRD-LLVKDONJSA-N 461.479 2.210 50 10 JEGE O=C(NNC(=O)c1c(F)ccc(S(=O)(=O)NC2CC2)c1F)c1ccc(Br)cc1 1318290100 UQTQQQZRHQYLPS-UHFFFAOYSA-N 474.283 2.243 50 10 JEGE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNc3nc4cccnc4s3)CC2)cc1 1630164432 NFRUWNHQZBGHMU-UHFFFAOYSA-N 459.553 2.438 50 10 JEGE O=S(=O)(C[C@@H](Br)c1csc(I)c1)N1CCOCC1 2028949694 WCAWPFTUQKEXIM-SECBINFHSA-N 466.160 2.451 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2CC[C@H](C1)C2Br 2048824509 YNNDKRDBNVWTSH-YFECMGCGSA-N 473.364 2.446 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@H](OCCBr)C1 2113856354 MGJKLDMSGCQZMJ-IFXJQAMLSA-N 491.379 2.217 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@H]1COC[C@@H]1Br 2316825003 AXLAIKWIDGPRMB-YOEHRIQHSA-N 473.389 2.172 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2C[C@@]1(CBr)CO2 2338852660 QOGUSRCQRAEDCS-FOIQADDNSA-N 485.400 2.411 50 10 JEGE CCOC(=O)CN1C(=O)/C(=N/NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)c2ccccc21 59181317 LZMKXMDETQTLQK-TURZUDJPSA-N 473.411 2.485 50 10 JEGE CC(C)C(=O)NNC(=O)[C@H](C)Sc1n[nH]c(NN=Cc2ccc(Br)cc2)n1 1084568162 MBNCTWYFWSZYMU-JTQLQIEISA-N 454.354 2.297 50 10 JEGE C[C@@H](C(=O)NNS(=O)(=O)c1ccc(F)cc1)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860770747 VRYCHESDKHCVHJ-NEPJUHHUSA-N 464.544 2.293 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@@H]1C[C@@H](CBr)CO1 2039820028 XWXDRNZABQHKMF-GJZGRUSLSA-N 473.389 2.172 50 10 JEGE CC(C)(C)OC(=O)N1CC2(C1)CS(=O)(=O)CCN2C(=O)[C@@H](Br)C1CCCC1 2183497630 OMHBQBFABHITHI-AWEZNQCLSA-N 465.410 2.187 50 10 JEGE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCSSCCNC(=O)OC(C)(C)C 2267489341 LECPMAQNWHDVPQ-UHFFFAOYSA-N 486.469 2.355 50 10 JEGE COc1cccc(C=CC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 2325893252 WRTYQABBGSPDNU-CQSZACIVSA-N 452.536 2.452 50 10 JEGE COc1cc(C=NNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc([N+](=O)[O-])c1O 2325903513 ISEKCKHJCFKBKT-UHFFFAOYSA-N 457.468 2.110 50 10 JEGE NNC(=O)[C@H]1CCC[C@H](COc2cc(Br)cc(I)c2)O1 2364066737 PALKWDZQLARMID-ZYHUDNBSSA-N 455.090 2.360 50 10 JEGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)COc2ccccc2)c(Br)c1 13979130 TXBCOUAFUXWJDD-UHFFFAOYSA-N 466.357 2.491 50 10 JEGE O=C(NNC(=O)c1c[nH]c2ccccc2c1=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1 32605284 IORMVXBFXVOFJP-UHFFFAOYSA-N 462.487 2.404 50 10 JEGE CO[C@@H]1C[C@H](CBr)N(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 703965667 SIQJDCBEWRSNHE-ZIAGYGMSSA-N 473.389 2.123 50 10 JEGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@H](C)c1nscc1B(O)O 2248398142 QJCGFFZXFJFMPT-HUUCEWRRSA-N 479.367 2.270 50 10 JEGE CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(CCOCCI)C2)CC1 2306797395 VFWGVFPBVFSHRW-OAHLLOKOSA-N 453.365 2.065 50 10 JEGE Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cccc(OCc3cscn3)c2)cc1 16228358 PDCFNSFKZGOUJN-UHFFFAOYSA-N 474.564 2.112 50 10 JEGE O=C(COC(=O)C1(NS(=O)(=O)c2ccc(Cl)cc2)CCCCC1)NNC(=O)c1cccs1 822109235 HNKKCNOKLGZUFD-UHFFFAOYSA-N 499.998 2.387 50 10 JEGE CS(=O)(=O)N(CC(=O)NN=Cc1cc([N+](=O)[O-])ccc1O)c1ccc2c3c(cccc13)CC2 1084018908 JEFCPFXPHZGNPH-UHFFFAOYSA-N 468.491 2.469 50 10 JEGE COCCCNC(=O)CC(=O)NN=Cc1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 1084651085 LEWHECLSAKOVMN-UHFFFAOYSA-N 460.918 2.350 50 10 JEGE O=C(CCSSc1ccccn1)NCCOCCCCC(=O)ON1C(=O)CCC1=O 2084273066 DHZJXTJFFNXLIA-UHFFFAOYSA-N 455.558 2.122 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCO[C@@H]2C[C@H](Br)C[C@H]21 2128885048 RSRYFTPJIWQTTR-KBRIMQKVSA-N 485.400 2.265 50 10 JEGE O=C(C=Cc1ccc([N+](=O)[O-])cc1)NC(=S)NNC(=O)c1ccc(NC(=O)C2CC2)cc1 2313861880 INVSNNRVRJRMLT-UHFFFAOYSA-N 453.480 2.292 50 10 JEGE Cc1cccc(C)c1OCC(=O)NNC(=O)CCCCC(=O)NNC(=O)COc1c(C)cccc1C 100096388 VMWJBHYZCLGLQN-UHFFFAOYSA-N 498.580 2.233 50 10 JEGE COc1cccc(C=NNC(=O)[C@@H]2CCCN(C(=S)NN[C@@H]3C[C@H]4C=C[C@H]3C4)CC2)c1O 254513484 KMHGIAGHSMGURL-MJQMVNBJSA-N 457.600 2.297 50 10 JEGE COC[C@@H](Br)CCNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703993105 JAYDVCGWYQMDND-ZDUSSCGKSA-N 461.378 2.028 50 10 JEGE O=C(CCc1nc(O)c2cnn(-c3ccccc3)c2n1)NNC(=O)Cn1ccc2ccccc21 729449715 BPRYDPFQUSRADP-UHFFFAOYSA-N 455.478 2.256 50 10 JEGE O=C(CCc1ccccc1O)NN=C1C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 1084131320 GBXSGXOOSCXFNN-UHFFFAOYSA-N 482.496 2.488 50 10 JEGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NNC(=O)c4ccc5c(c4)OCO5)c(=O)c23)C1 1860771972 NKNOSSWQINSHII-RYUDHWBXSA-N 454.508 2.334 50 10 JEGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(N4CCCC4)cc3)C2)C1 1872962493 UPSOVXQEERQESI-VQTJNVASSA-N 476.581 2.417 50 10 JEGE C[C@H]1CO[C@H](CBr)CN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2029232430 INKIIKNEUWIVJD-LSDHHAIUSA-N 473.389 2.267 50 10 JEGE Cc1ccccc1OCC(=O)NC(=S)NNC(=O)c1ccccc1I 12503183 ITMPUDAASMBERC-UHFFFAOYSA-N 469.304 2.314 50 10 JEGE Nc1c(NNC(=O)Cc2ccccc2)ncnc1NNC(=O)c1ccccc1Br 40784964 DJJVAQHPBPQFBD-UHFFFAOYSA-N 456.304 2.264 50 10 JEGE CCN(CC)C(=O)CN1C(=O)/C(=N/NC(=O)c2cc(OC)c(OC)c(OC)c2)c2ccccc21 59152546 KNYMTUHAOVLHPX-NJNXFGOHSA-N 468.510 2.062 50 10 JEGE CN(C)c1ccc(N2/C(=N/C=C(/C#N)C(=O)NCc3ccco3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 205499506 YKPRLWIICIYNIW-ALNFHAMBSA-N 485.591 2.144 50 10 JEGE CCOc1ccc([C@@H](O)CCC(=O)NN=C[C@H]2C(=O)NC(=S)N(c3ccccc3)C2=O)cc1 1084342543 UYQFDOPHVWJQPL-OALUTQOASA-N 468.535 2.065 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@](NS(=O)(=O)CI)(C(F)(F)F)C1 1910108597 RMSISJVVAVRTBZ-SNVBAGLBSA-N 458.240 2.240 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@@H]2[C@@H](CBr)[C@@H]2C1 1944583811 RQQSRXPOGOFEBJ-KBRIMQKVSA-N 455.374 2.355 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCO[C@@H]2C[C@@H](Br)C[C@H]21 2128885047 RSRYFTPJIWQTTR-IAOVAPTHSA-N 485.400 2.265 50 10 JEGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1ccc(B(O)O)cc1 2248413774 ABZOPTFDMRJPEH-KRWDZBQOSA-N 458.323 2.252 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC2(CCOCC2)[C@H]1CCl 2381036824 HSBGOBDPGRFMEA-APWZRJJASA-N 458.939 2.060 50 10 JEGE CCOCCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccccc2Cl)c1 10276720 RXTYZRUZFGJJCI-UHFFFAOYSA-N 451.932 2.470 50 10 JEGE COc1cc(C(=O)NNC(=S)NC(=O)COc2ccc(Cl)cc2C)cc(OC)c1OC 12503418 PBPQTXQCQICMOI-UHFFFAOYSA-N 467.931 2.389 50 10 JEGE CCN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccccc2Br)c2cc(OC)ccc21 38180298 IRPHBRFQYSEHLC-MOHJPFBDSA-N 459.300 2.075 50 10 JEGE O=C(NNc1ncnc(NNC(=O)c2ccco2)c1[N+](=O)[O-])c1ccc(Br)cc1 40657885 PELNEPIVDQPWNN-UHFFFAOYSA-N 462.220 2.254 50 10 JEGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\[C@@H]2C(=O)NC(=S)N(c3ccccc3)C2=O)cc1 100239151 UYQFDOPHVWJQPL-VGUHLAFMSA-N 468.535 2.065 50 10 JEGE O=C1OC(=O)[C@H]2CC[C@H]1N2c1cc(I)cc(I)c1 703435642 CQZSFAIECBEVIE-NXEZZACHSA-N 469.016 2.317 50 10 JEGE Cc1c(C(=O)NNC(=O)c2ccco2)oc2c1C(=NNC(=O)COc1ccccc1)CCC2 1772750218 XQSLVQCSTJVMHK-UHFFFAOYSA-N 450.451 2.491 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2C[C@@H]2[C@H]1CBr 1910416181 VSWCBBVHFOPSPR-VBNZEHGJSA-N 455.374 2.354 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1COC(C)(C)[C@H]1Br 2078732584 IKGNSDWZZGQUNF-CABCVRRESA-N 473.389 2.169 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCO[C@@H]2C[C@H](Br)C[C@@H]21 2128885050 RSRYFTPJIWQTTR-XOKHGSTOSA-N 485.400 2.265 50 10 JEGE CCCOc1ccc(C=NNC(=O)[C@@H](C)Sc2nnc(O)nc2O)cc1Br 2323160875 RCAVVFYPNZEAAM-SECBINFHSA-N 456.322 2.465 50 10 JEGE Cc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1I 13629445 MMLBBHANGLIMMF-ZDUSSCGKSA-N 467.263 2.002 50 10 JEGE Cc1ccc(N2C(=O)[C@H](C=NNC(=O)CC[C@@H](O)c3ccccc3)C(=O)NC2=S)cc1C 725382397 BJMWVUCVEIUKDT-RTBURBONSA-N 452.536 2.283 50 10 JEGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)N2CCCN(C(=O)C(C)C)CC2)cc1 727739057 GEMKPXFJUJVRGP-HMMYKYKNSA-N 492.580 2.058 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(CBr)cc2)[C@@H](CO)C1 1260514096 WJPBFRBJEZBDMD-GDBMZVCRSA-N 463.394 2.478 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@](F)(CBr)C1 1917122187 BLWKRIWLRRBXLL-SFHVURJKSA-N 461.353 2.448 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CBr)C1CCC1 2000543549 NGKNGNOTBDHJED-QAPCUYQASA-N 461.353 2.494 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@]1(CBr)CCCO1 2073630564 NOEXDUYOKHPIOZ-LJQANCHMSA-N 473.389 2.172 50 10 JEGE COC[C@]1(CBr)C=CCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2351690307 LCGWEZRQEYKOST-HXUWFJFHSA-N 485.400 2.291 50 10 JEGE Cc1ccc(/C=N\NC(=O)CN2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)s1 15987678 VJJLDYZCOFQUOY-NDENLUEZSA-N 485.429 2.276 50 10 JEGE O=C(N/N=C1/[C@H]2[C@H]([C@H]3CO[C@@H]1O3)[C@@H]2C(=O)c1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 575732978 CIZRBZQICZJVBQ-MGONPTMTSA-N 452.379 2.089 50 10 JEGE COc1ccccc1CCC(=O)NNC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1865851917 KKZKDVGEPNPAOJ-CQSZACIVSA-N 454.552 2.372 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC(F)(F)C[C@@H]1CBr 1996900976 NFOQHSDUEAWVIO-GFCCVEGCSA-N 465.316 2.497 50 10 JEGE CC(C)(C)OC(=O)N1CCC(F)(CNS(=O)(=O)N2CCC(Br)CC2)CC1 2106305636 QJLMUTHAVKHOMO-UHFFFAOYSA-N 458.394 2.419 50 10 JEGE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H](C)c1cc(B(O)O)cs1 2268655201 JABQMBZXQGENKR-GUXCAODWSA-N 476.404 2.446 50 10 JEGE C/C(N)=C(/C#N)C(=O)COC(=O)C1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 9493838 AJPDEDIQXJFXON-ACCUITESSA-N 460.339 2.263 50 10 JEGE CC(C)COc1ccccc1C(=O)NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 13623508 ALSQVPVBPBPFAR-GOSISDBHSA-N 468.579 2.406 50 10 JEGE COc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2F)cc1I 14037604 LMCLTEIHFVJETB-UHFFFAOYSA-N 473.267 2.388 50 10 JEGE COCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(OC)c(Br)c1 14660638 BVMONEUGVFPQSR-UHFFFAOYSA-N 482.356 2.432 50 10 JEGE CCOC(=O)c1ccc(OCC(=O)NNC(=O)c2ccc(OCCOC)c(Br)c2)cc1 14661583 MARGTTNHVOAVRH-UHFFFAOYSA-N 495.326 2.491 50 10 JEGE COc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)NN3CCN(C)CC3)N(c3ccccc3)C2=O)cc1 102976620 FYJXRORRTKXRCR-CKVBZJJFSA-N 477.590 2.400 50 10 JEGE Cc1c[nH]c(=O)n([C@H]2C[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H](CO)O2)c1=O 238791207 DESOEQMOSZDTPT-YTFSRNRJSA-N 480.637 2.070 50 10 JEGE CN(C1CCN(C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)CC1)S(C)(=O)=O 746841602 AVZUVGKSTTUXCO-CYVLTUHYSA-N 466.567 2.253 50 10 JEGE Nn1c(SCC(=O)NN=Cc2ccc(Cl)cc2)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1083895133 YGWXIHAENHXHMG-UHFFFAOYSA-N 476.862 2.371 50 10 JEGE C=CCOc1cc(OC)ccc1C(=O)NNC(=O)CN1CCN(Cc2ccc(C)cc2)CC1 1149628822 BYWQTRWTMYORLI-UHFFFAOYSA-N 452.555 2.147 50 10 JEGE C=C(C)[C@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(F)c(F)c1 1226646919 KTUDKPZENOLGNE-SFHVURJKSA-N 452.483 2.477 50 10 JEGE O=C(N[C@@H]1CS(=O)(=O)C[C@H]1Br)c1cc(Cl)ccc1I 2121336106 DXLBLGBMQZJYBC-PSASIEDQSA-N 478.533 2.235 50 10 JEGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ncc(B(O)O)cc1F 2301722699 MFLXVVVWRGEALA-NRFANRHFSA-N 463.274 2.156 50 10 JEGE N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)OCC(=O)COC(=O)/C(C#N)=C/c1ccc2c(c1)OCO2 3224341 LQABPPCAHLNNIQ-QJZPKIEXSA-N 488.408 2.314 50 10 JEGE O=C(CN1C(=O)/C(=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)c2ccccc21)Nc1ccccc1 15777368 RRTPZJRGNBOQOW-NJNXFGOHSA-N 459.418 2.420 50 10 JEGE CO[C@@H]1CC(=O)[C@]23C(=O)N[C@H](CC(C)C)[C@@H]2C(C)=C(C)[C@H](OO)[C@@H]3C=C(C)CC[C@@H](O)[C@@H]1O 585660694 FCNYTFYALYEECS-ZPQUDJJSSA-N 465.587 2.394 50 10 JEGE biogenic CS(=O)(=O)N1CCN(C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CC1 843501074 HSPJLTCDSLKCKE-GHRIWEEISA-N 472.958 2.128 50 10 JEGE COc1ccc(C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1OC 1860769650 BWAPVNFASDHKEP-GFCCVEGCSA-N 456.524 2.061 50 10 JEGE COc1ccc(OCC(=O)NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1 1865851931 KPZRETLRRRMKHM-UHFFFAOYSA-N 464.503 2.360 50 10 JEGE COc1ccc(N2C[C@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)c(C)c1 1872961426 KYRWNKBTOCLZAO-QZTJIDSGSA-N 451.527 2.133 50 10 JEGE O=C(CNC(=O)OCC1c2ccccc2-c2ccccc21)Nc1cc(F)c(F)cc1B(O)O 1904706352 PYCDROXUDWYPAG-UHFFFAOYSA-N 452.222 2.122 50 10 JEGE CO[C@H](CBr)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301110809 JRWVDQZZCGEJMP-CQSZACIVSA-N 461.378 2.172 50 10 JEGE Cn1nc(Br)c(Br)c1[C@H](Br)CS(=O)(=O)N1CCOCC1 2364036979 LQCVATHPPDYEAJ-SSDOTTSWSA-N 496.019 2.043 50 10 JEGE O=C(COc1ccccc1)NNc1ncnc(NNC(=O)c2cccc(Cl)c2)c1[N+](=O)[O-] 40658582 BLMOOPREVUAZJN-UHFFFAOYSA-N 457.834 2.317 50 10 JEGE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNc3cc(Cl)ccc3F)c2)CC1 1643003297 RYDIZWRHWJZVMP-UHFFFAOYSA-N 454.911 2.089 50 10 JEGE Cc1c(C(=O)NNC(=O)COc2ccccc2)oc2c1C(=NNC(=O)c1ccncc1)CCC2 1772745851 LGUORIRARDVKAO-UHFFFAOYSA-N 461.478 2.293 50 10 JEGE Cc1sc2ncn(CC(=O)NNC(=O)Cc3ccc(Br)s3)c(=O)c2c1C 1860772238 WEBFLRBOVBQPEI-UHFFFAOYSA-N 455.359 2.289 50 10 JEGE COc1ccc(-c2ccc(C(=O)NNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)c(C)n2)cc1 1865757009 JHZHQWRYUFPQTM-UHFFFAOYSA-N 468.535 2.391 50 10 JEGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1cnc(B(O)O)s1 2248402010 QVNOTHHAUVXHOP-OAQYLSRUSA-N 479.367 2.002 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2OCC[C@]2(CBr)C1 2278886269 CXDCOZLYWPGNKO-UZLBHIALSA-N 485.400 2.124 50 10 JEGE CN(C)c1ccc(N2C(=NC=C(C#N)C(=O)NCc3ccco3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 2296590784 YKPRLWIICIYNIW-VQTJNVASSA-N 485.591 2.144 50 10 JEGE O=C(Cn1nnc(-c2cccc(Cl)c2Cl)n1)NNS(=O)(=O)c1cccc(Cl)c1 1044952 UDCLONKYBOGFKB-UHFFFAOYSA-N 461.718 2.310 50 10 JEGE O=C(CNC(=O)c1cccnc1)N/N=C/c1cc(Br)c(O)c(Br)c1 27519890 CJBXGEFNZLDHTR-CGOBSMCZSA-N 456.094 2.192 50 10 JEGE O=C(Cc1ccccc1)N/N=C1/C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 59157832 FUUOOZBBBBWPFS-WEMUOSSPSA-N 452.470 2.392 50 10 JEGE CCOC(=O)C1=c2sc(=Cc3ccccc3F)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccccc1F 254879357 LGZUZXJNBZLMJX-IBGZPJMESA-N 465.481 2.179 50 10 JEGE CC(=NNC(=O)c1cccc2cccnc12)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 729819690 PFWRKEGMEFSROL-UHFFFAOYSA-N 460.537 2.114 50 10 JEGE COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)Cn3ncc4ccccc43)c2)cc1 730514530 JNARSNOMINFPCC-UHFFFAOYSA-N 479.518 2.307 50 10 JEGE CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)[C@H]3C[C@H]4CC[C@H]3O4)cc2)cc1 1557382026 RONVWSSKFXIRKC-YZGWKJHDSA-N 457.508 2.019 50 10 JEGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)NCCN3CCOCC3)c(C)c21 1772745554 BCZLTSRLKUTTDT-UHFFFAOYSA-N 454.527 2.129 50 10 JEGE O=C(NOCCCNC(=O)c1ccc(B(O)O)s1)OCC1c2ccccc2-c2ccccc21 2243361595 DGFOFMKDCULDPA-UHFFFAOYSA-N 466.324 2.018 50 10 JEGE O=C(CCCNC(=O)OCC1c2ccccc2-c2ccccc21)NCc1ccc(B(O)O)cc1F 2257479346 XQKRXQQLRJGJOT-UHFFFAOYSA-N 476.313 2.441 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)Nc2ccc(B(O)O)cc2F)C1 2284015572 PDLKCGBOVQJRCJ-XMMPIXPASA-N 472.322 2.288 50 10 JEGE CCOC(=O)CN1C(=O)/C(=N\NC(=O)COc2ccc(Br)cc2)c2ccccc21 40845407 VHBWXSLGENNFOS-NMWGTECJSA-N 460.284 2.258 50 10 JEGE Cc1ccc(NC(=O)CN2C(=O)/C(=N\NC(=O)C(=O)Nc3ccccc3)c3ccccc32)cc1 108173632 UHNGBZIAKPWHMM-SLMZUGIISA-N 455.474 2.439 50 10 JEGE CCOC[C@@H](Br)CNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703994538 SXVIALGTPQNOJN-ZDUSSCGKSA-N 461.378 2.028 50 10 JEGE N#C/C(=C/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1)C(=O)NCc1ccccc1 1614103936 TYUSPNWGILKUNA-IXGFOZMBSA-N 466.588 2.481 50 10 JEGE CC(=O)N1CCN(c2ccccc2CNC(=O)NNC(=O)c2nc3ccccc3s2)CC1 1677891556 XXMUFGGGAXPOSC-UHFFFAOYSA-N 452.540 2.109 50 10 JEGE CC(CBr)(CBr)NS(=O)(=O)N1CC(OCc2ccccc2)C1 1959203302 CFBMELQVMXZCCT-UHFFFAOYSA-N 456.200 2.270 50 10 JEGE O=C(CCCNC(=O)OCC1c2ccccc2-c2ccccc21)NCc1cc(B(O)O)cs1 2243925388 VJOXCRBXZDSGMU-UHFFFAOYSA-N 464.352 2.363 50 10 JEGE Cc1cc(NC(=O)[C@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)cc(B(O)O)c1 2284016051 VUSJADZAUNDHLZ-RUZDIDTESA-N 468.359 2.457 50 10 JEGE N#C/C(=C/c1c(Oc2ccc(Cl)cc2)nc2ccccn2c1=O)C(=O)N[C@H]1CCS(=O)(=O)C1 3643975 SDZAEHWDPUCKMR-QBOMHBFWSA-N 484.921 2.350 50 10 JEGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)c2ccccc2O)c(Br)c1 13978541 QVDVMGNFMPWDDH-UHFFFAOYSA-N 452.330 2.432 50 10 JEGE NC(=O)Cn1cc(/C=N/NC(=O)COc2ccc(Br)cc2)c(-c2ccccc2)n1 20530177 DMVLGPAFCVDHGY-AUEPDCJTSA-N 456.300 2.327 50 10 JEGE C[C@@H](NC(=O)/C(C#N)=C\N(CCN(C)C)[C@H]1CCS(=O)(=O)C1)c1ccc2c(c1)CCCC2 253319323 JQAGCHOZCCQYIW-SRGLUEIJSA-N 458.628 2.201 50 10 JEGE CCCOc1ccc(-c2c(C(=O)NN=Cc3cccc(OC)c3OC)nnn2-c2nonc2N)cc1 254305681 URAPFJAKZNUBDS-UHFFFAOYSA-N 492.496 2.469 50 10 JEGE CCOc1cc(C=NNC(=O)c2nnn(-c3nonc3N)c2C)ccc1OCc1ccc(F)cc1 254518153 KRMZHIRZIMMAEU-UHFFFAOYSA-N 480.460 2.422 50 10 JEGE CCN(Cc1cnn(C)c1)C(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1ccc(OC)cc1 743948377 GZDMTMTXVWLIHH-YBFXNURJSA-N 461.526 2.123 50 10 JEGE N#CCCn1cc(/C=C(\C#N)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)c(-c2ccccc2)n1 914750777 DBPWKQXKWWXSSA-OQKWZONESA-N 471.565 2.137 50 10 JEGE C=CCOc1ccc(/C=C\C(=O)N2CCN(S(=O)(=O)CBr)CC2)cc1OC 1566975554 QSEBYAPKNBWPES-ALCCZGGFSA-N 459.362 2.100 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NC[C@H](CBr)C(F)(F)F 1977239981 LBSDFGUEHBHARI-JTQLQIEISA-N 457.268 2.166 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CBr)C(F)(F)F 2000545158 RCDKZKSPZNGLPE-BXUZGUMPSA-N 475.258 2.256 50 10 JEGE CC(C)(C)OC(=O)N1C[C@@H]2CC(NS(=O)(=O)N3CCC(Br)CC3)C[C@H]2C1 2106299901 AMHDMANJLFZIOK-STQMWFEESA-N 452.415 2.326 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2OCCC[C@@]2(CCl)C1 2239163366 UOXFVVZBMRQGCS-LAUBAEHRSA-N 454.976 2.358 50 10 JEGE Cc1cc(B(O)O)c(CNC(=O)[C@@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)s1 2243685216 PLEHQQRHCZTNEI-OAHLLOKOSA-N 464.352 2.280 50 10 JEGE C[C@H](c1cscc1B(O)O)N(C)C(=O)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2256675165 OPJDCQHEMPDTLE-DNVCBOLYSA-N 462.377 2.057 50 10 JEGE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)Nc1ccc(C(F)(F)F)c(B(O)O)c1 2370122342 IALPCFVPFXENAN-GOSISDBHSA-N 482.264 2.434 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC2(CCOCC2)[C@@H]1CCl 2381036825 HSBGOBDPGRFMEA-LPHOPBHVSA-N 458.939 2.060 50 10 JEGE COC(=O)c1ccccc1NC(=O)C/C(C)=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 100980891 RCZVLCAYKUZYOT-WSDLNYQXSA-N 457.399 2.353 50 10 JEGE N#CC[C@](O)(C#N)c1c(F)c(F)c([C@@H](C#N)c2ccc(N(CCO)CCO)cc2)c(F)c1F 514260780 PXIHAXXZJWNGMC-NYHFZMIOSA-N 462.403 2.314 50 10 JEGE CC(=O)O[C@H]1[C@H](CO[Si](C)(C)C(C)(C)C)O[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 1083805705 RDLYSPHPIQHWLE-FKSLSLAPSA-N 462.568 2.091 50 10 JEGE CC(C)C(=O)NNC(=O)[C@@H](C)Sc1n[nH]c(NN=Cc2cc(Br)ccc2O)n1 1083958904 PKIHUMMBIUZRJO-SECBINFHSA-N 470.353 2.003 50 10 JEGE Nn1c(SCC(=O)NN=Cc2cc(Br)ccc2O)nnc1-c1ccccc1O 1084243906 PDJLCYFGAYPQMG-UHFFFAOYSA-N 463.317 2.075 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2[C@@H](CBr)[C@@H]2C1 1943071104 SDKUUXBJZKFDQM-PHZGNYQRSA-N 455.374 2.211 50 10 JEGE COC(=O)[C@@H](Br)CN(Cc1ccccc1)CC1(O)CN(C(=O)OC(C)(C)C)C1 1955894102 POIXIUDGAZTPKJ-INIZCTEOSA-N 457.365 2.407 50 10 JEGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)CCOCCCl)CCN1C(=O)OC(C)(C)C 1989583012 MHYJNKVHFZFSGP-UHFFFAOYSA-N 472.004 2.276 50 10 JEGE CO[C@H]1CCN(S(=O)(=O)N2CCC(Br)CC2)[C@H](CNC(=O)OC(C)(C)C)C1 2163056562 SSLJRLZXUNPXNZ-GJZGRUSLSA-N 470.430 2.095 50 10 JEGE CC(C)(CC(CBr)(CBr)[C@H]1CCS(=O)(=O)C1)S(C)(=O)=O 2167893499 CHHLDGQOEWQZFS-JTQLQIEISA-N 454.246 2.411 50 10 JEGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@H](C)c1nscc1B(O)O 2248398143 QJCGFFZXFJFMPT-LSDHHAIUSA-N 479.367 2.270 50 10 JEGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccnc(B(O)O)c1 2248401591 LBQIOSIIFUVKFS-HSZRJFAPSA-N 459.311 2.263 50 10 JEGE COc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3Br)n2N)c1O 58990120 WACSCNFNGUVRKQ-ZVBGSRNCSA-N 477.344 2.378 50 10 JEGE CCOC(=O)C1=NO[C@@H](Cc2c(C=NNC(=O)Cc3ccccc3)c(OC)c3c(c2OC)OCO3)C1 254377832 IPLQLMLBHTTXBI-INIZCTEOSA-N 497.504 2.376 50 10 JEGE CCN(CC)c1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2-c2ccc3c(c2)OCO3)cc1 254628072 HAJNBRLFVHTZEB-UHFFFAOYSA-N 489.496 2.238 50 10 JEGE N#CCCn1cc(/C=C(\C#N)C(=O)NCCN2CCN(c3ncccn3)CC2)c(-c2ccccc2)n1 918623012 FDPAHWJHJDGOQS-RELWKKBWSA-N 481.564 2.099 50 10 JEGE C=CCNS(=O)(=O)c1cc(C(=O)NNC(=O)[C@H](C)Oc2cccc(Cl)c2)ccc1F 1639834947 QZUORYVZIQDHHU-LBPRGKRZSA-N 455.895 2.172 50 10 JEGE Cc1ccc(S(=O)(=O)NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1 1860770593 ORXHBTHZHDDVCZ-UHFFFAOYSA-N 454.533 2.443 50 10 JEGE COc1ccc(Cl)cc1N1C[C@H](C(=O)N2CCC[C@H](C(=O)NNc3ccccn3)C2)CC1=O 1873777344 GEIATAKNIUVXIH-JKSUJKDBSA-N 471.945 2.478 50 10 JEGE O=S1(=O)C[C@@H](Cl)[C@H](Nc2ncc(I)cc2Br)C1 2015762599 NBFMEWOFOGRJOL-HTQZYQBOSA-N 451.511 2.265 50 10 JEGE O=S1(=O)CCCN(S(=O)(=O)c2cc(CBr)sc2Br)CC1 2179793771 YQDKSUBQJWMKDD-UHFFFAOYSA-N 467.226 2.215 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCO[C@H](CBr)C1 2316825185 BRKDMIRVQHHPOD-OAHLLOKOSA-N 473.389 2.269 50 10 JEGE CC(=NNC(=O)c1c(C)nnn1-c1nonc1N)c1ccc(OCc2ccc(F)cc2)cc1 254814882 YNHUMNGSBAUVIT-UHFFFAOYSA-N 450.434 2.413 50 10 JEGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)N2CCN(c3ccccn3)CC2)cc1 920847490 FCXUPKOOXVQHIA-CAPFRKAQSA-N 485.548 2.085 50 10 JEGE O=C(Cc1ccccc1)NN=C1C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 1084166956 FUUOOZBBBBWPFS-UHFFFAOYSA-N 452.470 2.392 50 10 JEGE CS(=O)(=O)c1ccccc1C(=O)NNC(=O)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O 1865756047 CKQCTCMYIZTRPB-UHFFFAOYSA-N 481.461 2.105 50 10 JEGE COC(=O)[C@H](I)CNS(=O)(=O)c1c(C)sc(C)c1Br 2087634811 UESYYGQBZBLIPN-SSDOTTSWSA-N 482.159 2.382 50 10 JEGE O=S(=O)(C1CC(CBr)C1)N1CC[C@@H](N2CCN(Cc3ccccc3)CC2)C1 2179954243 LMCBRGZSWZNAAX-IOJLRTSASA-N 456.450 2.382 50 10 JEGE Nc1c(NNC(=O)c2ccccn2)ncnc1NNC(=O)C(c1ccccc1)c1ccccc1 101571345 YHAPBBUIOUNIOT-UHFFFAOYSA-N 454.494 2.486 50 10 JEGE N#C/C(=C/N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1)C(=O)NCc1ccccc1 254800003 CADIJGPZBWXFBH-QJKYWSIRSA-N 452.561 2.485 50 10 JEGE O=C(CNC(=O)c1cccs1)NNC(=O)N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 727480348 YBYQGKNAWVDHME-GOSISDBHSA-N 475.958 2.320 50 10 JEGE O=C(COc1ccc(C=NNC(=O)C(=O)NC[C@@H]2CCCO2)cc1)Nc1cccc(Cl)c1 1083971919 CQZUCJPQPWEHNK-IBGZPJMESA-N 458.902 2.103 50 10 JEGE CC(=NNc1nc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)n[nH]1)c1ccc(N)cc1 1084064061 MSNIXMSTRVYNOC-UHFFFAOYSA-N 458.935 2.430 50 10 JEGE C[C@H](Br)[C@H](NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)C(F)(F)F 1990686333 MAZJTOGCDDBFQT-CABZTGNLSA-N 457.268 2.306 50 10 JEGE Cc1ccc(C(=O)NCCCONC(=O)OCC2c3ccccc3-c3ccccc32)cc1B(O)O 2255734436 ATPGTZURIFXUPQ-UHFFFAOYSA-N 474.322 2.265 50 10 JEGE N#CC(=CN=C1S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1)C(=O)NCc1ccccc1 2296601252 TYUSPNWGILKUNA-RTWAWAEBSA-N 466.588 2.481 50 10 JEGE O=S1(=O)C[C@H](I)[C@H](OCc2cccc(I)c2)C1 2302689145 DXRDXRQURUXKPA-WDEREUQCSA-N 478.089 2.408 50 10 JEGE CCOC(=O)C=CC(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2C)cc1 2313607107 CNRHKPGOECMUFA-UHFFFAOYSA-N 454.508 2.002 50 10 JEGE CN(CCBr)CCN(C)C(=O)c1c(Br)c(Br)nn1C 2338673522 MAQHVOQHDCWDTG-UHFFFAOYSA-N 460.996 2.344 50 10 JEGE COc1ccccc1C(=O)N[C@H](CCSC)C(=O)NNC(=O)c1cn(C)c2ccccc12 10736356 IXYQZMKWGHROPD-GOSISDBHSA-N 454.552 2.500 50 10 JEGE Cc1cccc(OCC(=O)NNC(=O)CCCCC(=O)NNC(=O)COc2cccc(C)c2C)c1C 100187392 NWAMOFASRACWGT-UHFFFAOYSA-N 498.580 2.233 50 10 JEGE N#C/C(=C/NC(=O)C1CCNCC1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216505855 LMHABNBPNRGDJN-GFMRDNFCSA-N 457.578 2.443 50 10 JEGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNS(=O)(=O)c3ccccc3)cc2)cc1OC 254860921 WGQLLTDNGZYNAW-UHFFFAOYSA-N 497.529 2.352 50 10 JEGE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1140533936 LYVOFHRTGGFYKB-HZPDHXFCSA-N 452.552 2.088 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2C(CBr)[C@@H]2C1 1943071102 SDKUUXBJZKFDQM-HOTGVXAUSA-N 455.374 2.211 50 10 JEGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)NC[C@@]1(CBr)C[C@@H]1C(F)(F)F 2017507946 NHRQJPGWJPTZLI-WFASDCNBSA-N 469.279 2.166 50 10 JEGE Cn1nnc(Br)c1CC(CBr)(CBr)[C@@H]1CCS(=O)(=O)C1 2145947502 NGVJNNINKUPWQC-MRVPVSSYSA-N 494.047 2.331 50 10 JEGE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@H]3NS(=O)(=O)N1CCC(Br)CC1 2169566036 WTCNKUHSLOKDRZ-NRLBWEKTSA-N 464.426 2.324 50 10 JEGE CN(C[C@H](COCc1ccccc1)Oc1ncc(Br)cc1B(O)O)C(=O)OC(C)(C)C 2217191201 BSRXTVXRFDOAJP-QGZVFWFLSA-N 495.179 2.355 50 10 JEGE CN([C@@H]1CN(C(=O)OC(C)(C)C)CC12CC2)S(=O)(=O)N1CCC(Br)CC1 2271401964 NZIYNGRGYQWXSQ-CQSZACIVSA-N 452.415 2.422 50 10 JEGE Cc1nc(C)c(B(O)O)c(Sc2cc(I)ccc2Br)n1 2363624839 KMVIQIDNPCBFKL-UHFFFAOYSA-N 464.919 2.292 50 10 JEGE COCc1c(C(=O)N/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)nnn1-c1nonc1N 27571992 MPBQHMQDALNWRT-YSURURNPSA-N 470.534 2.443 50 10 JEGE Cn1nc(C(=O)NNC(=O)c2ccc(Cl)cc2I)c2ccccc2c1=O 71964221 OUFGINLQOCDMFK-UHFFFAOYSA-N 482.665 2.266 50 10 JEGE CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)NN=Cc2cc(C)n(C)c2C)c(OC)c1 252629494 UHHZSRXXKOZSFP-QHCPKHFHSA-N 497.552 2.371 50 10 JEGE C#C[C@H](NC(=O)NNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1)C(C)C 1682897697 WLWLAXGHOIVQGR-NRFANRHFSA-N 456.568 2.418 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@](F)(CBr)C1 2000539749 MHKGPGOSCXRPBD-DLBZAZTESA-N 465.316 2.150 50 10 JEGE O=C(N[C@H]1C(F)(F)C12CC(Nc1ncc(Br)cc1B(O)O)C2)OCc1ccccc1 2240337563 SROAWUVZWGEEJH-CRPOECCBSA-N 482.090 2.029 50 10 JEGE O=C(NCCNC(=O)c1cccc(B(O)O)c1Cl)OCC1c2ccccc2-c2ccccc21 2243397508 CMDFEWNFXDQWOL-UHFFFAOYSA-N 464.714 2.288 50 10 JEGE CCOc1c(Br)cc(C=NNC(=O)CCc2c(C)nc(O)nc2O)cc1OC 2323719982 XSXXQATWKMGHDQ-UHFFFAOYSA-N 453.293 2.449 50 10 JEGE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]2CC[C@@H]1N2S(=O)(=O)N1CCC(Br)CC1 2330486960 BYKRKEHNFVPHCH-CFVMTHIKSA-N 452.415 2.468 50 10 JEGE CC(C)(C)OC(=O)N1CCN(C[C@]2(CBr)CC2(F)F)[C@H]2CS(=O)(=O)C[C@H]21 2351885397 JDYVXALLMWYPFC-YWPYICTPSA-N 459.353 2.125 50 10 JEGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1C(=NNC(N)=S)CCC2 1772749934 HMQMDKDHPZPMPQ-UHFFFAOYSA-N 464.345 2.299 50 10 JEGE CC(C)(C)OC(=O)NC1(CC(=O)N[C@@H]2CCC=C2B(O)O)CCN(Cc2ccccc2)CC1 2268649796 KVIWPSCREKWSCB-HXUWFJFHSA-N 457.380 2.153 50 10 JEGE C/C(=N\NC(=O)CSc1nnc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1N)c1cccs1 58991705 YWUFPPMPWRPLBV-GIJQJNRQSA-N 462.473 2.169 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1[C@H](CBr)C[C@@H]2OCC[C@H]21 2030093999 KXMGCPRPJFVPGX-XKQJLSEDSA-N 471.373 2.019 50 10 JEGE O=C1CC[C@H](N2C(=O)c3cccc(NCCCCCCI)c3C2=O)C(=O)N1 2113674336 CHBAHGACRCLCHF-AWEZNQCLSA-N 483.306 2.495 50 10 JEGE O=S(=O)(N1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1)N1CCCC[C@@H]1CBr 2179816105 IOQPUXQFYSRAAF-QRVBRYPASA-N 458.422 2.066 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CCl)CC1CCOCC1 2195502126 NCAMJVWTMCQYJK-QRWLVFNGSA-N 460.955 2.354 50 10 JEGE COC(=O)c1cc(OC)c(OC)cc1NC=C1C(=O)N(CCCN2CCCC2=O)C(=O)C(C#N)=C1C 2296535558 URLRIEYKEZXIQJ-UHFFFAOYSA-N 496.520 2.008 50 10 JEGE COC(=O)Oc1ccc(C=NNC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1OC 15985727 UDSCJQURLLFNAW-UHFFFAOYSA-N 469.903 2.410 50 10 JEGE CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NNC(=O)c1nn(C)c(=O)c3ccccc13)O[C@@H](C)C2 730516328 FKPWRCLRIYFEMK-IXDGSTSKSA-N 462.506 2.220 50 10 JEGE Nc1c(C(=O)NNC(=S)NC(=O)/C=C\c2ccccc2Cl)nnc2cc(-c3ccccc3)nn12 1088669537 PLSDAFGPOYZOQS-KHPPLWFESA-N 492.952 2.376 50 10 JEGE CS(=O)(=O)Cc1ccc(C(=O)NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1 1860770136 VAROBDCUGHGLPH-UHFFFAOYSA-N 496.570 2.131 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CBr)C[C@@H]1CCOC1 1883271135 XXRJBJYPJVZDKJ-LSDHHAIUSA-N 487.416 2.418 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H]2C[C@@H]2[C@H]1CBr 2021753461 VFNNYGHYXHCFIL-RRQGHBQHSA-N 455.374 2.498 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H](CBr)C[C@H]2OCC[C@H]21 2090531444 RAKLBIDRLUAPFB-IAOVAPTHSA-N 485.400 2.265 50 10 JEGE CC(C)(C)OC(=O)N(CCOc1ncc(Br)cc1B(O)O)Cc1ccccc1 2210065640 PPNCCTXRRCIKQF-UHFFFAOYSA-N 451.126 2.340 50 10 JEGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)c(B(O)O)s1)Cc1ccccc1 2247942534 WLWPDNDPRSVJAM-UHFFFAOYSA-N 478.832 2.404 50 10 JEGE Cc1csc(CN(C)C(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)c1B(O)O 2268634869 LBZYANKZKZUCNU-OXJNMPFZSA-N 476.404 2.193 50 10 JEGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ncc(B(O)O)c(C)n1 2268651884 QWNUPCBHNVEZKB-WNSKOXEYSA-N 488.353 2.357 50 10 JEGE CC(C)(CI)CN1CCN2C(=O)[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C1 2306820212 BOITWVYKPQFDCU-CHWSQXEVSA-N 451.349 2.257 50 10 JEGE COc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2OC)cc1I 13982388 DDVXCRZLWIZUQM-UHFFFAOYSA-N 485.303 2.258 50 10 JEGE COC(=O)c1ccc(C(=O)OC)c(N/C=C(/C#N)C(=O)NCCc2ccc(OC)c(OC)c2)c1 216782604 YLPKIOOUVCORPC-VKAVYKQESA-N 467.478 2.455 50 10 JEGE COC(=O)[C@@H](I)CNS(=O)(=O)c1c(Cl)cccc1Br 302383710 FAGFJVIYKHKNHP-QMMMGPOBSA-N 482.521 2.357 50 10 JEGE CC(=O)[C@H]1CC(C(=O)NNC(=O)CCCCCNC(=O)OC(C)(C)C)=NN1c1ccccc1 1645576537 GSAOXZKMSFMYKE-LJQANCHMSA-N 459.547 2.443 50 10 JEGE CS(=O)(=O)c1ccccc1C(=O)NNC(=O)CCC(=O)c1ccc(Br)cc1 1865756307 RERTXKQATYZXGV-UHFFFAOYSA-N 453.314 2.277 50 10 JEGE C[C@@H](NC(=O)c1cnn(C)c1I)c1nnc(CBr)s1 1877571813 QOVLSNCHQNXVHY-RXMQYKEDSA-N 456.107 2.262 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@@H](CBr)C[C@H]1CCOC1 2074894823 DXILQZRXDVFCNW-HUUCEWRRSA-N 473.389 2.172 50 10 JEGE COc1ccc(C=CC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 2323422693 FYLKWGNYWDOPBL-CQSZACIVSA-N 452.536 2.452 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2COC[C@@H](C1)[C@H]2Cl 2364216916 SENPGCLCAAYUHV-HGKCTWBKSA-N 454.976 2.358 50 10 JEGE CCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 12503674 KETMJHXNOBJABW-UHFFFAOYSA-N 460.512 2.010 50 10 JEGE Cc1cn([C@H]2C[C@H](O)[C@@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O2)c(=O)[nH]c1=O 195998359 DARXFPLZEZMZTP-YTFSRNRJSA-N 480.637 2.070 50 10 JEGE C[C@H]1CCCCN1Cc1c(C(=O)NN=Cc2cccc(C(F)(F)F)c2)nnn1-c1nonc1N 254392872 HRUOMVSAKXFXJX-LBPRGKRZSA-N 477.451 2.390 50 10 JEGE N#C/C(=C\N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1)C(=O)NCc1ccccc1 254800000 CADIJGPZBWXFBH-LJUNTLADSA-N 452.561 2.485 50 10 JEGE CC(C)(C)c1ccc(C(=O)NNC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)cc1 726070733 DJPNWQROOBQQIS-HKUYNNGSSA-N 479.986 2.223 50 10 JEGE C=CC[C@@]1(C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)CCCN1C(=O)OC(C)(C)C 1350197974 DPMZOAFOKXTHFQ-NRFANRHFSA-N 451.545 2.197 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@@H]2CC(Br)C[C@H]2C1 2012874567 BSTXXGGDKQXGOR-KBPBESRZSA-N 455.374 2.498 50 10 JEGE O=C(NCC1(CBr)CCS(=O)(=O)CC1)c1cc(I)sn1 2199828731 ZCFLVEJMYBYFIK-UHFFFAOYSA-N 493.186 2.067 50 10 JEGE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@H]1CN(S(=O)(=O)N1CCC(Br)CC1)C2 2226531806 LBFDWDUKXRGYEM-VNHYZAJKSA-N 452.415 2.326 50 10 JEGE O=C(NNc1ncnc(N2CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 40611588 JOCPPWAGPRLSID-UHFFFAOYSA-N 478.469 2.372 50 10 JEGE C[C@@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)Cc4cn(C)c5ccccc45)c(=O)c23)C1 1865852322 SBRRVCUXOYYNHO-CQSZACIVSA-N 463.563 2.465 50 10 JEGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 1897682724 VJKHLLRKVJDLRH-KBPBESRZSA-N 465.638 2.379 50 10 JEGE O=C(OCc1ccccc1)N1CCC2(CC1)C[C@H](NS(=O)(=O)CI)CO2 1983334134 NZPKOZDPZSBFDG-HNNXBMFYSA-N 494.351 2.259 50 10 JEGE CC(C)(C)OC(=O)N1C[C@H](OC2CC(CS(C)(=O)=O)C2)[C@H](I)C1 1995355394 ZTMQNZQNKQTOST-TUUUFIMRSA-N 459.346 2.249 50 10 JEGE CN(CCBr)CCN(C)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2029212863 OBDVRYIQFBBWRV-UHFFFAOYSA-N 474.421 2.041 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC2(CC1)C[C@@H](Cl)CO2 2173127098 HNNSXHGDLYESAF-KUHUBIRLSA-N 458.939 2.203 50 10 JEGE CC(C)(C)OC(=O)NCCN(C1CCOCC1)S(=O)(=O)N1CCC(Br)CC1 2186605545 IIXGMWVDSITYDG-UHFFFAOYSA-N 470.430 2.096 50 10 JEGE O=C(C=Cc1ccc([N+](=O)[O-])cc1)NC(=S)NNC(=O)COc1ccc(Br)cc1 2313861641 CLUSCFYWZPQFGO-UHFFFAOYSA-N 479.312 2.471 50 10 JEGE Cc1nc2c3ccccc3nc(NNC(=O)CCC(=O)N3CCN(c4ccccc4)CC3)n2n1 8614741 ZOIPXHSPCNQMGA-UHFFFAOYSA-N 458.526 2.158 50 10 JEGE Cc1cc(=O)n(C(C)C)c(=S)n1C(=O)C1=C[C@@H]([N+](=O)[O-])[C@H](Br)C([N+](=O)[O-])=C1 100844751 PXZZBYBVSQVLIA-MFKMUULPSA-N 459.278 2.418 50 10 JEGE COc1cc(OC)cc(C(=O)Oc2ccc(C=NNC(=O)C(=O)N3CCCC3)cc2OC)c1 748139402 GQUALMVXPLNMJI-UHFFFAOYSA-N 455.467 2.004 50 10 JEGE Cc1ccc(S(=O)(=O)NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1 1860770532 MGNOUJPGGXIDNZ-UHFFFAOYSA-N 454.533 2.443 50 10 JEGE C[C@H](Br)C(=O)Nc1c(I)ncnc1I 1884879130 CDYAVHJSSRBWHF-VKHMYHEASA-N 481.857 2.408 50 10 JEGE CC(C)(C)OC(=O)N1CCC[C@@H]([S@](C)(=O)=NS(=O)(=O)CI)C1 1910107922 PFGHDIOGFHLQMR-UZJPJQLHSA-N 466.363 2.206 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCC(OCCCBr)CC1 2086336534 RRIQNRIJGNPFIB-UHFFFAOYSA-N 473.389 2.269 50 10 JEGE C[C@H](NC(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(B(O)O)c1 2248884568 ZDGKCRXQDBLTEI-KRWDZBQOSA-N 458.323 2.472 50 10 JEGE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)c(F)c1B(O)O 2268635377 QILVVPFKMBDFLU-DJJJIMSYSA-N 464.274 2.082 50 10 JEGE Cc1ccccc1N(CC(=O)NN=Cc1ccc(OCC(N)=O)cc1)S(=O)(=O)c1ccccc1 254401039 UTMFIZWEUKCKAI-UHFFFAOYSA-N 480.546 2.205 50 10 JEGE CC(=O)N[C@H](C(=O)NNC(=O)c1cncn1-c1ccccc1)c1cccc(Br)c1 1540479214 BDAZMHPWELMQPM-SFHVURJKSA-N 456.300 2.273 50 10 JEGE C[P@]1(=O)C[C@H](Br)[C@H](NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 2008547910 XFXBIDDZQREQIH-JZXAWVDUSA-N 477.317 2.121 50 10 JEGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2c(cccc2B(O)O)C1 2256606776 WDFDGQJNEZBLNV-QGZVFWFLSA-N 470.334 2.178 50 10 JEGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)Nc1cc(F)c(F)cc1B(O)O 2351772097 VSUSVUCOTIPCKV-OAHLLOKOSA-N 464.274 2.083 50 10 JEGE CCOC(=O)CCC(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2C)cc1 12570615 WFZDFXYGHFWBTH-UHFFFAOYSA-N 456.524 2.226 50 10 JEGE CC(C)NC(=O)NNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 745145803 GXSPBHNVYKZTKX-UHFFFAOYSA-N 470.901 2.498 50 10 JEGE CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NNC(=O)[C@H]3Cc4ccccc4O3)cc2)cc1 748280196 PXJUSBXCRAGADG-HSZRJFAPSA-N 493.541 2.132 50 10 JEGE CC(=O)c1cccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)c1 1618586509 WADNUIIWLFUAFO-UHFFFAOYSA-N 451.504 2.443 50 10 JEGE C=C[C@@H]1OCCC[C@H]1NC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2OC)c1 1682524522 PYVRZBVOINRYFM-MJGOQNOKSA-N 474.539 2.174 50 10 JEGE O=C(NS(=O)(=O)c1ccc(CCNC(=O)[C@@H]2CCCO2)cc1)Oc1ccc([N+](=O)[O-])cc1F 1859003020 CCMIIIWETIJHFM-SFHVURJKSA-N 481.458 2.049 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H](CBr)C1CC1 2000541558 IQRYGXSRAHIEGB-SCLBCKFNSA-N 461.353 2.351 50 10 JEGE CC(C)(C)OC(=O)NC1CCS(=O)(=NS(=O)(=O)N2CCC(Br)CC2)CC1 2106782805 UHKVFGKMRWRMTC-UHFFFAOYSA-N 474.443 2.246 50 10 JEGE CC(C)(C)OC(=O)NCCCC[S@](C)(=O)=NS(=O)(=O)N1CCC(Br)CC1 2110309926 QEACUKCUWYCSBM-VWLOTQADSA-N 476.459 2.493 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H]2CCO[C@]2(CBr)C1 2231356441 VERJSDPIDRJSCO-FOIQADDNSA-N 485.400 2.269 50 10 JEGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)N[C@H]3CCS(=O)(=O)C3)c(Oc3ccccc3)nc12 2296718577 ZLHOOROTZYAROY-KRWDZBQOSA-N 464.503 2.006 50 10 JEGE CC(C)(C)OC(=O)N1CC(F)(F)[C@](C)(NS(=O)(=O)N2CCC(Br)CC2)C1 2336393171 XBVDPNJBKRRSQY-CQSZACIVSA-N 462.357 2.325 50 10 JEGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)Nc1cc(F)c(B(O)O)c(F)c1 2341186360 OXULMDDUPAHURE-MRXNPFEDSA-N 464.274 2.083 50 10 JEGE O=C(CCCBr)NCCS(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1 10070632 WDWLGEVGJCMSSS-UHFFFAOYSA-N 452.802 2.083 50 10 JEGE C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)NNC(=O)c1ccccc1I 14033773 CICNMSIEFTZAAR-JTQLQIEISA-N 455.208 2.428 50 10 JEGE CN(C)c1ccc(N2/C(=N/C=C(/C#N)C(=O)NCc3ccco3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 102721029 YKPRLWIICIYNIW-UJBSKPNLSA-N 485.591 2.144 50 10 JEGE O=C(COc1cccc(C=NNC(=O)C(=O)NCc2ccc3c(c2)OCO3)c1)Nc1ccccc1 254516233 CQRYWTLFHASDKP-UHFFFAOYSA-N 474.473 2.199 50 10 JEGE CCN(C[C@H]1CCOC1)C(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1ccc(OC)cc1 920850071 AUFFDASBGGHPCC-UEXNTNOUSA-N 451.527 2.226 50 10 JEGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NCCN2CCC[C@@H](C)C2)cc1 920853439 CQDZZUPUUMZPNA-SQVRNEIYSA-N 464.570 2.189 50 10 JEGE C#C[C@@H](NC(=O)NNC(=O)c1ccc(NS(=O)(=O)c2ccc(OCC)cc2)cc1)C(C)C 1673335342 NJNPYRUYKWUDOL-HXUWFJFHSA-N 458.540 2.488 50 10 JEGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)C1 1872960790 GAGPABMFUORNSR-ZWKOTPCHSA-N 455.946 2.465 50 10 JEGE CC(C)(C)OC(=O)NC[C@@]12CC[C@@H]1CN(S(=O)(=O)N1CCC(Br)CC1)C2 2136672428 IPQTZVWANNSZBF-CXAGYDPISA-N 452.415 2.327 50 10 JEGE Cn1ncc(C(=O)N[C@@H](CBr)CC2CCOCC2)c1I 2195480715 AQAMGJGGDQWVBE-SNVBAGLBSA-N 456.122 2.335 50 10 JEGE O=C(CCCNC(=O)OCC1c2ccccc2-c2ccccc21)NCc1cccc(B(O)O)c1 2248899966 CEEIIYNSBKZYJF-UHFFFAOYSA-N 458.323 2.302 50 10 JEGE COc1ccc(CC(=O)NC(=S)NNC(=O)c2ccc(OC)c(Br)c2)cc1 12503614 XTJRBTUBZSUODC-UHFFFAOYSA-N 452.330 2.345 50 10 JEGE O=C(COc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)COc1ccc([N+](=O)[O-])cc1 12572415 JAGYVQOFRHPSJC-UHFFFAOYSA-N 473.294 2.381 50 10 JEGE Cc1ccccc1C(=O)NNc1ncnc(NNC(=O)c2cccc([N+](=O)[O-])c2)c1[N+](=O)[O-] 40657707 QHTREXRBPGXWJN-UHFFFAOYSA-N 452.387 2.115 50 10 JEGE CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNc2ccc(F)c(F)c2F)c1 116756067 BUEMHNJJVVKMIP-UHFFFAOYSA-N 458.462 2.008 50 10 JEGE COc1ccc(Cl)cc1N1C[C@@H](C(=O)N2CCC[C@@H](C(=O)NNc3ccccn3)C2)CC1=O 1873777341 GEIATAKNIUVXIH-CVEARBPZSA-N 471.945 2.478 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC([C@@H](F)CBr)C1 2001903009 IFMWPWJMZXLQMU-WMLDXEAASA-N 465.316 2.005 50 10 JEGE C[C@H]1CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C[C@@H](CCBr)O1 2058882089 HSZSOOOJIWUVJN-LSDHHAIUSA-N 473.389 2.267 50 10 JEGE O=C(N[C@@H]1CS(=O)(=O)C[C@H]1Br)c1ccc(I)c(Cl)c1 2121339334 ZADPAHKJOWNWKA-GMSGAONNSA-N 478.533 2.235 50 10 JEGE OB(O)c1cnc(Nc2cc(Br)c(Br)c(Br)c2)nc1 2231645049 GYDQDIQDLHDXPJ-UHFFFAOYSA-N 451.709 2.188 50 10 JEGE Cc1scc(C(=O)NC2(CNC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)c1B(O)O 2369530605 NJRJNQQOWSIIJS-UHFFFAOYSA-N 487.431 2.026 50 10 JEGE COc1ccc(/C(C)=N/NC(=O)CSc2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2N)cc1 58991910 NRONJXABVWKBMK-SRZZPIQSSA-N 486.470 2.116 50 10 JEGE O=S1(=O)CCC(C(CBr)(CBr)[C@@H]2CCS(=O)(=O)C2)CC1 689933039 XFAXTOJZMQNLPC-LLVKDONJSA-N 452.230 2.022 50 10 JEGE C[C@@H]1[C@H](CBr)CCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000538688 IJBGNUORMDNEPJ-FHSNZYRGSA-N 461.353 2.446 50 10 JEGE O=S(=O)(Cc1ncsc1Br)NC[C@H](Br)CBr 2210632801 JUNMECMPPUAWCP-RXMQYKEDSA-N 457.007 2.483 50 10 JEGE Cc1cc(CNC(=O)[C@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)ccc1B(O)O 2251324068 MMBZTRBRNCRFNG-KRWDZBQOSA-N 458.323 2.218 50 10 JEGE Cn1ncc(C(=O)NCCSSCCNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2267507978 XPSADHUSGHKXIL-UHFFFAOYSA-N 486.469 2.355 50 10 JEGE Cc1cc(B(O)O)c(CN(C)C(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)s1 2268655011 GVDBDOKUVPAJSW-OXJNMPFZSA-N 476.404 2.193 50 10 JEGE COc1cc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C(C)C)cc2)cc(OC)c1OC 9972731 RZFPLBMWEQKFHF-UHFFFAOYSA-N 474.539 2.256 50 10 JEGE O=C(CCC(=O)NNC(=S)NC(=O)c1ccccc1Br)NCc1ccccc1 12500898 JVNKWQMZRKEEQP-UHFFFAOYSA-N 463.357 2.181 50 10 JEGE COc1ccc(OCC(=O)NC(=S)NNC(=O)c2ccccc2I)cc1 13978780 OBPRRMGXXSNSPS-UHFFFAOYSA-N 485.303 2.014 50 10 JEGE COC(=O)c1ccc(/C=N/Nc2nc(SCC(=O)NNC(=O)c3ccc(Cl)cc3)n[nH]2)cc1 20924022 YBGSITQFMCHUMI-LSHDLFTRSA-N 487.929 2.244 50 10 JEGE C=CCCCO[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](O)[C@H](O)[C@@H]1O 197680457 MPZDRGKKJAEYSG-JMTTVTNBSA-N 486.681 2.353 50 10 JEGE CCOc1cccc(-c2c(C(=O)NN=C(C)c3ccc(OC)c(OC)c3)nnn2-c2nonc2N)c1 254855431 NHPKCBVOOOQYDI-UHFFFAOYSA-N 492.496 2.469 50 10 JEGE CCOc1ccc([C@H](O)CCC(=O)NN=C[C@H]2C(=O)NC(=S)N(c3ccccc3)C2=O)cc1 1084342545 UYQFDOPHVWJQPL-RBUKOAKNSA-N 468.535 2.065 50 10 JEGE Cc1nonc1C(=O)NN=Cc1cc(I)cc(I)c1O 1084523865 UROGTKFIYPQFMS-UHFFFAOYSA-N 498.018 2.057 50 10 JEGE CC(=O)c1ccccc1C(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 1628561403 CAQGIHCHKKFXHH-UHFFFAOYSA-N 451.504 2.443 50 10 JEGE C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NN(C)C(N)=O)c1 1632039527 QBEBIWRIOGLZSF-UHFFFAOYSA-N 452.920 2.385 50 10 JEGE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NS(=O)(=O)CBr 1884168361 QKXBFCCZJJHQHC-UHFFFAOYSA-N 474.418 2.456 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)N2CCC(Br)CC2)[C@H]1C1CC1 1885864943 HDGWMXJVBYHCRC-HUUCEWRRSA-N 452.415 2.468 50 10 JEGE CCOCCOCCOCCO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1I 2223304953 WNRRORHJBRULGZ-GJZGRUSLSA-N 473.348 2.496 50 10 JEGE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)Nc1ccc(Cl)cc1B(O)O 2256642356 XZIVBCKEIOASLC-KRWDZBQOSA-N 462.739 2.459 50 10 JEGE COC(=O)c1cc(OC)c(OC)cc1N/C=C1/C(=O)N(CCCN2CCCC2=O)C(=O)C(C#N)=C1C 102675981 URLRIEYKEZXIQJ-NBVRZTHBSA-N 496.520 2.008 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC1CC([C@H](F)CBr)C1 2078359940 FXYQGBMWMADTKC-OYQQDDRJSA-N 479.343 2.442 50 10 JEGE CC[C@@H](C)[C@@H](CI)NS(=O)(=O)c1c(Br)cnn1C 2081240278 GAFABMWAVFQFBH-VXNVDRBHSA-N 450.140 2.311 50 10 JEGE CC(C)(C)OC(=O)N1CCN(C[C@@]2(CBr)CC2(F)F)[C@@H]2CS(=O)(=O)C[C@@H]21 2351887082 JDYVXALLMWYPFC-XUJVJEKNSA-N 459.353 2.125 50 10 JEGE CC(=O)O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 616590429 RDLYSPHPIQHWLE-FVVUREQNSA-N 462.568 2.091 50 10 JEGE CC(=NNC(=O)c1scnc1C)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)O)cc1 729640765 PUCJEMIURVQPCB-MRXNPFEDSA-N 450.542 2.233 50 10 JEGE CS(=O)(=O)N(CC(=O)NN=Cc1ccccc1C(=O)O)c1cccc(Br)c1 1084287810 VQBSCGKHQPQXSS-UHFFFAOYSA-N 454.302 2.064 50 10 JEGE C=C(CCN(C)C)C(=O)NNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 1540296094 XPYIOOGLUJTLLT-UHFFFAOYSA-N 458.584 2.085 50 10 JEGE C=CC(=O)N1CCC(C(=O)NNC(=O)c2cc(Br)cn2C)(c2ccccc2)CC1 1628930813 VDWPAMWJPDAXMD-UHFFFAOYSA-N 459.344 2.295 50 10 JEGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C[C@@H]2CCS(=O)(=O)C2)cc1 1866578721 OCVOAIWUYGSMSD-JXFKEZNVSA-N 473.576 2.456 50 10 JEGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C[C@H]2CCS(=O)(=O)C2)cc1 1866578728 OCVOAIWUYGSMSD-UZLBHIALSA-N 473.576 2.456 50 10 JEGE C[C@@]12CN(S(=O)(=O)CCCCN3C(=O)c4ccccc4C3=O)C[C@]1(CBr)C2 1906351565 ZAAUPRUWJPTDRN-RTBURBONSA-N 455.374 2.500 50 10 JEGE CO[C@@H]1C[C@@H](Br)CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 2046665885 WLYKJJVQUYGWMV-ZIAGYGMSSA-N 473.389 2.123 50 10 JEGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cccc(B(O)O)n1 2248414314 IHBWMJFSJNPTGF-QHCPKHFHSA-N 459.311 2.263 50 10 JEGE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)N1CCCc2ccc(B(O)O)cc21 2283937655 XBFSCYBLVAYAIT-NRFANRHFSA-N 468.359 2.146 50 10 JEGE COC[C@@](CNC(=O)OC(C)(C)C)(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2306409294 UADXHCXLMHZUQK-LJQANCHMSA-N 483.653 2.477 50 10 JEGE O=C(CCCBr)NCCS(=O)(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 10070193 GXVWVKGXCPBKDC-UHFFFAOYSA-N 486.354 2.449 50 10 JEGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCc2ccccc2)c(C)c1 14011399 QBBIHXYCMFQVHT-UHFFFAOYSA-N 457.552 2.270 50 10 JEGE CC(C)(C)OC(=O)N1C[C@H](OCC2CC(S(C)(=O)=O)C2)[C@H](I)C1 1905179860 OZDLDCKYPWREIP-TUUUFIMRSA-N 459.346 2.249 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H](CCBr)C1 2000541849 JCMYJVILDRFAGF-UGSOOPFHSA-N 461.353 2.448 50 10 JEGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(Cl)c(B(O)O)n1 2243679228 UUIWGHAPXOYMLU-ZDUSSCGKSA-N 465.702 2.281 50 10 JEGE CN(Cc1ccccc1B(O)O)C(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21 2248887007 IBRGJWMUQGXDGN-UHFFFAOYSA-N 458.323 2.254 50 10 JEGE Cc1cc(NC(=O)C2(COCc3ccccc3)CN(C(=O)OC(C)(C)C)C2)ccc1B(O)O 2268793099 XEHYCUDTISQWNO-UHFFFAOYSA-N 454.332 2.067 50 10 JEGE CC(C)(C)OC(=O)NC[C@H]1CC(F)(F)CN1S(=O)(=O)N1CCC(Br)CC1 2278995578 MOGYBBNWFWEBIP-GFCCVEGCSA-N 462.357 2.325 50 10 JEGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2c(N3CCOCC3)nc3c(C)cccn3c2=O)cc1 2296732265 OQYGYOVVQWEEJL-UHFFFAOYSA-N 450.520 2.486 50 10 JEGE CC(C)(C)OC(=O)N1CCN(C[C@]2(CBr)CC2(F)F)[C@@H]2CS(=O)(=O)C[C@@H]21 2351885396 JDYVXALLMWYPFC-TYNCELHUSA-N 459.353 2.125 50 10 JEGE Cc1ccc(NC(=O)C2(COCc3ccccc3)CN(C(=O)OC(C)(C)C)C2)c(F)c1B(O)O 2381161890 WZVMLUJISPFPIW-UHFFFAOYSA-N 472.322 2.206 50 10 JEGE COc1ccc(OCC(=O)NNC(=S)NC(=O)COc2ccc(C)cc2Br)cc1 13979278 FQQXDOACWBOTEQ-UHFFFAOYSA-N 482.356 2.246 50 10 JEGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1CSc1ccccc1)c1ccc2c(c1)OCO2 254733348 VCAIZMPGGGTSGW-UHFFFAOYSA-N 478.494 2.408 50 10 JEGE COC(=O)c1ccc(C=NNC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(N(C)C)cc2)cc1 1084471160 FTXXXOQIIRJKHU-HXUWFJFHSA-N 451.552 2.482 50 10 JEGE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3c(C)nn(CCCl)c3C)CC2)cc1 1354859498 QBXHHFGSDSZZTD-UHFFFAOYSA-N 452.964 2.088 50 10 JEGE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CN(CCCCCI)CCN2C1=O 2214707760 FWSNJEZUOKHIDD-ZIAGYGMSSA-N 451.349 2.402 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NCC(F)(F)C(F)(F)CBr 2299792223 RYHKGXROALIZFK-UHFFFAOYSA-N 475.258 2.258 50 10 JEGE CC(C)CCOc1ccccc1C(=O)NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 13630247 JJCCAKDRCFKOBV-INIZCTEOSA-N 472.567 2.389 50 10 JEGE Cc1cccc(O[C@H](C)C(=O)NNC(=O)CCc2nc(=O)c3cnn(-c4ccccc4)c3[nH]2)c1C 18103289 LPKZDJOYYHBUBF-QGZVFWFLSA-N 474.521 2.273 50 10 JEGE CCCCOc1ccc(C=NNC(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1 254870140 YLTGFUFXTBICMU-UHFFFAOYSA-N 452.511 2.427 50 10 JEGE COc1ccc(OC)c(/C=C/C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)c1 1860770878 ATIXVWNMWOOUON-JXMROGBWSA-N 468.535 2.215 50 10 JEGE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ncc(B(O)O)s1 2256624875 YSISGHYUGGWBDR-IQMFZBJNSA-N 493.394 2.393 50 10 JEGE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](CNC(=O)N2CCC(Br)CC2)[C@H]1OC 2279391493 NLMXTCWHTVRJOZ-RBSFLKMASA-N 450.374 2.205 50 10 JEGE O=C(NCCS(=O)(=O)CCBr)c1ccc(I)c(Cl)c1 2335772284 BAOZJODTSLCHGQ-UHFFFAOYSA-N 480.549 2.484 50 10 JEGE C[C@@H](Sc1n[nH]c(=O)[nH]c1=O)C(=O)N/N=C/c1ccc(OCCCc2ccccc2)cc1 169890746 POKWJVFAAJGRHT-QKIXXSFTSA-N 453.524 2.101 50 10 JEGE CCOc1cc(C=NNC(=O)C(=O)NCCCOC(C)C)ccc1OCC(=O)NCc1ccccc1 254821292 IBAWMKRFNPYEKW-UHFFFAOYSA-N 498.580 2.162 50 10 JEGE COC(=O)[C@H](I)CNC(=O)c1cccc(F)c1I 721651849 RIRSPZGOGSKDFO-MRVPVSSYSA-N 477.011 2.137 50 10 JEGE N#CC1(O)CCN(C(=O)[C@@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 757397470 FSXSZTYNSAKUJT-OAQYLSRUSA-N 463.490 2.245 50 10 JEGE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)NN=Cc1c(C)nn(CCO)c1C 1084143316 MNUDLWKIACFESO-UHFFFAOYSA-N 482.614 2.433 50 10 JEGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(F)c(N3C(=O)CCC3=O)c2)cc1 1562773504 OIDPNFNBVCSGHO-ZDUSSCGKSA-N 456.430 2.302 50 10 JEGE COc1cc(C2=NNC(=O)CC2)ccc1NNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 1858079653 LFQDTZBZUCOFEC-UHFFFAOYSA-N 485.566 2.241 50 10 JEGE N#CSc1ccc(NC(=O)[C@H](CO)NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)cc1 1866603577 KOVALZYSZRLDAH-FQEVSTJZSA-N 490.497 2.378 50 10 JEGE O=C(NC[C@H]1CCCN(S(=O)(=O)CI)C1)OCc1ccccc1 1881745724 PAHURCNRCLIJSM-CQSZACIVSA-N 452.314 2.347 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H]1CCC[C@@H]1Br 2000545360 RTMACAMUANQUJG-MRAWALMUSA-N 461.353 2.494 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@@]2(C[C@@H](Br)CO2)C1 2081999723 VOIQKHFGCPASHW-AUUYWEPGSA-N 471.373 2.021 50 10 JEGE O=C1CN(S(=O)(=O)c2cc(Cl)c(Br)s2)CCN1CCBr 2171075354 BAQGUFWKCQELOE-UHFFFAOYSA-N 466.604 2.392 50 10 JEGE O=C(CNC(=O)OCC1c2ccccc2-c2ccccc21)Nc1ccc(F)c(F)c1B(O)O 2243666019 XWYOIAXWRZIUOH-UHFFFAOYSA-N 452.222 2.122 50 10 JEGE O=C(/C=C/c1ccccc1Cl)NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 13623423 AYYJTUSESNAUQZ-SXSDINLZSA-N 456.955 2.424 50 10 JEGE COc1ccccc1OCC(=O)NNC(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1 727482532 OZRCTLQVXKFKCX-UHFFFAOYSA-N 454.527 2.185 50 10 JEGE COc1cccc(C(C)=NNC(=O)CSc2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2N)c1 1084089896 ONFPVNHSGOOYAT-UHFFFAOYSA-N 486.470 2.116 50 10 JEGE C#Cc1cccc(NC(=S)NNC(=O)c2cc(S(=O)(=O)N3CCC[C@H](C)C3)cn2C)c1 1176937228 HXPADQXMHSTQCX-HNNXBMFYSA-N 459.597 2.058 50 10 JEGE C[C@@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)/C=C/c4ccc([N+](=O)[O-])s4)c(=O)c23)C1 1860769675 CVQSEPPBSBMNPN-ZXCPCRMDSA-N 473.536 2.413 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC([C@H](F)CBr)C1 2001903852 MCPJKJDRYLPDCV-MRXNPFEDSA-N 461.353 2.448 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@]1(CBr)CCCO1 2073632691 MTZZZJFKONYECP-LJQANCHMSA-N 473.389 2.316 50 10 JEGE O=C(O)c1cc(S(=O)(=O)NC[C@H]2C[C@@H](Br)C2)ccc1I 2196886613 TZGPJIZDDZEVAI-OCAPTIKFSA-N 474.114 2.441 50 10 JEGE CCCOC(=O)CCC(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1Br 13997564 UJZOJSIBPWYUAK-UHFFFAOYSA-N 480.768 2.237 50 10 JEGE Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 102685011 DLBFTSDZQDRVPA-XUDLPTGHSA-N 478.530 2.314 50 10 JEGE CCCN1C(=O)C(=NNC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@@H](C)C4)c2ccccc21 1772760251 IXPYDPLAUTVPTD-CYBMUJFWSA-N 464.551 2.255 50 10 JEGE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1CNS(=O)(=O)N1CCC(Br)CC1 2106300117 BNQGOPPHANATRG-GFCCVEGCSA-N 462.357 2.325 50 10 JEGE C=C1CC(CBr)(NS(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2246873105 WIVDXQIZEMXNRU-KRWDZBQOSA-N 459.337 2.414 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H](Br)[C@@H]2COC[C@H]21 2338849778 LVWSSAWPMVDVME-OKZBNKHCSA-N 485.400 2.267 50 10 JEGE O=C(NN=C1[C@H]2OC[C@@H](O2)[C@@H]2[C@@H](C(=O)c3cccs3)[C@@H]12)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 252623780 OZCNKKYIDMVWOO-NHOYESHESA-N 458.408 2.151 50 10 JEGE CCCCCn1nc(C(=O)NNC(=O)NCCS(=O)(=O)c2ccccc2)c2ccccc2c1=O 918229478 DSRULWOKKWATDH-UHFFFAOYSA-N 485.566 2.005 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCSC[C@@H]1CBr 1936749452 SIGMFZUCHPIYQM-ZDUSSCGKSA-N 461.403 2.205 50 10 JEGE O=S(=O)(c1cnn(CCCBr)c1)N1C[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 2179794923 LZFMYJFIKXEIGD-ROUUACIJSA-N 453.406 2.421 50 10 JEGE Cn1cc(S(=O)(=O)N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)cc1CBr 2179816267 QTAHNIHWILHJKC-RBUKOAKNSA-N 454.390 2.194 50 10 JEGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ncc(B(O)O)s1 2257370576 ASMIPALKUINSTA-NRFANRHFSA-N 493.394 2.393 50 10 JEGE CN(C)S(=O)(=O)C[C@@H](Br)c1c(Br)c(Br)nn1C 2301123399 YXLGNPAVSKRSBM-RXMQYKEDSA-N 453.982 2.273 50 10 JEGE CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)OCC(=O)NNC(=O)Cc1nc(C)cs1)O[C@H](C)C2 730648695 AIPINVRMGGQKJM-KMFMINBZSA-N 473.551 2.210 50 10 JEGE C=CCNC(=S)NNC(=O)[C@H](Cc1cn(Cc2ccccc2)cn1)NC(=O)OC(C)(C)C 1290174123 YHACUHHKNDQJDI-SFHVURJKSA-N 458.588 2.049 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@@H](CBr)OC2(CCC2)C1 2047089970 BIRSFWVZXCTUGE-CQSZACIVSA-N 471.373 2.021 50 10 JEGE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@@H](NS(=O)(=O)N3CCC(Br)CC3)C[C@@H]21 2137369625 RTEDKPOXSJFBPI-PMOUVXMZSA-N 452.415 2.372 50 10 JEGE O=C(CCCNC(=O)OCC1c2ccccc2-c2ccccc21)NCc1ccc(B(O)O)s1 2243926049 DVJJSSAMJLHDOU-UHFFFAOYSA-N 464.352 2.363 50 10 JEGE O=C(NCCC(=O)N1Cc2ccc(B(O)O)cc2C1)OCC1c2ccccc2-c2ccccc21 2248885294 BMBYQJFKQJNJRJ-UHFFFAOYSA-N 456.307 2.137 50 10 JEGE C[C@H](CC(CBr)(CBr)[C@@H]1CCS(=O)(=O)C1)CS(C)(=O)=O 706480864 XKIKWCNZYCGVCB-GHMZBOCLSA-N 454.246 2.268 50 10 JEGE C=C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(NS(=O)(=O)c2ccc(OCC)cc2)cc1 1290392567 ZHJAXHOULHITGA-UXHICEINSA-N 459.524 2.238 50 10 JEGE C=CCC[C@@H](NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)c1ccccc1 1478257068 GNCHVWXTYKWQQC-HXUWFJFHSA-N 458.588 2.351 50 10 JEGE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1CNS(=O)(=O)c1ccc(CBr)cc1 2162600573 IXFCRMSWZOGSSG-OAHLLOKOSA-N 462.410 2.411 50 10 JEGE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)N1CCC(Br)CC1 2163053770 QKKQXSZOFUQUPC-UHFFFAOYSA-N 464.426 2.425 50 10 JEGE CN(Cc1ccc(B(O)O)s1)C(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 2302681415 VXSOAFKIRNJZQG-UHFFFAOYSA-N 476.363 2.458 50 10 JEGE CCOC(=O)CCC(=O)NC(=S)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 12570638 QZZSKSMMZCNKDD-UHFFFAOYSA-N 463.343 2.077 50 10 JEGE COc1ccc(OCC(=O)NNC(=S)NC(=O)COc2ccc(Br)c(C)c2)cc1 13979286 FWYXRTPIQONABM-UHFFFAOYSA-N 482.356 2.246 50 10 JEGE COc1ccc(/C(C)=N/Nc2nc(SCC(=O)NNC(=O)c3ccccc3)n[nH]2)cc1OC 59815091 FOGAWIFMMJIZBE-YDZHTSKRSA-N 469.527 2.211 50 10 JEGE COc1ccccc1C(=O)N/N=C1\C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 105581550 WESLTMVHOUOUIP-QYQHSDTDSA-N 468.469 2.472 50 10 JEGE C#CC[C@@]1(C(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)CCCN1C(=O)OC(C)(C)C 1159213535 SDQLVYFGBKUZSS-NRFANRHFSA-N 450.561 2.173 50 10 JEGE O=C(Oc1ccc([N+](=O)[O-])cc1F)N1CCN(S(=O)(=O)c2ccc3nc(O)oc3c2)CC1 1858627626 LUZAWFQOXFFIDK-UHFFFAOYSA-N 466.403 2.086 50 10 JEGE CC(C)(C)OC(=O)NC[C@@H](CNS(=O)(=O)N1CCC(Br)CC1)C(F)(F)F 2106295931 MYPAMVFQPRANBJ-JTQLQIEISA-N 468.336 2.383 50 10 JEGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1ccc(B(O)O)cc1 2317597742 YJPBYGATZAPSLE-RUZDIDTESA-N 472.350 2.342 50 10 JEGE Cn1cc(Br)c(S(=O)(=O)NCC(F)(F)C(F)(F)CI)n1 2361669893 AWTUTICWNVPMSL-UHFFFAOYSA-N 494.046 2.167 50 10 JEGE COc1c(Br)c(C[C@H]2CC(C(=O)NN=Cc3cccnc3)=NO2)c(OC)c2c1OCO2 15085976 LXUIFHGJHXTQTL-LBPRGKRZSA-N 491.298 2.428 50 10 JEGE CCNC(=S)NCCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 1859008198 JBSWGEFKSZNSRM-UHFFFAOYSA-N 470.504 2.238 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H](CBr)[C@@H](F)C1 2008014325 FSMIRRHEXVMXEA-BBRMVZONSA-N 461.353 2.448 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H]1C[C@H](CBr)CO1 2039815937 JKPSDFZQIYNRIH-ZIAGYGMSSA-N 473.389 2.028 50 10 JEGE O=S(=O)(C[C@@H](Br)c1ccc(I)cc1)N1CCOCC1 2089399550 DGWJJKCOYRYXTC-GFCCVEGCSA-N 460.131 2.389 50 10 JEGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(Cl)c(B(O)O)n1 2243685436 UUIWGHAPXOYMLU-ZDUSSCGKSA-N 465.702 2.281 50 10 JEGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)[C@@H](C)c1nscc1B(O)O 2248398141 QJCGFFZXFJFMPT-GJZGRUSLSA-N 479.367 2.270 50 10 JEGE C[C@H](NC(=O)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)c1cccc(B(O)O)c1 2268680859 XWJPZWLBZFGXBW-UWJYYQICSA-N 456.348 2.044 50 10 JEGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)c1ccccc1[N+](=O)[O-] 12501289 AKNNEVJHYYOTFK-UHFFFAOYSA-N 467.301 2.380 50 10 JEGE COc1ccc(N2CCN(c3ncnc(NNC(=O)c4ccc([N+](=O)[O-])cc4)c3[N+](=O)[O-])CC2)cc1 40611226 JAFVLMPHGPSJMM-UHFFFAOYSA-N 494.468 2.385 50 10 JEGE COc1ccc(C(=O)N/N=C2\C(=O)N(CCN3C(=O)c4ccccc4C3=O)c3ccccc32)cc1OC 59160862 KAIGNEKIZSQIGV-NFFVHWSESA-N 498.495 2.481 50 10 JEGE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNc3ccc(F)c(Cl)c3)cc2)CC1 1557834789 HPFNWDAHFUEPKR-UHFFFAOYSA-N 454.911 2.089 50 10 JEGE C#CC[C@@H](COC)NC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1 1565156357 HZUKVUPVGXLSLV-SFHVURJKSA-N 458.540 2.087 50 10 JEGE COc1cccc(OCC(=O)NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)c1 1860771149 LFQYZCSABHZVSX-UHFFFAOYSA-N 464.503 2.360 50 10 JEGE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)S(=O)(=O)CCOCCCl)C1 1989582667 HMLMJIOWNNSGCA-UHFFFAOYSA-N 462.996 2.056 50 10 JEGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)NCc1sc(Cl)cc1B(O)O 2320683270 DVENHXIVVVMJPF-OAHLLOKOSA-N 482.795 2.198 50 10 JEGE COCCN(CCOC)c1ncnc(NNC(=O)COc2ccc(Cl)cc2Cl)c1[N+](=O)[O-] 40618336 ISKWCEKGSOPJID-UHFFFAOYSA-N 489.316 2.313 50 10 JEGE Cc1nn(-c2ccccc2)c(N2CCCCC2)c1C=NNC(=O)CSc1nc(N)cc(N)n1 1083864667 CUTNTSAOPZJIEH-UHFFFAOYSA-N 465.587 2.368 50 10 JEGE COc1ccc(OCc2ccc(C=NNc3nc(SCC(=O)NNC(=O)C4CCC4)n[nH]3)o2)cc1 1084110724 VEZZUFDNYUYFOP-UHFFFAOYSA-N 499.553 2.471 50 10 JEGE CCc1ccc(OCC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1860770257 ZZELEWDLFUFVQU-AWEZNQCLSA-N 454.552 2.372 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@H](Br)C[C@]2(CCCO2)C1 1924283242 WKEUJTRHDAKEAD-AUUYWEPGSA-N 471.373 2.021 50 10 JEGE Cn1cc(C(=O)NN=CC2=C(N3CCOCC3)C(=Cc3cccc([N+](=O)[O-])c3)CC2)ccc1=O 2053606974 CZMFDMDIWUYSER-UHFFFAOYSA-N 463.494 2.473 50 10 JEGE C[C@H](Br)[C@@H]1CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CCO1 2053851838 VANKKZPZQYAVLG-YOEHRIQHSA-N 473.389 2.267 50 10 JEGE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)C2NS(=O)(=O)N1CCC(Br)CC1 2106297206 DZODNOUMAPQUKP-NNQSOWQGSA-N 452.415 2.326 50 10 JEGE CC(C)(C)OC(=O)N1C[C@H]2CN(S(=O)(=O)N3CCC(Br)CC3)C[C@]2(C)C1 2106772832 IISIDDSTFGHTPT-GUYCJALGSA-N 452.415 2.279 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@]12CC[C@@](CBr)(C1)OC2 2133655607 CPMHVRKBKBBLLX-QYZOEREBSA-N 489.363 2.017 50 10 JEGE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNc3ccc(C)cc3Cl)c2)CC1 1158311772 JOOOKBUAGDDBGD-UHFFFAOYSA-N 450.948 2.258 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@](F)(CBr)C1 1917122186 BLWKRIWLRRBXLL-GOSISDBHSA-N 461.353 2.448 50 10 JEGE CN(CC1(CBr)CC1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000540439 OZRIBXBFSZSLTB-KRWDZBQOSA-N 461.353 2.448 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H](CCBr)C1 2000541844 JCMYJVILDRFAGF-FZKQIMNGSA-N 461.353 2.448 50 10 JEGE CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)C(=O)c2cc(B(O)O)c(Cl)s2)C1 2243386085 UKYXHRVZKHPVOA-UHFFFAOYSA-N 450.753 2.343 50 10 JEGE C[C@H](NC(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(B(O)O)cc1 2248888281 WOIUEPAJQYVQAE-KRWDZBQOSA-N 458.323 2.472 50 10 JEGE Cc1ccc(B(O)O)c(NC(=O)C2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)c1 2284055067 NTIZZSHQOHQVHF-UHFFFAOYSA-N 467.375 2.173 50 10 JEGE Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1C 12502282 OTAXIKFEEZFBLW-UHFFFAOYSA-N 488.482 2.174 50 10 JEGE O=C(NNc1ncnc(NNC(=O)c2cccnc2)c1[N+](=O)[O-])c1ccc(Br)cc1 40657883 XBHKQNNWNHRHBJ-UHFFFAOYSA-N 473.247 2.056 50 10 JEGE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)N/N=C/c1c(C)nn(CCO)c1C 59914320 MNUDLWKIACFESO-DHRITJCHSA-N 482.614 2.433 50 10 JEGE COc1ccc(Br)c(C(=O)NNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)c1 728525858 IFHVEPNAIONZCM-AWEZNQCLSA-N 488.385 2.134 50 10 JEGE COc1ccc(O)c(C=NNc2nc(SCC(=O)NNC(=O)c3ccc(Cl)cc3)n[nH]2)c1 1083944148 RVVFJEKVGLZQFT-UHFFFAOYSA-N 475.918 2.172 50 10 JEGE CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)NNc3ccccc3Cl)ccc2F)CC1 1151606193 JAKIGUJRAXFGOG-UHFFFAOYSA-N 454.911 2.089 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H]2CC(Br)C[C@@H]2C1 2012874568 BSTXXGGDKQXGOR-ZIAGYGMSSA-N 455.374 2.498 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC(F)(F)C[C@H]1CBr 2046023185 QAUKBCCFRFUMAW-MEDUHNTESA-N 483.306 2.445 50 10 JEGE O=S(=O)(C1CC(OCc2ccccc2)C1)N1CCN(CCOCCBr)CC1 2161297752 OAVNWLRGFDFASF-UHFFFAOYSA-N 461.422 2.093 50 10 JEGE CN(C[C@H]1C[C@H](Br)C1)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O 2197731954 FZCDPFWUOJLVGG-MGPQQGTHSA-N 467.426 2.431 50 10 JEGE CN(Cc1sccc1B(O)O)C(=O)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2283986498 RCHSKXGWNWBHQJ-DEOSSOPVSA-N 488.415 2.230 50 10 JEGE CCCS(=O)(=O)N(C)NC(=O)c1cc(Br)ccc1I 2339717776 YDPNIGQKGWRNID-UHFFFAOYSA-N 461.119 2.370 50 10 JEGE CC(C)[C@H]1C[C@H](Oc2ncc(Br)cc2B(O)O)CN1C(=O)OCc1ccccc1 2344602838 KKWFSPHNTFTDGQ-FUHWJXTLSA-N 463.137 2.338 50 10 JEGE CCOc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)Cc2ccc(OC)cc2)cc1 12503612 QDPHFGLPGCBEBO-UHFFFAOYSA-N 458.540 2.077 50 10 JEGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=N)N)CCC2 40824965 UVDVVIPLUKCKFA-WYMPLXKRSA-N 467.313 2.258 50 10 JEGE CCC(=O)NNC(=O)CSc1n[nH]c(NN=Cc2c(C)nn(-c3ccccc3)c2N(CC)CC)n1 1084272481 JDLWKHPNXRFQGJ-UHFFFAOYSA-N 498.617 2.241 50 10 JEGE CN(CC[S@@](C)(=O)=NS(=O)(=O)N1CCC(Br)CC1)C(=O)OC(C)(C)C 2044693163 IGJVMTPFHRXLSG-XMMPIXPASA-N 462.432 2.055 50 10 JEGE COc1ccccc1OCC(=O)NC(=S)NNC(=O)CCC(=O)Nc1ccc(C)cc1C 12571535 HFSIGESKFTXDPP-UHFFFAOYSA-N 458.540 2.132 50 10 JEGE CCCN(CCC)Cc1c(C(=O)NN=Cc2c[nH]c3ccccc23)nnn1-c1nonc1N 253978792 HQWKXTOANKDROA-UHFFFAOYSA-N 450.507 2.100 50 10 JEGE Cc1nc(Cc2ccccc2)sc1C(=O)NNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 1865845093 IEKUXVAFNXXFJV-UHFFFAOYSA-N 458.565 2.367 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@@]2(CCN(S(=O)(=O)N3CCC(Br)CC3)C2)C1 2106775295 WCHBNSODXFOLJD-QGZVFWFLSA-N 452.415 2.423 50 10 JEGE Cc1cc(F)c(B(O)O)cc1C(=O)N(OCc1ccccc1)C1CN(C(=O)OC(C)(C)C)C1 2270453084 CLDKDAKKXJIXSE-UHFFFAOYSA-N 458.295 2.007 50 10 JEGE CC(C)(C)OC(=O)NC[C@]1(Oc2cc(B(O)O)c(Cl)cn2)CCCN(Cc2ccccc2)C1 2277612802 XAZAKUZPKPBNHF-HSZRJFAPSA-N 475.782 2.353 50 10 JEGE COc1cccc(C=CC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1 2325893251 WRTYQABBGSPDNU-AWEZNQCLSA-N 452.536 2.452 50 10 JEGE NNC(=O)c1nc(COc2cc(Br)cc(I)c2)ns1 2338721801 GLPOJQPDPZOBPO-UHFFFAOYSA-N 455.075 2.088 50 10 JEGE NC(=O)Cn1cc(C=NNC(=O)COc2ccc(Br)cc2)c(-c2ccccc2)n1 1084128856 DMVLGPAFCVDHGY-UHFFFAOYSA-N 456.300 2.327 50 10 JEGE CC(=O)c1cccc(OCCCC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)c1 1354233267 AHUAOVWRHCYESR-UHFFFAOYSA-N 452.555 2.408 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCCCCI 1960072573 MEKJZJNWZTZROD-MRXNPFEDSA-N 482.315 2.145 50 10 JEGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1C[C@@H]2C[C@@H](CBr)C[C@@H](C2)C1 2303482157 FLXFDZUYKXGAIM-QKDCVEJESA-N 455.374 2.355 50 10 JEGE CC1CCN(Cc2c(C(=O)N/N=C/c3ccc(C(F)(F)F)cc3)nnn2-c2nonc2N)CC1 3633194 MUWODDVGZQCRRW-KIBLKLHPSA-N 477.451 2.247 50 10 JEGE O=C(NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1cccc(I)c1 100449655 UHGUJJXIFRGUCD-OAHLLOKOSA-N 463.275 2.101 50 10 JEGE Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1NNC(=O)c1ccco1 101571661 YUAPULGNNVGXIF-UHFFFAOYSA-N 452.258 2.238 50 10 JEGE COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(\C)NNC(=O)c1cc(OC)cc(OC)c1 205944396 MCVUWAUCXRCRMG-FYJGNVAPSA-N 470.457 2.317 50 10 JEGE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@H]1CN(S(=O)(=O)N1CCC(Br)CC1)C2 2226531805 LBFDWDUKXRGYEM-IPYPFGDCSA-N 452.415 2.326 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@H](N2CCN(CCOCCI)CC2)C1 2306801775 JKAWQOJGYPHZJU-HNNXBMFYSA-N 453.365 2.065 50 10 JEGE CC(C)(C)OC(=O)NCC1(Oc2ccc(C=O)c(B(O)O)c2)CCN(Cc2ccccc2)CC1 2365050247 KVZCSGXHJPQGLZ-UHFFFAOYSA-N 468.359 2.117 50 10 JEGE CCOc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 12502098 MEGIVOUGHZPRQY-UHFFFAOYSA-N 459.484 2.048 50 10 JEGE O=C(Cc1ccc([N+](=O)[O-])cc1)NNc1ncnc(NNC(=O)c2ccc(Cl)cc2)c1[N+](=O)[O-] 40657808 OTTQKFARVQWJJW-UHFFFAOYSA-N 486.832 2.389 50 10 JEGE O=S1(=O)C[C@@H](Cl)[C@H](NS(=O)(=O)c2c(Cl)cc(Br)cc2Cl)C1 157772410 NVHFPEVUGXXNSM-RKDXNWHRSA-N 457.582 2.439 50 10 JEGE CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(F)cc2)c1C 912663504 HDQHNRPDWKTNMO-SRKIZSPNSA-N 486.569 2.292 50 10 JEGE CC(=O)N1CCN(c2cccc(NC(=O)NNC(=O)c3ccc4c(c3)OCCO4)c2C)C1=O 1310852647 GTWROILFPSEXAE-UHFFFAOYSA-N 453.455 2.021 50 10 JEGE C[C@H]1CCc2c(sc3ncn(CC(=O)NNS(=O)(=O)c4ccccc4Cl)c(=O)c23)C1 1860770681 RKPXALYYZLHLMY-NSHDSACASA-N 466.972 2.246 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@@H]1C[C@H](CBr)[C@H]2C[C@H]21 1906621082 REQFRDMUYJNUFG-BASLNEPJSA-N 455.374 2.402 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NCCC(F)(F)CBr 1986551972 OXIFOCCSQJMNIU-UHFFFAOYSA-N 453.305 2.403 50 10 JEGE CC(C)(C)OC(=O)NCCN(CC(F)(F)F)S(=O)(=O)N1CCC(Br)CC1 2106772152 DCHCGUJMTVGEBY-UHFFFAOYSA-N 468.336 2.480 50 10 JEGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1cnc(B(O)O)s1 2256617168 HLLWSAAGTWADRD-OYHNWAKOSA-N 493.394 2.393 50 10 JEGE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Cl)ccc1B(O)O 2256621923 AKIGAANNJXUKHP-LIRRHRJNSA-N 462.739 2.457 50 10 JEGE C[C@@H](c1cscc1B(O)O)N(C)C(=O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2256671166 OPJDCQHEMPDTLE-KXBFYZLASA-N 462.377 2.057 50 10 JEGE Cc1cc(B(O)O)c(CN(C)C(=O)C[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)s1 2268719136 ZCRCCRYXVMGHFP-GOSISDBHSA-N 476.404 2.195 50 10 JEGE Nc1c(NNC(=O)c2ccc(Br)cc2)ncnc1NNC(=O)c1ccccc1F 40784510 TZRGOJLDLXJIPK-UHFFFAOYSA-N 460.267 2.474 50 10 JEGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\N(C)[C@H]1CCS(=O)(=O)C1 217254103 GUFHSUWAWPICOH-UQTJOTSZSA-N 459.309 2.065 50 10 JEGE O=C(COc1ccc(C=NNC(=O)CC(=O)NCCc2ccccc2)cc1)NCc1ccco1 725396186 JOVSPWWNRDOCOL-UHFFFAOYSA-N 462.506 2.174 50 10 JEGE O=C(NCC1CCN(S(=O)(=O)CI)CC1)OCc1ccccc1 1881745795 PXLRZUNZMRMICP-UHFFFAOYSA-N 452.314 2.347 50 10 JEGE CC(C)(C)OC(=O)N1CCSC[C@@H](NS(=O)(=O)N2CCC(Br)CC2)C1 2044261945 JVGFKBAZIVXVNO-ZDUSSCGKSA-N 458.444 2.033 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NCC[C@@H]1COC[C@H]1Br 2048704896 FKMHFJBDTGNHDL-RHSMWYFYSA-N 473.389 2.172 50 10 JEGE Cc1ccc(B(O)O)c(NC(=O)C2(COCc3ccccc3)CN(C(=O)OC(C)(C)C)C2)c1 2268792466 SQCUMWAGRBCPEL-UHFFFAOYSA-N 454.332 2.067 50 10 JEGE Cn1nc(Br)c(Br)c1C(=O)NCC[C@H]1COC[C@@H]1Br 2338684959 UKOXPNQFDCEIGA-BQBZGAKWSA-N 459.964 2.475 50 10 JEGE CCOCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)CC)cc2)cc1 9821789 DXCXOYAXUCHFRI-UHFFFAOYSA-N 458.540 2.400 50 10 JEGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)c(Br)c1 12501132 CCSFEGCAQXPERR-UHFFFAOYSA-N 467.301 2.380 50 10 JEGE Nn1c(SCCCC(=O)N/N=C/c2ccccc2O)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 58987987 ZCBTUGPGUJGHAL-SRZZPIQSSA-N 486.470 2.204 50 10 JEGE Cc1nc(S(=O)(=O)NC(C)(CBr)CBr)c(Br)n1C 311214204 QTEURLLDLOQLTM-UHFFFAOYSA-N 468.009 2.318 50 10 JEGE CC(C)(C)c1ccc(C(=O)NNC(=O)NCCCCN2CCN(c3ncccn3)CC2)cc1 729233909 ZPCJURKVPDYQFP-UHFFFAOYSA-N 453.591 2.321 50 10 JEGE COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)Oc3ccc([N+](=O)[O-])cc3)CC2)c1 1858627468 DHYUZTWQZRFXKQ-UHFFFAOYSA-N 451.457 2.117 50 10 JEGE COC[C@H](Br)CCNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942087154 FIJCEFLTTNSYPB-CQSZACIVSA-N 461.378 2.172 50 10 JEGE Cc1cc(B(O)O)c(C)cc1NC(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2268711735 ODMVUAQLTAKIBP-LJQANCHMSA-N 456.348 2.422 50 10 JEGE COc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OC)cc1OC 9696137 WBCOKBHASKYDIT-UHFFFAOYSA-N 468.329 2.424 50 10 JEGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 746180329 FKWCOEGWTAYQPK-UHFFFAOYSA-N 473.507 2.395 50 10 JEGE C=CCOc1ccccc1CNC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 1684552755 PYIMQZGCFCTCKC-UHFFFAOYSA-N 458.540 2.180 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC=CC[C@H]1CBr 2007530195 YZINODNZRWBBDL-UGSOOPFHSA-N 459.337 2.366 50 10 JEGE O=S(=O)(C[C@@H](Br)c1sccc1I)N1CCOCC1 2028949061 OIVSJPLBEQRNGS-MRVPVSSYSA-N 466.160 2.451 50 10 JEGE O=C(C=Cc1ccccc1Cl)NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 2314109164 AYYJTUSESNAUQZ-KRWDZBQOSA-N 456.955 2.424 50 10 JEGE COc1cc(B(O)O)ccc1NC(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 2319282571 MFXYOLOQIXDETA-UHFFFAOYSA-N 472.306 2.385 50 10 JEGE COc1ccccc1OCC(=O)NC(=S)NNC(=O)c1ccccc1I 12571441 CWZMTZOLOKZKSA-UHFFFAOYSA-N 485.303 2.014 50 10 JEGE Cc1nn(C(C)C)c(C)c1/C=N/Nc1nc(SCC(=O)NNC(=O)c2ccc(F)cc2)n[nH]1 20924005 KQRZPIXJJXPLOU-LSFURLLWSA-N 473.538 2.337 50 10 JEGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N[C@H](CBr)Cc1ccccc1 707395961 GUCOVPCCNSBELR-HNNXBMFYSA-N 451.342 2.208 50 10 JEGE O=C(NNC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1)c1cccc2cccnc12 728308938 RQCFQVQQSLVKNL-UHFFFAOYSA-N 459.553 2.094 50 10 JEGE O=C(CCSc1ccc(F)cc1)NNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 749160897 GRUDDDONEAEAFP-OAHLLOKOSA-N 457.574 2.370 50 10 JEGE O=C(COc1ccc(C=NNC(=O)C(=O)NCCc2ccccc2)cc1)NC1CCCCC1 1084227978 QADZOKLXARGXKX-UHFFFAOYSA-N 450.539 2.323 50 10 JEGE C[C@@H](NC(=O)NNC(=O)c1ccc(Br)cc1)c1cccc(S(=O)(=O)N(C)C)c1 1325967827 TXFYQZCUFXFUCY-GFCCVEGCSA-N 469.361 2.405 50 10 JEGE C=CC(=O)N1CCC(C(=O)NNc2c(OC)cccc2S(C)(=O)=O)(c2ccccc2)CC1 1466702496 JOKYMWYZDVLJBP-UHFFFAOYSA-N 457.552 2.288 50 10 JEGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CCC2(CCC2)[C@@H](CBr)C1 1946322381 OPTAAZPCTMKWPX-AWEZNQCLSA-N 455.374 2.500 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2C[C@@]2(CBr)C1 2022770948 QFQISAMVXTUHNG-NXOUGTEYSA-N 459.337 2.057 50 10 JEGE CC(C)(C)OC(=O)NC1(CC(=O)Nc2ccc(B(O)O)cc2)CCN(Cc2ccccc2)CC1 2180991565 OJJWMWCASUVCTG-UHFFFAOYSA-N 467.375 2.255 50 10 JEGE CN(Cc1csc(B(O)O)c1)C(=O)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2284016075 WBHPDDUITCXQDJ-XMMPIXPASA-N 488.415 2.230 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1C[C@@H]2C[C@H]1C[C@H]2Br 2310032900 FJBWOTULWAKVOL-WDHXUJDKSA-N 473.364 2.492 50 10 JEGE CCC(=O)NC(=S)NNC(=O)COc1c(C)cc(Br)cc1Br 12502319 PFLQGOJKGIPARA-UHFFFAOYSA-N 453.156 2.331 50 10 JEGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc([N+](=O)[O-])cc1 14655733 LKYHMHHCAPVIQK-UHFFFAOYSA-N 497.327 2.471 50 10 JEGE COc1ccc(CC(=O)NCC(=O)NN=C2C(=O)N(CCc3ccccc3)c3ccccc32)cc1 254488586 MNRCGWBFGXANGD-UHFFFAOYSA-N 470.529 2.464 50 10 JEGE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NN=Cc2ccccc2C(F)(F)F)cc1 725443790 QBAWQEJTOWOGPL-UHFFFAOYSA-N 456.446 2.435 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H]2[C@@H](CBr)[C@@H]2C1 2046030089 VWIUAHYEOSGLFT-GABDYKALSA-N 473.364 2.303 50 10 JEGE CC(C)(C)OC(=O)NC1(CC(=O)N[C@H]2CCC=C2B(O)O)CCN(Cc2ccccc2)CC1 2268649795 KVIWPSCREKWSCB-FQEVSTJZSA-N 457.380 2.153 50 10 JEGE O=Cc1ccc(NCCCONC(=O)OCC2c3ccccc3-c3ccccc32)cc1B(O)O 2301420789 LTVZPYZMRZPIHY-UHFFFAOYSA-N 460.295 2.451 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCCN(CCCCl)CC1 2366450078 HGOFTUFVVJYHNZ-UHFFFAOYSA-N 456.008 2.419 50 10 JEGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2[N+](=O)[O-])c(Br)c1 12501256 MVZBUQRZUDBGRS-UHFFFAOYSA-N 467.301 2.380 50 10 JEGE COc1ccc(OCC(=O)NC(=S)NNC(=O)CCC(=O)Nc2ccc(C)c(C)c2)cc1 13978833 HWBHKDPGMIYPMB-UHFFFAOYSA-N 458.540 2.132 50 10 JEGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)N[C@H](C)CN2CCCCC2)cc1 920853807 HFBUVESYCMQPSG-SQVRNEIYSA-N 464.570 2.332 50 10 JEGE COc1cc(C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc(OC)c1OC 1860770125 USUISHFJHOOJQH-GFCCVEGCSA-N 486.550 2.070 50 10 JEGE CCc1cccc(C)c1N1C[C@H](C(=O)NNC(=O)Cn2cnc3sc(C)c(C)c3c2=O)CC1=O 1865852228 PQRPLIJQWPJNET-QGZVFWFLSA-N 481.578 2.146 50 10 JEGE O=C(OCc1ccccc1)N1CCC[C@@H](NS(=O)(=O)N2CCC(Br)CC2)C1 1999164591 PYIAXJKDPIZGJQ-QGZVFWFLSA-N 460.394 2.481 50 10 JEGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1C[C@H](CBr)C2(CCCC2)C1 2006547058 JXHKQBUEFQFQPT-AWEZNQCLSA-N 455.374 2.500 50 10 JEGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1C[C@@H]2CCCC[C@]2(CBr)C1 2216721493 AVBWJYUSQRCBCP-LIRRHRJNSA-N 455.374 2.500 50 10 JEGE Cc1cc(B(O)O)ccc1C(=O)NCCCONC(=O)OCC1c2ccccc2-c2ccccc21 2255684656 ONHIRWPRXQALHO-UHFFFAOYSA-N 474.322 2.265 50 10 JEGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)Nc1ccc(B(O)O)c(F)c1F 2268698605 CEMVHBBYMKZALC-OAHLLOKOSA-N 464.274 2.083 50 10 JEGE COc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 2296719338 FFMGPSCJXRLRNC-QGZVFWFLSA-N 494.529 2.014 50 10 JEGE C/C(=N/NC(=O)c1cc2ccccc2cc1O)c1ccc(S(=O)(=O)NCCC(=O)O)cc1 59589351 VMJQQALAEIMYOG-OYKKKHCWSA-N 455.492 2.452 50 10 JEGE CCCS(=O)(=O)CCC(CBr)(CBr)[C@H]1CCS(=O)(=O)C1 233257858 CIECDTJHAYMSBE-NSHDSACASA-N 454.246 2.412 50 10 JEGE Cn1cc(C(=O)NNC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)c2ccccc21 730519371 JVQFMSKISKFMMO-SFHVURJKSA-N 454.552 2.181 50 10 JEGE C[C@@H](C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)n1cnc2sc3c(c2c1=O)CCCC3 1865852298 RRYGVBVAHMKGAU-ZDUSSCGKSA-N 477.587 2.350 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2C[C@]2(CBr)C1 2022770321 QFQISAMVXTUHNG-PJSAGSTRSA-N 459.337 2.057 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC(OCCCBr)C1 2085891804 XELMJSOQQABWPV-UHFFFAOYSA-N 473.389 2.269 50 10 JEGE Cc1cc(C(=O)N2CCN(CCBr)C(=O)C2)ccc1I 2207100674 CHZQRCKNJWUVSZ-UHFFFAOYSA-N 451.102 2.279 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H]2CCO[C@@]2(CBr)C1 2231356443 VERJSDPIDRJSCO-QRWLVFNGSA-N 485.400 2.269 50 10 JEGE C[C@@H](NC(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(B(O)O)cc1 2248884046 WOIUEPAJQYVQAE-QGZVFWFLSA-N 458.323 2.472 50 10 JEGE Cc1cc(B(O)O)sc1CNC(=O)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2283990341 BVRUZMZPTWXKLK-DEOSSOPVSA-N 488.415 2.197 50 10 JEGE O=C(C=Cc1cccs1)NC(=S)NNC(=O)Cn1nnc(-c2cccc(Cl)c2Cl)n1 2297563084 NSVIDMFNNSVQLG-UHFFFAOYSA-N 482.378 2.444 50 10 JEGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 13623498 BSWBCZFWUIKDGW-SFHVURJKSA-N 454.552 2.160 50 10 JEGE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(/C#N)C(=O)N[C@H]1CCS(=O)(=O)C1 33409223 IAROLLMCTXKTEU-WBILKINKSA-N 494.529 2.014 50 10 JEGE Nn1c(SCCCC(=O)N/N=C/c2ccco2)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 58988783 UWHVZYHQOXFRRK-VXLYETTFSA-N 460.432 2.091 50 10 JEGE O=C(CNC(=O)c1ccc(F)cc1)NN=C1C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21 254398251 MMHBLUYFWRJPSL-UHFFFAOYSA-N 474.448 2.352 50 10 JEGE CCCN(CCC)Cc1c(C(=O)NN=Cc2ccc(N(CC)CC)cc2)nnn1-c1nonc1N 254555513 WDPVFUAGKKAGIH-UHFFFAOYSA-N 482.593 2.465 50 10 JEGE COc1ccc(C(C)=NNC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2N)c(OC)c1 1084299623 KGQOUAYKDMKMBW-UHFFFAOYSA-N 471.499 2.217 50 10 JEGE C=CCNC(=S)NNC(=O)c1occc1CS(=O)(=O)c1ccc(Br)cc1 1538841346 NLQHXBVKSLLMAT-UHFFFAOYSA-N 458.359 2.311 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H](CCBr)C1 2000541840 JCMYJVILDRFAGF-ACJLOTCBSA-N 461.353 2.448 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCCC(F)(F)CBr 2012620381 QNOYFKUZDDUQRD-HNNXBMFYSA-N 471.295 2.351 50 10 JEGE Cn1nc(Br)c(Br)c1C(=O)NCC[C@H]1COC[C@H]1Br 2338684960 UKOXPNQFDCEIGA-NKWVEPMBSA-N 459.964 2.475 50 10 JEGE CN(C)C[C@@H]1C[C@H](Br)CN1C(=O)c1c(Br)c(Br)nn1C 2364227906 GCHVHUQAOMDWQJ-YUMQZZPRSA-N 473.007 2.485 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(CCCCl)C1CCOCC1 2381007316 GDGGVGJQCXSVTG-HXUWFJFHSA-N 460.955 2.451 50 10 JEGE CC(C)COc1cccc(C(=O)NC(=S)NNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 13623596 RENWEYFRXCECHE-IBGZPJMESA-N 468.579 2.406 50 10 JEGE C[C@@H]1[C@H](OC(=O)CCC(=O)NC(C)(C)CO)O[C@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@H]1[C@@]24OO3 504028232 JQUKZDZVFSIJPC-ZKVMEEPZSA-N 455.548 2.405 50 10 JEGE biogenic CC(=O)Nc1ccc(S(=O)(=O)CCC(=O)NCC(=O)Nc2ccc(SC#N)cc2)cc1 1868138761 OGRMCXKQRUZNDD-UHFFFAOYSA-N 460.537 2.137 50 10 JEGE CC(F)(F)C[C@@H](CBr)NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 1980635503 QNJUCFQXVSXIHT-NSHDSACASA-N 453.305 2.401 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H](OCCCBr)C1 2142044422 AFAIYHNUDUYVCP-KUHUBIRLSA-N 491.379 2.217 50 10 JEGE O=C(NOCCCNC(=O)c1cc(F)c(B(O)O)cc1F)OCC1c2ccccc2-c2ccccc21 2267203914 XACWJPNXVNWRCJ-UHFFFAOYSA-N 496.275 2.235 50 10 JEGE C[C@H](c1cscc1B(O)O)N(C)C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2284060461 NQYYYJBGFYAEFZ-MZNJEOGPSA-N 487.431 2.117 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2CC[C@H](CCl)O[C@@H]2C1 2289349487 SNMOTHQUNDOMHH-HWKAVOKNSA-N 458.939 2.059 50 10 JEGE C[C@@H](Oc1cccc2cccnc12)C(=O)NNC(=S)NC(=O)c1cc2ccccc2oc1=O 3669166 CXXNMQDNXFIVQL-CYBMUJFWSA-N 462.487 2.444 50 10 JEGE COCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)Cc1ccc(OC)cc1 14662962 HLKYBIFMFBPFDR-UHFFFAOYSA-N 496.383 2.361 50 10 JEGE CC(C)C(=O)NNC(=O)CSc1nnc(NN=C(Cc2ccccc2)Cc2ccccc2)n1N 20919285 YUABWZQLYPIHTF-UHFFFAOYSA-N 480.598 2.141 50 10 JEGE Cc1ccc(C=NNC(=O)CCCSc2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2N)o1 1084154030 UCNWDBBXVNJXQC-UHFFFAOYSA-N 474.459 2.399 50 10 JEGE Cc1nn(-c2ccccc2)c(N(C)C)c1C=NNc1nc(S[C@@H](C)C(=O)NNC(=O)C(C)C)n[nH]1 1084532394 XRBPTCNTTHNDSA-HNNXBMFYSA-N 498.617 2.095 50 10 JEGE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNc3cccc4c3CCCC4)cc2)CC1 1632253832 WVYWJWTYBILCET-UHFFFAOYSA-N 456.568 2.175 50 10 JEGE CN(C[C@H]1C[C@H](Br)C1)C(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)OC(C)(C)C 1887823862 STNWSWUKOFDCQS-MGPQQGTHSA-N 453.399 2.043 50 10 JEGE CC1(C)CO[C@H](CBr)CN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2111235777 GDXNNBUCHXYSML-BFUOFWGJSA-N 491.379 2.215 50 10 JEGE CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)C(=O)c2scc(B(O)O)c2Cl)C1 2243413604 JUOSPAPSLIBKTN-UHFFFAOYSA-N 450.753 2.343 50 10 JEGE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2ccc(Cl)cc2B(O)O)CCN(Cc2ccccc2)C1 2268631921 DSYZCEMFGCJPSQ-HSZRJFAPSA-N 473.766 2.128 50 10 JEGE Cc1sc(CNC(=O)C[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)c(B(O)O)c1C 2268707396 SDFRCPPXQPWOND-GOSISDBHSA-N 476.404 2.161 50 10 JEGE COc1ccc(C=NNC(=O)[C@@H](Sc2nnc(O)nc2O)c2ccccc2)cc1[N+](=O)[O-] 2323172443 CWULDGZIKKXULA-HNNXBMFYSA-N 456.440 2.183 50 10 JEGE O=C(NNC(=S)NC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1I 12501174 HUYZFWSNIFOBGJ-UHFFFAOYSA-N 470.248 2.149 50 10 JEGE COc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2)cc1I 12502931 CODUSHUXUFECHP-UHFFFAOYSA-N 455.277 2.249 50 10 JEGE Cc1c(C(=O)NNC(=O)c2ccncc2)oc2c1/C(=N/NS(=O)(=O)c1ccc(F)cc1)CCC2 40826199 QZFGFWBTNBEPOW-KOEQRZSOSA-N 485.497 2.216 50 10 JEGE Cc1cc(Br)c(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@H]2Cl)cc1Br 157780063 SWHFFUSESCTAEM-NXEZZACHSA-N 481.615 2.203 50 10 JEGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 217107510 VFDATQDTKYXQMR-ZPHPHTNESA-N 468.535 2.216 50 10 JEGE Nc1nonc1-n1nnc(C(=O)NN=C2CCc3ccccc32)c1CN1CCCc2ccccc21 254750313 LCDXQDRCHLYOSP-UHFFFAOYSA-N 469.509 2.266 50 10 JEGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccncc2)cc1OC 1083857904 ZUYBGLREGNHYMZ-UHFFFAOYSA-N 482.562 2.483 50 10 JEGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccncc2)Cc2ccccc2)cc1OC 1084514067 KYLNYLSMFLJZEJ-UHFFFAOYSA-N 468.535 2.440 50 10 JEGE COc1cccc(N2C[C@@H](C(=O)N3CCN(C(=O)/C(C#N)=C/c4ccccc4)CC3)CC2=O)c1 1873793372 AAIPDCMRNKHGIF-UKQGIEBLSA-N 458.518 2.326 50 10 JEGE COc1ccc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OC)cc1 9696082 DKDQZILKMKGBOS-UHFFFAOYSA-N 468.329 2.181 50 10 JEGE O=C(NN=Cc1ccc2c(c1)OCO2)c1cccc(C(=O)NN=Cc2ccc3c(c2)OCO3)n1 252627180 ROKIARIAWUNMLZ-UHFFFAOYSA-N 459.418 2.067 50 10 JEGE CC(C)CCNC(=O)/C(C#N)=C\N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc2c(c1)OCO2 254757468 SAVPTONVMVDEKY-CBEUFJFHSA-N 476.580 2.060 50 10 JEGE Cc1cc([N+](=O)[O-])nn1CC(=O)NN=Cc1cc(Br)c(O)c(Br)c1 1084110709 QZDYXYOISHLIBX-UHFFFAOYSA-N 461.070 2.481 50 10 JEGE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)S(=O)(=O)CI)C1 1880567270 JEULOBJOQJASKJ-UHFFFAOYSA-N 496.367 2.193 50 10 JEGE Cc1cc(B(O)O)c(CNC(=O)[C@@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)s1 2283985637 LSLSEWNBEMFFKT-DEOSSOPVSA-N 488.415 2.197 50 10 JEGE C[C@@H](CCl)N1CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CC1 2364212881 BGVRUPHTXCOCDK-KRWDZBQOSA-N 456.008 2.418 50 10 JEGE COc1ccc(C(=O)NC(=S)NNC(=O)COc2cccc(C)c2)cc1Br 12570442 DUFSIKFXCXPMAH-UHFFFAOYSA-N 452.330 2.481 50 10 JEGE COC(=O)c1cc(Nc2ncnc(NNC(=O)c3ccccc3)c2[N+](=O)[O-])cc(C(=O)OC)c1 40594061 XZLQIUMSOZCHMS-UHFFFAOYSA-N 466.410 2.459 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC2(CC1)C[C@H](Cl)CO2 2173127101 HNNSXHGDLYESAF-LIRRHRJNSA-N 458.939 2.203 50 10 JEGE CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(CBr)sc1Br 2179793786 YTANEJFHMXAHCK-SSDOTTSWSA-N 467.226 2.213 50 10 JEGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2c(cccc2B(O)O)C1 2256606775 WDFDGQJNEZBLNV-KRWDZBQOSA-N 470.334 2.178 50 10 JEGE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1cnc(B(O)O)s1 2256617169 HLLWSAAGTWADRD-QRQCRPRQSA-N 493.394 2.393 50 10 JEGE O=C(c1ccc(I)cc1)N1C[C@@H]2OC[C@@H](CBr)O[C@@H]2C1 2279908748 QCSGRRYCVXXEDO-FRRDWIJNSA-N 452.086 2.295 50 10 JEGE Cc1ccc(NC(=O)[C@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)cc1B(O)O 2284015115 JDAXCMGECUWRDW-RUZDIDTESA-N 468.359 2.457 50 10 JEGE Cc1ccc(S(=O)(=O)N2CCN(C=C(C#N)C(=O)Nc3ccc(C(=O)O)cc3)CC2)cc1 2318455012 KUQWKXKLZBJQFM-UHFFFAOYSA-N 454.508 2.046 50 10 JEGE Cn1cc(C(=O)NNC(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)c2ccccc21 10736368 NOWOOTDLMNTNIR-UHFFFAOYSA-N 455.323 2.225 50 10 JEGE COc1ccc(C(=O)NC(=S)NNC(=O)c2cccs2)cc1I 12502961 DPDMZOXYZQMFMD-UHFFFAOYSA-N 461.306 2.311 50 10 JEGE COc1cc(C(=O)NC(=S)NNC(=O)COc2ccccc2Cl)cc(OC)c1OC 12569920 ULMXXKAOEUSXPE-UHFFFAOYSA-N 453.904 2.080 50 10 JEGE O=C(COc1ccc(Cl)cc1)NNC(=S)NC(=O)CCC(=O)OCCc1ccccc1 14011447 OEYUMRNSFVJPFY-UHFFFAOYSA-N 463.943 2.307 50 10 JEGE N#C/C(=C/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(F)cc1)C(=O)NCc1ccco1 228985294 KAUAVNXJOQEGNM-FWMFRNKASA-N 474.539 2.213 50 10 JEGE CCN(CC)c1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCCC[C@H]2C)cc1 254483578 GSLPHYCGZAVLFU-MRXNPFEDSA-N 480.577 2.217 50 10 JEGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccccc2Cl)cc1)NC[C@H]1CCCO1 1083944773 ZGYCHLJVISGAOI-QGZVFWFLSA-N 458.902 2.103 50 10 JEGE C[C@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)c4ccc(F)c([N+](=O)[O-])c4)c(=O)c23)C1 1865852487 YVYGDTUIIKTNLG-JTQLQIEISA-N 459.459 2.091 50 10 JEGE CC(C)(C)OC(=O)NC[C@@H]1CN(S(=O)(=O)CI)C[C@@H]1C(F)(F)F 1983327924 RNAJZLYKJRJVAU-BDAKNGLRSA-N 472.267 2.344 50 10 JEGE O=S(=O)(c1cnn(CCBr)c1)N1CC[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 2179824248 SMZMABUZVFTRDD-MSOLQXFVSA-N 453.406 2.421 50 10 JEGE Cc1cnc(O[C@@]2(CN(C)C(=O)OC(C)(C)C)CCCN(Cc3ccccc3)C2)cc1B(O)O 2286404539 MYBOZHSIZJDRFD-RUZDIDTESA-N 469.391 2.350 50 10 JEGE CCN1CCN(S(=O)(=O)c2ccc(CCNC(=O)C(C#N)=Cc3ccccc3)cc2)CC1 2318733209 YIOXRWAFCHNWFT-UHFFFAOYSA-N 452.580 2.279 50 10 JEGE O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC(=S)NNC(=O)c1ccc(NC(=O)C2CC2)cc1 9229853 INVSNNRVRJRMLT-KGVSQERTSA-N 453.480 2.292 50 10 JEGE Cc1c(C(=O)NNC(=O)c2ccco2)oc2c1/C(=N/NS(=O)(=O)c1ccccc1)CCC2 40815082 YNEMDFATRFPDHJ-PXLXIMEGSA-N 456.480 2.275 50 10 JEGE Nc1nonc1-n1nnc(C(=O)NN=Cc2c[nH]c3ccccc23)c1-c1ccc([N+](=O)[O-])cc1 254703725 LFKPIFZXFVZLTA-UHFFFAOYSA-N 458.398 2.053 50 10 JEGE C#CC[C@]1(C(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)CCCN1C(=O)OC(C)(C)C 1159213536 SDQLVYFGBKUZSS-OAQYLSRUSA-N 450.561 2.173 50 10 JEGE C#Cc1cccc(NC(=S)NNC(=O)[C@@H](CCCC)NC(=O)[C@@H](C)NC(=O)C(C)(C)C)c1 1176937838 WTTMVDPBOBQHQD-CRAIPNDOSA-N 459.616 2.211 50 10 JEGE CC[C@H](NC(=O)NNC(=O)c1ccc(Br)cc1)c1cccc(S(N)(=O)=O)c1 1321596100 KEFIJJKOXLYVDN-HNNXBMFYSA-N 455.334 2.192 50 10 JEGE C#CCOc1cccc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c1 1476150341 OHLMNNGVSYIXSY-UHFFFAOYSA-N 456.524 2.340 50 10 JEGE O=S(=O)(CI)N1CCOCC12CCN(Cc1ccccc1)CC2 1983327945 RRHOOPIWLCGHKC-UHFFFAOYSA-N 450.342 2.076 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](Br)[C@@H](C2CC2)C1 2046030299 XDGKZZNBVDFUEU-MDZRGWNJSA-N 473.364 2.446 50 10 JEGE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)N2CCC(Br)CC2)[C@@H]2CCC[C@H]21 2106298122 JVEDUKGXKSVSLZ-SOUVJXGZSA-N 452.415 2.468 50 10 JEGE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(S(=O)(=O)N3CCC(Br)CC3)C[C@H]21 2106771644 JVDVCFRTEQAMIY-BPLDGKMQSA-N 452.415 2.326 50 10 JEGE CC1(C)CN(Cc2ccccc2)[C@H](CNS(=O)(=O)N2CCC(Br)CC2)CO1 2194647825 AWDPOQJHRCHWCM-GOSISDBHSA-N 460.438 2.360 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H]1CC[C@H](CBr)CO1 2264699687 RPRCFXWZZDVMPA-TYILLQQXSA-N 491.379 2.120 50 10 JEGE Cc1ccc(NC(=O)[C@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)c(B(O)O)c1 2283983903 PTKCFEFFLOFSDK-RUZDIDTESA-N 468.359 2.457 50 10 JEGE CC(C)Oc1ccc(C=NNC(=O)[C@@H](C)Sc2nnc(O)nc2O)cc1Br 2323160626 IVYLDTMYZFDPQQ-SECBINFHSA-N 456.322 2.463 50 10 JEGE COC(=O)[C@H](I)CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 234591821 CFXBKSYGAXKRCX-SECBINFHSA-N 457.018 2.064 50 10 JEGE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1140533932 LYVOFHRTGGFYKB-CVEARBPZSA-N 452.552 2.088 50 10 JEGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(F)cc2CS(C)(=O)=O)cc1 1215760927 BGELSLLDJMIUDH-ZDUSSCGKSA-N 451.476 2.193 50 10 JEGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNS(=O)(=O)c4ccc(F)cc4)c(=O)c23)C1 1860770750 VRYCHESDKHCVHJ-VXGBXAGGSA-N 464.544 2.293 50 10 JEGE CC(C)(C)OC(=O)N1CC2(CCS(=O)(=NS(=O)(=O)CI)CC2)C1 1983330693 RXFGVVWRDHYQEY-UHFFFAOYSA-N 478.374 2.208 50 10 JEGE CO[C@@]1(CBr)CCCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2108232000 UZMLJKULNLTODZ-RBUKOAKNSA-N 491.379 2.217 50 10 JEGE CCOC(=O)COc1c(Br)cc(C=C(C#N)c2nn(CCO)c(N)c2C#N)cc1OC 2295157382 RICWVACUGJHRGP-UHFFFAOYSA-N 490.314 2.106 50 10 JEGE COC[C@]1(C)C[C@@H](NC(=O)OC(C)(C)C)CN1S(=O)(=O)N1CCC(Br)CC1 2364162343 FTQTYOGNXQIKKI-PBHICJAKSA-N 470.430 2.095 50 10 JEGE O=C(NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)C(c1ccccc1)c1ccccc1 13630156 GMGAWJHROFRKMW-LJQANCHMSA-N 476.558 2.482 50 10 JEGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/Nc1ccc(S(=O)(=O)CCO)cc1 103646377 KQJFDSCOGBNSJD-CJLVFECKSA-N 465.531 2.200 50 10 JEGE COCCN(C[C@H]1CCCN1C(=O)OC(C)(C)C)S(=O)(=O)CI 1983327699 PHOGFDJRIQPUDE-GFCCVEGCSA-N 462.350 2.057 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1CBr 2021753460 VFNNYGHYXHCFIL-JQFCIGGWSA-N 455.374 2.498 50 10 JEGE CC(C)(C)OC(=O)NCCOC1CCN(S(=O)(=O)N2CCC(Br)CC2)CC1 2281460601 ZVEXBTDLWSUDPK-UHFFFAOYSA-N 470.430 2.096 50 10 JEGE Cc1ccc(C=NNC(=O)CSc2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2N)cc1 1084430715 GEODHXFQEMBQFU-UHFFFAOYSA-N 456.444 2.026 50 10 JEGE CC(=O)N[C@H](C(=O)NNC(=O)C(F)(F)Oc1ccccc1)c1cccc(Br)c1 1354315992 UHUMKLNECHWFHH-HNNXBMFYSA-N 456.243 2.446 50 10 JEGE C[C@H](C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)n1cnc2sc3c(c2c1=O)CCCC3 1865852297 RRYGVBVAHMKGAU-CYBMUJFWSA-N 477.587 2.350 50 10 JEGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)C1 1872960783 GAGPABMFUORNSR-MSOLQXFVSA-N 455.946 2.465 50 10 JEGE C[C@@](CBr)(NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)C(F)(F)F 1977137957 FPJZQWQIVFSBKF-AWEZNQCLSA-N 457.268 2.308 50 10 JEGE CC(C)(C)OC(=O)NC1[C@H]2CC[C@H]1CN(S(=O)(=O)N1CCC(Br)CC1)C2 2106763647 DDZSQUQBXRCIQU-STQMWFEESA-N 452.415 2.326 50 10 JEGE CC[C@@]1(CBr)COCCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2112705862 OHNWRFIWNRUEKH-RTBURBONSA-N 491.379 2.217 50 10 JEGE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)N2CCC(Br)CC2)C[C@@H]1C(F)(F)F 2163050415 JQERSRNSMPRZHH-NWDGAFQWSA-N 480.347 2.478 50 10 JEGE COc1ccc(NC(=O)C(C#N)=CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1OC 2324069844 KBGRPACFYJZZBA-UHFFFAOYSA-N 456.524 2.056 50 10 JEGE CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)Cc3ccccn3)cc2)cc1 729393353 OBKDGMYFJSSEHL-UHFFFAOYSA-N 452.492 2.089 50 10 JEGE C#CC[C@]1(C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)CCCN1C(=O)OC(C)(C)C 1137974213 BVRUBTFXJFJFNA-JOCHJYFZSA-N 452.552 2.232 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H]1CCC[C@H]1Br 2000545361 RTMACAMUANQUJG-PNPHSEOMSA-N 461.353 2.494 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H](OCCCBr)C1 2142044421 AFAIYHNUDUYVCP-IFXJQAMLSA-N 491.379 2.217 50 10 JEGE CC(C)(C)OC(=O)NC[C@@]1(Oc2cc(B(O)O)c(Cl)cn2)CCCN(Cc2ccccc2)C1 2277612807 XAZAKUZPKPBNHF-QHCPKHFHSA-N 475.782 2.353 50 10 JEGE C[C@@H]1C[C@H]2[C@@H]3C[C@H](Br)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@]1(O)C(=O)CO 2333121697 BFZCSZWVWZIJCC-OGFJZFRXSA-N 471.363 2.269 50 10 JEGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)Nc1cc(F)c(F)cc1B(O)O 2351774084 VSUSVUCOTIPCKV-OAHLLOKOSA-N 464.274 2.083 50 10 JEGE C/C(=N\NC(=O)CSc1nnc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1N)c1ccc(F)cc1 58991174 OUOKAPXVDMTRFW-UFFVCSGVSA-N 474.434 2.247 50 10 JEGE COc1cccc(OCC(=O)Oc2ccc(/C=C(/C#N)C(=O)N3CCOCC3)cc2OC)c1 207228497 BLSBPPSXTMIZSF-PDGQHHTCSA-N 452.463 2.454 50 10 JEGE CC(C)Oc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2-c2ccc([N+](=O)[O-])cc2)cc1 254395121 KNDGGPBKWTXQPS-UHFFFAOYSA-N 477.441 2.359 50 10 JEGE C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cnn[nH]2)c1 729455520 IYPHAUODIZRMKF-UHFFFAOYSA-N 494.455 2.280 50 10 JEGE Cc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc(N2CCNCC2)cc1B(O)O 1887522826 RPOCAACKTYJKET-UHFFFAOYSA-N 471.366 2.123 50 10 JEGE Cc1cccc(C=C2SC(=O)N(CCC(=O)NNC(=O)[C@H]3COc4ccccc4O3)C2=O)c1 2040430927 XZZGUOOGSOXSNE-GOSISDBHSA-N 467.503 2.409 50 10 JEGE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@H]1C[C@@H]2NS(=O)(=O)N1CCC(Br)CC1 2108246199 VZNPGRBMVFRWEP-NEBZKDRISA-N 452.415 2.372 50 10 JEGE C[C@H](CBr)N1CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CC1 2113064387 PITJJQUGBUGBIJ-MRXNPFEDSA-N 486.432 2.184 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCN(CCCBr)CC1 2113614100 VXAHJBMCYSQBFZ-UHFFFAOYSA-N 486.432 2.185 50 10 JEGE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](CCNS(=O)(=O)N2CCC(Br)CC2)O1 2181160568 ZDJUQYSAMOLMPJ-HIFRSBDPSA-N 470.430 2.095 50 10 JEGE Cc1ccc(OCC(=O)NC(=S)NNC(=O)c2cccc([N+](=O)[O-])c2)c(Br)c1 12570948 TVSAKIKNGLZFGP-UHFFFAOYSA-N 467.301 2.380 50 10 JEGE Nn1c(SCC(=O)N/N=C/c2ccc(Cl)cc2)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 58989476 YGWXIHAENHXHMG-DNTJNYDQSA-N 476.862 2.371 50 10 JEGE COc1ccc(NC(=O)/C(C#N)=C\N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1OC 216746255 MSEYMNAWZMTCHV-VLGSPTGOSA-N 470.551 2.365 50 10 JEGE CCOc1cc(C(=O)NNC(=O)c2ccc(Br)cc2)ccc1OCC(=O)OC 1318307449 OKUDFJAMTCHYRY-UHFFFAOYSA-N 451.273 2.474 50 10 JEGE CC(=O)N1CCc2cc(S(=O)(=O)NNC(=O)CSc3ccccc3O)c(Cl)cc21 1668095329 BKBBLITYRDHJES-UHFFFAOYSA-N 455.945 2.056 50 10 JEGE C[C@@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)c4cncc(Br)c4)c(=O)c23)C1 1860769684 CZSVXLFKOLEYQT-SNVBAGLBSA-N 476.356 2.202 50 10 JEGE CN(C[C@H](Br)COCc1ccccc1)S(=O)(=O)c1c(Br)nnn1C 1916362663 SXSGPOFENSSRIS-LBPRGKRZSA-N 482.198 2.178 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](Br)C2(CC2)C1 2000540398 FFJPLACOKJXOEX-PBHICJAKSA-N 459.337 2.200 50 10 JEGE CS[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NS(=O)(=O)N1CCC(Br)CC1 2084777674 CCXBVEUMBFLPEW-QWHCGFSZSA-N 458.444 2.031 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC2(C1)OCCC[C@@H]2Br 2103405128 OFSAXPLFEXTUMH-KRWDZBQOSA-N 485.400 2.411 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCO[C@@H]2C[C@H](CCl)C[C@@H]21 2199783934 VKKCEIFWFCVINQ-FHLIZLRMSA-N 454.976 2.357 50 10 JEGE O=C(OCc1ccccc1)N1CCC(F)(CNc2ncc(Br)cc2B(O)O)CC1 2231672698 RJBTUTLXHSDMJN-UHFFFAOYSA-N 466.116 2.077 50 10 JEGE CC(C)(C)OC(=O)N1CC(N(OCc2ccccc2)C(=O)c2ccc(Cl)c(B(O)O)c2)C1 2255691826 HRJPXALILVVVGB-UHFFFAOYSA-N 460.723 2.213 50 10 JEGE O=C(N/N=C1/[C@H]2[C@H]([C@H]3CO[C@@H]1O3)[C@@H]2C(=O)c1cccs1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 575732968 OZCNKKYIDMVWOO-JAMSPWQOSA-N 458.408 2.151 50 10 JEGE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNc3cnc4ccccc4n3)CC2)cc1 1638221786 OWSGOMQRMCWYCK-UHFFFAOYSA-N 453.524 2.376 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2C[C@]2(CBr)C1 1906349588 QFQISAMVXTUHNG-RZAIGCCYSA-N 459.337 2.057 50 10 JEGE C[C@@H]1C[C@@H](CBr)CN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000532475 JVTCRFHNFGFCDO-VBHSOAQHSA-N 461.353 2.446 50 10 JEGE C[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CN1S(=O)(=O)N1CCC(Br)CC1 2106774927 ZSZTYUBHVYDOII-UMVBOHGHSA-N 452.415 2.278 50 10 JEGE C[C@H](Br)CN1CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CC1 2113860650 GACLBSMILYNDLO-INIZCTEOSA-N 486.432 2.184 50 10 JEGE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)c2ccc(CBr)cc2)[C@H]2COC[C@@H]12 2163051968 YGOQNNSZMZZHNP-XHSDSOJGSA-N 461.378 2.494 50 10 JEGE CC(C)(C)OC(=O)N[C@@H]1CCN(S(=O)(=O)c2ccc(CBr)cc2)C[C@@H]1CO 2178898753 USRYUFGUYKBQOL-GDBMZVCRSA-N 463.394 2.478 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H]2CCO[C@]2(CBr)C1 2231356442 VERJSDPIDRJSCO-MGPUTAFESA-N 485.400 2.269 50 10 JEGE C[C@H](c1cc(B(O)O)cs1)N(C)C(=O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2256666577 UBEHUUMIUZRNAR-QAPCUYQASA-N 462.377 2.057 50 10 JEGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CC[C@H](Br)C[C@H]1C(F)(F)F 2299694975 AUBRMBNVPJHVKW-GWCFXTLKSA-N 469.279 2.403 50 10 JEGE CCCCOC(=O)c1ccccc1NC(=O)C(C#N)=CN(CCN(C)C)[C@@H]1CCS(=O)(=O)C1 2325309671 NDBROLBGXQLVIB-LJQANCHMSA-N 476.599 2.040 50 10 JEGE CC1CCN(Cc2c(C(=O)NN=Cc3ccccc3C(F)(F)F)nnn2-c2nonc2N)CC1 254343084 UBBDCQUPLOLKQC-UHFFFAOYSA-N 477.451 2.247 50 10 JEGE O=C(CSCC[C@@H](NC(=O)OCc1ccccc1)C(=O)O)NNC(=O)c1cccs1 312136610 DFPGKMHWYBJGQP-CQSZACIVSA-N 451.526 2.012 50 10 JEGE COc1cc(OC)cc(C(=O)NNC(=O)C2CCN(C(=O)N(C)Cc3ccccc3)CC2)c1 727298952 SHODOUSYCHDVST-UHFFFAOYSA-N 454.527 2.429 50 10 JEGE CC(=O)N[C@@](C)(C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(S(C)(=O)=O)cc1 1540307138 XTWNZXWRRIRZOH-HSZRJFAPSA-N 459.568 2.200 50 10 JEGE COCCOc1ccc(/C=C(\C#N)C(=O)N[C@H](Cc2ccc(OC(C)=O)cc2)C(=O)O)cc1 1866214138 TUCAWIFDHTVZRE-OOIVEFLKSA-N 452.463 2.356 50 10 JEGE CCN(C[C@](C)(CI)O[C@H]1CCN(S(C)(=O)=O)C1)C(=O)OC(C)(C)C 2257828186 BPWDBSNNMXKNIK-BBRMVZONSA-N 490.404 2.488 50 10 JEGE C=CCN1C(=O)c2ccc(C(=O)NNC(=O)c3nn(CCCCC)c(=O)c4ccccc34)cc2C1=O 14934409 POCJLCUNVPIXGW-UHFFFAOYSA-N 487.516 2.444 50 10 JEGE Cc1ccc(N2C(=O)[C@@H](/C=N/NC(=O)CC[C@H](O)c3ccccc3)C(=O)NC2=S)cc1C 103779784 BJMWVUCVEIUKDT-HGDOOPNHSA-N 452.536 2.283 50 10 JEGE CC1(C)CO[C@@H](CBr)CN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2111235778 GDXNNBUCHXYSML-DJJJIMSYSA-N 491.379 2.215 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H]2OC[C@H](CCl)[C@@H]2C1 2364212829 ARUVFTBCNPNXPM-SNRMKQJTSA-N 454.976 2.358 50 10 JEGE Cn1cc(C(=O)NNC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)c2ccccc21 15092931 SRFASTKMAMYYCA-UHFFFAOYSA-N 458.515 2.179 50 10 JEGE N#C/C(=C/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1)C(=O)NCc1ccccc1 102733106 TYUSPNWGILKUNA-ZHMWHSITSA-N 466.588 2.481 50 10 JEGE Cc1cc(Br)c(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@H]2Cl)cc1Br 157780212 SWHFFUSESCTAEM-ZJUUUORDSA-N 481.615 2.203 50 10 JEGE COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccccc1[N+](=O)[O-] 207215675 VEGPVOPVGSROGS-ATVHPVEESA-N 467.434 2.354 50 10 JEGE Cc1ccc(C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1[N+](=O)[O-] 1865852281 RHICERCETAYFIX-LLVKDONJSA-N 455.496 2.261 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@H](Br)CBr 1957024234 BKFWBQDFTKPYFL-LLVKDONJSA-N 482.194 2.141 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCC2(CC1)C[C@H](Br)CO2 2052929994 PPOHIZIOXKKIDL-AWEZNQCLSA-N 471.373 2.021 50 10 JEGE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)N2CCC(Br)CC2)C[C@H]1C(F)F 2106776144 FDMRGWASVZMMOO-VXGBXAGGSA-N 462.357 2.181 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H]2[C@H](CBr)CO[C@H]2C1 2121588680 SGILMGCDZGFQLT-OLMNPRSZSA-N 485.400 2.124 50 10 JEGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CC[C@@H]2[C@@H](Br)CCC[C@H]2C1 2213405494 NKAZVQBKIGGMMA-ZQIUZPCESA-N 455.374 2.498 50 10 JEGE O=S(=O)(c1cncc(CBr)c1)N1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2283089211 BTYHCUDVEDFXOI-MOPGFXCFSA-N 452.374 2.250 50 10 JEGE COc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(F)cc2)cc1I 12500981 MRMGIUAIOFTBRZ-UHFFFAOYSA-N 473.267 2.388 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC(C)(C)OCCBr 703966081 XHWCCNOPPOZKHW-UHFFFAOYSA-N 475.405 2.418 50 10 JEGE CC(=NNc1nc(SCC(=O)NNC(=O)C(F)(F)F)n[nH]1)c1ccc(Br)cc1 1084137328 WNINBHJAEQEIIR-UHFFFAOYSA-N 480.270 2.205 50 10 JEGE COC(=O)c1cccc(C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1 1865852350 UARIQKTZTLMSOD-QWHCGFSZSA-N 468.535 2.392 50 10 JEGE COc1ccc(N2C[C@H](C(=O)N3CCN(C(=O)C(C#N)=Cc4ccccc4)CC3)CC2=O)cc1 2085377196 YJCCJBSIGKVKSR-OAQYLSRUSA-N 458.518 2.326 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCC2(CC1)C[C@H](Br)CO2 2116511716 WCERQNDLNCVDKD-HNNXBMFYSA-N 485.400 2.411 50 10 JEGE Cn1cc(S(=O)(=O)N[C@H](CNC(=O)OCc2ccccc2)C(F)(F)F)c(CCl)n1 2123415255 CQJLJMPITQGIDC-CQSZACIVSA-N 454.858 2.295 50 10 JEGE O=C(c1ccc(I)c(O)c1)N1C[C@@H]2[C@H](CBr)CO[C@H]2C1 2178081072 BPFSQPHBOJORRH-BREBYQMCSA-N 452.086 2.479 50 10 JEGE Cc1cc(B(O)O)ccc1NC(=O)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2284014732 DKMXGYMLJUMHNF-RUZDIDTESA-N 468.359 2.457 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCO[C@@H](CBr)C1 2316816624 BRKDMIRVQHHPOD-HNNXBMFYSA-N 473.389 2.269 50 10 JEGE N#Cc1ccccc1OCC(=O)N/N=C1/C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 59147278 MXOITBGMXLLZHR-BGABXYSRSA-N 493.479 2.100 50 10 JEGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2c(N3CCOCC3)nc3c(C)cccn3c2=O)cc1 102863768 OQYGYOVVQWEEJL-RGEXLXHISA-N 450.520 2.486 50 10 JEGE COc1ccc(S(=O)(=O)NNC(=O)CCOc2ccccc2)cc1NC(=O)c1ccccn1 728506153 BXCZORRRWLVVPH-UHFFFAOYSA-N 470.507 2.121 50 10 JEGE CC(C)(CNS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O)OCCBr 1942095696 UXJQQRMWDGFBOM-UHFFFAOYSA-N 461.378 2.172 50 10 JEGE CC(C)(C)OC(=O)N1CC2(C[C@@H](O)CN2S(=O)(=O)c2ccc(CBr)cc2)C1 2186609266 ZLZCGGZJDNEGMB-CQSZACIVSA-N 461.378 2.326 50 10 JEGE O=S(=O)(CC1(CBr)CC1)N1CC[C@H](N2CCN(Cc3ccccc3)CC2)C1 2290035634 YXBVAMMYXBOGEY-IBGZPJMESA-N 456.450 2.383 50 10 JEGE COc1ccc(NC(=O)[C@@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1B(O)O 2301526787 NAMMVNZJINQQDR-OAHLLOKOSA-N 460.295 2.241 50 10 JEGE CCOCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1 9821994 SYQYLKIXTZKRIB-UHFFFAOYSA-N 470.551 2.400 50 10 JEGE CCOc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 12501120 LCIKVQHUSAKGNW-UHFFFAOYSA-N 459.484 2.048 50 10 JEGE O=C(CCN1C(=O)c2ccc(Br)cc2C1=O)NNC(=O)c1c[nH]c2ccccc12 17523874 USYKKVGSGCZVMA-UHFFFAOYSA-N 455.268 2.378 50 10 JEGE CSCC[C@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)NNC(=O)NC(C)C 745146255 FAAOVPPMXZHCDL-LBPRGKRZSA-N 490.957 2.498 50 10 JEGE O=C(COc1ccc(C=NNC(=O)C(=O)NC[C@H]2CCCO2)cc1)Nc1cccc(Cl)c1 1083971920 CQZUCJPQPWEHNK-LJQANCHMSA-N 458.902 2.103 50 10 JEGE C[C@H](Sc1n[nH]c(NN=Cc2cc(Br)ccc2O)n1)C(=O)NNC(=O)C1CCC1 1084556624 CKUGLAWQRCKELO-VIFPVBQESA-N 482.364 2.147 50 10 JEGE O=C(NNC(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O)c1ccc(Br)cc1 1251693332 CVUAROVJYVRXTG-HNNXBMFYSA-N 460.284 2.034 50 10 JEGE C[C@H](NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O)c1nnc(CCl)s1 1877554300 MJZITLUPDOWFBN-DYZYQPBXSA-N 460.940 2.282 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2C[C@H]1[C@H]2CBr 2024034854 LPZVPRNUROLUEA-WHTWZSQMSA-N 459.337 2.056 50 10 JEGE CC(C)(C)OC(=O)N[C@H]1CN(S(=O)(=O)N2CCC(Br)CC2)CC12CCC2 2106772904 PLWISACKIMALQZ-AWEZNQCLSA-N 452.415 2.470 50 10 JEGE CC1(C)CO[C@@H](CBr)CN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2111235779 GDXNNBUCHXYSML-ORAYPTAESA-N 491.379 2.215 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCOC[C@](C)(CBr)C1 2135095814 SAJRLYILPQMTOG-HXUWFJFHSA-N 487.416 2.372 50 10 JEGE O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1Br)c1ccc(Cl)c(I)c1 2268356665 HIXVZMUJJKTKDF-OIBJUYFYSA-N 478.533 2.235 50 10 JEGE Cc1cc(CNC(=O)[C@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)sc1B(O)O 2283990409 DEWZSDNUALFZFU-XMMPIXPASA-N 488.415 2.197 50 10 JEGE CCCS(=O)(=O)N(C)NC(=O)c1ccc(I)c(Br)c1 2339715734 JLWNWDOYHKBUSH-UHFFFAOYSA-N 461.119 2.370 50 10 JEGE NNC(=O)c1cn(CCOc2c(Br)cc(Br)cc2Br)nn1 110555207 KIKFYLHTMBQUTP-UHFFFAOYSA-N 483.946 2.248 50 10 JEGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)NN=Cc1ccc(O)c(OC)c1 254817966 DPRUEVRZXVYGBN-UHFFFAOYSA-N 478.538 2.214 50 10 JEGE COC(=O)[C@@H](CCNS(=O)(=O)c1ccc(CBr)cc1)NC(=O)OC(C)(C)C 1260514021 SUACEMYMVMKMBE-CQSZACIVSA-N 465.366 2.316 50 10 JEGE CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1CN(S(=O)(=O)N1CCC(Br)CC1)C2 1893721114 YJSLWDYJWIESIW-CXAGYDPISA-N 452.415 2.470 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H]2[C@H](CBr)[C@H]2C1 2046030090 VWIUAHYEOSGLFT-OYWVLEMYSA-N 473.364 2.303 50 10 JEGE O=S(=O)(c1cnn(CCBr)c1)N1CC[C@H]2CN(Cc3ccccc3)C[C@H]2C1 2179824250 SMZMABUZVFTRDD-ROUUACIJSA-N 453.406 2.421 50 10 JEGE O=C(NCCNC(=O)c1cccc(Cl)c1B(O)O)OCC1c2ccccc2-c2ccccc21 2243508926 JAGJCRBCZZGOIT-UHFFFAOYSA-N 464.714 2.288 50 10 JEGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(B(O)O)c1)Cc1ccccc1 2255754593 BVQFPEIHACJAAG-UHFFFAOYSA-N 472.803 2.343 50 10 JEGE Cc1ccc(NC(=O)C[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)c(F)c1B(O)O 2352967022 JIMVMVSQWMZAEY-QGZVFWFLSA-N 460.311 2.253 50 10 JEGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccccn2)cc1OC 725410544 KIZQNTAODFOVDN-UHFFFAOYSA-N 482.562 2.483 50 10 JEGE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1140533938 LYVOFHRTGGFYKB-JKSUJKDBSA-N 452.552 2.088 50 10 JEGE C[C@H](NC(=O)[C@@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(B(O)O)cc1 2248420559 WLEXJNBUJZEUCM-DLBZAZTESA-N 458.323 2.471 50 10 JEGE COCCN(C[C@H](C)Br)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2259757984 QAUHGHNNCARNNK-UGSOOPFHSA-N 479.368 2.072 50 10 JEGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1c(F)cccc1B(O)O 2260954664 DLUFJLKWJDEBMU-MRXNPFEDSA-N 476.313 2.091 50 10 JEGE CN(C[C@@]1(Oc2cc(B(O)O)c(Cl)cn2)CCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C 2277619363 XWUSYLMGPCZABP-QHCPKHFHSA-N 475.782 2.305 50 10 JEGE N#CC(=Cc1c(Oc2ccccc2Cl)nc2ccccn2c1=O)C(=O)N[C@H]1CCS(=O)(=O)C1 2296720247 DUJFZRBFSKQROV-HNNXBMFYSA-N 484.921 2.350 50 10 JEGE CC(C)COc1ccccc1C(=O)NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 13623509 ALSQVPVBPBPFAR-SFHVURJKSA-N 468.579 2.406 50 10 JEGE CCN(CC)c1ccc(C=NNC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2N)c(O)c1 1084013917 XEVHGSYSCBASEI-UHFFFAOYSA-N 484.542 2.361 50 10 JEGE CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NNc3nccnc3C3CCC3)CC2)c1 1140325139 HPGVCXGRLKQHSG-UHFFFAOYSA-N 457.556 2.491 50 10 JEGE Cc1cccc(N2C(=O)N[C@H](CCC(=O)NNC(=O)c3ccc(Br)cc3)C2=O)c1 1322565569 ILQAIKHEZAJDRD-MRXNPFEDSA-N 459.300 2.424 50 10 JEGE CCOc1ccc(CC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1860770041 QGVWKJXKLMFITR-AWEZNQCLSA-N 454.552 2.372 50 10 JEGE O=C(NCC(=O)N1CCCc2ccc(B(O)O)cc21)OCC1c2ccccc2-c2ccccc21 2248419952 KZUQYFDRGKPUNH-UHFFFAOYSA-N 456.307 2.184 50 10 JEGE N#CC(=Cc1c(N2CCN(c3ccccc3)CC2)nc2ccccn2c1=O)C(=O)NC[C@@H]1CCCO1 2296846625 HFHNPYZKVIHTBC-QFIPXVFZSA-N 484.560 2.223 50 10 JEGE C[C@@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)C=Cc4ccc([N+](=O)[O-])cc4)c(=O)c23)C1 2325893232 RSOSLEOAUMEXFW-CYBMUJFWSA-N 467.507 2.352 50 10 JEGE CC(C)(C)OC(=O)N1C[C@@H](CNS(=O)(=O)N2CCC(Br)CC2)C2(CC2)C1 2336338334 NKKYRXHCWWOMOR-CYBMUJFWSA-N 452.415 2.327 50 10 JEGE CC(C)(C)C(=O)NNC(=O)CSc1n[nH]c(N/N=C/c2ccc(Br)cc2)n1 20833753 KDVPYPJYNAWPLP-QGMBQPNBSA-N 454.354 2.299 50 10 JEGE CCOCCCNC(=O)/C(C#N)=C\c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1 33382950 LRFVNFFBNTZEHH-MNDPQUGUSA-N 473.551 2.417 50 10 JEGE COc1ccc(N2C(=O)c3ccc(C(=O)NNC(=O)c4ccc([N+](=O)[O-])cc4)cc3C2=O)cc1 59487261 URXWMSQJEPGHJB-UHFFFAOYSA-N 460.402 2.479 50 10 JEGE C#Cc1cccc(NC(=S)NNC(=O)[C@H](CCSC)NC(=O)c2ccc([N+](=O)[O-])o2)c1 727498655 OUSTWBSJKHNKBW-AWEZNQCLSA-N 461.525 2.038 50 10 JEGE CC(=O)NNC(=O)[C@@H](C)Sc1n[nH]c(NN=Cc2ccc(OCc3ccccc3)cc2)n1 1083996738 GICXDUVMLXRBCG-CQSZACIVSA-N 453.528 2.478 50 10 JEGE CCc1cc2c(=O)n(CC(=O)NNS(=O)(=O)c3ccc(Cl)c(Cl)c3)cnc2s1 1860770313 CEVQDJDPFPVNGG-UHFFFAOYSA-N 461.352 2.337 50 10 JEGE Cc1ccc(S(=O)(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1C 1860770591 OQSFTVKKYMRHBU-LBPRGKRZSA-N 460.581 2.209 50 10 JEGE CC(C)(C)OC(=O)N[C@H]1CCN(S(=O)(=O)CI)CCC1(F)F 1910109314 WIATUOUCJUSHDO-VIFPVBQESA-N 454.277 2.333 50 10 JEGE CN(C[C@H](Br)C1CC1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000531745 DPBNXAPDOQGWES-MAUKXSAKSA-N 461.353 2.446 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)c2ccc(CBr)cc2)[C@@H](CO)C1 2172901557 WJPBFRBJEZBDMD-ZBFHGGJFSA-N 463.394 2.478 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCN2C[C@@H](Cl)C[C@H]2C1 2364209809 WPRPHCUAUGVOAX-IRXDYDNUSA-N 453.992 2.170 50 10 JEGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccc([N+](=O)[O-])cc1 41014165 XDVOGHKNYGXJQJ-SFQUDFHCSA-N 467.434 2.354 50 10 JEGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NN=Cc3ccccc3C(F)(F)F)CC2)cc1 254565451 DMPAEZMXJTZQGK-UHFFFAOYSA-N 468.501 2.470 50 10 JEGE O=C(Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1)NN=Cc1ccc(O)cc1 1083982126 LGJXVLZVHISAJI-UHFFFAOYSA-N 471.411 2.005 50 10 JEGE C=CCNC(=S)NNC(=O)Cc1ccc(I)c(Br)c1 1538841385 PNSATCFUTZQXLY-UHFFFAOYSA-N 454.131 2.278 50 10 JEGE CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NNc2ncc(Br)cc2C)cc1 1570550005 LSNOSBPLUJGYDE-UHFFFAOYSA-N 455.334 2.167 50 10 JEGE C#CCCOc1ccc(C(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)cc1 1587989572 FSUPZUABHQWKTD-UHFFFAOYSA-N 454.958 2.321 50 10 JEGE O=C(NNC(=O)C1CCN(S(=O)(=O)c2ccc(OC3CCCC3)cc2)CC1)c1cccnc1 1858002219 RTRKCZFOKCAAII-UHFFFAOYSA-N 472.567 2.265 50 10 JEGE COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)Oc3ccc([N+](=O)[O-])cc3F)CC2)c1 1858627824 QROJPXUYZNQSAD-UHFFFAOYSA-N 469.447 2.256 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCS[C@@H](CBr)C1 2000540025 CSDIHAODUCAKOP-SJCJKPOMSA-N 479.393 2.153 50 10 JEGE O=C(c1cc(I)ccc1O)N1C[C@@H]2OC[C@H](CBr)[C@@H]2C1 2178083563 SNXUWYNDDJHSDF-QWRKXWFKSA-N 452.086 2.479 50 10 JEGE COC(=O)c1ccc(C(=O)NNC(=O)c2ccc(OC)c(I)c2)cc1 10454749 REAUVKTVOJUTGZ-UHFFFAOYSA-N 454.220 2.161 50 10 JEGE O=C(CSc1n[nH]c(N/N=C/c2cccc([N+](=O)[O-])c2)n1)NNC(=O)c1ccc(Cl)cc1 20923164 PJUKXFRQPACVFL-AWQFTUOYSA-N 474.890 2.366 50 10 JEGE CC(=O)N(C[C@@H](C)N(C(C)=O)C(C)=O)C[C@@H](Cc1ccc(N=C=S)cc1)N(C(C)=O)C(C)=O 33753523 XKWMWKSTOBNCPW-IQMFZBJNSA-N 474.583 2.359 50 10 JEGE CCO[C@@H]1CCCN(C(=O)/C(C#N)=C\c2cn(CCC(N)=O)nc2-c2ccc(OC)cc2)C1 920850438 FBLHEWZJFUCVGS-USUABIMMSA-N 451.527 2.369 50 10 JEGE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NN=c3cc[nH]c4ccccc34)CC2)cc1 1184050169 GDCHABRSOBHONH-UHFFFAOYSA-N 452.536 2.403 50 10 JEGE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 1444420064 WZBFRMHIINYYDO-INIZCTEOSA-N 452.552 2.088 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCS[C@H](CBr)C1 2000540024 CSDIHAODUCAKOP-PXAZEXFGSA-N 479.393 2.153 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](Br)C[C@@H](F)C1 2213908291 SXRKEXPNYZDSLQ-JKDFXYPNSA-N 465.316 2.148 50 10 JEGE C[C@@H](NC(=O)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1)c1cc(B(O)O)cs1 2283991959 WDMUJRINZBUBTP-MZNJEOGPSA-N 488.415 2.449 50 10 JEGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)COc2ccccc2)c(Br)c1 12502177 QPXUZUDUYCUNDI-UHFFFAOYSA-N 452.330 2.237 50 10 JEGE COCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccccc1OC 14662594 ZLNXPWRFPNLHEM-UHFFFAOYSA-N 453.289 2.323 50 10 JEGE CCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2OC(C)C)cc1 14664805 XYFQTQNUDTXYSA-UHFFFAOYSA-N 459.524 2.365 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCS[C@@H](CBr)C1 1936750014 VZTHNHDMKCKCMR-ZDUSSCGKSA-N 461.403 2.205 50 10 JEGE O=C(NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1)c1ccc(B(O)O)cc1Cl 2228765652 LPHONNOEKQZTSY-UHFFFAOYSA-N 464.758 2.221 50 10 JEGE CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NNC(=O)c1cn(C)c2ccccc12 10737040 GKAKXYUEFKSKLY-IBGZPJMESA-N 474.608 2.348 50 10 JEGE C#Cc1cccc(NC(=S)NNC(=O)[C@H](CCCC)NC(=O)[C@H](C)NC(=O)C(C)(C)C)c1 1176937841 WTTMVDPBOBQHQD-YJBOKZPZSA-N 459.616 2.211 50 10 JEGE CCOc1ccc(CC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1860770042 QGVWKJXKLMFITR-CQSZACIVSA-N 454.552 2.372 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCSC[C@H]1CBr 1936749451 SIGMFZUCHPIYQM-CYBMUJFWSA-N 461.403 2.205 50 10 JEGE Cc1ccc(NC(=O)[C@@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)c(B(O)O)c1 2283983904 PTKCFEFFLOFSDK-VWLOTQADSA-N 468.359 2.457 50 10 JEGE N#CC(=Cc1c(Oc2ccccc2Cl)nc2ccccn2c1=O)C(=O)N[C@@H]1CCS(=O)(=O)C1 2296720248 DUJFZRBFSKQROV-OAHLLOKOSA-N 484.921 2.350 50 10 JEGE O=C(NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1cccc(I)c1 100449657 UHGUJJXIFRGUCD-HNNXBMFYSA-N 463.275 2.101 50 10 JEGE C[C@](CBr)(NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O)C(F)F 1977138547 KVNLTHNYHGRHFL-MRXNPFEDSA-N 453.305 2.401 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC([C@H](F)CBr)C1 2001903291 KWUHQBMBBFYARB-OAHLLOKOSA-N 461.353 2.303 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@]1(CBr)CCCOC1 2108227707 JTIKTRGAWNETRD-RBUKOAKNSA-N 491.379 2.122 50 10 JEGE CO[C@H]1CN(S(=O)(=O)N2CCC(Br)CC2)[C@@](C)(CNC(=O)OC(C)(C)C)C1 2163049665 BJMSXAJZKMDKLV-RHSMWYFYSA-N 470.430 2.095 50 10 JEGE Cc1cc(S(=O)(=O)NCCCN(Cc2ccccc2)Cc2ccccc2)sc1B(O)O 2247883150 ZZBHCYVZSVBMEK-UHFFFAOYSA-N 458.414 2.107 50 10 JEGE CN(C[C@@H](COCc1ccccc1)Oc1cc(B(O)O)c(Cl)cn1)C(=O)OC(C)(C)C 2252680595 LHUJRWGCPXIJKI-INIZCTEOSA-N 450.728 2.246 50 10 JEGE C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1)c1cscc1B(O)O 2256681804 QCVRFBYYHFUDDC-QMTMVMCOSA-N 462.377 2.104 50 10 JEGE CCn1ncc(I)c1NS(=O)(=O)N1CCC(Br)CC1 2353683699 UTDNDAQZYJJBLR-UHFFFAOYSA-N 463.139 2.024 50 10 JEGE COc1ccc(C(=O)NNC(=S)NC(=O)Cc2ccccc2C)cc1I 14563255 PCABYUJAXGQPMM-UHFFFAOYSA-N 483.331 2.486 50 10 JEGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C)cc2)cc1Br 14662118 UWULMEBKWFFMQA-UHFFFAOYSA-N 496.383 2.497 50 10 JEGE O=C(NNc1ncnc(N2CCC(C(=O)O)CC2)c1[N+](=O)[O-])c1ccc(Br)cc1 40657930 STBQVDLLGNQJRP-UHFFFAOYSA-N 465.264 2.205 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCS[C@@H](CCBr)C1 719991686 GJOPUKCLDMASKX-ZDUSSCGKSA-N 461.403 2.205 50 10 JEGE CCOC(=O)C1=c2sc(=Cc3ccc(F)cc3)c(=O)n2C(N)=C(C#N)[C@H]1c1ccc(F)cc1 254715329 QTXDBPVWGLGEPR-LJQANCHMSA-N 465.481 2.179 50 10 JEGE C[C@H]1CCCCN1Cc1c(C(=O)NN=Cc2ccc(C(F)(F)F)cc2)nnn1-c1nonc1N 254872017 MJUOMQRFPKIQCP-LBPRGKRZSA-N 477.451 2.390 50 10 JEGE CC(=O)O[C@@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 616590428 RDLYSPHPIQHWLE-BRIYLRKRSA-N 462.568 2.091 50 10 JEGE COC[C@@](C)(CBr)NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 716862602 TWAXSJCSSRWUAE-GOSISDBHSA-N 461.378 2.028 50 10 JEGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1C(=NNC(=O)c1ccccn1)CCC2 1772747659 RWVPIBSGNSGBQK-UHFFFAOYSA-N 476.449 2.436 50 10 JEGE O=C(COC(=O)C=Cc1ccccc1[N+](=O)[O-])NNC(=O)COc1ccc(Br)cc1 2053516009 UCYYFNWMLXNHOX-UHFFFAOYSA-N 478.255 2.140 50 10 JEGE Cc1cc(B(O)O)c(C(=O)NCCN(OCc2ccccc2)C(=O)OC(C)(C)C)cc1Cl 2255728492 GYYXLWRRGAYDJO-UHFFFAOYSA-N 462.739 2.427 50 10 JEGE Cc1c(NC(=O)CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)ccc(B(O)O)c1Cl 2268601895 DIOTWAMQLJNQNO-UHFFFAOYSA-N 475.782 2.294 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@H]1COC[C@H]1Br 2316825002 AXLAIKWIDGPRMB-WMLDXEAASA-N 473.389 2.172 50 10 JEGE Nc1cc(C(=O)N/N=C\c2ccccc2/C=N/NC(=O)c2cc(N)cc([N+](=O)[O-])c2)cc([N+](=O)[O-])c1 15774571 IXIVFOMKAIIHDR-UIXGLJBASA-N 490.436 2.195 50 10 JEGE COc1ccc2c(c1)/C(=N\NC(=O)CCCNC(=O)c1ccccc1Br)C(=O)N2 38249363 GTSLMPKSCIIRSP-UHFFFAOYSA-N 459.300 2.440 50 10 JEGE CCN(CC)C(=O)CN1C(=O)/C(=N\NC(=O)CSCC(=O)Nc2ccccc2)c2ccccc21 59148398 SNGIHTYWXJSGHL-VYIQYICTSA-N 481.578 2.094 50 10 JEGE COc1ccc(C(C)=NNC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2N)cc1OC 1083881376 MEGDFAGEXVOTQF-UHFFFAOYSA-N 471.499 2.217 50 10 JEGE CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NNc2ccc([N+](=O)[O-])cc2F)cc1 1165876647 WUQVSLKDECEBOD-UHFFFAOYSA-N 452.464 2.481 50 10 JEGE C=CC[C@@]1(C(=O)NNC(=O)[C@H]2CCN2C(=O)OC(C)(C)C)CCCN1C(=O)OC(C)(C)C 1645021661 LTTVPAIDRLPWAJ-QRQCRPRQSA-N 452.552 2.489 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCC2(CC1)C[C@@H]2CBr 1944048329 JDNOHIJQYNZKQY-CQSZACIVSA-N 455.374 2.500 50 10 JEGE CC(C)(C)OC(=O)N[C@]1(C(=O)O)CCN(S(=O)(=O)c2ccc(CBr)cc2)C1 2163051653 VPQCMSMLYPWQDU-QGZVFWFLSA-N 463.350 2.324 50 10 JEGE CC(C)(C)OC(=O)N(CCOc1ncc(Br)cc1B(O)O)Cc1ccsc1 2240323559 YKJUMDZKVUVNPQ-UHFFFAOYSA-N 457.155 2.402 50 10 JEGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1cc(B(O)O)ccc1F 2317606483 WJHALPDMVGSQOP-XMMPIXPASA-N 476.313 2.439 50 10 JEGE CN(C)[C@H]1CN(C(=O)c2c(Br)c(Br)nn2C)C[C@@H]1Br 2338673546 MHLFCDIECFBQMQ-BQBZGAKWSA-N 458.980 2.095 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NCCN1CCC(Cl)CC1 2364215510 UWTCSZINBXTCBF-UHFFFAOYSA-N 456.008 2.466 50 10 JEGE COC(=O)Oc1ccc(C=NNC(=O)CN(c2cc(Cl)ccc2OC)S(C)(=O)=O)cc1OC 1084063348 XEGOIQUSFJDUIA-UHFFFAOYSA-N 499.929 2.419 50 10 JEGE C=CC(=O)N1CCC(C(=O)NNC(=O)COc2ccccc2OCC)(c2ccccc2)CC1 1135499258 DRPQLTCHUFLFHI-UHFFFAOYSA-N 451.523 2.358 50 10 JEGE C=C(CCN(C)C)C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 1290080380 FGSPCCDYDBXAKH-UHFFFAOYSA-N 450.948 2.410 50 10 JEGE C=CCNS(=O)(=O)c1cccc(C(=O)NNc2nc(-c3ccccn3)nc3c2CCC3)c1 1472508817 AXDTUTFRVMDQHZ-UHFFFAOYSA-N 450.524 2.249 50 10 JEGE CCOC(=O)c1c(C)nn(-c2ccc(Br)cc2)c1NC(=O)c1ccc(B(O)O)cc1 1866097685 PQFLNFZDEHTONC-UHFFFAOYSA-N 472.104 2.052 50 10 JEGE CN([C@@H]1CC[C@@H]1NC(=O)OCc1ccccc1)S(=O)(=O)N1CCC(Br)CC1 1999493337 BPGOLJPWVPQXEW-DLBZAZTESA-N 460.394 2.480 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC2CC1(CBr)C2 703965278 PBOGEYRCAHKVBB-UHFFFAOYSA-N 455.374 2.498 50 10 JEGE CC(C)CNC(=O)/C(C#N)=C\N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(N(C)C)cc1 1614098926 NDQMUIYPDOLYEX-CZNJWUCJSA-N 461.613 2.007 50 10 JEGE C[C@@H]1C[C@H](CBr)CN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000532474 JVTCRFHNFGFCDO-SNUQEOBHSA-N 461.353 2.446 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@@H]1COC2(CCC2)[C@@H]1Br 2085559012 CPVLMPAOQODSMX-HZPDHXFCSA-N 471.373 2.067 50 10 JEGE Cc1c(NC(=O)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)ccc(B(O)O)c1Cl 2268640720 YQTYRJCPXAUXJF-IBGZPJMESA-N 475.782 2.292 50 10 JEGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H](C)c1cscc1B(O)O 2268656345 WEXQOSFUXXRHHO-TWOQFEAHSA-N 476.404 2.446 50 10 JEGE CN(C)C[C@@H]1C[C@@H](Cl)CN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364215177 RPQJYQUEFHURHQ-SJORKVTESA-N 456.008 2.416 50 10 JEGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2OC)cc1Br 14662144 CTFCMMHZPXGUKO-UHFFFAOYSA-N 482.356 2.432 50 10 JEGE Nc1c(NCCCN2CCOCC2)ncnc1NNC(=O)C(c1ccccc1)c1ccccc1 40756688 ARKXBTKHDSZSID-UHFFFAOYSA-N 461.570 2.468 50 10 JEGE Cc1c(C(=O)NNC(=O)c2ccncc2)oc2c1C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772744197 AZYFRDJWPASJLY-UHFFFAOYSA-N 476.449 2.436 50 10 JEGE COc1cc(OC)cc(C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 1860769786 IBLNBGJNEQLHIA-GFCCVEGCSA-N 456.524 2.061 50 10 JEGE O=C(NC[C@]12CC[C@H]1CCCN2S(=O)(=O)N1CCC(Br)CC1)C(F)(F)F 2163058881 OMVZMWBWKKFXAH-BXUZGUMPSA-N 462.332 2.014 50 10 JEGE O=S(=O)([C@H]1C[C@H](CBr)C1)N1CC[C@H](N2CCN(Cc3ccccc3)CC2)C1 2179830446 LMCBRGZSWZNAAX-UFYCRDLUSA-N 456.450 2.382 50 10 JEGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1cc(B(O)O)cs1 2243679069 SBBOHRWUNRFCCA-HNNXBMFYSA-N 464.352 2.314 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC(OCCBr)C1 2316827460 QTZJVZVZACVNQG-UHFFFAOYSA-N 473.389 2.269 50 10 JEGE Cn1cc(Br)cc1C(=O)NNC(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 107697676 WYJXSRUZXUKURP-AWEZNQCLSA-N 465.323 2.169 50 10 JEGE CC(C)C(=O)Nc1nc(=O)c2ncn([C@@H]3C[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O3)c2[nH]1 195856135 WZQWRHWLQPEBFF-MJBXVCDLSA-N 451.600 2.384 50 10 JEGE CCCCOC(=O)c1ccccc1NC(=O)/C(C#N)=C\N(CCN(C)C)[C@@H]1CCS(=O)(=O)C1 217240778 NDBROLBGXQLVIB-WHPBDHBRSA-N 476.599 2.040 50 10 JEGE CC(=O)O[C@@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 255998785 RDLYSPHPIQHWLE-ZWJWXYIHSA-N 462.568 2.091 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@@H]2C[C@@H](CBr)[C@@H]2C1 1907291243 UMDCMKKDKRGHFM-ZQIUZPCESA-N 455.374 2.355 50 10 JEGE CC(C)(C)OC(=O)N(CCNC(=O)c1cc(B(O)O)cc(C(F)(F)F)c1)OCc1ccccc1 2281913040 LZAWGSJOHXDUGC-UHFFFAOYSA-N 482.264 2.484 50 10 JEGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3OC)CC2)ccc1OCC(N)=O 2293034756 HNDJPFDDHUEHQR-UHFFFAOYSA-N 464.522 2.214 50 10 JEGE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H](Br)C2CCCC2)[C@@H]2CS(=O)(=O)C[C@@H]21 2354959386 XCVXDBJRAMULEM-ILXRZTDVSA-N 465.410 2.185 50 10 JEGE COc1ccccc1N(CC(=O)NN=Cc1ccc(OCC(=O)OC(C)(C)C)cc1)S(C)(=O)=O 252626271 QZNIDRPUPGNZMW-UHFFFAOYSA-N 491.566 2.332 50 10 JEGE COc1ccc(C(=NNC(=O)NN)[C@@H](c2ccc(OC)cc2)[C@@]2(O)C(=O)Nc3ccccc32)cc1 254762084 BZGMUFGLOQKNLN-PXDATVDWSA-N 475.505 2.205 50 10 JEGE COC(=O)[C@@H](I)CNC(=O)c1sccc1I 309229776 KKCJLJCZZDRCBV-LURJTMIESA-N 465.050 2.059 50 10 JEGE O=C(NNC(=O)N1CCN(CC(=O)N2CCCc3ccccc32)CC1)c1cccc2cccnc12 731361290 DADNLNUFTOVOHY-UHFFFAOYSA-N 472.549 2.186 50 10 JEGE COc1ccc(N2C[C@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1Cl 1872961028 HNSRCOPTUUALIL-JKSUJKDBSA-N 471.945 2.478 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NC[C@H](Br)CC(F)(F)F 1982727234 GQRKOGQQYLNGEB-SNVBAGLBSA-N 457.268 2.308 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H](OCCBr)C1 2046756003 BEBOAXVTKVPZGB-AWEZNQCLSA-N 473.389 2.124 50 10 JEGE CC(C)(C)OC(=O)NCC1(F)CC(CNS(=O)(=O)N2CCC(Br)CC2)C1 2111941245 OUJYSHUJZSVZMV-UHFFFAOYSA-N 458.394 2.323 50 10 JEGE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)N2CCC(Br)CC2)CC(F)(F)C1 2127786083 ZPVHBHAECBYFLE-LBPRGKRZSA-N 462.357 2.325 50 10 JEGE COc1cc(B(O)O)c(C(=O)NCCCN(Cc2ccccc2)Cc2ccccc2)cc1OC 2282440615 UDSDPJYFSLDLNY-UHFFFAOYSA-N 462.355 2.206 50 10 JEGE C#CCOc1c(I)cc(C=C(C#N)C(N)=O)cc1I 2297559550 KNAAWFMQVDAFHX-UHFFFAOYSA-N 478.027 2.300 50 10 JEGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 9229877 TUEVIAPPPRCOKA-LFYBBSHMSA-N 486.506 2.276 50 10 JEGE COc1ccc(OCC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)CC(C)C)cc2)cc1 13978857 ZSJYKEWEJZMIJY-UHFFFAOYSA-N 458.540 2.394 50 10 JEGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 41017528 QGQGYKUIVJLRSS-FOWTUZBSSA-N 473.463 2.137 50 10 JEGE C=CCn1c(SCC(=O)N/N=C/c2cc(OC)c(O)cc2[N+](=O)[O-])nnc1-c1cccnc1 58992187 BDAGKKJCJBGTHE-SSDVNMTOSA-N 469.483 2.391 50 10 JEGE CCOc1cccc(-c2c(C(=O)NN=Cc3ccccc3OCC)nnn2-c2nonc2N)c1 254843712 KLLZSJSRPMOUNM-UHFFFAOYSA-N 462.470 2.461 50 10 JEGE CC(=O)N(C[C@H](Cc1ccc(N=C=S)cc1)N(C(C)=O)C(C)=O)C[C@@H](C)N(C(C)=O)C(C)=O 33753525 XKWMWKSTOBNCPW-CMJOXMDJSA-N 474.583 2.359 50 10 JEGE CNS(=O)(=O)c1ccccc1C(=O)NN=Cc1cc(Br)cc(OC)c1OC 254297137 MTQSPOODFXAZDZ-UHFFFAOYSA-N 456.318 2.138 50 10 JEGE CC(C)(C)OC(=O)N1CCN(C[C@H](Br)C(F)(F)F)[C@H]2CS(=O)(=O)C[C@H]21 2044705799 OCMMUDDRSLIVGG-AXFHLTTASA-N 451.305 2.031 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@@H](CBr)C[C@@H]1CCOC1 2074894824 DXILQZRXDVFCNW-LSDHHAIUSA-N 473.389 2.172 50 10 JEGE Cn1ncc(C(=O)N2CCO[C@@H]3C[C@@H](CBr)C[C@H]32)c1I 2199763416 UYDWDBJYFKHFRW-JMJZKYOTSA-N 454.106 2.039 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H]1CC[C@H](CBr)CO1 2264699685 RPRCFXWZZDVMPA-LPMFXHHGSA-N 491.379 2.120 50 10 JEGE O=C(c1sccc1I)N1C[C@@H]2OC[C@H](CBr)O[C@@H]2C1 2265141776 JYYFSNYATMPLTH-UJNFCWOMSA-N 458.115 2.356 50 10 JEGE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCSSCCNC(=O)OC(C)(C)C 2337186357 SGYNZUKXPRUXLM-UHFFFAOYSA-N 486.469 2.355 50 10 JEGE CCCOc1ccc(-c2c(C(=O)NN=Cc3ccc([N+](=O)[O-])cc3)nnn2-c2nonc2N)cc1 254451191 JLVHSONZKHAYKY-UHFFFAOYSA-N 477.441 2.360 50 10 JEGE COCCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc3c2CN([C@H]2CCC(=O)NC2=O)C3=O)cc1 1866213741 AIOZVZAVHUVGJK-OEHGHSTBSA-N 488.500 2.018 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H](Br)C1CCC1 2000532216 IAFHARNVRJGRJM-QAPCUYQASA-N 461.353 2.494 50 10 JEGE O=C(c1cccc(I)c1)N1C[C@@H]2OC[C@@H](CBr)O[C@H]2C1 2279904561 FLZZUAUILBHNCB-AGIUHOORSA-N 452.086 2.295 50 10 JEGE O=S1(=O)C[C@@H](I)[C@@H](OCc2cccc(I)c2)C1 2302689143 DXRDXRQURUXKPA-MNOVXSKESA-N 478.089 2.408 50 10 JEGE CN([C@@H]1COC[C@H]1Br)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316826080 WVLOXTDMLVVKPF-IAGOWNOFSA-N 473.389 2.267 50 10 JEGE C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(F)c(F)cc1B(O)O 2351780279 DSXSICGPWJFBNB-YJYMSZOUSA-N 464.274 2.082 50 10 JEGE COc1ccc(CC(=O)NC(=S)NNC(=O)c2ccccc2I)cc1 12503574 HHUDMMIWDUMCKN-UHFFFAOYSA-N 469.304 2.178 50 10 JEGE COC(=O)c1cc(Nc2ncnc(NNC(=O)COc3ccccc3)c2[N+](=O)[O-])cc(C(=O)OC)c1 40594122 SKCJHBNAFKXYIN-UHFFFAOYSA-N 496.436 2.224 50 10 JEGE Cc1nn(-c2ccccc2)c(N(C)C)c1/C=N/Nc1nnc(S[C@H](C)C(=O)NNC(=O)C(C)C)[nH]1 253577922 XRBPTCNTTHNDSA-AQXNZCSYSA-N 498.617 2.095 50 10 JEGE C=C[C@@](C)(O)C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 1540496110 GFHBVMAILBVEFP-GOSISDBHSA-N 457.430 2.204 50 10 JEGE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NNC(=O)[C@H](C)Oc2ccccc2F)cc1 1622886536 JPIKIDBKBIKWCF-AWEZNQCLSA-N 450.492 2.252 50 10 JEGE COc1cc(B(O)O)ccc1NC(=O)[C@@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21 2248416589 VZASFQXLVFDCDQ-OAHLLOKOSA-N 460.295 2.241 50 10 JEGE C[C@H](NC(=O)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1)c1cc(B(O)O)cs1 2283991957 WDMUJRINZBUBTP-BXKMTCNYSA-N 488.415 2.449 50 10 JEGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CCC[C@@H](Br)[C@H]1C(F)(F)F 2303942295 RSRBGOQMYNPBBL-OLZOCXBDSA-N 469.279 2.403 50 10 JEGE COCCOc1ccc(C(=O)NNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1Br 14661517 IUQGTGXBEUQKBF-UHFFFAOYSA-N 468.260 2.223 50 10 JEGE CCCN1C(=O)/C(=N\NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@H](C)C4)c2ccccc21 19651415 IXPYDPLAUTVPTD-NDWHSHQYSA-N 464.551 2.255 50 10 JEGE CN(C)CCN(/C=C(/C#N)C(=O)NC(c1ccccc1)c1ccccc1)[C@H]1CCS(=O)(=O)C1 216977336 NTTUSPSVGVMUFY-NMFWXREBSA-N 466.607 2.350 50 10 JEGE O=C(O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1O 249922929 VXLADYQBBOPTRE-RFCWUQKJSA-N 459.090 2.373 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H](CBr)OC2(CCC2)C1 2109487499 XLDHMAYKJNCLRJ-HNNXBMFYSA-N 485.400 2.411 50 10 JEGE CN1CCN(C(=O)OC(C)(C)C)[C@H](CNS(=O)(=O)c2ccc(CBr)cc2)C1 2162591659 MXDQCNXCINNNQK-OAHLLOKOSA-N 462.410 2.411 50 10 JEGE O=C(NC[C@@]12CC[C@@H]1CCCN2S(=O)(=O)N1CCC(Br)CC1)C(F)(F)F 2163058882 OMVZMWBWKKFXAH-FZMZJTMJSA-N 462.332 2.014 50 10 JEGE O=C(NCCC(=O)N1CCc2cccc(B(O)O)c2C1)OCC1c2ccccc2-c2ccccc21 2257366061 XTOQKESUJZYLCF-UHFFFAOYSA-N 470.334 2.180 50 10 JEGE O=C(CNS(=O)(=O)C=Cc1ccccc1)NNC(=O)CSc1cccc2cccnc12 2297381057 RHPDAMPNOYFKKZ-UHFFFAOYSA-N 456.549 2.065 50 10 JEGE O=C(N/N=C/c1cc(Cl)ccc1O)c1nonc1C(=O)N/N=C/c1cc(Cl)ccc1O 59503379 ZYEIJHMORGXNCG-KVJLFNRQSA-N 463.237 2.315 50 10 JEGE CO[C@](C)(CBr)CNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 707423052 CCWBFAPUOPJDJG-GOSISDBHSA-N 461.378 2.028 50 10 JEGE COc1ccc(Br)c(C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)c(C)c2)c1 728529510 AYITVVRTGVXDBR-UHFFFAOYSA-N 484.372 2.156 50 10 JEGE COc1ccc(S(=O)(=O)N2CCN(C(=O)Oc3ccc([N+](=O)[O-])cc3F)CC2)cc1OC 1858628822 JZPXIFGMJKPZST-UHFFFAOYSA-N 469.447 2.256 50 10 JEGE CC1(C)CN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@H](CBr)O1 2108243370 KMBFQTBVZAXXKS-ORAYPTAESA-N 491.379 2.215 50 10 JEGE C[C@@H](c1cc(B(O)O)cs1)N(C)C(=O)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2256675853 UBEHUUMIUZRNAR-MAUKXSAKSA-N 462.377 2.057 50 10 JEGE C[C@@H](NC(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)c1cscc1B(O)O 2256682398 YUJLTGAHTKAGLI-NVXWUHKLSA-N 462.377 2.105 50 10 JEGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1cnc(B(O)O)s1 2257377589 AJZIBBHXUDQBJM-JOCHJYFZSA-N 493.394 2.393 50 10 JEGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)COC[C@@H]1NC(=O)OC(C)(C)C 2306409713 ZQCHNQDXXGUINY-DJJJIMSYSA-N 481.637 2.229 50 10 JEGE COc1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccccc1I 12501592 SFYVMJHREMDWJU-UHFFFAOYSA-N 485.303 2.014 50 10 JEGE COc1cc(C=NNC(=O)C(=O)NC2CC2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 254439460 PWVGXAWLLXUITR-UHFFFAOYSA-N 478.427 2.460 50 10 JEGE CCOc1ccc(-c2c(C(=O)NN=Cc3ccccc3OCC)nnn2-c2nonc2N)cc1 254514173 PYSXBXFZBBDQON-UHFFFAOYSA-N 462.470 2.461 50 10 JEGE COc1cccc(-n2c(CC(=O)NNC(=O)Cn3nc(C)cc3C)csc2=NCc2ccco2)c1 761448207 GABYIWWVKMJYRD-UHFFFAOYSA-N 494.577 2.445 50 10 JEGE CC(C)NC(=O)COc1ccc(C=NNC(=O)C(=O)Nc2ccc(Br)cc2)cc1 1084377835 HZHQYYZVYFVOET-UHFFFAOYSA-N 461.316 2.441 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@@H](OCCBr)C1 2113856353 MGJKLDMSGCQZMJ-AUUYWEPGSA-N 491.379 2.217 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@]2(C[C@@H](Br)CO2)C1 2137121767 LOWDCZSRBWMZLB-VLIAUNLRSA-N 485.400 2.267 50 10 JEGE Cc1sc(B(O)O)cc1S(=O)(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 2247947393 VIJUWRBWOJUYRD-UHFFFAOYSA-N 458.414 2.059 50 10 JEGE Cc1cc(Cl)c(B(O)O)cc1NC(=O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2256666764 VWVASFIXUBCJSW-IBGZPJMESA-N 462.739 2.377 50 10 JEGE CCOc1ccc(C)cc1[C@@H](C)NC(=O)C(C#N)=CN(CCN(C)C)[C@@H]1CCS(=O)(=O)C1 2325075095 IMHFPKIVENXGTP-UYAOXDASSA-N 462.616 2.029 50 10 JEGE COc1cccc(C(=O)NCC(=O)N/N=C2/C(=O)N(Cc3ccc4c(c3)OCO4)c3ccccc32)c1 100368031 OJMNCVSLAHTLHB-RMLRFSFXSA-N 486.484 2.221 50 10 JEGE CCOc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN(C)c2ccccc2)cc1OC 254871687 FZHOPCDUWDZGJY-UHFFFAOYSA-N 491.512 2.040 50 10 JEGE C#CCNS(=O)(=O)c1ccc(C(=O)NNc2ccc([N+](=O)[O-])cc2Br)cc1 1567901082 MFZSKIPWDVIBQR-UHFFFAOYSA-N 453.274 2.026 50 10 JEGE Cc1c(C(=O)NCCCN2CCOCC2)oc2c1C(=NNC(=O)COc1ccccc1)CCC2 1772749456 LTTPUCBPIXFMRR-UHFFFAOYSA-N 468.554 2.276 50 10 JEGE O=C(NS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CCCO2)cc1)Oc1ccc([N+](=O)[O-])cc1F 1858954261 LCHWRRHKYNYIGA-KRWDZBQOSA-N 467.431 2.006 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@@H]1C[C@H](CBr)[C@H]2C[C@@H]21 2001892783 REQFRDMUYJNUFG-VDNDLQMASA-N 455.374 2.402 50 10 JEGE O=C(NCCOCCOCCOCCOCCOCCBr)OCc1ccccc1 2060003628 RBDRAXVCHLGEIZ-UHFFFAOYSA-N 478.380 2.391 50 10 JEGE C[C@@H](CCCCCI)NS(=O)(=O)c1c(Br)nnn1C 2117893269 HNALERVMBZEZAZ-QMMMGPOBSA-N 465.155 2.240 50 10 JEGE CC[C@]1(NC(=O)c2scc(B(O)O)c2Cl)CCCN(C(=O)OCc2ccccc2)C1 2282470309 UHUSTWIENNGEBZ-FQEVSTJZSA-N 450.753 2.393 50 10 JEGE CC(C)(C)OC(=O)N[C@H](CCOc1ncc(Br)cc1B(O)O)COCc1ccccc1 2303611949 OXSAXBHHZBTWIL-QGZVFWFLSA-N 495.179 2.403 50 10 JEGE COc1ccccc1OCC(=O)NC(=S)NNC(=O)COc1ccc(C)cc1Br 12571675 FRMQAPWUEJFQLJ-UHFFFAOYSA-N 482.356 2.246 50 10 JEGE Cc1cc(Br)cc(C)c1OCC(=O)NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 13629482 LQNNSTSSAZZIOQ-CQSZACIVSA-N 464.316 2.234 50 10 JEGE CCOC(=O)c1ccc(OCC(=O)NNC(=O)c2cc(Br)ccc2OCCOC)cc1 14662659 IZYJIEDVHCRZBB-UHFFFAOYSA-N 495.326 2.491 50 10 JEGE CCOc1ccccc1C(C)=NNC(=O)c1nnn(-c2nonc2N)c1CN1CCCC[C@H]1C 254313490 ZKAOXRJZENHHCT-CQSZACIVSA-N 467.534 2.160 50 10 JEGE CC(=NNC(=O)[C@@H]1Cc2ccccc2O1)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)O)cc1 748140452 GDHZQUUOVSRCNY-CTNGQTDRSA-N 471.535 2.158 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC[C@H](Br)C1CC1 2000545932 WEOINFLKHPGZJH-YJBOKZPZSA-N 461.353 2.494 50 10 JEGE C[C@H](Br)[C@@H]1CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)CCO1 2053852142 XCYQOXBJCBKJKV-BBRMVZONSA-N 473.389 2.123 50 10 JEGE CC(C)(C)OC(=O)N[C@H]1CCCC12CN(S(=O)(=O)N1CCC(Br)CC1)C2 2106782365 PXBGLCGROQCIBA-AWEZNQCLSA-N 452.415 2.470 50 10 JEGE N#CC1=Cn2c(s/c(=C/c3ccc4c(c3)OCO4)c2=O)=C(C#N)[C@@H]1c1ccc2c(c1)OCO2 2230065 SVWHQJDQJCNCAK-XAXNKGSYSA-N 455.451 2.032 50 10 JEGE O=C(N/N=C1/C(=O)N(CN2CCOCC2)c2ccccc21)c1c(F)c(F)c(F)c(F)c1F 103567080 IFMINZAVEVAPHH-NLRVBDNBSA-N 454.355 2.153 50 10 JEGE CC1=N[C@@]2(C(C)=NNC(N)=O)[C@H](C[C@@H]3[C@H]4CCC5=CC(=NNC(N)=O)C=C[C@]5(C)[C@@H]4C(=O)C[C@]32C)O1 1083142789 OFEHTJTYDSSXJI-KFVHLTIVSA-N 495.584 2.139 50 10 JEGE CC(C)(C)OC(=O)COc1ccc(C=NNC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1 1084216830 SGULGFZVDJXPKB-UHFFFAOYSA-N 461.540 2.323 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H]2[C@@H](Br)CC[C@H]2C1 1942098334 NDKMRVVDDDQJTF-XKQJLSEDSA-N 455.374 2.498 50 10 JEGE O=C(N[C@@H]1CS(=O)(=O)C[C@H]1Cl)c1ccc(Br)cc1I 2142281167 NAFJAKNXVGVDEU-PSASIEDQSA-N 478.533 2.188 50 10 JEGE Cc1ccccc1OCC(=O)NNC(=S)NC(=O)COc1ccc(Br)cc1 12572163 COFDFCBDFFDGPF-UHFFFAOYSA-N 452.330 2.237 50 10 JEGE O=C(CCC(=O)OCCCc1ccccc1)NC(=S)NNC(=O)c1ccc([N+](=O)[O-])cc1 13999314 HCNDGEMITVUAGQ-UHFFFAOYSA-N 458.496 2.187 50 10 JEGE Cc1c(C(=O)NCCCN2CCOCC2)oc2c1/C(=N/NC(=O)c1ccccc1O)CCC2 40826291 QABVCTSLUSEQFH-NLRVBDNBSA-N 454.527 2.216 50 10 JEGE Cc1cc(Cl)ccc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)NC[C@H]2CCCO2)cc1 1084025679 GDGPJTSLFTURJC-LJQANCHMSA-N 472.929 2.411 50 10 JEGE C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)N1C[C@H](C(=O)N2CCC[C@@H](C(=O)NNc3ccccn3)C2)CC1=O 1872961048 HVTZOZPULMMBCD-ZWMUSQMVSA-N 453.587 2.437 50 10 JEGE CC(C)(C)OC(=O)N[C@H]1CN(S(=O)(=O)CI)CC[C@H]1C(F)(F)F 1983326711 DENUYSVELXEBMD-BDAKNGLRSA-N 472.267 2.486 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](C2CC2)[C@@H](Br)C1 2046030298 XDGKZZNBVDFUEU-GJYPPUQNSA-N 473.364 2.446 50 10 JEGE O=C(NCCS(=O)(=O)CCCl)c1ccc(I)c(Br)c1 2335767095 XXRUNBHJGBXFLZ-UHFFFAOYSA-N 480.549 2.437 50 10 JEGE Cc1ccc(C(=O)NNc2ncnc(NNC(=O)c3ccccc3[N+](=O)[O-])c2[N+](=O)[O-])cc1 40657425 YYJKQVKDGSRCRU-UHFFFAOYSA-N 452.387 2.115 50 10 JEGE CCOC(=O)c1ccccc1NC(=O)/C(C#N)=C\N1CCN(S(=O)(=O)c2ccccc2)CC1 217158530 WQPZUPFCCFRTHU-ZCXUNETKSA-N 468.535 2.216 50 10 JEGE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NNC(=O)COc2ccc(Cl)cc2)cc1 1562197768 TWQVZJRMCURZRP-UHFFFAOYSA-N 452.920 2.378 50 10 JEGE CC(C)(C)OC(=O)Nc1ccc(C(=O)NNC(=O)CCN2C(=O)c3ccccc3C2=O)cc1 1858081942 SRYZBOXPOWXTQF-UHFFFAOYSA-N 452.467 2.481 50 10 JEGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)N/N=C/c1cnn(C(C)C)c1 20827471 ILHFGTQJNNQESX-LSHDLFTRSA-N 464.559 2.277 50 10 JEGE COC(=O)[C@@H](I)CNS(=O)(=O)c1ccc(Cl)c(F)c1Cl 234614931 DFPZRQFZMWBIJL-LURJTMIESA-N 456.060 2.387 50 10 JEGE COC(=O)c1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CSc2ccc(C)cc2)cc1 254883511 JNNIJUXTFXFTGM-UHFFFAOYSA-N 492.521 2.384 50 10 JEGE CC(=NNC(=O)CN1CCCc2ccccc21)c1ccc(S(=O)(=O)N(C)CCCC(=O)O)cc1 916544904 XCNGGKBULPKWRA-UHFFFAOYSA-N 486.594 2.465 50 10 JEGE COC[C@@](C)(CBr)N(C)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1942100148 ZRHSWXXDVQKZSD-GOSISDBHSA-N 461.378 2.124 50 10 JEGE CCCCCCC(=O)NNC=C1C(=O)NC(=O)N(c2ccc(I)cc2)C1=O 2296940712 DPACGSRPAJMHAA-UHFFFAOYSA-N 484.294 2.349 50 10 JEGE Cc1ccc(C(=O)NNC(=O)CSc2nnc(N3CCOCC3)n2-c2cccc(C)c2)cc1 17876298 DTAQRZVIASPCQA-UHFFFAOYSA-N 466.567 2.274 50 10 JEGE CC(C)(C)[Si](OC[C@H]1O[C@@H](n2ccc(N)nc2=O)C[C@@H]1O)(c1ccccc1)c1ccccc1 203719401 JKZFAPFTDSHITQ-QZNHQXDQSA-N 465.626 2.051 50 10 JEGE in-vitro COC(=O)[C@H](I)CNC(=O)c1cccc(C)c1I 234598715 XWAIMPJQLZSNQK-SECBINFHSA-N 473.048 2.306 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1CCCN(CCBr)C1 703998560 CPDXGMRFGRLFQE-HNNXBMFYSA-N 486.432 2.088 50 10 JEGE COc1cccc(OCC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)c1 1860771836 JBALBUAVBLJPOZ-ZDUSSCGKSA-N 456.524 2.133 50 10 JEGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)C1 1873777996 YPARLDZYJJUYPF-QGZVFWFLSA-N 473.489 2.466 50 10 JEGE CN(CC1CC(Br)C1)C(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)OC(C)(C)C 1887830143 STNWSWUKOFDCQS-RUXDESIVSA-N 453.399 2.043 50 10 JEGE COc1ccc(C(=O)NNC(=S)NC(=O)COc2ccccc2OC)cc1Br 12571647 HORYUEVKBWYKOX-UHFFFAOYSA-N 468.329 2.181 50 10 JEGE COc1cccc(C(=O)N/N=C2/C(=O)N(CCN3C(=O)c4ccccc4C3=O)c3ccccc32)c1 59471823 ZLGZXRHRZFWTAX-HPNDGRJYSA-N 468.469 2.472 50 10 JEGE O=C(CCn1nnc2ccccc2c1=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1 783471880 QVDMYFUFTKXPAF-UHFFFAOYSA-N 461.453 2.361 50 10 JEGE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[C@@H](NS(=O)(=O)N1CCC(Br)CC1)C2 2106295830 LRXZAMCZSFRQTR-YDHLFZDLSA-N 452.415 2.326 50 10 JEGE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H]1CN(S(=O)(=O)N1CCC(Br)CC1)C2 2333677676 LBFDWDUKXRGYEM-KCQAQPDRSA-N 452.415 2.326 50 10 JEGE Nc1c(NNC(=O)COc2ccccc2)ncnc1NNC(=O)c1ccc(Br)cc1 40784520 PMLBGBWKOZGCES-UHFFFAOYSA-N 472.303 2.100 50 10 JEGE COc1ccc(Br)c(/C=N/NC(=O)CNC(=O)c2ccc(OC)c(OC)c2)c1 48572074 PLKWSIURIPTMPW-LSHDLFTRSA-N 450.289 2.355 50 10 JEGE Nn1c(SCC(=O)N/N=C/c2ccc(O)cc2O)nnc1-c1ccc(Br)cc1 58987296 NCBJZQZMTAGSBS-DNTJNYDQSA-N 463.317 2.075 50 10 JEGE Cc1cccc(Cn2cc([N+](=O)[O-])c(C(=O)N/N=C/c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3O)n2)c1 103532805 QXJOHYGCNFGNSK-DNTJNYDQSA-N 469.370 2.434 50 10 JEGE Cc1nc(-c2cnccn2)sc1C(=O)NNC(=O)c1ccccc1S(=O)(=O)CC(C)C 1865757416 BUMLDIXPVDPHED-UHFFFAOYSA-N 459.553 2.413 50 10 JEGE O=C(O)c1cc(S(=O)(=O)NC[C@@H]2C[C@H]2Br)ccc1I 1887792828 DSACPIFKBOEXCM-IMTBSYHQSA-N 460.087 2.051 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@@H](Br)[C@H](C2CC2)C1 1943031031 RDNQJIXWHTURRM-DLBZAZTESA-N 455.374 2.498 50 10 JEGE O=C(C=Cc1cccc([N+](=O)[O-])c1)NC(=S)NNC(=O)c1ccc(NC(=O)C2CC2)cc1 2313860898 WKXIAVOQUSNSGW-UHFFFAOYSA-N 453.480 2.292 50 10 JEGE OB(O)c1csc(CSc2cc(I)ccc2Br)n1 2319996143 QBDIZOQHAACAQU-UHFFFAOYSA-N 455.933 2.482 50 10 JEGE Cc1cc(C)c(S(=O)(=O)N2CCN(CC(=O)/C(C#N)=C3\NC(=O)c4ccccc4N3)CC2)c(C)c1 9349514 QTRCTJISZURWFO-GFMRDNFCSA-N 493.589 2.078 50 10 JEGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCN2C(=O)c3ccccc3C2=O)c(OC)c1 40890130 QFFNFERNDRVGKN-NBVRZTHBSA-N 491.500 2.347 50 10 JEGE CCN(CC)Cc1nnn(-c2nonc2N)c1C(=O)NN=C(C)c1ccc(CC(C)C)cc1 254794088 BZJZJZTZEKWSGS-UHFFFAOYSA-N 453.551 2.427 50 10 JEGE C=CCNS(=O)(=O)c1cc(C(=O)NNC(=O)c2cc(-c3ccc(C)cc3)[nH]n2)ccc1F 1464225593 KHYYHTUETVRPJP-UHFFFAOYSA-N 457.487 2.063 50 10 JEGE CN(C[C@H]1C[C@H](Br)C1)C(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)OC(C)(C)C 1887823861 STNWSWUKOFDCQS-IHRRRGAJSA-N 453.399 2.043 50 10 JEGE CC1([C@H](CBr)NS(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2000536794 ABYKCGDUKAOUAL-KSSFIOAISA-N 461.353 2.494 50 10 JEGE O=C1CN(C(=O)c2ccc(F)cc2I)CCN1CCBr 2171079014 HWCVWNJPYYUIMZ-UHFFFAOYSA-N 455.065 2.110 50 10 JEGE O=S(=O)(c1cnn(CCBr)c1)N1CC[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 2179824251 SMZMABUZVFTRDD-ZWKOTPCHSA-N 453.406 2.421 50 10 JEGE CN(Cc1sccc1B(O)O)C(=O)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2283986499 RCHSKXGWNWBHQJ-XMMPIXPASA-N 488.415 2.230 50 10 JEGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccccc1[N+](=O)[O-] 2314795826 VEGPVOPVGSROGS-UHFFFAOYSA-N 467.434 2.354 50 10 JEGE COC(=O)c1cccc(C(=O)NC(=S)NNC(=O)c2ccc(OC)c(Br)c2)c1 10294090 LCXOEBQHIZTPDQ-UHFFFAOYSA-N 466.313 2.194 50 10 JEGE COC(=O)[C@H](Br)Cn1cnc(I)c1I 379503698 MJFFLNAJIKPMOJ-SCSAIBSYSA-N 484.857 2.029 50 10 JEGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNS(=O)(=O)CBr)C1 1884165582 GYWKRNUHXKFRJP-INIZCTEOSA-N 462.410 2.380 50 10 JEGE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)[C@@H](Br)C2CCCC2)C1 2167047742 KZLGQWHQZURDLG-GJZGRUSLSA-N 467.426 2.481 50 10 JEGE C[C@H](NC(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)c1cc(B(O)O)cs1 2256671034 NASOSJNGBQUFAZ-MAUKXSAKSA-N 462.377 2.105 50 10 JEGE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NNC(=O)c1ccncc1 2313682477 DAZZADVHAVLLID-UHFFFAOYSA-N 450.480 2.166 50 10 JEGE Cn1nc(Br)c(Br)c1C(=O)N1CCOC[C@H](CBr)C1 2338680340 BPADBWXTDOKPDD-SSDOTTSWSA-N 459.964 2.429 50 10 JEGE CC(C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 13980093 PFRDQICWKMCVRD-UHFFFAOYSA-N 461.456 2.341 50 10 JEGE Cc1nc(N)c(C#N)c(SCC(=O)NNC(=O)CSc2nc3ccccc3s2)c1C#N 59449007 FRIXGKDTFVZJEN-UHFFFAOYSA-N 469.577 2.357 50 10 JEGE O=C(CSc1n[nH]c(N/N=C/c2cc(Cl)cc(Cl)c2O)n1)NNC(=O)C1CCC1 59879475 SPRKEHYRPSISLN-KPSZGOFPSA-N 458.331 2.303 50 10 JEGE CC(=O)O[C@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 216790945 RDLYSPHPIQHWLE-VHPHOLNESA-N 462.568 2.091 50 10 JEGE N#C/C(=C\N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(F)cc1)C(=O)NCc1ccco1 254554931 KAUAVNXJOQEGNM-ZQIUXXAISA-N 474.539 2.213 50 10 JEGE CC(C)[C@H](CI)NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 1978675965 HQJIJHKKVXCUBZ-YOEHRIQHSA-N 496.342 2.390 50 10 JEGE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)CI)CC[C@@H]1C(F)(F)F 1983326712 DENUYSVELXEBMD-DTWKUNHWSA-N 472.267 2.486 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2CC(Br)C[C@H]2C1 2065397615 QWBSJBQXUQPITD-JMERFSKESA-N 473.364 2.446 50 10 JEGE CON(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)N1CCC(Br)CC1 2115830164 DUBCMOWOPBXYET-UHFFFAOYSA-N 456.403 2.353 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](Cl)C[C@]2(CCCO2)C1 2164515045 PXGCQYUKEUBUJQ-PNHOKKKMSA-N 458.939 2.203 50 10 JEGE C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1)c1cc(B(O)O)cs1 2256626470 KJCSXEHOWKSPDA-KHYOSLBOSA-N 462.377 2.104 50 10 JEGE Cc1cc(OCC(=O)NC(=S)NNC(=O)c2cccc([N+](=O)[O-])c2)ccc1Br 12573352 QBUXSMJHSITYNT-UHFFFAOYSA-N 467.301 2.380 50 10 JEGE O=C(Cc1ccc([N+](=O)[O-])cc1)NNc1ncnc(Nc2ccc3c(c2)OCCO3)c1[N+](=O)[O-] 40646201 PYNUASFMMFOJTC-UHFFFAOYSA-N 467.398 2.494 50 10 JEGE Cc1ccc(NC(=O)CCCC(CC(=O)c2ccc(F)cc2)=NNC(=O)C(=O)NN)cc1C 254439555 SFEJSMVMEQFXPQ-UHFFFAOYSA-N 455.490 2.286 50 10 JEGE CSc1ccc(C=c2sc3n(c2=O)C(N)=C(C#N)[C@@H](c2ccc(SC)cc2)C=3C(N)=O)cc1 254824300 AHCLXUFESBXHAI-LJQANCHMSA-N 492.651 2.267 50 10 JEGE C#C[C@H](NC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1)c1ccc(Br)cc1 1478895861 HAGCFCSAUICQFP-INIZCTEOSA-N 450.314 2.171 50 10 JEGE CN(C)S(=O)(=O)c1ccc(C(=O)NC2=NC(=C(C#N)C(=O)N3CCCCC3)c3ccccc32)cc1 2040464226 GBLRFRTZBRSNQC-UHFFFAOYSA-N 491.573 2.374 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1C[P@@](C)(=O)C[C@@H]1Br 2057715220 SIOMIYLDGVMWRY-WDYLCZHCSA-N 491.344 2.367 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)N2CCC(Br)CC2)[C@H]2CC[C@@H]21 2121238400 UDTHEDNZYRFANI-ILXRZTDVSA-N 452.415 2.468 50 10 JEGE C[C@H](NC(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)c1cc(B(O)O)cs1 2256681565 NASOSJNGBQUFAZ-MAUKXSAKSA-N 462.377 2.105 50 10 JEGE C[C@@H](NC(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)c1ccc(B(O)O)cc1 2268708059 XGZGDWZOJYBRQH-DYESRHJHSA-N 456.348 2.044 50 10 JEGE COc1cc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2)cc(OC)c1OC 12569898 PWEWVPVYWAKCAS-UHFFFAOYSA-N 498.355 2.189 50 10 JEGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)/C=C\c3ccc(Cl)cc3Cl)nc2)CC1 96838997 DGJGIUNQJQWOEY-CLTKARDFSA-N 470.382 2.481 50 10 JEGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(N)=O)cc2)Cc2ccccc2)cc1 252616947 KJHBTNLADKUAIK-UHFFFAOYSA-N 494.573 2.200 50 10 JEGE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)COc1ccccc1Br 1643659476 ZUFMSFPRGBBWDJ-CQSZACIVSA-N 454.321 2.282 50 10 JEGE C[C@@H](C(=O)N1CCCCC1)N1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 101052153 GZTZQEQSWBKTJG-NAUHBQLRSA-N 462.182 2.165 50 10 JEGE Cc1c(C(=O)NNC(=O)CCOc2ccccc2)nnn1C1CCN(C(=O)OC(C)(C)C)CC1 726164199 OMDYRUOVULQMDY-UHFFFAOYSA-N 472.546 2.389 50 10 JEGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 1897676113 VJKHLLRKVJDLRH-KGLIPLIRSA-N 465.638 2.379 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N[C@@H](CBr)c1cscn1 1982719420 NCURFHUFFBOFLS-ZDUSSCGKSA-N 458.359 2.185 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H]2C[C@H](Br)C[C@H]2C1 2012875950 BSTXXGGDKQXGOR-FICVDOATSA-N 455.374 2.498 50 10 JEGE CCC(CBr)(CBr)NS(=O)(=O)c1c(Br)cnn1C 2029277115 YANGYTMKGJYRFY-UHFFFAOYSA-N 468.009 2.400 50 10 JEGE CN(C[C@@H](COCc1ccccc1)Oc1ncc(Br)cc1B(O)O)C(=O)OC(C)(C)C 2217191195 BSRXTVXRFDOAJP-KRWDZBQOSA-N 495.179 2.355 50 10 JEGE CC(C)Oc1ccc(C=NNC(=O)[C@H](C)Sc2nnc(O)nc2O)cc1Br 2323160627 IVYLDTMYZFDPQQ-VIFPVBQESA-N 456.322 2.463 50 10 JEGE CC(=O)N1CCN(C(=O)C(C#N)=CN2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1 2324850844 GTRAHTUOXKXZLE-UHFFFAOYSA-N 457.578 2.492 50 10 JEGE CC(=O)NNC(=O)[C@H](C)Sc1n[nH]c(N/N=C/c2ccc(OCc3ccccc3)cc2)n1 59879622 GICXDUVMLXRBCG-OFJBCHTGSA-N 453.528 2.478 50 10 JEGE N#C/C(=C/N[C@@H]1CCS(=O)(=O)C1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216500300 FBMNYMIXGVONTJ-MUGAAPJKSA-N 464.591 2.104 50 10 JEGE COc1cc(C=NNC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)cc(OC)c1OC(C)=O 254478662 GSSVCKQFRKPBQI-UHFFFAOYSA-N 468.554 2.205 50 10 JEGE CC(C)[C@@H](CI)NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 1978675962 HQJIJHKKVXCUBZ-PBHICJAKSA-N 496.342 2.390 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@H]1C[C@H](Br)CCO1 2036676805 PENAZELEBSXKID-HUUCEWRRSA-N 473.389 2.315 50 10 JEGE COc1ccc(B(O)O)cc1NC(=O)[C@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21 2248402570 YOMQVYBHADVFCJ-HNNXBMFYSA-N 460.295 2.241 50 10 JEGE C[C@H](c1cscc1B(O)O)N(C)C(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2268701874 SDKIDLQSYUOGHI-SJLPKXTDSA-N 476.404 2.448 50 10 JEGE Cn1nc(Br)c(Br)c1C(=O)N1CCN2C[C@H](Br)C[C@H]2C1 2364230024 HCFIJKDHVJBVNA-SFYZADRCSA-N 470.991 2.239 50 10 JEGE Cc1ccn2cc(C(=O)NNC(=O)Cn3cnc4sc5c(c4c3=O)CC[C@H](C)C5)nc2c1 1860770099 STLWUNWGIYXNQR-LBPRGKRZSA-N 450.524 2.000 50 10 JEGE CC(C)(C)OC(=O)N[C@]12CCC[C@H]1CN(S(=O)(=O)N1CCC(Br)CC1)C2 1893721117 YJSLWDYJWIESIW-GUYCJALGSA-N 452.415 2.470 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CCBr)C1CC1 2000540202 DJJUNAJPQLWNJQ-YJBOKZPZSA-N 461.353 2.494 50 10 JEGE CCO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NS(=O)(=O)N1CCC(Br)CC1 2162595377 WICKBURIWUAQFM-LSDHHAIUSA-N 470.430 2.095 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2OCCC[C@]2(CCl)C1 2238800824 UZMZSMYTKZPDDS-VDGAXYAQSA-N 458.939 2.060 50 10 JEGE O=C(NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1)c1cc(Cl)ccc1B(O)O 2267353310 PTQFTUJJPUTLGS-UHFFFAOYSA-N 464.758 2.221 50 10 JEGE CCCOC(=O)CCC(=O)NC(=S)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 13997472 FNYGCELERASFJC-UHFFFAOYSA-N 477.370 2.467 50 10 JEGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H](Br)C2=O 33514322 LPCXJKSHMOKHPG-KYNGSXCRSA-N 452.305 2.444 50 10 JEGE C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)CCN2C(=O)c3ccccc3C2=O)c(OC)c1 34897413 NBLAZDVDGUYZPD-LGMDPLHJSA-N 459.458 2.496 50 10 JEGE COC(=O)c1ccccc1NC(=O)/C(C#N)=C\N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 217226456 FOJNDAXOGQGYDS-VLGSPTGOSA-N 468.535 2.134 50 10 JEGE C=CCNC(=S)NNC(=O)C1(NC(=O)NCc2cccc(Br)c2)CCCC1 1135700433 HKEQZNNAIDHHII-UHFFFAOYSA-N 454.394 2.242 50 10 JEGE C/C(=C/C(=O)NNC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1)CN1CCOCC1 1540691969 PCTWJVHUXZGGTB-VBKFSLOCSA-N 455.584 2.425 50 10 JEGE O=S(=O)(C[C@@H](Br)c1cccc(I)c1)N1CCOCC1 2089400038 KFDNGJIBLUOTCN-GFCCVEGCSA-N 460.131 2.389 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC2(C1)OCCC[C@@H]2Br 2103422014 JJVVWHZSMUVTAW-INIZCTEOSA-N 485.400 2.267 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)N2CCC(Br)CC2)C(F)(F)C1 2264449735 DYRKPPHCZUPQTJ-GFCCVEGCSA-N 462.357 2.325 50 10 JEGE O=C1C(=O)N(CCOCCI)c2ccc(I)cc21 2326672886 OKWFENIZMMTGGM-UHFFFAOYSA-N 471.032 2.272 50 10 JEGE CC(=CC(=O)N[C@H](CO)C(=O)Nc1ccc(SC#N)cc1)c1cccc(S(=O)(=O)N(C)C)c1 2331926161 NJRHTMUMSXZVNT-HXUWFJFHSA-N 488.591 2.029 50 10 JEGE Cc1c(C(=O)NNC(=O)c2ccco2)oc2c1/C(=N/NS(=O)(=O)c1ccc(F)cc1)CCC2 40826201 GJCHSPQRVCPPDI-HZHRSRAPSA-N 474.470 2.414 50 10 JEGE CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)OCC(=O)NNC(=O)Cc1nc(C)cs1)O[C@@H](C)C2 730648696 AIPINVRMGGQKJM-QRTARXTBSA-N 473.551 2.210 50 10 JEGE O=C(NN=Cc1ccccn1)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 1083866636 PJTKVEUCIDYFPE-UHFFFAOYSA-N 451.346 2.395 50 10 JEGE Cc1c(C(=O)NNC(=O)COc2ccccc2)oc2c1C(=NNC(=O)c1ccccn1)CCC2 1772746833 HFLGPUQVBGMZEL-UHFFFAOYSA-N 461.478 2.293 50 10 JEGE CC(C)(C)OC(=O)N1C[C@H]2C[C@H](NS(=O)(=O)N3CCC(Br)CC3)C[C@H]2C1 2106294889 AMHDMANJLFZIOK-NHAGDIPZSA-N 452.415 2.326 50 10 JEGE CC(C)(C)OC(=O)N[C@H]1CN(S(=O)(=O)N2CCC(Br)CC2)C[C@@H]1C(F)(F)F 2163050416 JQERSRNSMPRZHH-RYUDHWBXSA-N 480.347 2.478 50 10 JEGE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)c2ccc(CBr)cc2)CC[C@@H]1CO 2178899073 XJIDRECVIHAVRA-GDBMZVCRSA-N 463.394 2.478 50 10 JEGE Cc1sc(CN(C)C(=O)[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)c(B(O)O)c1C 2268712885 XUWBJDXERZCMSD-GOSISDBHSA-N 476.404 2.113 50 10 JEGE O=C(c1ccccc1I)N1C[C@@H]2OC[C@@H](CBr)O[C@@H]2C1 2279929796 UOLXKYGOVLRIHN-JIMOISOXSA-N 452.086 2.295 50 10 JEGE CCOc1cc(C=NNC(=O)Cn2c(C)cc(COC)c(C#N)c2=O)cc(Br)c1O 254898889 XOQMNVMFHNIIES-UHFFFAOYSA-N 477.315 2.192 50 10 JEGE CC1(C)O[C@@H]2O[C@@H]([C@@H](O)CO)[C@@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H]2O1 1076120238 ZCDXDKZPZSMWNP-HPAIXVDQSA-N 458.627 2.161 50 10 JEGE CC(=O)O[C@H]1[C@H](CO[Si](C)(C)C(C)(C)C)O[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 1083805707 RDLYSPHPIQHWLE-VMXHOPILSA-N 462.568 2.091 50 10 JEGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1)NC[C@@H]1CCCO1 1084529190 KKSOHLNZGCTYIC-IBGZPJMESA-N 492.454 2.468 50 10 JEGE C#Cc1cccc(NC(=S)NNC(=O)c2ccc(OC)c(I)n2)c1 1594437904 VBGXGHFYGKXQOB-UHFFFAOYSA-N 452.277 2.308 50 10 JEGE Cc1c(C(=O)NCCCN2CCOCC2)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772747263 NIWKOWLGRNJXCA-UHFFFAOYSA-N 497.552 2.348 50 10 JEGE CC1=N[C@]2(/C(C)=N/NC(N)=O)[C@@H](C[C@@H]3[C@@H]4CCC5=C/C(=N\NC(N)=O)C=C[C@]5(C)[C@@H]4C(=O)C[C@@]32C)O1 1848436070 OFEHTJTYDSSXJI-MZHLLVRZSA-N 495.584 2.139 50 10 JEGE COc1ccc(OCC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1865851534 DNEFYOKSSVZNTN-KGLIPLIRSA-N 470.551 2.379 50 10 JEGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@@H](Br)[C@@H]2COC[C@@H]21 2338861612 SCFCHTQPBDQDBK-XVMARJQXSA-N 457.948 2.179 50 10 JEGE COCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C(C)C)cc1 14660719 QRKQGLQTOBIBAT-UHFFFAOYSA-N 458.540 2.256 50 10 JEGE COc1ccc(/C=N/NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(C(=O)O)cc2)c(OC)c1 39371237 NBJVUPCGSVKUEM-YRJNPLERSA-N 454.508 2.345 50 10 JEGE N#C/C(=C/c1ccc[nH]1)C(=O)NNC(=S)NC(=O)/C=C/c1ccc(Br)s1 1088721000 RFPXTCUUDQDVNO-VFAAGJRPSA-N 450.343 2.481 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@H]2CCC[C@]2(CBr)C1 1997171360 UJXNYIUSHABDMA-KUHUBIRLSA-N 455.374 2.500 50 10 JEGE COC[C@@](C)(CBr)N(C)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2046024758 CXAUAILJQDZEDM-ZWKOTPCHSA-N 479.368 2.072 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2C[C@H](Br)C[C@H]2C1 2065397616 QWBSJBQXUQPITD-UMCXVIDHSA-N 473.364 2.446 50 10 JEGE Cc1ccc(I)c(C(=O)N2CCN(CCBr)C(=O)C2)c1 2240925615 PQELWFGQHFCQND-UHFFFAOYSA-N 451.102 2.279 50 10 JEGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2267870520 FNDITPDWPZELQJ-UHFFFAOYSA-N 484.453 2.412 50 10 JEGE Cn1nc(Br)c(Br)c1C(=O)NC[C@@H]1C[C@@H](CBr)CO1 2338860726 MVXBPEQMTFQAMR-BQBZGAKWSA-N 459.964 2.475 50 10 JEGE N#C/C=C1/Sc2ccccc2C(=O)N1CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 33487580 GVNBQXUVOARBAP-UFFVCSGVSA-N 468.560 2.133 50 10 JEGE COc1ccc(/C=C\C(=O)NC(=S)NNC(=O)CCC(=O)Nc2ccccc2)cc1OC 33627864 QRITUQFYQASSAD-LUAWRHEFSA-N 456.524 2.158 50 10 JEGE COc1ccccc1CC(C)=NNC(=O)c1nnn(-c2nonc2N)c1-c1ccc([N+](=O)[O-])cc1 254828945 ZWEBECDHCFPZSS-UHFFFAOYSA-N 477.441 2.165 50 10 JEGE Nn1c(SCC(=O)NN=Cc2cc([N+](=O)[O-])ccc2O)nnc1-c1ccccc1Br 1084510238 LAIBJAQEDHPNMK-UHFFFAOYSA-N 492.315 2.278 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1CC[C@@H]2C[C@]21CBr 2068384627 PVLBSQBLGGTACA-GEAQGZNASA-N 473.364 2.494 50 10 JEGE CCN(CCBr)CCC[C@H](C)NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O 2083653649 DALVBFAYFWSNQS-HNNXBMFYSA-N 474.421 2.088 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H]2COC[C@@H](C1)[C@H]2Br 2132542023 GGHBHYVDVLCQLX-JLVBRIDZSA-N 485.400 2.124 50 10 JEGE Cc1cccn2c(=O)c(C=C(C#N)S(=O)(=O)c3ccccc3)c(N3CCC(C(N)=O)CC3)nc12 2296849733 IRMDSCFLNZXKLE-UHFFFAOYSA-N 477.546 2.043 50 10 JEGE CN(Cc1sccc1B(O)O)C(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 2302681570 WMMIOZYBBWAZRR-UHFFFAOYSA-N 476.363 2.458 50 10 JEGE COCCOc1ccc(C=C(C#N)C(=O)Nc2cccc3c2CN([C@@H]2CCC(=O)NC2=O)C3=O)cc1 2331123270 AIOZVZAVHUVGJK-JOCHJYFZSA-N 488.500 2.018 50 10 JEGE COc1ccc(/C(C)=N/NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2N)cc1OC 58989817 MEGDFAGEXVOTQF-WSDLNYQXSA-N 471.499 2.217 50 10 JEGE CC(=O)c1ccc(S(=O)(=O)CC(=O)NNc2ncccc2C(=O)OC(C)(C)C)cc1F 1631761586 LSJDEKOKXSMHQV-UHFFFAOYSA-N 451.476 2.296 50 10 JEGE CC(=O)N1CCN(Cc2ccccc2NC(=O)NNC(=O)COc2ccc(Cl)cc2)CC1 1676422498 JPELISOKBZJDCO-UHFFFAOYSA-N 459.934 2.236 50 10 JEGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)CI)C[C@@H]1CC(F)F 1974815932 NOCAWBFULYMGOT-VIFPVBQESA-N 454.277 2.285 50 10 JEGE COc1ccc([C@H](C)NC(=O)C(C#N)=CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1OC 2325051834 WOYPYFSUSFCXLC-SFHVURJKSA-N 484.578 2.295 50 10 JEGE C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CC(=O)OC(C)(C)C)C(=O)CBr 208796486 QGKGJSJIMAFPCP-UKRRQHHQSA-N 471.348 2.482 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2C[C@@]2(CBr)C1 2000544848 QFQISAMVXTUHNG-UYHISHBKSA-N 459.337 2.057 50 10 JEGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CC[C@@H]2CC[C@@H](Br)C[C@H]2C1 2024504026 XLJPYZHLIINQAE-SOUVJXGZSA-N 455.374 2.498 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2CC[C@H](Br)[C@H]2C1 2046026825 VHEILDBRBAENPK-DLLGKBFGSA-N 473.364 2.446 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H]2OCCC[C@@]2(CBr)C1 2230593317 YHFCCYRYWUEGDE-YLJYHZDGSA-N 485.400 2.269 50 10 JEGE CC(C)(C)OC(=O)N1CC([C@H]2C(=O)NCCN2CCCCCI)C1 2306852639 MTRBWWOUBXYAHK-AWEZNQCLSA-N 451.349 2.259 50 10 JEGE COCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)Cc1ccccc1 14662964 OQNQCZUJAAQLOC-UHFFFAOYSA-N 466.357 2.353 50 10 JEGE Cc1ccc(C)c2c1=NC(=O)C=2NNC(=O)/C(=C/C=C\c1ccccc1)NC(=O)c1ccccc1 38186614 LYNFSQAJXRVZSL-ZFSSDNBDSA-N 464.525 2.220 50 10 JEGE COC(=O)CN1C(=O)/C(=N/NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)c2ccccc21 59181315 HDERRMDIKLQCFT-OVVQPSECSA-N 459.384 2.095 50 10 JEGE Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)c1 102685018 DLBFTSDZQDRVPA-FSEPTYSPSA-N 478.530 2.314 50 10 JEGE CCCOc1ccc(-c2c(C(=O)NN=Cc3ccc4c(c3)OCO4)nnn2-c2nonc2N)cc1 254763336 ZFHFCVRIFHNNLF-UHFFFAOYSA-N 476.453 2.181 50 10 JEGE CC(=NNC(=O)[C@H]1Cc2ccccc2O1)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)O)cc1 748140463 GDHZQUUOVSRCNY-TZIWHRDSSA-N 471.535 2.158 50 10 JEGE CC(=O)c1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)cc1 1628561493 GLJMMXFARAOJHJ-UHFFFAOYSA-N 451.504 2.443 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC1CC(CCBr)C1 2000539800 BWUGAQRQCSEHJZ-KJBLDROHSA-N 461.353 2.494 50 10 JEGE C[C@H](Br)CN1CCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)CC1 2113860700 GPKCJLMBVXANSR-HNNXBMFYSA-N 486.432 2.040 50 10 JEGE O=S(=O)(Nc1cc(I)cc(I)c1)N1CC(Cl)C1 2246898035 STMRJQUKKIHPIS-UHFFFAOYSA-N 498.511 2.476 50 10 JEGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2cccc(B(O)O)c2C1 2256604470 CLRDIUIYLGOLLA-KRWDZBQOSA-N 470.334 2.178 50 10 JEGE COCCCNC(=O)C(C#N)=Cc1c(N2CCN(c3ccccc3)CC2)nc2ccccn2c1=O 2297461761 TYBWIAYKOGUPQK-UHFFFAOYSA-N 472.549 2.081 50 10 JEGE COc1ccccc1OCC(=O)Oc1ccc(C=C(C#N)C(=O)N2CCOCC2)cc1OC 2314795666 FWBQACUPPBANDO-UHFFFAOYSA-N 452.463 2.454 50 10 JEGE Cc1sc(C(=O)NN)cc1Cn1cnc(I)c1I 380989710 HJROSKJCTCQXKU-UHFFFAOYSA-N 488.092 2.114 50 10 JEGE CCN(C[C@@H]1CCOC1)C(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1ccc(OC)cc1 920850060 AUFFDASBGGHPCC-DAQNXSASSA-N 451.527 2.226 50 10 JEGE CC(=O)c1cccc(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c1 1230563184 ZYBZJMJPQGBUOL-UHFFFAOYSA-N 458.540 2.208 50 10 JEGE COCC[C@]1(NS(=O)(=O)CI)CCCN(C(=O)OC(C)(C)C)C1 1983331343 WHCKOJDUYLSUQE-CQSZACIVSA-N 462.350 2.105 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC[C@H](Br)C1CC1 2000545930 WEOINFLKHPGZJH-MAUKXSAKSA-N 461.353 2.494 50 10 JEGE C[C@@H]1CO[C@H](CBr)CN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2029232429 INKIIKNEUWIVJD-HUUCEWRRSA-N 473.389 2.267 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H]1CCOC[C@@H]1CBr 2072947475 OXVFXEZWDINCQW-WMLDXEAASA-N 473.389 2.172 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CNS(=O)(=O)N3CCC(Br)CC3)C[C@H]21 2140681129 GZHDCXZRJKMMMK-NWANDNLSSA-N 452.415 2.326 50 10 JEGE Cc1sc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)c(B(O)O)c1C 2268653699 QHNVKXIOLOXDIH-MGPUTAFESA-N 476.404 2.160 50 10 JEGE Cc1cc(B(O)O)sc1CN(C)C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2268654743 DAQOUMDVRWTLBP-JXFKEZNVSA-N 476.404 2.193 50 10 JEGE CN(Cc1ccccc1B(O)O)C(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 2319045282 UNYFHYIQMKICAO-UHFFFAOYSA-N 470.334 2.396 50 10 JEGE O=C(NNc1ncnc(NNC(=O)c2ccco2)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 40658651 NSMOUNDYQYPTEL-UHFFFAOYSA-N 462.766 2.053 50 10 JEGE COc1ccc(Br)cc1/C=N/NC(=O)CSc1nnc(-c2ccccc2O)n1N 58990371 PMUYINWLLALBTI-ZVBGSRNCSA-N 477.344 2.378 50 10 JEGE Cc1c(C(=O)NNC(=O)c2ccco2)oc2c1/C(=N/NC(=O)COc1ccccc1)CCC2 101611548 XQSLVQCSTJVMHK-LFVJCYFKSA-N 450.451 2.491 50 10 JEGE O=C(N[C@H](Cc1c[nH]c2ccc(B(O)O)cc12)C(=O)O)OCC1c2ccccc2-c2ccccc21 396538591 YSWJXSJRCAZHJY-XMMPIXPASA-N 470.290 2.382 50 10 JEGE CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1)O[C@H](C)C2 730473532 HOPARDRKPBPGCA-XVGQJIODSA-N 458.536 2.377 50 10 JEGE Nn1c(SCCCC(=O)NN=Cc2ccccc2)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084590182 VSGXYKBDYIIRJH-UHFFFAOYSA-N 470.471 2.498 50 10 JEGE CCOC(=O)CN1C(=O)C(=NNC(=O)COc2ccc(Br)cc2)c2ccccc21 1772752767 VHBWXSLGENNFOS-UHFFFAOYSA-N 460.284 2.258 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H](Br)[C@H](C2CC2)C1 1943031033 RDNQJIXWHTURRM-IRXDYDNUSA-N 455.374 2.498 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1[C@H](CBr)C[C@H]2OCC[C@H]21 2030093996 KXMGCPRPJFVPGX-IAOVAPTHSA-N 471.373 2.019 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H]2COC[C@@]2(CCl)C1 2364209328 RFYIYKVJINTDFJ-IIBYNOLFSA-N 454.976 2.360 50 10 JEGE Cc1ccc(/C=C2\SC(=S)N(CCC(=O)NNC(=O)c3cc(O)c(O)c(O)c3)C2=O)cc1 8766299 ABNAFBTXWXZHIF-PXNMLYILSA-N 473.532 2.164 50 10 JEGE CC(C)Oc1cccc(C(=O)NC(=S)NNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 13623605 ATRCICKAWQCSDX-SFHVURJKSA-N 454.552 2.158 50 10 JEGE CCOC(=O)C1CCN(c2ncnc(NNC(=O)c3ccccc3Br)c2N)CC1 40752605 IWMXOQTYHDOGQO-UHFFFAOYSA-N 463.336 2.358 50 10 JEGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)O)cc2)sc2c1CCCC2 254295447 VCUWWPNLOAEWQB-UHFFFAOYSA-N 473.507 2.356 50 10 JEGE CSc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2-c2ccc([N+](=O)[O-])cc2)cc1 254302387 IHEXKFBTXRPLFY-UHFFFAOYSA-N 465.455 2.294 50 10 JEGE O=C(CNC(=O)OCC1c2ccccc2-c2ccccc21)Nc1cc(F)c(B(O)O)c(F)c1 1901987637 XHTQUQPXYUMVBF-UHFFFAOYSA-N 452.222 2.122 50 10 JEGE C[P@]1(=O)C[C@@H](Br)[C@H](NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 2008547833 XFXBIDDZQREQIH-HMPCPRATSA-N 477.317 2.121 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCOC[C@](C)(CBr)C1 2135099008 ZRUSVKQCDABIJO-RTBURBONSA-N 491.379 2.074 50 10 JEGE CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)c1cn(C)c2ccccc12 10736365 QICRPXVAMSZGKM-KRWDZBQOSA-N 478.571 2.179 50 10 JEGE COc1ccccc1OCC(=O)NC(=S)NNC(=O)c1ccc(C)c(Br)c1 12571721 CQKWPVOEFPVTOG-UHFFFAOYSA-N 452.330 2.481 50 10 JEGE COC(=O)c1cc(Nc2ncnc(NNC(=O)c3ccc(OC)cc3)c2[N+](=O)[O-])cc(C(=O)OC)c1 40594102 HYMRZWMTKLAYEU-UHFFFAOYSA-N 496.436 2.467 50 10 JEGE Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1/C(=N/NC(=O)c1ccncc1)CCC2 101604775 JGBNWWDDTNXYIA-KOEQRZSOSA-N 476.449 2.436 50 10 JEGE COc1ccc(Cn2cccc(C(=O)N/N=C\c3cc([N+](=O)[O-])cc(OC)c3O)c2=O)cc1 169920940 JVAJBJSYZSROKK-FMCGGJTJSA-N 452.423 2.292 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCOC[C@@H]1CCBr 703967646 QUEPYWPONVDMRO-AWEZNQCLSA-N 473.389 2.124 50 10 JEGE Cc1nc(I)c(I)n1C[C@@H](O)CBr 725538323 CDPREHWVTGORHQ-YFKPBYRVSA-N 470.874 2.157 50 10 JEGE C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)NNC(=O)c2cnn[nH]2)ccc1Cl 729455711 VICVEEATOUXFRN-UHFFFAOYSA-N 478.893 2.053 50 10 JEGE Cn1ncc(C(=O)N2C[C@H](Br)C3(CCOCC3)C2)c1I 2174366664 YCCPPQAMVMBNLQ-JTQLQIEISA-N 454.106 2.041 50 10 JEGE Cc1cc(Cl)c(B(O)O)cc1NC(=O)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2268642037 DFXNZBUKHSNJOE-HXUWFJFHSA-N 475.782 2.292 50 10 JEGE COc1cc(C(=O)NC(=S)NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc(OC)c1OC 12569926 GKVAPZLDMMNDRF-UHFFFAOYSA-N 468.875 2.223 50 10 JEGE COc1ccc(CC(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2C)cc1 13976281 QOFPTBVKIAUZBY-UHFFFAOYSA-N 466.357 2.410 50 10 JEGE COC(=O)c1cc(OC)c(OC)cc1N/C=C1/C(=O)N(C[C@@H]2CCCO2)C(=O)C(C#N)=C1C 102675889 ISJXHRNRWSLMLY-MPMPPSQCSA-N 455.467 2.174 50 10 JEGE COc1cc(C=NNC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc(OC)c1OC 1084118355 WDRBJWKEEBDXIX-UHFFFAOYSA-N 455.920 2.282 50 10 JEGE CC(=NNc1nc(SCC(=O)NNC(=O)c2ccc(F)cc2)n[nH]1)c1ccc2c(c1)OCO2 1084423072 CKKDXDHZFVNKQB-UHFFFAOYSA-N 471.474 2.062 50 10 JEGE O=C(CN(c1cccnc1)S(=O)(=O)c1ccccc1)NN=Cc1cccc2c1OCCO2 1084600591 YEXBCFVWDOMLRS-UHFFFAOYSA-N 452.492 2.198 50 10 JEGE O=C(NS(=O)(=O)c1ccc(CCNC(=O)N2CCCC2)cc1)Oc1ccc([N+](=O)[O-])cc1 1859006532 FEVHQCCHDKWRQT-UHFFFAOYSA-N 462.484 2.420 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](CBr)OCC12CC2 2127540674 FEKPGZPPUGRAJD-CQSZACIVSA-N 485.400 2.267 50 10 JEGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)c1ccc(B(O)O)cc1 2248402396 WLEXJNBUJZEUCM-IAGOWNOFSA-N 458.323 2.471 50 10 JEGE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@@H](B(O)O)C2)cc1I 2319676230 CLSBFVHHXAIPIK-LLVKDONJSA-N 460.077 2.327 50 10 JEGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=S)NC(=O)COc2ccc([N+](=O)[O-])cc2)c1 12572512 CEYZAMIFKGAWDF-UHFFFAOYSA-N 473.511 2.031 50 10 JEGE COC(=O)CC1=C(C(=O)OC)[C@@]2(C(=O)N(Cc3ccccc3)c3ccccc32)C(C#N)=C(N)O1 20071533 RVAFRNSLESVTGA-VWLOTQADSA-N 459.458 2.185 50 10 JEGE Cc1ccc(N2C(=O)[C@H](/C=N/NC(=O)CC[C@@H](O)c3ccccc3)C(=O)NC2=S)cc1C 100101869 BJMWVUCVEIUKDT-XELNPYELSA-N 452.536 2.283 50 10 JEGE C[C@H](NC(=O)/C(C#N)=C\N(CCN(C)C)[C@@H]1CCS(=O)(=O)C1)C12CC3CC(CC(C3)C1)C2 217047305 KQXQFYQAQXQWTN-FFWXXHMZSA-N 462.660 2.166 50 10 JEGE O=C(CNC(=O)c1cccs1)NN=C1C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21 254401362 DDIPSXLYKSWLNF-UHFFFAOYSA-N 462.487 2.274 50 10 JEGE O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)NN=Cc1ccc(F)cc1 254572828 JTPILNYSUPRWRH-UHFFFAOYSA-N 483.363 2.045 50 10 JEGE CCOc1cc(C=NNC(=O)CSc2nnc(N)s2)ccc1OCC(=O)N(CC)CC 256028580 WEWKBINBOFXXKV-UHFFFAOYSA-N 466.589 2.009 50 10 JEGE CC(C)[C@H](Oc1ccccc1C#N)C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 728215423 DYMWTXBXERKTHK-QFIPXVFZSA-N 471.583 2.041 50 10 JEGE CC(=O)N[C@@H](C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F)c1cccc(Br)c1 1521183504 KAYSVVMEQPJTFV-PIGZYNQJSA-N 452.280 2.380 50 10 JEGE C#C[C@H](NC(=O)NNC(=O)c1ccc(NS(=O)(=O)c2ccc(OCC)cc2)cc1)C(C)C 1673335341 NJNPYRUYKWUDOL-FQEVSTJZSA-N 458.540 2.488 50 10 JEGE O=C(C=Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)c1cc2c(s1)CCCC2 2059876325 ROOMFLYTLKJJPR-UHFFFAOYSA-N 475.592 2.122 50 10 JEGE O=C1CC[C@@H](N2C(=O)c3cccc(NCCCCCCI)c3C2=O)C(=O)N1 2113674337 CHBAHGACRCLCHF-CQSZACIVSA-N 483.306 2.495 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@H](NS(=O)(=O)c2ccc(CBr)cc2)C1 2172898171 BNRPZGBXWQQBBG-GOEBONIOSA-N 463.394 2.478 50 10 JEGE O=C(NC1(C(=O)NCc2cccc(B(O)O)c2)CC1)OCC1c2ccccc2-c2ccccc21 2302691439 RFQVZYBHAHATET-UHFFFAOYSA-N 456.307 2.054 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H]1CCCN(CCCl)C1 2364215815 LCAPTECYXRYQDE-QGZVFWFLSA-N 456.008 2.466 50 10 JEGE Cc1ccc(N(CC(=O)NN=Cc2cc3c(cc2Br)OCO3)S(C)(=O)=O)cc1 1084193190 YERSBTNFCNUULV-UHFFFAOYSA-N 468.329 2.403 50 10 JEGE CC(=O)[C@@H]1CC(C(=O)NNC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)=NN1c1ccccc1 1449364633 WCUAFROXHHDYRU-LPHOPBHVSA-N 457.531 2.005 50 10 JEGE C[C@@]1(NS(=O)(=O)CI)CCCN(C(=O)OCc2ccccc2)C1 1881750283 SCWVARVWJFNGLS-OAHLLOKOSA-N 452.314 2.490 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](F)C[C@@H](Br)C1 2213908292 SXRKEXPNYZDSLQ-PEBVRCNWSA-N 465.316 2.148 50 10 JEGE COCCN(C[C@@H](C)Br)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2250572024 UWOOOUWPNOISQT-CQSZACIVSA-N 461.378 2.124 50 10 JEGE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCSSCCNC(=O)OC(C)(C)C)n1 2267483464 SMUCILJROUGVOS-UHFFFAOYSA-N 486.469 2.355 50 10 JEGE CC(C)(C)OC(=O)N(CCCC(=O)N1CCc2cccc(B(O)O)c2C1)Cc1ccccc1 2268608754 IXGTYBPWGLWONX-UHFFFAOYSA-N 452.360 2.469 50 10 JEGE COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc([N+](=O)[O-])cc1 9696121 VZPXEFXUBJDEFI-UHFFFAOYSA-N 483.300 2.080 50 10 JEGE O=C(NNc1ncnc(NNC(=O)c2cccc([N+](=O)[O-])c2)c1[N+](=O)[O-])c1cccc(Cl)c1 40658416 MESMWSVCDDMBOB-UHFFFAOYSA-N 472.805 2.460 50 10 JEGE COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)Cc3cccc(O)c3)c2)cc1 725879280 FUZSUFXIILYKPV-UHFFFAOYSA-N 455.492 2.205 50 10 JEGE Cc1ccc(S(=O)(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1860770716 UGCAFMJMCUXFJX-KBPBESRZSA-N 460.581 2.462 50 10 JEGE C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C(=O)OC)[C@H](OC(C)=O)[C@H](OC(=O)[C@](C)(O)[C@H](C)Cl)[C@H]12 2333325338 BQXRLMULBZGQJI-MKTSPKNASA-N 484.929 2.146 50 10 JEGE Cc1c(C(=O)NNC(=O)COc2ccccc2)oc2c1/C(=N/NC(=O)c1ccccn1)CCC2 101606035 HFLGPUQVBGMZEL-YZSQISJMSA-N 461.478 2.293 50 10 JEGE CC(=NNC(=O)[C@H]1Cc2ccccc2O1)c1ccc(S(=O)(=O)N2CCC(C(=O)O)CC2)cc1 748148537 ORCYZKYHHJRSLN-OAQYLSRUSA-N 471.535 2.016 50 10 JEGE O=C(CC[C@@H](O)c1ccccc1)NN=C[C@@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O 1084342453 UGPUPONUHBMYRJ-IAGOWNOFSA-N 458.927 2.320 50 10 JEGE CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1 1860770486 KJHZXMQNJYTZTM-UHFFFAOYSA-N 497.558 2.093 50 10 JEGE C[C@@H](Br)[C@H](NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)C(F)(F)F 1990686335 MAZJTOGCDDBFQT-SKDRFNHKSA-N 457.268 2.306 50 10 JEGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H](C)c1cscc1B(O)O 2268656343 WEXQOSFUXXRHHO-GQIGUUNPSA-N 476.404 2.446 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCN(CCBr)CC1 2338849671 KRCFPOONXRBNKP-UHFFFAOYSA-N 486.432 2.185 50 10 JEGE COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(\C)NNC(=O)c1cc(OC)cc(OC)c1 205944444 FVNWLQZZJQTFSX-FYJGNVAPSA-N 497.464 2.086 50 10 JEGE CC(=NNC(=O)c1ccccc1Br)c1ccc(S(=O)(=O)NCCC(=O)O)cc1 916247616 MVZSIKPPCLGUQN-UHFFFAOYSA-N 468.329 2.356 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H]1C[C@@H](CBr)CO1 2039815934 JKPSDFZQIYNRIH-KBPBESRZSA-N 473.389 2.028 50 10 JEGE CC(C)(C)OC(=O)N[C@H]1C[C@H]2CN(CCCCCI)CCN2C1=O 2214707757 FWSNJEZUOKHIDD-KBPBESRZSA-N 451.349 2.402 50 10 JEGE O=C(NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1)c1cccc(Cl)c1B(O)O 2267934169 WFOQOILGHHNQFS-UHFFFAOYSA-N 464.758 2.221 50 10 JEGE Cn1cc(C(=O)NNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c2ccccc21 10736891 PJCYLVDBVQBMQL-HNNXBMFYSA-N 458.515 2.179 50 10 JEGE O=C(Cc1nnc(NC(=O)c2ccccc2)s1)N/N=C/c1cc2c(c([N+](=O)[O-])c1)OCO2 33921819 ZKGGXOXURVOLQW-AWQFTUOYSA-N 454.424 2.120 50 10 JEGE CCc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN(C)C2CCCCC2)cc1 254790386 KJWXJLAIXLWTCD-UHFFFAOYSA-N 451.535 2.323 50 10 JEGE CC(=O)N[C@@](C)(C(=O)NNc1ncnc(Cl)c1C(C)C)c1ccc(S(C)(=O)=O)cc1 1451456024 SXCFKRZVDYHBHF-LJQANCHMSA-N 453.952 2.152 50 10 JEGE CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NNC(=O)c3ccc(C)o3)cc2)cc1 1465591955 MBJMUSNLVIRKNK-UHFFFAOYSA-N 455.492 2.344 50 10 JEGE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNCC(F)(F)C(F)(F)F)CC2)cc1 1643119511 OBJUWLCHNCIETC-UHFFFAOYSA-N 457.421 2.108 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@@H](CBr)C[C@H]1CCCO1 1926760796 RGYNQEFNEKAPLS-HUUCEWRRSA-N 473.389 2.315 50 10 JEGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 109900978 DXDNQTZPVPEQEC-XQNSMLJCSA-N 492.557 2.412 50 10 JEGE COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccc([N+](=O)[O-])cc1 207213654 XDVOGHKNYGXJQJ-ATVHPVEESA-N 467.434 2.354 50 10 JEGE COc1ccc(N([C@@H](C)C(=O)NN=Cc2ccc(OC3CSC3)cc2)S(C)(=O)=O)cc1 252622420 NUXRWXJRAFXJDC-HNNXBMFYSA-N 463.581 2.494 50 10 JEGE Cc1cccc(NC(=O)C(=O)NN=C2C(=O)N(CC(=O)Nc3ccccc3)c3ccccc32)c1 254301465 NCJYQKINQFJJKM-UHFFFAOYSA-N 455.474 2.439 50 10 JEGE CC[C@@H](C)N1C(=O)c2ccc(C(=O)NNC(=O)c3sc(-c4cnccn4)nc3C)cc2C1=O 1865757561 JEJKOQMASSDQOH-LLVKDONJSA-N 464.507 2.378 50 10 JEGE C[C@@H]1CN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@@H](CCBr)O1 2122787400 DIZJCUVKGOSBDE-LPMFXHHGSA-N 491.379 2.215 50 10 JEGE C[C@H](NC(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(B(O)O)cc1 2248884045 WOIUEPAJQYVQAE-KRWDZBQOSA-N 458.323 2.472 50 10 JEGE N#CC(=Cc1c(N2CCN(c3ccccc3)CC2)nc2ccccn2c1=O)C(=O)NC[C@H]1CCCO1 2296846624 HFHNPYZKVIHTBC-JOCHJYFZSA-N 484.560 2.223 50 10 JEGE CCOC(=O)c1c2c(n(C)c1CN(C)C)C(=O)C(=NNC(N)=O)c1ccc(Br)cc1-2 2297727387 BLKLDLGNKQQCBX-UHFFFAOYSA-N 476.331 2.262 50 10 JEGE Cc1ccc(C(=O)NC(=S)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1I 13977104 QRLLCJKBYJRLEA-UHFFFAOYSA-N 484.275 2.457 50 10 JEGE O=C(c1ccc(I)c(O)c1)N1CCN2C[C@@H](Br)C[C@@H]2C1 405290626 ZUIVVWOWUXWYGY-WDEREUQCSA-N 451.102 2.290 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@H](CBr)C(F)(F)F 1937309186 CMSLXIQRUYCEGT-GFCCVEGCSA-N 457.268 2.308 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CC(F)(F)C[C@@H]1CBr 1976197142 HDAKOGWEEVQEII-LLVKDONJSA-N 451.289 2.107 50 10 JEGE C[C@@H]1C[C@H](Br)CN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2000534521 WDTBHXKSAJTHIV-FHSNZYRGSA-N 461.353 2.446 50 10 JEGE O=S(=O)(N1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1)N1CCCC[C@H]1CBr 2179816102 IOQPUXQFYSRAAF-OTWHNJEPSA-N 458.422 2.066 50 10 JEGE Cn1cc(S(=O)(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)cc1CBr 2179816239 QTAHNIHWILHJKC-MOPGFXCFSA-N 454.390 2.194 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC(OCCCCl)CC1 2207517304 OGGXAVBVBBOEKM-FQEVSTJZSA-N 460.955 2.451 50 10 JEGE COc1cc(C=C(C#N)c2nn(CCO)c(N)c2C#N)ccc1OS(=O)(=O)c1ccc(F)cc1 2295157376 QMGOPEMOOBZCSV-UHFFFAOYSA-N 483.481 2.309 50 10 JEGE O=C(O)[C@H](CBr)NS(=O)(=O)c1cc(Br)ccc1Br 2320233617 YCMUAIMAHAYENE-ZETCQYMHSA-N 465.945 2.338 50 10 JEGE COc1ccc(C(=O)NC(=S)NNC(=O)CCC(=O)NCc2ccccc2)cc1Br 12570451 UQPIYODWIOEWCI-UHFFFAOYSA-N 493.383 2.190 50 10 JEGE O=C(N[C@H]1CS(=O)(=O)C[C@@H]1Cl)c1cc(Br)ccc1I 236035853 ZTIJBZQYHNYQPM-WPRPVWTQSA-N 478.533 2.188 50 10 JEGE CC(=O)N[C@H](C(=O)NNC(=O)[C@@H](C)Oc1ccccc1F)c1cccc(Br)c1 1521183502 KAYSVVMEQPJTFV-DIFFPNOSSA-N 452.280 2.380 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@@H](CBr)CC(F)F 1936748540 IZQMYGPOMJNUGE-LLVKDONJSA-N 453.305 2.401 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC2(CC(CBr)C2)C1 2066484587 BVZUAVBTZKULGJ-SFHVURJKSA-N 473.364 2.448 50 10 JEGE CC(C)(C)OC(=O)N1CCN(CCCCCI)[C@H]2CS(=O)(=O)C[C@@H]21 2214697466 QHSSHPIGTBSALJ-KBPBESRZSA-N 472.389 2.310 50 10 JEGE COC[C@@]1(CBr)C=CCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2351690306 LCGWEZRQEYKOST-FQEVSTJZSA-N 485.400 2.291 50 10 JEGE COc1cc(C=NNC(=O)Cc2cn3ccsc3n2)cc(Br)c1OCC(=O)N(C)C 254375637 BVFLPIJEVDCYQY-UHFFFAOYSA-N 494.371 2.327 50 10 JEGE Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cc(F)ccc2Br)cc1C 728549664 QHJUCPRAXRHPGU-UHFFFAOYSA-N 472.336 2.287 50 10 JEGE COc1cc(C=NNC(=O)Cn2nnc(-c3ccccc3)n2)ccc1OC(=O)c1cccnc1 915907194 DUGZUIZRQDLNEX-UHFFFAOYSA-N 457.450 2.113 50 10 JEGE CN(CCS(C)(=O)=O)S(=O)(=O)c1cc(CBr)sc1Br 2123201616 ZDXYQQIHOVUMNG-UHFFFAOYSA-N 455.215 2.071 50 10 JEGE CSCC[C@@H](C(=O)NNC(=O)c1cn(C)c2ccccc12)N1C(=O)c2ccccc2C1=O 10736623 NZULODKAMPWMDZ-IBGZPJMESA-N 450.520 2.357 50 10 JEGE COC(=O)c1ccc(/C=N/NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(N(C)C)cc2)cc1 59384730 FTXXXOQIIRJKHU-AFEQLLIESA-N 451.552 2.482 50 10 JEGE CC(C)NC(=O)COc1ccc(C=NNC(=O)C(=O)Nc2ccccc2Br)cc1 1084284979 PEBJGINFFQJJFF-UHFFFAOYSA-N 461.316 2.441 50 10 JEGE CCN(CC)c1c(C=NNc2nc(S[C@H](C)C(=O)NNC(C)=O)n[nH]2)c(C)nn1-c1ccccc1 1084443813 LHVWDCXVEQCFPL-OAHLLOKOSA-N 498.617 2.239 50 10 JEGE COc1ccc2c(c1)C(=NNC(=O)CCNC(=O)c1ccccc1Br)C(=O)N2C 1772720908 WYFNYGAGNSOEBS-UHFFFAOYSA-N 459.300 2.075 50 10 JEGE CCc1ccc(S(=O)(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 1860770496 KUWJCFYTIXXXQF-CYBMUJFWSA-N 460.581 2.470 50 10 JEGE O=C(Cn1c(O)nc2ccccc2c1=O)N/N=C/c1cc(Br)c(O)c(Br)c1 1873792371 FJCGAGHEBKICHI-IFRROFPPSA-N 496.115 2.483 50 10 JEGE CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)CI)CC2(CCOCC2)C1 2007719060 HRWPRTPWKMUPTG-LBPRGKRZSA-N 474.361 2.105 50 10 JEGE CC[C@@]1(CBr)COCCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2112705861 OHNWRFIWNRUEKH-RBUKOAKNSA-N 491.379 2.217 50 10 JEGE C[C@H](c1cscc1B(O)O)N(C)C(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21 2243685133 NQZRGPIHZADANO-OAHLLOKOSA-N 464.352 2.486 50 10 JEGE O=C(NCCC(=O)N1CCc2ccc(B(O)O)cc21)OCC1c2ccccc2-c2ccccc21 2248889918 VEXTZJQWOQANJW-UHFFFAOYSA-N 456.307 2.184 50 10 JEGE N#CC(=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)Nc1ccc(N)cc1 2324155715 DVUVCRRIMRHPGA-UHFFFAOYSA-N 461.931 2.401 50 10 JEGE N#CC(=CN1CCN(Cc2ccc3c(c2)OCO3)CC1)C(=O)N1CCN(c2ccc(F)cc2)CC1 2325282010 CYQJEQYHNDJIBH-UHFFFAOYSA-N 477.540 2.428 50 10 JEGE CCOC(=O)c1ccc(OCC(=O)N/N=C(/S)NC(=O)/C=C\c2ccc(OC)cc2)cc1 33566426 BJPCQECQANIOOR-MLPAPPSSSA-N 457.508 2.397 50 10 JEGE CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1 726276672 BXUDPJDULXZPHQ-OAQYLSRUSA-N 485.560 2.291 50 10 JEGE C[C@@H](Br)[C@H]1CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)CCO1 2053852144 XCYQOXBJCBKJKV-CZUORRHYSA-N 473.389 2.123 50 10 JEGE Cc1cc(CNC(=O)CCNC(=O)OCC2c3ccccc3-c3ccccc32)ccc1B(O)O 2251328601 SXDDIZOZCLLSAB-UHFFFAOYSA-N 458.323 2.220 50 10 JEGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CCc3c[nH]c4ccccc34)C2)C1 1872962614 UYIJNXMAUDGNLE-WOJBJXKFSA-N 474.565 2.336 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC=C[C@]1(C)CBr 2215694307 VQDCJDZSQPONOP-QZTJIDSGSA-N 459.337 2.366 50 10 JEGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(O[C@@H]2CCN(S(C)(=O)=O)C2)C1 2257827895 AWRJPGOZQMRRTH-CJNGLKHVSA-N 488.388 2.242 50 10 JEGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(S(=O)(=O)O)o2)cc1OC 2297730785 JZZOHDRLBXHYEH-UHFFFAOYSA-N 499.501 2.465 50 10 JEGE CN(C)CCn1cc(NC(=O)/C(C#N)=C/c2cn(CCC(N)=O)nc2-c2ccc(Cl)cc2)cn1 726943569 QAJVCHPWIGEJRK-GZTJUZNOSA-N 480.960 2.383 50 10 JEGE Cc1sc(C(=O)N(OCc2ccccc2)C2CN(C(=O)OC(C)(C)C)C2)c(C)c1B(O)O 2255790524 ZEDLZYBHNPUNIA-UHFFFAOYSA-N 460.361 2.238 50 10 JEGE Cc1csc(CNC(=O)[C@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)c1B(O)O 2283991218 PJXCOKAUXNUJDT-XMMPIXPASA-N 488.415 2.197 50 10 JEGE CN(C)[C@@H]1CN(C(=O)c2c(Br)c(Br)nn2C)C[C@H]1Br 2338673548 MHLFCDIECFBQMQ-RNFRBKRXSA-N 458.980 2.095 50 10 JEGE COc1ccc(Cn2cccc(C(=O)N/N=C\c3cc(O)c(OC)cc3[N+](=O)[O-])c2=O)cc1 169921010 KNNCPXQVKOLZNW-FMCGGJTJSA-N 452.423 2.292 50 10 JEGE COc1cccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)NCc3ccccc3)cc2)c1 1083910975 NYAMCBWEQSDDIZ-UHFFFAOYSA-N 460.490 2.479 50 10 JEGE CCCCc1nc(CC(=O)NNS(=O)(=O)c2cc(N3CCCC3=O)ccc2OC)cs1 1860405115 BVIRGUDKXWVJIX-UHFFFAOYSA-N 466.585 2.173 50 10 JEGE CCOc1ccc(OCC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1860769716 FPTUHDZPVGHJGQ-AWEZNQCLSA-N 470.551 2.208 50 10 JEGE COc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)c1 1860772357 WQTROQYLGVSLEI-NSHDSACASA-N 471.495 2.276 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@@H](C2CN(S(=O)(=O)N3CCC(Br)CC3)C2)C1 1886842817 JJVNJDGFSBZSMW-CYBMUJFWSA-N 452.415 2.279 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCCC(F)(F)CBr 2012620382 QNOYFKUZDDUQRD-OAHLLOKOSA-N 471.295 2.351 50 10 JEGE COc1cc(C(=O)NC(=S)NNC(=O)CCC(=O)Nc2ccccc2Cl)cc(OC)c1OC 12569891 LPXJRIBNVPSTSC-UHFFFAOYSA-N 494.957 2.420 50 10 JEGE COCCOc1ccc(C(=O)NNC(=O)CCC(=O)NCc2ccccc2)cc1Br 14661489 XRDVXELLGUVDLE-UHFFFAOYSA-N 478.343 2.332 50 10 JEGE COc1ccc(OC)c(C=NNc2nc(SCC(=O)NNC(=O)c3ccc(Cl)cc3)n[nH]2)c1 1084553136 LVHGVWXVZCSREA-UHFFFAOYSA-N 489.945 2.475 50 10 JEGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@@H](O)C1 1990035139 OZJNKUMASOCSOQ-XVDXERDNSA-N 465.638 2.427 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)N2CCC(Br)CC2)[C@@H]2CC[C@H]21 2121238405 UDTHEDNZYRFANI-SOUVJXGZSA-N 452.415 2.468 50 10 JEGE C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)c3cn(C)c4ccccc34)c2)C[C@@H](C)O1 15093043 OBBUYMYRFSZDFV-IYBDPMFKSA-N 470.551 2.051 50 10 JEGE C/C(=N\Nc1nc(SCC(=O)NNC(=O)c2ccccc2)n[nH]1)c1ccc([N+](=O)[O-])cc1 59817550 IREPYFQXBBXABL-CIAFOILYSA-N 454.472 2.102 50 10 JEGE Cn1nc(C(=O)NNC(=O)C2CCN(c3nc4ccccc4s3)CC2)c2ccccc2c1=O 727365661 WFNKSSIKBSPKSU-UHFFFAOYSA-N 462.535 2.221 50 10 JEGE CC(=NNC(=O)CN1CCCc2ccccc21)c1ccc(S(=O)(=O)N2CCOCC2)cc1 916309172 ASVZZBVUMGKCNF-UHFFFAOYSA-N 456.568 2.001 50 10 JEGE COc1cc(C(=O)NNC(=O)CCCNC(=O)c2cccc([N+](=O)[O-])c2)cc(Br)c1O 34982070 ALJNDWFRJGGADN-UHFFFAOYSA-N 495.286 2.043 50 10 JEGE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNc3cc(Cl)ccc3C)cc2)CC1 1558662761 OQVOPJBSAHCFFU-UHFFFAOYSA-N 450.948 2.258 50 10 JEGE CC(=O)[C@@H]1CC(C(=O)NNc2ccccc2S(=O)(=O)NC(C)(C)C)=NN1c1ccccc1 1636802874 BWRZMQDBKAFSCC-IBGZPJMESA-N 457.556 2.430 50 10 JEGE CC1(C)CO[C@H](CBr)CN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2048619920 WEXKMROMZIHLGO-CQSZACIVSA-N 473.389 2.267 50 10 JEGE CC1(C)[C@@H](CBr)OCCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2108231603 RDTQDYQKDKPBRF-BEFAXECRSA-N 491.379 2.215 50 10 JEGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@H](Br)[C@@H]2COC[C@H]21 2338861610 SCFCHTQPBDQDBK-LYFYHCNISA-N 457.948 2.179 50 10 JEGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)ccc1Cl 13979799 APKUSNDUSOPBAL-UHFFFAOYSA-N 467.847 2.179 50 10 JEGE CCOC(=O)c1sc2ncnc(NNC(=O)CCN3C(=O)c4ccccc4C3=O)c2c1C 96469899 WPEOELNINLHYDA-UHFFFAOYSA-N 453.480 2.306 50 10 JEGE CO[C@@H]1CC(=O)[C@]23C(=O)N[C@H](CC(C)C)[C@@H]2C(C)=C(C)[C@H](OO)[C@@H]3C=C(C)CC[C@@H](O)[C@H]1O 585660693 FCNYTFYALYEECS-SIOOWFMUSA-N 465.587 2.394 50 10 JEGE biogenic O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H]2CC[C@H](Br)[C@H]2C1 1942098330 NDKMRVVDDDQJTF-COXVUDFISA-N 455.374 2.498 50 10 JEGE O=C(CCNC(=O)OCC1c2ccccc2-c2ccccc21)Nc1nc(B(O)O)ccc1Cl 2243915324 HEHVEMLXJBBDCN-UHFFFAOYSA-N 465.702 2.282 50 10 JEGE CN(C)S(=O)(=O)c1ccc(C(=O)NC2=N/C(=C(/C#N)C(=O)N3CCCCC3)c3ccccc32)cc1 2631235 GBLRFRTZBRSNQC-DQRAZIAOSA-N 491.573 2.374 50 10 JEGE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)/C(C#N)=C\c2cc(C)n([C@@H](C)COC)c2C)CC1 727742970 LMNWAWLDOUIXNL-UQRWVXEISA-N 499.637 2.476 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@H](CBr)C[C@@H]1CCOC1 2074894822 DXILQZRXDVFCNW-GJZGRUSLSA-N 473.389 2.172 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCCN(CCBr)CC1 2089708352 YPXYMPNKPFTOKR-UHFFFAOYSA-N 486.432 2.185 50 10 JEGE Cc1csc(CN(C)C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc2ccccc2)c1B(O)O 2268634871 LBZYANKZKZUCNU-UZLBHIALSA-N 476.404 2.193 50 10 JEGE O=C(Cn1nc2ccccc2n1)NNC=C1C=C(Br)C(=O)C(Br)=C1 33913046 PBAJFFSBUQFTBX-UHFFFAOYSA-N 453.094 2.076 50 10 JEGE O=C(NNc1ncnc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1[N+](=O)[O-])c1ccccc1 40657331 FMOBWJMQEGLFJJ-UHFFFAOYSA-N 477.481 2.193 50 10 JEGE Cc1c(C(=O)NN2CCN(C)CC2)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 40825716 ACSFEVCLWRMFSO-ZXVVBBHZSA-N 460.538 2.499 50 10 JEGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NC[C@@H]2CCN(C(C)C)C2)cc1 749598276 HZHGFVQMYLWODT-TYJAPOHBSA-N 464.570 2.188 50 10 JEGE O=C(N/N=C1\[C@H]2OC[C@H](O2)[C@@H]2[C@H](C(=O)c3cccs3)[C@H]12)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1565535016 OZCNKKYIDMVWOO-FQSZYPQSSA-N 458.408 2.151 50 10 JEGE CC(C)(C)OC(=O)NC[C@H]1C[C@H]([S@@](C)(=O)=NS(=O)(=O)N2CCC(Br)CC2)C1 2192627653 VBXMXMJTQQXRKY-HGXPUBCKSA-N 488.470 2.492 50 10 JEGE O=C(N/N=C/c1ccc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)cc1)[C@H]1COc2ccccc2O1 3171359 XXMKVVMWWGHMMI-WCANLXLFSA-N 486.484 2.267 50 10 JEGE COc1ccc(C(=O)NC(=S)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1Br 12570319 XVYYCGOSBKTXBF-UHFFFAOYSA-N 453.274 2.315 50 10 JEGE CC[C@@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1 13630304 GFRPQDVFKWKEPS-GDBMZVCRSA-N 458.540 2.141 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCC(F)(F)[C@H](CBr)C1 703958212 NEJFOSZZDINFKT-GFCCVEGCSA-N 465.316 2.355 50 10 JEGE Cc1cccc(C(=O)Nc2nnc(CC(=O)NN=Cc3cc4c(cc3[N+](=O)[O-])OCO4)s2)c1 1084083929 FLCBJRLVFNTNNL-UHFFFAOYSA-N 468.451 2.429 50 10 JEGE CC(F)(F)C[C@H](CBr)NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 1980635502 QNJUCFQXVSXIHT-LLVKDONJSA-N 453.305 2.401 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H]1C[C@H](CBr)CO1 2039815935 JKPSDFZQIYNRIH-KGLIPLIRSA-N 473.389 2.028 50 10 JEGE C[C@H](C[S@](C)(=O)=NS(=O)(=O)N1CCC(Br)CC1)NC(=O)OC(C)(C)C 2044694596 WPBHTEAYSZIMDR-JNDILOIQSA-N 462.432 2.102 50 10 JEGE CC(C)(CNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O)OCCBr 2046027362 BJZCIXVXOXKZGT-GOSISDBHSA-N 479.368 2.120 50 10 JEGE Cc1sc(CNC(=O)C[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)c(B(O)O)c1C 2268701869 SDFRCPPXQPWOND-GOSISDBHSA-N 476.404 2.161 50 10 JEGE Cc1ccc(C(=O)NC(=S)NNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1Br 13623403 JNKLHSHOQHDTLK-MRXNPFEDSA-N 489.395 2.442 50 10 JEGE COc1ccccc1C(=O)NN=C1C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 1084081779 WESLTMVHOUOUIP-UHFFFAOYSA-N 468.469 2.472 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1C[C@@H](CCBr)C1 2021790544 BWUGAQRQCSEHJZ-FHSNZYRGSA-N 461.353 2.494 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H]1CC[C@H](CBr)CO1 2264703469 IPCMVQQXIQEPIF-CABCVRRESA-N 487.416 2.418 50 10 JEGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 2314785971 XVTSTTDZTGTUIJ-UHFFFAOYSA-N 461.474 2.338 50 10 JEGE CCOc1cc(C=NNC(=O)c2nnn(-c3nonc3N)c2C)ccc1OCc1cccc(F)c1 254696983 HRSDVWYPDDJLHJ-UHFFFAOYSA-N 480.460 2.422 50 10 JEGE CCN(CC)c1ccc(C=NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c(O)c1 254845413 URVWYKXOGFNAIL-UHFFFAOYSA-N 487.626 2.003 50 10 JEGE COc1cc(Br)c2c3c1O[C@@H]1C(=O)[C@H](Br)C[C@@]4(O)[C@@H](C2)N(C)CC[C@]314 504710746 JOIWBECPBKCGJU-CMSNHIMVSA-N 473.161 2.184 50 10 JEGE CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)NNC(=O)c2cn(C)c3ccccc23)s1 729220884 DMQDBMWIUCFITD-UHFFFAOYSA-N 477.612 2.457 50 10 JEGE COc1cccc(C=NNC(=O)CSc2nnc(-c3ccc(Br)cc3)n2N)c1O 1084119157 WIZNAMFQTWSUEQ-UHFFFAOYSA-N 477.344 2.378 50 10 JEGE Cc1c(C(=O)NNC(=O)COc2ccccc2)oc2c1C(=NNS(=O)(=O)c1ccccc1)CCC2 1772748494 KXQKDMXBDAZETA-UHFFFAOYSA-N 496.545 2.447 50 10 JEGE CC(C)(C)OC(=O)NCCCC[S@](C)(=O)=NS(=O)(=O)CI 1884479092 FBCLBYWNHAZPGL-FQEVSTJZSA-N 454.352 2.111 50 10 JEGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 1993237318 VJKHLLRKVJDLRH-ZIAGYGMSSA-N 465.638 2.379 50 10 JEGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 2296718563 XDFIBOOZYPDVFP-GOSISDBHSA-N 478.530 2.314 50 10 JEGE N#C/C(=C/c1c(N2CCN(c3ccccc3)CC2)nc2ccccn2c1=O)C(=O)NC[C@H]1CCCO1 33934498 HFHNPYZKVIHTBC-XPUAKXTGSA-N 484.560 2.223 50 10 JEGE O=C(COc1ccc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)cc1)N1CCOCC1 254711751 SJEIROASLSHKRV-UHFFFAOYSA-N 473.529 2.310 50 10 JEGE Nc1nonc1-n1nnc(C(=O)NN=Cc2ccccc2)c1CN1CCC(Cc2ccccc2)CC1 254865148 VZWNZPXGJRFQDD-UHFFFAOYSA-N 485.552 2.451 50 10 JEGE CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)Oc3ccc([N+](=O)[O-])cc3F)CC2)cc1 1858628543 APFABKAXUJCITD-UHFFFAOYSA-N 466.447 2.198 50 10 JEGE COc1ccc([C@H](C)N2C[C@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1 1872960580 FFPZQPJODCCFCL-YSIASYRMSA-N 465.554 2.382 50 10 JEGE COC(=O)[C@H](Br)Cn1c(C)nc(I)c1I 1928099207 UOSCVPWMHZOVIX-RXMQYKEDSA-N 498.884 2.337 50 10 JEGE OB(O)c1cc(Br)cnc1NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2217200427 SWMGZYIWXGEFID-UHFFFAOYSA-N 482.187 2.407 50 10 JEGE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)NCc1sc(Cl)cc1B(O)O 2320685726 DVENHXIVVVMJPF-HNNXBMFYSA-N 482.795 2.198 50 10 JEGE Cn1cc(C(=O)NNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c2ccccc21 10736890 PJCYLVDBVQBMQL-OAHLLOKOSA-N 458.515 2.179 50 10 JEGE O=C(/C=C/c1ccc(Cl)cc1)NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 13623637 QBXMBMZKCZQCSI-YRYLYKBFSA-N 456.955 2.424 50 10 JEGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1 14657236 NMKZMKIMGPAWCF-UHFFFAOYSA-N 456.524 2.010 50 10 JEGE CCn1c(=O)c2ccccc2n(CC(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)c1=O 17200665 HABSZFHMACVNDG-UHFFFAOYSA-N 490.491 2.362 50 10 JEGE O=C1NCCC[C@H]1C(=O)NN=C1C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 1084337970 IAXWDMGMVYSSGA-MRXNPFEDSA-N 469.339 2.385 50 10 JEGE C=CCONC(=O)NNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2OC)c1 1682581420 WVJWSGJUCINMPR-UHFFFAOYSA-N 454.892 2.211 50 10 JEGE CC(C)(C)OC(=O)NC[C@H]1C[C@](F)(CNS(=O)(=O)N2CCC(Br)CC2)C1 2115646535 ZYBPDAZPJRDRNQ-DRQUAOQDSA-N 458.394 2.323 50 10 JEGE CC[C@@H](C)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NNC(=O)c1cc2c(s1)CCC2 39975550 HVDNNHCKEMQHTG-KZULUSFZSA-N 460.581 2.151 50 10 JEGE CCC[C@@H]1C[C@H](C(=O)N[C@H]([C@@H](C)Cl)[C@H]2O[C@H](SC)[C@H](O)[C@@H]3OC(C)(C)O[C@H]32)N(C)C1 1848432654 HCPHMGDEJJICGS-BBZXRIOTSA-N 465.056 2.188 50 10 JEGE CC(C)(C)OC(=O)N1CCC[C@](CI)(O[C@@H]2CCN(S(C)(=O)=O)C2)C1 2257827898 AWRJPGOZQMRRTH-CZUORRHYSA-N 488.388 2.242 50 10 JEGE O=C(c1csc(I)c1)N1C[C@@H]2OC[C@@H](CBr)O[C@H]2C1 2265158918 NXEHXBGBHBSAEM-UTLUCORTSA-N 458.115 2.356 50 10 JEGE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1C[C@@H]2NS(=O)(=O)N1CCC(Br)CC1 2329595013 VZNPGRBMVFRWEP-JURCDPSOSA-N 452.415 2.372 50 10 JEGE C[C@@H](Br)CN1CCN(C(=O)c2c(Br)c(Br)nn2C)CC1 2364023414 AOLGDOZBPHXTEP-MRVPVSSYSA-N 473.007 2.486 50 10 JEGE CCCOc1ccccc1C(=O)NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 13623517 HFVIFTRGRNWYCN-KRWDZBQOSA-N 454.552 2.160 50 10 JEGE COc1ccc(OCc2ccc(/C=N/Nc3nc(S[C@@H](C)C(=O)NNC(C)=O)n[nH]3)o2)cc1 59880206 FWUUURBVHFWNIX-SQWLXVSWSA-N 473.515 2.079 50 10 JEGE CCOc1ccc(/C=C/C(=O)NNC(=O)Cn2cnc3sc(C)c(C)c3c2=O)cc1OC 1860771716 FQVNSRDPXIUSRZ-VQHVLOKHSA-N 456.524 2.343 50 10 JEGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CC[C@@H]2CC[C@H](Br)C[C@H]2C1 2024504024 XLJPYZHLIINQAE-KKUMJFAQSA-N 455.374 2.498 50 10 JEGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CC[C@@H]2CC[C@H](Br)C[C@@H]2C1 2024504027 XLJPYZHLIINQAE-ZNMIVQPWSA-N 455.374 2.498 50 10 JEGE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCc2c(B(O)O)cccc21 2283978324 ASURSAOPYUOUBJ-VGOFRKELSA-N 468.359 2.144 50 10 JEGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)CCC(=O)NCc2ccccc2)cc1 14030581 UECASXQXIMWHFW-UHFFFAOYSA-N 456.568 2.454 50 10 JEGE CCOC[C@@H](Br)CNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942090516 WLLSHYHNCCQLKZ-AWEZNQCLSA-N 461.378 2.172 50 10 JEGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](OC2CC(CS(C)(=O)=O)C2)C1 1995355391 ZTMQNZQNKQTOST-IFWUJCSASA-N 459.346 2.249 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H](CBr)C1CC1 2000541559 IQRYGXSRAHIEGB-UGSOOPFHSA-N 461.353 2.351 50 10 JEGE O=S(=O)(CCC(F)(F)CBr)N1C[C@H]2[C@@H](C1)OCCN2Cc1ccccc1 2123363569 UXMMPTCPEPFCIH-JKSUJKDBSA-N 453.349 2.322 50 10 JEGE CC(=O)c1ccc(S(=O)(=O)CC(=O)NNc2cc(Cl)nc3c2c(C)nn3C)cc1F 1558033167 DFAYINRWVMYZAL-UHFFFAOYSA-N 453.883 2.189 50 10 JEGE COc1cccc(OCC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)c1 1860771835 JBALBUAVBLJPOZ-CYBMUJFWSA-N 456.524 2.133 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2CCO[C@@]2(CBr)C1 2231356416 UXDVBBONMALEIR-VLIAUNLRSA-N 485.400 2.124 50 10 JEGE CN(Cc1csc(B(O)O)c1)C(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21 2243905967 UXUIENQIFFMSLW-UHFFFAOYSA-N 464.352 2.315 50 10 JEGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)c1cccc(B(O)O)c1 2248396509 ACRDEPWLYJMDSS-IRXDYDNUSA-N 458.323 2.471 50 10 JEGE COCCN(C[C@@H](C)Br)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2259756305 AEUIUOUNICZUFD-CQSZACIVSA-N 475.405 2.370 50 10 JEGE O=C(NN=Cc1ccc(S(=O)(=O)O)o1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2297730799 SRQGZPBFZIOQEJ-UHFFFAOYSA-N 483.458 2.176 50 10 JEGE NS(=O)(=O)c1cc(C(=O)NNC(=O)C2CCN(c3nc4ccccc4s3)CC2)ccc1Cl 727365230 OSMPTDONLQNOGQ-UHFFFAOYSA-N 493.998 2.275 50 10 JEGE CCOC(=O)c1ccc(Br)c(S(=O)(=O)NNC(=O)CCOc2ccccc2)c1 728506704 XVYJZUYFBGHAGR-UHFFFAOYSA-N 471.329 2.404 50 10 JEGE Cc1ccc(C(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)cc1S(N)(=O)=O 731572192 JTKZXAHPOYPEJS-UHFFFAOYSA-N 457.483 2.435 50 10 JEGE Cc1c(C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cccc1[N+](=O)[O-] 1860769866 JYCPXQRWFBJGKG-LLVKDONJSA-N 455.496 2.261 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)N2CCC(Br)CC2)[C@H]1C1CC1 1885864944 HDGWMXJVBYHCRC-LSDHHAIUSA-N 452.415 2.468 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@@H](Br)CBr 1957024235 BKFWBQDFTKPYFL-NSHDSACASA-N 482.194 2.141 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1COC2(CCC2)[C@@H]1Br 2141556620 MPHDZRQICXGYRO-DAYGRLMNSA-N 489.363 2.015 50 10 JEGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1cc(B(O)O)ccc1F 2248433788 QIFCMRGXSPKOOW-HNNXBMFYSA-N 462.286 2.049 50 10 JEGE C[C@H](NC(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)c1cccc(B(O)O)c1 2268708156 XWJPZWLBZFGXBW-LAUBAEHRSA-N 456.348 2.044 50 10 JEGE O=C(NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1)c1cc(F)c(B(O)O)cc1Cl 2282980582 PRRFWPJKINTQQA-UHFFFAOYSA-N 482.748 2.360 50 10 JEGE O=C(COc1ccc(I)cc1)NN=Cc1cc2c(cc1[N+](=O)[O-])OCO2 2297708343 YEZWPOCGEUXUDU-UHFFFAOYSA-N 469.191 2.457 50 10 JEGE O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=S)NC(=O)COc1ccc(Cl)cc1Cl 12502443 WNEWAXVGGVQHBJ-UHFFFAOYSA-N 473.294 2.381 50 10 JEGE CN(C)c1ccc(N2C(=N/C=C(\C#N)C(=O)NCc3ccco3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 254913843 YKPRLWIICIYNIW-CHSNVGMWSA-N 485.591 2.144 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@@H]2CC[C@H](Br)C[C@H]2C1 703958863 WFHXFBLECBDYPO-KKUMJFAQSA-N 455.374 2.498 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCSC[C@@H]1CBr 704002101 QUDOFAGENREKGU-ZDUSSCGKSA-N 475.430 2.451 50 10 JEGE CC(C)(C)c1ccc(C(=O)NNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)cc1 726070736 DJPNWQROOBQQIS-MJGOQNOKSA-N 479.986 2.223 50 10 JEGE CCO[C@@H]1CCCN(C(=O)/C(C#N)=C/c2cn(CCC(N)=O)nc2-c2ccc(OC)cc2)C1 920850422 FBLHEWZJFUCVGS-DILWRCETSA-N 451.527 2.369 50 10 JEGE COc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)NCc3ccco3)cc2)cc1 1083947719 ZMUJANOHAKFCAO-UHFFFAOYSA-N 450.451 2.072 50 10 JEGE CC(=O)N[C@H](C(=O)NNC(=O)CSc1ccccc1O)c1cccc(Br)c1 1630787038 XFORDSNUOCIOJH-KRWDZBQOSA-N 452.330 2.272 50 10 JEGE COc1ccccc1OCC(=O)NNC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O 1860770874 AOOCWXLIZNHVSE-UHFFFAOYSA-N 464.503 2.360 50 10 JEGE Cc1cnc(NC2(CNC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)cc1B(O)O 2231646823 QTZZGOGEKBNWRO-UHFFFAOYSA-N 454.380 2.041 50 10 JEGE Cc1c(B(O)O)csc1C(=O)NCCCONC(=O)OCC1c2ccccc2-c2ccccc21 2247785772 QIFXGCDSAVLEIV-UHFFFAOYSA-N 480.351 2.327 50 10 JEGE Cn1nc(Br)c(Br)c1C(=O)NC[C@@H]1C[C@H](CBr)CO1 2338860729 MVXBPEQMTFQAMR-RQJHMYQMSA-N 459.964 2.475 50 10 JEGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NN=Cc3c(O)ccc4ccccc34)CC2)cc1 252619440 LPMBVSAWHOQGPB-UHFFFAOYSA-N 466.563 2.310 50 10 JEGE CO[C@H]1C[C@H](CBr)N(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 703965664 SIQJDCBEWRSNHE-KGLIPLIRSA-N 473.389 2.123 50 10 JEGE O=C(CNC(=O)c1cccs1)NNC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 725871024 BBKPIRMBVYAAQN-UHFFFAOYSA-N 455.462 2.060 50 10 JEGE CCc1ccc(N2C[C@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1[N+](=O)[O-] 1872961874 NAFIHCPWGPFZGT-ZWKOTPCHSA-N 480.525 2.287 50 10 JEGE O=C(OCc1ccccc1)N1CCO[C@H](CNS(=O)(=O)CCC(CCl)CCl)C1 2044260973 FDIADEQVJQBZNQ-QGZVFWFLSA-N 453.388 2.427 50 10 JEGE C[C@H](NC(=O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21)c1nscc1B(O)O 2248899084 IXQLANPOIUCPTP-HNNXBMFYSA-N 479.367 2.319 50 10 JEGE CC(C)(C)OC(=O)N[C@@H]1CN(CCOCCI)CC12CCOCC2 2306798819 IHXCQPFMJCLKRK-CQSZACIVSA-N 454.349 2.444 50 10 JEGE N#C/C(=C/Nc1ccc(I)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 217006398 UOVPMSQLYFHHBU-KHPPLWFESA-N 468.276 2.397 50 10 JEGE CCN1C(=O)C(=NNC(=O)CCCCC(=O)NN=C2C(=O)N(CC)c3ccccc32)c2ccccc21 254824482 GBAMSXMFEIWXEG-UHFFFAOYSA-N 488.548 2.321 50 10 JEGE C/C(=C/c1ccc(Br)o1)C(=O)N1CCN(S(=O)(=O)CBr)CC1 1466475465 IXDVERWLTJVMCZ-NTMALXAHSA-N 456.156 2.272 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CC[C@@H](C(F)(F)CBr)C1 2020895612 OLRIQDGMMNKYPJ-GFCCVEGCSA-N 465.316 2.355 50 10 JEGE CC(N)=C(C#N)C(=O)COC(=O)c1cc(Br)cc(S(=O)(=O)N2CCC(C)CC2)c1 2040469882 RHWUSVORFDKVFQ-UHFFFAOYSA-N 484.372 2.352 50 10 JEGE CC1(C)OCCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)[C@H]1CBr 2267679434 JEIIUTCXIWEVNP-KXBFYZLASA-N 491.379 2.215 50 10 JEGE O=C(COc1nsnc1N1CCOCC1)NN=Cc1ccc(OCc2ccccc2)cc1 252642487 ZMAYNVIVWCPOOB-UHFFFAOYSA-N 453.524 2.483 50 10 JEGE O=C(CNC(=O)OCc1ccccc1)NNC(=O)C(=O)c1ccccc1NC(=O)c1ccccc1 1088699663 QXLWZHZTGZSTGY-UHFFFAOYSA-N 474.473 2.195 50 10 JEGE O=C(NS(=O)(=O)c1ccc(CCNC(=O)C(F)(F)F)cc1)Oc1ccc([N+](=O)[O-])cc1F 1859004678 HSTQJZDDYUCEGV-UHFFFAOYSA-N 479.364 2.432 50 10 JEGE CC(C)(C)OC(=O)N1CCC[C@H]([S@@](C)(=O)=NS(=O)(=O)CI)C1 1910107753 PFGHDIOGFHLQMR-CHNSCGDPSA-N 466.363 2.206 50 10 JEGE O=C(NC1CC2(C1)CN(S(=O)(=O)N1CCC(Br)CC1)C2)OCc1ccccc1 2044683042 BTIRLMNRMAPYIX-UHFFFAOYSA-N 472.405 2.481 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CNS(=O)(=O)N3CCC(Br)CC3)[C@@H]2C1 2138560272 KMJCLGZEVNLRGV-QLFBSQMISA-N 452.415 2.183 50 10 JEGE O=C(OCc1ccccc1)N1C[C@H](Nc2ncc(Br)cc2B(O)O)C2(CCC2)C1 2231670344 VMNLNUGQRCZDCJ-KRWDZBQOSA-N 460.137 2.127 50 10 JEGE C[C@H](c1cc(B(O)O)cs1)N(C)C(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21 2243685187 OSSOXTUIADYBCF-OAHLLOKOSA-N 464.352 2.486 50 10 JEGE CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1Br 14770990 GEIKLAYOVPUGEZ-UHFFFAOYSA-N 497.327 2.471 50 10 JEGE Cc1ccccc1NC(=O)C(=O)NN=C1C(=O)N(CC(=O)Nc2ccccc2)c2ccccc21 254622625 FMAJNWSRPJQWSM-UHFFFAOYSA-N 455.474 2.439 50 10 JEGE C[C@@H]1[C@H](OC(=O)CCC(=O)NCCCC(=O)O)O[C@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@H]1[C@@]24OO3 504065055 UFYPJMIBQJQHGU-CKQPHQBISA-N 469.531 2.499 50 10 JEGE biogenic CCn1nc(C(=O)NNC(=O)C2CCN(C(=O)N(C)Cc3ccccc3)CC2)c2ccccc2c1=O 727365161 NHOSOKTUPVFQIS-UHFFFAOYSA-N 490.564 2.141 50 10 JEGE CS(=O)(=O)N(CC(=O)NN=Cc1cc2c(cc1Br)OCO2)c1ccc(F)cc1 1084405835 OOAHQACJGIDHRL-UHFFFAOYSA-N 472.292 2.233 50 10 JEGE Cc1ccc(S(=O)(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1860770719 UGCAFMJMCUXFJX-ZIAGYGMSSA-N 460.581 2.462 50 10 JEGE CCc1cccc(CC)c1N1C[C@@H](C(=O)NNC(=O)c2ccccc2S(C)(=O)=O)CC1=O 1865756242 NWPKRNOOPRGRSC-KRWDZBQOSA-N 457.552 2.029 50 10 JEGE Cc1c(N2C[C@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)cccc1[N+](=O)[O-] 1872962273 SBBBMAGAQRYKRA-DLBZAZTESA-N 466.498 2.033 50 10 JEGE CC(C)(C)OC(=O)N1C[C@H]2[C@@H]3CC[C@@H](CN3S(=O)(=O)CI)[C@H]2C1 1983327912 RKUJQUSTCVPMLY-LOWDOPEQSA-N 456.346 2.286 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H]2OC[C@H](CBr)[C@@H]2C1 2121588682 SGILMGCDZGFQLT-WBAXXEDZSA-N 485.400 2.124 50 10 JEGE Cc1cc(OCC(=O)NNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)ccc1Br 12485214 KMLJVDIJKSXXDA-UHFFFAOYSA-N 453.205 2.414 50 10 JEGE Cc1cccc(OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCc2ccccc2)c1C 14649106 TYRHUBLKLGYLHQ-UHFFFAOYSA-N 457.552 2.270 50 10 JEGE COc1ccc(CNC(=O)C(=O)NN=Cc2ccc(OCC(=O)Nc3ccccc3)cc2)cc1 725433316 QOMYQTAFFVVUEC-UHFFFAOYSA-N 460.490 2.479 50 10 JEGE COc1ccccc1C=NNc1nc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)n[nH]1 1084531840 LWYOXQAYTDFMAP-UHFFFAOYSA-N 459.919 2.466 50 10 JEGE CC(=O)[C@@H]1CC(C(=O)NNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)=NN1c1ccccc1 1530291729 MDAYXPQAOZGVRU-IBGZPJMESA-N 457.531 2.005 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(CCBr)CC(F)F 2000541554 IPUMFURKDGAAMH-INIZCTEOSA-N 471.295 2.303 50 10 JEGE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Cl)ccc1B(O)O 2256621920 AKIGAANNJXUKHP-AUUYWEPGSA-N 462.739 2.457 50 10 JEGE CC(C)(C)OC(=O)N1CCN(CC2(CBr)CC(F)C2)[C@H]2CS(=O)(=O)C[C@H]21 2265638055 IJNHVTDPACEAJH-YRTQGLMCSA-N 455.390 2.218 50 10 JEGE NNC(=O)c1cc(COCc2ccc(I)c(Br)c2)on1 2377638988 YTZBZJSJYMIVNP-UHFFFAOYSA-N 452.046 2.362 50 10 JEGE Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(C)c1 12502246 AMOMBVYQHUAMTH-UHFFFAOYSA-N 488.482 2.174 50 10 JEGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)CC(=O)NCc3cccnc3)cc2)cc1 1084162786 FWEFIRXCUVEYSM-UHFFFAOYSA-N 475.505 2.264 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2[C@H](Br)CC[C@H]2C1 2046026826 VHEILDBRBAENPK-GJZVTGKDSA-N 473.364 2.446 50 10 JEGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2cccc(B(O)O)c21 2248399021 YDNCQVRXIXMYBW-MRXNPFEDSA-N 456.307 2.183 50 10 JEGE O=C(Cc1cc(Br)cc(Br)c1)N[C@H]1CS(=O)(=O)C[C@@H]1Br 2295310731 ASYUBDQFPFWHGR-QWRGUYRKSA-N 490.011 2.431 50 10 JEGE Cc1sc2ncn(CC(=O)NNC(=O)[C@H](C)Nc3nc4ccccc4s3)c(=O)c2c1C 9856588 OYZDLGBTJYMNJC-NSHDSACASA-N 456.553 2.333 50 10 JEGE O=C(NNc1ncnc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1[N+](=O)[O-])c1ccc(F)cc1 40657989 QRDSEZUAFFKWRC-UHFFFAOYSA-N 495.471 2.332 50 10 JEGE Nc1c(NNC(=O)c2ccc(F)cc2)ncnc1NNC(=O)c1ccc(Br)cc1 101567676 AUINSOOLYFFCJM-UHFFFAOYSA-N 460.267 2.474 50 10 JEGE COC(=O)[C@@H](Br)COc1c(I)cc(C#N)cc1[N+](=O)[O-] 159881477 SDTMTUIRYJSPIT-ZETCQYMHSA-N 455.002 2.386 50 10 JEGE CC(=O)N[C@H](C(=O)NNC(=O)[C@H](C)Oc1ccccc1F)c1cccc(Br)c1 1521183503 KAYSVVMEQPJTFV-GTNSWQLSSA-N 452.280 2.380 50 10 JEGE CC(C)(C)OC(=O)N1C[C@H]2[C@H]3CC[C@@H]([C@H]2C1)N(S(=O)(=O)CI)C3 1983327911 RKUJQUSTCVPMLY-CYDGBPFRSA-N 456.346 2.286 50 10 JEGE Cn1ncc(C(=O)N2CCC3(CC2)C[C@H](Br)CO3)c1I 2173173772 ULJZLKBKMDTZJM-VIFPVBQESA-N 454.106 2.183 50 10 JEGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1Cc2ccccc2C[C@H]1CBr 2264208257 BNFDKZGPOUMWRK-INIZCTEOSA-N 463.353 2.434 50 10 JEGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)c(C)c2)cc1 14657087 MNDLRIPNAGQHTL-UHFFFAOYSA-N 451.932 2.388 50 10 JEGE CCN(CC)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3O)n2N)c(O)c1 58991827 LPZPCLKMHMOIJT-FSJBWODESA-N 455.544 2.159 50 10 JEGE CCOc1ccc(-c2c(C(=O)NN=Cc3ccc(NC(C)=O)cc3)nnn2-c2nonc2N)cc1 254492987 PRPNLVAOAOJXLI-UHFFFAOYSA-N 475.469 2.021 50 10 JEGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccn2)Cc2ccccc2)cc1OC 1084503936 BRTZRFYKNYOOLE-UHFFFAOYSA-N 468.535 2.440 50 10 JEGE CC(=O)N[C@](C)(C(=O)NNC(=O)c1ccc2ccccc2c1)c1ccc(S(C)(=O)=O)cc1 1141915153 QRSMCRLJSHSDNK-QHCPKHFHSA-N 453.520 2.056 50 10 JEGE COCCOc1cc([N+](=O)[O-])c(C(=O)NNC(=O)c2ccc(Br)cc2)cc1OC 1337096287 XRCDOFVLNAVAGO-UHFFFAOYSA-N 468.260 2.466 50 10 JEGE C=CCOc1ccc(Br)cc1NC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 1672210151 PWDDAKRHXMBVRB-UHFFFAOYSA-N 458.276 2.456 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CCBr)C1CC1 2000540199 DJJUNAJPQLWNJQ-CRAIPNDOSA-N 461.353 2.494 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC1(CCBr)CC1 2000542524 KTEHDZCZGIMOGS-KRWDZBQOSA-N 461.353 2.495 50 10 JEGE Cc1nc(S(=O)(=O)N2CCC(CI)CC2)c(Br)n1C 2098616514 OAFQNVHPKSGVGJ-UHFFFAOYSA-N 462.151 2.327 50 10 JEGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H](C)c1cc(B(O)O)cs1 2268652835 JABQMBZXQGENKR-GQIGUUNPSA-N 476.404 2.446 50 10 JEGE O=C(c1ccccc1I)N1C[C@@H]2OC[C@@H](CBr)O[C@H]2C1 2279929795 UOLXKYGOVLRIHN-ICCXJUOJSA-N 452.086 2.295 50 10 JEGE COC[C@@]1(CBr)C=CCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2326722960 ATPDPOFDOYZWGD-IBGZPJMESA-N 471.373 2.045 50 10 JEGE C[C@H](CCl)N1CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CC1 2364212882 BGVRUPHTXCOCDK-QGZVFWFLSA-N 456.008 2.418 50 10 JEGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(=O)OCC)cc2)cc1 14031336 AGCNBAZYXSQBPP-UHFFFAOYSA-N 459.524 2.367 50 10 JEGE CN(C[C@H]1C[C@H](Br)C1)C(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1887829539 KUVZDEIOOZBARM-MGPQQGTHSA-N 453.399 2.043 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2Br 2046021836 FJBWOTULWAKVOL-GJIRYMRFSA-N 473.364 2.492 50 10 JEGE O=C1CC[C@@H](N2C(=O)c3cccc(OCCCCCCI)c3C2=O)C(=O)N1 2049393779 JJKYGONZCXRJKJ-CYBMUJFWSA-N 484.290 2.462 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@]2(C[C@@H](Br)CO2)C1 2137121765 LOWDCZSRBWMZLB-JLTOFOAXSA-N 485.400 2.267 50 10 JEGE C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1)c1cscc1B(O)O 2256681802 QCVRFBYYHFUDDC-DOXZYTNZSA-N 462.377 2.104 50 10 JEGE O=C(c1ccccc1I)N1C[C@@H]2OC[C@H](CBr)O[C@@H]2C1 2279929797 UOLXKYGOVLRIHN-TVYUQYBPSA-N 452.086 2.295 50 10 JEGE CN(CC1(O)CCN(Cc2ccccc2)CC1)S(=O)(=O)N1CCC(Br)CC1 2286409052 XLEFEFKHRGCUIG-UHFFFAOYSA-N 460.438 2.049 50 10 JEGE N#CC(=Cc1c(Oc2ccc(Cl)cc2)nc2ccccn2c1=O)C(=O)N[C@@H]1CCS(=O)(=O)C1 2296721769 SDZAEHWDPUCKMR-MRXNPFEDSA-N 484.921 2.350 50 10 JEGE COC[C@@H](Br)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301116708 IANIWNGAORMSCL-AWEZNQCLSA-N 461.378 2.172 50 10 JEGE COC[C@]1(C)C[C@H](NC(=O)OC(C)(C)C)CN1S(=O)(=O)N1CCC(Br)CC1 2364162346 FTQTYOGNXQIKKI-YOEHRIQHSA-N 470.430 2.095 50 10 JEGE COC(=O)c1cc(Nc2ncnc(NNC(=O)c3ccc(OC)cc3)c2N)cc(C(=O)OC)c1 40705821 FRJHLLPEMYXSHU-UHFFFAOYSA-N 466.454 2.141 50 10 JEGE O=C1c2ccccc2C(=O)N1N(CCI)CCI 95783696 RRGLHSUPRGTXKJ-UHFFFAOYSA-N 470.048 2.370 50 10 JEGE O=C(NNc1ccc(S(=O)(=O)C(F)F)cc1)C1CCN(S(=O)(=O)c2ccccc2)CC1 728976236 LAPFPXONNUIZSF-UHFFFAOYSA-N 473.523 2.227 50 10 JEGE COC(=O)COc1ccc(C=NNC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)cc1 1084636537 ZSWBATUPIZASLN-UHFFFAOYSA-N 495.557 2.407 50 10 JEGE C=CCOc1ccc(C=NNC(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1OC 1084645653 HMPSRVONZVKZNZ-UHFFFAOYSA-N 477.539 2.194 50 10 JEGE Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1C(=NNC(=O)c1ccncc1)CCC2 1772745724 JGBNWWDDTNXYIA-UHFFFAOYSA-N 476.449 2.436 50 10 JEGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1C(=NNC(=O)c1ccncc1)CCC2 1772746738 ZFRYOXRBONJQNL-UHFFFAOYSA-N 476.449 2.436 50 10 JEGE COc1cc(OC)cc(C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)c1 1860772358 WRNXJYAHCAMSHR-GFCCVEGCSA-N 456.524 2.376 50 10 JEGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(B(O)O)s1 1901486175 SDGWFQOSCIARLA-OAQYLSRUSA-N 464.352 2.361 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@H](CBr)C1 2000533224 PPWIMEZGEQXSIP-ACJLOTCBSA-N 461.353 2.448 50 10 JEGE O=C(N[C@@H]1C(F)(F)C12CC(NS(=O)(=O)CCOCCCl)C2)OCc1ccccc1 2142154197 ZCZUQPFGOMRHFW-CKDBGZEDSA-N 452.907 2.254 50 10 JEGE Cc1ccc(CNC(=O)[C@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1B(O)O 2253233597 PIUDZKXASMEBNB-KRWDZBQOSA-N 458.323 2.218 50 10 JEGE CCCN(CCC)Cc1c(C(=O)N/N=C/c2cccc(Br)c2)nnn1-c1nonc1N 3633054 OQGAQCMWYJPJJX-SSDVNMTOSA-N 490.366 2.381 50 10 JEGE O=C(/C=C\c1cccs1)NC(=S)NNC(=O)Cn1nnc(-c2cc(Cl)cc(Cl)c2)n1 12368447 YLCMBGKGVNJEPQ-ARJAWSKDSA-N 482.378 2.444 50 10 JEGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)N[C@@H]3CCS(=O)(=O)C3)c(Oc3ccccc3F)nc12 34719291 IRPKWNNGCZKMFR-UVQBRAAOSA-N 482.493 2.145 50 10 JEGE Cn1cc(I)c(C(=O)NN=Cc2cc3c(cc2Br)OCO3)n1 252589826 ANQZICHZJXQPBM-UHFFFAOYSA-N 477.056 2.280 50 10 JEGE N#C/C(=C\N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1)C(=O)NCc1ccccc1 254432782 TYUSPNWGILKUNA-VWXVZYAPSA-N 466.588 2.481 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NCC[C@H]1COC[C@H]1Br 2048704897 FKMHFJBDTGNHDL-WMLDXEAASA-N 473.389 2.172 50 10 JEGE O=C(NCCNC(=O)c1cc(F)c(B(O)O)cc1Cl)OCC1c2ccccc2-c2ccccc21 2248027993 CSOBIOVNAGYSLN-UHFFFAOYSA-N 482.704 2.427 50 10 JEGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccnc(B(O)O)c1 2248401592 LBQIOSIIFUVKFS-QHCPKHFHSA-N 459.311 2.263 50 10 JEGE O=C(c1csc(I)c1)N1C[C@@H]2OC[C@H](CBr)O[C@@H]2C1 2265158916 NXEHXBGBHBSAEM-LPEHRKFASA-N 458.115 2.356 50 10 JEGE O=C(N[C@@H](C(=O)N/N=C/c1ccc([N+](=O)[O-])o1)c1n[nH]c(=O)c2ccccc12)c1ccccc1 27519317 BDLLKVOJEYSWML-AOOMUMSASA-N 460.406 2.046 50 10 JEGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 41011695 FGMFMYJLPFVPGY-LZYBPNLTSA-N 482.405 2.497 50 10 JEGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)N2CCN(c3ccccn3)CC2)cc1 920847491 FCXUPKOOXVQHIA-SILNSSARSA-N 485.548 2.085 50 10 JEGE COc1ccc(CNC(=O)C(=O)NN=Cc2ccc(OCC(=O)Nc3ccc(OC)cc3)cc2)cc1 1084444595 NXDXMUASJVJPIN-UHFFFAOYSA-N 490.516 2.488 50 10 JEGE Cc1nnnn1C(=Cc1ccccc1)C(=O)OCC(=O)C(C#N)=C1N(C)c2ccccc2N1C 2040469710 JIHUKXKZOKKOPA-UHFFFAOYSA-N 455.478 2.413 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@]2(C[C@H](Br)CO2)C1 2137121766 LOWDCZSRBWMZLB-VBKZILBWSA-N 485.400 2.267 50 10 JEGE COc1ccc(CCNC(=O)C(C#N)=CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 2324788237 NZQIDXAURFDGHJ-UHFFFAOYSA-N 468.579 2.076 50 10 JEGE CC1CCN(Cc2c(C(=O)N/N=C/c3cccc(C(F)(F)F)c3)nnn2-c2nonc2N)CC1 3633187 HVOJOTIIGPBCGW-KIBLKLHPSA-N 477.451 2.247 50 10 JEGE CC(C)OCCCn1c(NNC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)nc2ccccc2c1=O 751890901 FHOMRNJJOYNFDJ-JTSKRJEESA-N 459.572 2.109 50 10 JEGE COc1ccc(S(=O)(=O)N2CCN(C(=O)Oc3ccc([N+](=O)[O-])cc3)CC2)cc1OC 1858628969 LWBFXMCQUHHVHM-UHFFFAOYSA-N 451.457 2.117 50 10 JEGE CC(C)(C)OC(=O)N1CC2(C1)CS(=O)(=O)CCN2C[C@@H](Br)C(F)(F)F 2063606991 IPRBKTRDVWJCIA-SNVBAGLBSA-N 451.305 2.032 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCO[C@@H]2C[C@@H](Br)C[C@H]21 2065591250 YKNQNAYEYLIUDN-IAOVAPTHSA-N 471.373 2.019 50 10 JEGE Cc1cnc(O[C@@]2(CNC(=O)OC(C)(C)C)CCCN(Cc3ccccc3)C2)cc1B(O)O 2231643358 OXTGRHRRHDBTCF-XMMPIXPASA-N 455.364 2.008 50 10 JEGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1c(Cl)cccc1B(O)O)Cc1ccccc1 2255885742 VDDMEXKDHFOVLZ-UHFFFAOYSA-N 472.803 2.343 50 10 JEGE Cc1ccc(C(=O)NCCS(=O)(=O)CCBr)cc1I 2335767574 NEHYWVCRKOKESE-UHFFFAOYSA-N 460.131 2.139 50 10 JEGE O=C(CCCNC(=O)c1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(I)o1 33959132 ZOPCLXPSGVINFK-VXLYETTFSA-N 470.223 2.453 50 10 JEGE O=C(NNc1ncnc(NCCN2CCOCC2)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 40658820 WJVWUHAQLAXRJY-UHFFFAOYSA-N 456.290 2.193 50 10 JEGE N#C/C(=C/Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)NCCc1ccc(O)cc1 217179797 JZSIUXRHIGPMRO-ICFOKQHNSA-N 490.969 2.245 50 10 JEGE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)cc1 1562262818 CEYLOWTYPYRBKJ-UHFFFAOYSA-N 456.524 2.371 50 10 JEGE Cc1cc(C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)ccc1N(C)C 1860769894 KRPRKTGKLFFZNY-CYBMUJFWSA-N 453.568 2.418 50 10 JEGE CN([C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)S(=O)(=O)N1CCC(Br)CC1 2106778819 HOFWSIPGXCCTAX-LLVKDONJSA-N 468.336 2.478 50 10 JEGE Cc1cc(NC(=O)[C@@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)cc(B(O)O)c1 2284016052 VUSJADZAUNDHLZ-VWLOTQADSA-N 468.359 2.457 50 10 JEGE CC1(C)O[C@H]2[C@@H](O1)[C@@H](C(=O)NN=Cc1cccc(Br)c1)O[C@@H]1OC(C)(C)O[C@H]21 2297731157 VWRYINVXIDQZFU-RUCLQGLUSA-N 455.305 2.296 50 10 JEGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccccc1B(O)O 2301662477 PCDFKXALNDHQDD-DEOSSOPVSA-N 458.323 2.300 50 10 JEGE COc1cc(C=NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc([N+](=O)[O-])c1O 2325904327 SZOSACSBNFDXKK-LLVKDONJSA-N 471.495 2.356 50 10 JEGE CN(C)C[C@H](Br)CN(C)C(=O)c1c(Br)c(Br)nn1C 2338859261 FLCWGJQFBLIAPZ-ZETCQYMHSA-N 460.996 2.342 50 10 JEGE Cc1cc(=O)n(C(C)C)c(=S)n1C(=O)C1=C[C@H]([N+](=O)[O-])[C@@H](Br)C([N+](=O)[O-])=C1 100844752 PXZZBYBVSQVLIA-GXFFZTMASA-N 459.278 2.418 50 10 JEGE O=C(NN=Cc1cc([N+](=O)[O-])ccc1O)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 254698588 PGWPRBXHTAXUQU-UHFFFAOYSA-N 453.455 2.452 50 10 JEGE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@]3(C)C[C@H]3Br)CC2)cc1 1684131446 NLQDZABLGSPRRU-AEFFLSMTSA-N 458.378 2.079 50 10 JEGE CCN1C(=O)C(=NNC(=O)CNC(=O)c2ccccc2Br)c2cc(OC)ccc21 1772720300 IRPHBRFQYSEHLC-UHFFFAOYSA-N 459.300 2.075 50 10 JEGE CCOC(=O)c1c(NC(=O)c2ccc(B(O)O)cc2)sc(C(=O)Nc2ccccc2)c1C 1866097700 RLGHBBVYUJNQPR-UHFFFAOYSA-N 452.297 2.418 50 10 JEGE CC(C)(C)OC(=O)N1CCN(C[C@H](Br)C(F)(F)F)[C@@H]2CS(=O)(=O)C[C@H]21 2044705801 OCMMUDDRSLIVGG-MXWKQRLJSA-N 451.305 2.031 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H](OCCCBr)C1 2142044420 AFAIYHNUDUYVCP-AUUYWEPGSA-N 491.379 2.217 50 10 JEGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2267161735 GICVDPGAVPVTLJ-UHFFFAOYSA-N 484.453 2.412 50 10 JEGE N#CC(=Cc1c(N2CCC3(CC2)OCCO3)nc2ccccn2c1=O)C(=O)NCc1ccccc1 2314435426 AJCHOGSJKNJSNF-UHFFFAOYSA-N 471.517 2.261 50 10 JEGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNCCCN1CCOCC1 2325406139 DMWJVYBPSBVFGG-UHFFFAOYSA-N 454.312 2.258 50 10 JEGE Nc1cc(N)nc(SCC(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)n1 58986299 GCPLRIAVEBJOKI-JJPRUIFNSA-N 476.154 2.114 50 10 JEGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)N[C@@H](C)CN2CCCCC2)cc1 920853801 HFBUVESYCMQPSG-HJHGFDQJSA-N 464.570 2.332 50 10 JEGE CC(=O)N[C@](C)(C(=O)NNC(=O)c1cccc2ccccc12)c1ccc(S(C)(=O)=O)cc1 1147586272 PMLLSEYARMEPDG-QHCPKHFHSA-N 453.520 2.056 50 10 JEGE C[C@@H](C(=O)NNS(=O)(=O)c1ccc(F)cc1)n1cnc2sc3c(c2c1=O)CCCC3 1860770421 HMFJHYGDGNABPP-NSHDSACASA-N 450.517 2.047 50 10 JEGE COc1cccc(CCC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 1865852434 WFVZRCGCUAKDDJ-CQSZACIVSA-N 454.552 2.372 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2C[C@]2(CBr)C1 1906351136 RHRPMCKNUUOIMH-DJJJIMSYSA-N 455.374 2.355 50 10 JEGE CO[C@@H](CCBr)CNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2002979757 UAKAFKIHHZTTPU-AWEZNQCLSA-N 461.378 2.172 50 10 JEGE Cc1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccccc1I 12501571 PPHAAARPHYNHEC-UHFFFAOYSA-N 469.304 2.314 50 10 JEGE Cc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1Br 12572651 QCLHMESVBGKRAF-UHFFFAOYSA-N 467.301 2.380 50 10 JEGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)cc1 1197184951 YNIVIDWMKOAACT-HNNXBMFYSA-N 452.467 2.158 50 10 JEGE O=C(Oc1ccc([N+](=O)[O-])cc1F)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1858629223 UUHACPMNLGNLGU-UHFFFAOYSA-N 454.392 2.147 50 10 JEGE CN(C[C@@H](O)CN(C)S(=O)(=O)c1ccc(CBr)cc1)C(=O)OC(C)(C)C 2106773106 QGLZYFDMSJDXFP-CQSZACIVSA-N 451.383 2.430 50 10 JEGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Cl)ccc1B(O)O 2256621921 AKIGAANNJXUKHP-IFXJQAMLSA-N 462.739 2.457 50 10 JEGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(B(O)O)cc1 2268654188 WETJXZOKVALZSX-LLGFUMIMSA-N 456.348 2.042 50 10 JEGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 13623526 DVJPNXFUWMQGTJ-GOSISDBHSA-N 454.552 2.158 50 10 JEGE COc1ccc(/C=N/Nc2nc(SCC(=O)NNC(=O)c3ccc(Cl)cc3)n[nH]2)cc1O 20923455 LNZSQHNGHRZXIT-ZVBGSRNCSA-N 475.918 2.172 50 10 JEGE COc1cc(/C=N/NC(=O)CCCSc2nnc(-c3cccc([N+](=O)[O-])c3)n2N)ccc1O 58987457 TTXHFKPALYCCHB-WSDLNYQXSA-N 471.499 2.304 50 10 JEGE N#C/C(=C/N1CCN(Cc2ccc3c(c2)OCO3)CC1)C(=O)N1CCN(c2ccc(F)cc2)CC1 217237588 CYQJEQYHNDJIBH-UZYVYHOESA-N 477.540 2.428 50 10 JEGE CCOc1cc(C=NNC(=O)CNC(=O)c2cccc(F)c2)cc(I)c1O 252603724 FTIOCDRMBSAJNO-UHFFFAOYSA-N 485.253 2.415 50 10 JEGE CCCN(CCC)Cc1c(C(=O)NN=Cc2ccc(N(CC)CC)cc2O)nnn1-c1nonc1N 254296638 JBKLKVGOKBOAMP-UHFFFAOYSA-N 498.592 2.170 50 10 JEGE Cc1cccc(NC(=O)CN2C(=O)C(=NNC(=O)C(=O)Nc3ccc(O)cc3)c3ccccc32)c1 254478741 NHKPKMSWXUAPMD-UHFFFAOYSA-N 471.473 2.145 50 10 JEGE CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NNC(=O)C1CCN(c3ncccn3)CC1)O[C@H](C)C2 730495319 BOSKRVIPQIBFPK-BPAFIMBUSA-N 465.554 2.366 50 10 JEGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)/C=C/C(=O)O)cc2)cc1 1858674721 MFEFWWVEVBDJTF-MDZDMXLPSA-N 460.493 2.027 50 10 JEGE COc1ccc(C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1[N+](=O)[O-] 1860771587 AUUSXJUHPFBDES-NSHDSACASA-N 471.495 2.276 50 10 JEGE C[C@@H](CBr)N1CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CC1 2113064386 PITJJQUGBUGBIJ-INIZCTEOSA-N 486.432 2.184 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](CCl)OC2(CCC2)C1 2165766845 PZBONYADMJVTCO-LIRRHRJNSA-N 458.939 2.203 50 10 JEGE Cc1nn(CCBr)c(C)c1S(=O)(=O)N1CC2(CN(Cc3ccccc3)C2)C1 2179858848 URKXHOFYSKVCOX-UHFFFAOYSA-N 453.406 2.401 50 10 JEGE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1c(F)cccc1B(O)O 2273930705 ZPVOBKNTTGTPOF-UHFFFAOYSA-N 490.340 2.482 50 10 JEGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)[C@@H]1COc2ccccc2O1 2314793655 WSUJTOFPBXULNK-QFIPXVFZSA-N 450.447 2.206 50 10 JEGE COc1cc(C=NNC(=O)C(=O)Nc2cccc(C)c2C)ccc1OCC(=O)N1CCCC1 263626045 DIZYJQLWSQUTCS-UHFFFAOYSA-N 452.511 2.402 50 10 JEGE COc1ccc(OC)c(N(CC(=O)NN=Cc2ccccn2)S(=O)(=O)c2ccccc2)c1 1084628944 YZZNKIKDWBUBFU-UHFFFAOYSA-N 454.508 2.444 50 10 JEGE C#C[C@@H](C)NC(=O)NNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2OC)c1 1230478966 SVOPGCBKHPXHLS-GFCCVEGCSA-N 450.904 2.115 50 10 JEGE CC1(C)OCCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)[C@H]1CBr 2255967104 XRXWQBSBGZJIKA-INIZCTEOSA-N 473.389 2.267 50 10 JEGE Cc1ccc(NC(=O)C2(COCc3ccccc3)CN(C(=O)OC(C)(C)C)C2)cc1B(O)O 2268793062 WUDNGQKFQUZKDF-UHFFFAOYSA-N 454.332 2.067 50 10 JEGE CCc1cc2c(=O)n(CC(=O)NN=Cc3ccc(OCC(=O)N(CC)CC)cc3)cnc2s1 2325904439 SJFWKZPEODUKPP-UHFFFAOYSA-N 469.567 2.418 50 10 JEGE CCOCCOc1cccc(C(=O)NC(=S)NNC(=O)c2cc(OC)c(OC)c(OC)c2)c1 10276390 XVAXYAFVUAPPJN-UHFFFAOYSA-N 477.539 2.077 50 10 JEGE COc1cc(C(=O)NC(=S)NNC(=O)CCC(=O)Nc2ccc(C)c(C)c2)cc(OC)c1OC 12569894 JQBOSQBAOMWRAC-UHFFFAOYSA-N 488.566 2.384 50 10 JEGE CC(=O)NNC(=O)CSCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 226844233 OWXRJMWNKIWYNI-HXUWFJFHSA-N 471.535 2.269 50 10 JEGE CC(=O)O[C@@H]1[C@H](CI)O[C@H](Oc2ccccc2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 504390557 GSJYCHGFHMUGRN-PNKHAZJDSA-N 492.262 2.020 50 10 JEGE biogenic Cc1nc(I)c(I)n1CC1(C(=O)NN)CCCCC1 2230893521 AEHIDDRFHSYORB-UHFFFAOYSA-N 488.111 2.341 50 10 JEGE O=C(NCCC(=O)N1CCc2sc(B(O)O)cc2C1)OCC1c2ccccc2-c2ccccc21 2248887233 RIQKCNPXXVUAOL-UHFFFAOYSA-N 476.363 2.241 50 10 JEGE Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)c1 2296544436 DLBFTSDZQDRVPA-SFHVURJKSA-N 478.530 2.314 50 10 JEGE N#CC(=CN=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1)C(=O)NCc1ccccc1 2296601251 TYUSPNWGILKUNA-NHCUHLMSSA-N 466.588 2.481 50 10 JEGE CN([C@H]1COC[C@H]1Br)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316826082 WVLOXTDMLVVKPF-SJORKVTESA-N 473.389 2.267 50 10 JEGE COC(=O)c1ccc(/C=N/NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(C(=O)O)cc2)cc1 59384576 OTKOYNFQAXNMRO-RIDKEVFESA-N 452.492 2.115 50 10 JEGE COc1cc(C(=O)NN=Cc2cc([N+](=O)[O-])ccc2N2CCC(C(N)=O)CC2)cc(OC)c1OC 1084216819 OZDSBQGTTBJVGG-UHFFFAOYSA-N 485.497 2.086 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1C[C@H]2C[C@H]1C[C@H]2Br 2046021837 FJBWOTULWAKVOL-IITWUTTLSA-N 473.364 2.492 50 10 JEGE C[C@@H](NC(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(B(O)O)c1 2248884569 ZDGKCRXQDBLTEI-QGZVFWFLSA-N 458.323 2.472 50 10 JEGE CCCOc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=C(C)Cn2nnc([N+](=O)[O-])n2)cc1 2297451187 WGELKDOLXWPNRZ-UHFFFAOYSA-N 492.496 2.333 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H]1COCC[C@@H]1Br 2316819210 YULZRNGAJAOOPH-DLBZAZTESA-N 473.389 2.315 50 10 JEGE Cn1nc(Br)c(Br)c1C(=O)NCC[C@@H]1COC[C@H]1Br 2338684961 UKOXPNQFDCEIGA-RNFRBKRXSA-N 459.964 2.475 50 10 JEGE COc1ccc(C(=O)NNC(=O)c2cn(C)c3ccccc23)cc1S(=O)(=O)N1CCCC1 15092843 LMQMJPNECFHVDP-UHFFFAOYSA-N 456.524 2.046 50 10 JEGE COc1cc(C=NNC(=O)Cn2nnc(-c3ccccc3Cl)n2)cc(OC)c1OC(C)=O 1083849889 LBSMTHDMQSNNMW-UHFFFAOYSA-N 458.862 2.086 50 10 JEGE Nc1c(C(=O)NNC(=S)NC(=O)/C=C/c2ccccc2Cl)nnc2cc(-c3ccccc3)nn12 1088669538 PLSDAFGPOYZOQS-ZHACJKMWSA-N 492.952 2.376 50 10 JEGE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NNC(=O)CSc2ccccc2O)cc1 1214686782 HOGWVUBEMHJSMQ-UHFFFAOYSA-N 450.542 2.144 50 10 JEGE O=S(=O)(N1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1)N1CCCC[C@H]1CBr 2179816100 IOQPUXQFYSRAAF-FHWLQOOXSA-N 458.422 2.066 50 10 JEGE COc1ccc(B(O)O)cc1NC(=O)[C@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21 2248415318 YOMQVYBHADVFCJ-HNNXBMFYSA-N 460.295 2.241 50 10 JEGE COc1ccc(/C(C)=N/NC(=O)CSc2nnc(CCc3ccccc3)n2N)c(OC)c1 58991349 CMWJDGCBVKJDHL-BUVRLJJBSA-N 454.556 2.427 50 10 JEGE COc1cc(C)c(C)cc1S(=O)(=O)NNC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@H](C)C3 1860770573 OEWWJQSNJBQECS-LBPRGKRZSA-N 490.607 2.218 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@@H]2C[C@H](C[C@@H]2Br)C1 1999843827 PHZDANCOTVEMAL-KEYYUXOJSA-N 455.374 2.498 50 10 JEGE C[C@]12CN(S(=O)(=O)CCCCN3C(=O)c4ccccc4C3=O)C[C@]1(CBr)C2 2001060519 ZAAUPRUWJPTDRN-RBUKOAKNSA-N 455.374 2.500 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2OCCC[C@@]2(CCl)C1 2239163365 UOXFVVZBMRQGCS-DYESRHJHSA-N 454.976 2.358 50 10 JEGE C[C@@H](c1cc(B(O)O)cs1)N(C)C(=O)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2268679051 BVPUKOCJHJCPHZ-LPHOPBHVSA-N 476.404 2.448 50 10 JEGE CN(C=C(C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 2324606081 UCTZUQPRLMYPPP-XMMPIXPASA-N 478.618 2.447 50 10 JEGE CC(C)COc1ccccc1/C=N\NC(=O)[C@H](Sc1n[nH]c(=O)[nH]c1=O)c1ccccc1 169891723 FIZSGYVQTJCWHF-OMMIQNFISA-N 453.524 2.477 50 10 JEGE C[C@@H]1CCCCN1Cc1c(C(=O)NN=Cc2c(O)ccc3ccccc23)nnn1-c1nonc1N 254441232 NZZHNYHXQUDBRR-CQSZACIVSA-N 475.513 2.230 50 10 JEGE COc1ccc(Br)cc1C=NNc1nc(SCC(=O)NNC(=O)C2CCC2)n[nH]1 1084163559 BNIYFCCLMUEYLY-UHFFFAOYSA-N 482.364 2.061 50 10 JEGE Nn1c(SCC(=O)NN=Cc2cccc(Cl)c2)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084602804 FVHIHGIWBVIJHN-UHFFFAOYSA-N 476.862 2.371 50 10 JEGE CC1(C)CN(Cc2ccccc2)[C@@H](CNS(=O)(=O)N2CCC(Br)CC2)CO1 2194647826 AWDPOQJHRCHWCM-SFHVURJKSA-N 460.438 2.360 50 10 JEGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2c(B(O)O)cccc21 2248399163 ZOWZPYYBCYEGPK-MRXNPFEDSA-N 456.307 2.183 50 10 JEGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CCC[C@H](Br)[C@@H]1C(F)(F)F 2303942296 RSRBGOQMYNPBBL-QWHCGFSZSA-N 469.279 2.403 50 10 JEGE N#CC1=C(N)n2c(s/c(=C/c3ccc(Cl)cc3)c2=O)=C(C(N)=O)[C@H]1c1ccc(Cl)cc1 2231269 PBMDKDDMNVUTQE-NDCSFFLDSA-N 469.353 2.130 50 10 JEGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCC)cc2)cc1 14022065 LRCXVUTWQYZWBK-UHFFFAOYSA-N 459.524 2.367 50 10 JEGE O=C(CCCCCCCC(=O)NNC(=O)Cc1ccccc1)NNC(=O)Cc1ccccc1 100044247 TVBSRBNALMORSZ-UHFFFAOYSA-N 452.555 2.497 50 10 JEGE COc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CSc2ccccc2)cc1 254485389 SWTDCWIXSDJSHA-UHFFFAOYSA-N 450.484 2.297 50 10 JEGE CC(=O)O[C@H]1[C@H](OC(C)=O)[C@H](CI)O[C@H](Oc2ccccc2)[C@H]1OC(C)=O 504390556 GSJYCHGFHMUGRN-ADHGMGHFSA-N 492.262 2.020 50 10 JEGE biogenic C[C@@H]1[C@@H](CBr)CCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000538689 IJBGNUORMDNEPJ-SNUQEOBHSA-N 461.353 2.446 50 10 JEGE CN(C)C[C@@H]1C[C@@H](Br)CN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2122373713 FMOYDUJRXISBIV-CABCVRRESA-N 486.432 2.038 50 10 JEGE O=C(NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1)c1cc(Cl)cc(B(O)O)c1 2267359738 NJGYRAFGIZJSJN-UHFFFAOYSA-N 464.758 2.221 50 10 JEGE C[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1)c1ccc(B(O)O)cc1 2268635837 WETJXZOKVALZSX-LZJOCLMNSA-N 456.348 2.042 50 10 JEGE O=C(C=Cc1ccc(Cl)cc1)NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 2314109220 QBXMBMZKCZQCSI-KRWDZBQOSA-N 456.955 2.424 50 10 JEGE CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2I)cc1 12501547 GMGFKUWXWHJZKB-UHFFFAOYSA-N 482.303 2.199 50 10 JEGE COc1ccc(C(=O)NNC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)cc1Br 12502100 SLTFBFBBDNBXLH-UHFFFAOYSA-N 453.274 2.315 50 10 JEGE COCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1C 14660610 NZFOBYPOFFSQOI-UHFFFAOYSA-N 451.932 2.388 50 10 JEGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)N[C@H]2CCN(CC(F)(F)F)C2)cc1 747194415 IEFSMPCXATWJJW-BXBHGGAKSA-N 490.486 2.094 50 10 JEGE N#C/C(=C\c1ccc[nH]1)C(=O)NNC(=S)NC(=O)/C=C/c1ccc(Br)s1 1088720999 RFPXTCUUDQDVNO-ONNLMXTPSA-N 450.343 2.481 50 10 JEGE C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NN(C)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1466673228 CXKSBTOIOGEYAL-MRXNPFEDSA-N 457.531 2.137 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCCOCCCBr 1997687369 XJUKWVUSSDUREL-UHFFFAOYSA-N 461.378 2.030 50 10 JEGE CC(C)(C)OC(=O)N1CCC(c2nc(NS(=O)(=O)CI)n[nH]2)CC1 2012991802 PEAUXMSECJTNIU-UHFFFAOYSA-N 471.321 2.053 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@H]1CC[C@H](CBr)CO1 2253715630 LWHYFNDYCNOYND-HUUCEWRRSA-N 473.389 2.172 50 10 JEGE CN(Cc1cccc(B(O)O)c1)C(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 2319044903 SFQPJBSSLOKHRP-UHFFFAOYSA-N 470.334 2.396 50 10 JEGE C[C@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)COc4ccccc4Cl)c(=O)c23)C1 1860770210 XYXRGHGNZMUPKQ-LBPRGKRZSA-N 460.943 2.463 50 10 JEGE O=C(NOCCCNC(=O)c1cc(B(O)O)ccc1F)OCC1c2ccccc2-c2ccccc21 1963589413 WKJGYAKRGKWVNQ-UHFFFAOYSA-N 478.285 2.096 50 10 JEGE CN(C[C@@H](Br)C1CC1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000531744 DPBNXAPDOQGWES-CRAIPNDOSA-N 461.353 2.446 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](Br)C(F)(F)C1 2000543673 XXUQGUWMZZNRNL-DOMZBBRYSA-N 469.279 2.055 50 10 JEGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1C[C@@H](CBr)C2(CCCC2)C1 2006547059 JXHKQBUEFQFQPT-CQSZACIVSA-N 455.374 2.500 50 10 JEGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCC(Br)CC2)CC2(CC2)C1 2123438736 BEEXLPOBWSXCSG-UHFFFAOYSA-N 452.415 2.423 50 10 JEGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)N1CCCc2ccc(B(O)O)cc21 2284043735 XBFSCYBLVAYAIT-OAQYLSRUSA-N 468.359 2.146 50 10 JEGE O=C(NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1)c1cc(B(O)O)c(F)cc1Cl 2285930783 JEFZSVHLQKYDNZ-UHFFFAOYSA-N 482.748 2.360 50 10 JEGE COc1ccc(OC)c(C=CC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1 2325893319 NCMXMGIGBGIJQE-AWEZNQCLSA-N 482.562 2.461 50 10 JEGE COc1cc(C(C)=NNC(=O)c2c(C)nnn2-c2nonc2N)ccc1OCc1ccc(F)cc1 254868865 WJOCEQBYJJCTNY-UHFFFAOYSA-N 480.460 2.422 50 10 JEGE CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NNc3ncnc4ccsc34)CC2)c1 1294546944 MOBCTDCPHRFKEW-UHFFFAOYSA-N 459.553 2.438 50 10 JEGE Cc1c(N2C[C@@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)cccc1[N+](=O)[O-] 1872962275 SBBBMAGAQRYKRA-IRXDYDNUSA-N 466.498 2.033 50 10 JEGE O=C(NCCC(=O)N1CCc2cc(B(O)O)ccc21)OCC1c2ccccc2-c2ccccc21 2248883358 SAJKKQZMQWNVLO-UHFFFAOYSA-N 456.307 2.184 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC2(CC[C@@H](CBr)O2)C1 2315125248 YKMFJYVVNVYVFE-AWEZNQCLSA-N 471.373 2.021 50 10 JEGE CN1CCC(N(C)c2ncnc(NNC(=O)c3ccc(Br)cc3)c2[N+](=O)[O-])CC1 40657915 SIFFRDNWBVTSTL-UHFFFAOYSA-N 464.324 2.435 50 10 JEGE COc1ccc(C(=O)N/N=C2/C(=O)N(CCN3C(=O)c4ccccc4C3=O)c3ccccc32)cc1 59471824 WBYCISHJFHYRTQ-HPNDGRJYSA-N 468.469 2.472 50 10 JEGE COc1cc(C=NNC(=O)Cn2nnnc2N)ccc1OCc1ccc(Cl)cc1Cl 254842458 JYNYRJRPYFUDIN-UHFFFAOYSA-N 450.286 2.300 50 10 JEGE CC(C)(C)OC(=O)NCCN1CCN(S(=O)(=O)c2ccc(CBr)cc2)CC1 1260505573 IFCLVQNXTBEZQT-UHFFFAOYSA-N 462.410 2.413 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2[C@@H](CBr)C[C@H]2C1 2053980081 GSEDREHKPDCAOG-FKPWOLHESA-N 473.364 2.303 50 10 JEGE COCC1(NS(=O)(=O)N2CCC(Br)CC2)CCN(C(=O)OC(C)(C)C)CC1 2162598194 ADTQPLLPYDDNOZ-UHFFFAOYSA-N 470.430 2.096 50 10 JEGE O=C(c1ccc(I)cc1)N1C[C@@H]2OC[C@@H](CBr)O[C@H]2C1 2279908746 QCSGRRYCVXXEDO-AGIUHOORSA-N 452.086 2.295 50 10 JEGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(B(O)O)cc1F 2317672536 YBRURYCHCKSOGS-XMMPIXPASA-N 476.313 2.439 50 10 JEGE CCOCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1 9826174 SKCRVFHAHLRGDS-UHFFFAOYSA-N 451.932 2.470 50 10 JEGE COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)c(C)c2)cc1 12502833 ZGIHGJADASFIKY-UHFFFAOYSA-N 452.330 2.481 50 10 JEGE O=C(COc1ccc(Br)cc1)NC(=S)NNC(=O)c1ccccc1[N+](=O)[O-] 12572005 CMDNMPHQVXJIMO-UHFFFAOYSA-N 453.274 2.072 50 10 JEGE CCOc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1Br 13629987 PYRQCMNQTISYJO-ZDUSSCGKSA-N 450.289 2.251 50 10 JEGE CC(C)COc1ccc(C(=O)NNC(=S)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 14025031 DBXASTQDURAXSS-UHFFFAOYSA-N 461.456 2.487 50 10 JEGE COc1ccccc1C(=O)NNc1ncnc(NNC(=O)c2ccccc2Br)c1N 40784951 HNAADHAGRWHRLI-UHFFFAOYSA-N 472.303 2.344 50 10 JEGE COc1ccc(C(C)=NNC(=O)c2nnn(-c3nonc3N)c2-c2cccs2)cc1OC 254627343 SHTPIDVTBAXXIR-UHFFFAOYSA-N 454.472 2.132 50 10 JEGE CCC[C@@H]1C[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@@H](O)[C@@H]3OC(C)(C)O[C@@H]23)N(C)C1 575232295 HCPHMGDEJJICGS-VAVUEMJESA-N 465.056 2.188 50 10 JEGE in-vitro C=CCN1C(=O)C(=O)N(CC(=O)NNc2c(Cl)cc(Br)cc2Cl)C1=O 1531100860 IMWVLQLKSMTBDB-UHFFFAOYSA-N 450.076 2.176 50 10 JEGE Cc1c(N)cc(B(O)O)cc1CN1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887522829 RZOJMWXYIRBFCN-UHFFFAOYSA-N 471.366 2.324 50 10 JEGE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(CNS(=O)(=O)N2CCC(Br)CC2)C1 2136065053 LBUIJNQLNVCOII-GUYCJALGSA-N 452.415 2.327 50 10 JEGE N#CC(=CN=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(F)cc1)C(=O)NCc1ccco1 2296553717 KAUAVNXJOQEGNM-RTBURBONSA-N 474.539 2.213 50 10 JEGE CC(C)CNC(=O)C(C#N)=CN=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(N(C)C)cc1 2296571256 NDQMUIYPDOLYEX-MOPGFXCFSA-N 461.613 2.007 50 10 JEGE CN1CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)[C@@H](CBr)C1 2338853265 WNVIGTCKKBHZFU-INIZCTEOSA-N 486.432 2.184 50 10 JEGE CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NNC(=O)C1CCN(c3ncccn3)CC1)O[C@@H](C)C2 730495321 BOSKRVIPQIBFPK-QSFXBCCZSA-N 465.554 2.366 50 10 JEGE CCN1CC[C@H](CNC(=O)/C(C#N)=C\c2cn(CCC(N)=O)nc2-c2ccc(Cl)cc2)C1 730937317 QQTPNYXANXOENV-CJMVGXJBSA-N 454.962 2.444 50 10 JEGE CCOC(=O)COc1c(I)cc(/C=C(\C#N)C(=O)N(C)C)cc1OC 1084580622 UUWHWJMGPQRFBG-WUXMJOGZSA-N 458.252 2.237 50 10 JEGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)C1 1873777995 YPARLDZYJJUYPF-KRWDZBQOSA-N 473.489 2.466 50 10 JEGE CC(C)(C)OC(=O)N1CC(N(CC2CCOCC2)S(=O)(=O)CI)C1 2007723039 USHAWFSRDXLLCA-UHFFFAOYSA-N 474.361 2.057 50 10 JEGE O=C(OCc1ccccc1)N1CCOC[C@@H](NS(=O)(=O)CCC(CCl)CCl)C1 2044259447 IRFRCSNKKILLRR-KRWDZBQOSA-N 453.388 2.427 50 10 JEGE CC[C@@]1(CBr)COCCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2049902742 BTWFEGAYUFSQCR-LJQANCHMSA-N 473.389 2.269 50 10 JEGE CN(C)[C@@H]1CN(C(=O)c2c(Br)c(Br)nn2C)C[C@@H]1Br 2338673547 MHLFCDIECFBQMQ-NKWVEPMBSA-N 458.980 2.095 50 10 JEGE COc1ccccc1OCC(=O)Oc1ccc(/C=C(\C#N)C(=O)N2CCOCC2)cc1OC 41014715 FWBQACUPPBANDO-QGOAFFKASA-N 452.463 2.454 50 10 JEGE CCN(CC)c1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCC(C)CC2)cc1 254310975 MQPIYEZQFZSIEF-UHFFFAOYSA-N 480.577 2.075 50 10 JEGE CCOc1ccc(C(C)=NNC(=O)c2nnn(-c3nonc3N)c2CN(C)c2ccccc2)cc1 254605499 DSTKIDOIQJDEEM-UHFFFAOYSA-N 475.513 2.422 50 10 JEGE CCOc1ccc(-c2c(C(=O)NN=C(C)c3ccc(OC)cc3)nnn2-c2nonc2N)cc1 254736980 JYENLNIFFOYYFZ-UHFFFAOYSA-N 462.470 2.461 50 10 JEGE O=C(CNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)NN=Cc1ccc(C(F)(F)F)cc1 254837668 KXKVAMYGGXDXGF-UHFFFAOYSA-N 482.484 2.370 50 10 JEGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=N)N)CCC2 1772750456 UVDVVIPLUKCKFA-UHFFFAOYSA-N 467.313 2.258 50 10 JEGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)Cc4ccccc4[N+](=O)[O-])c(=O)c23)C1 1860771116 KJFYUPDLIQHART-CHWSQXEVSA-N 469.523 2.442 50 10 JEGE Cc1ccn2cc(C(=O)NNC(=O)[C@@H](C)n3cnc4sc5c(c4c3=O)CCCC5)nc2c1 1860772028 OSFSPMOFHUWQET-CYBMUJFWSA-N 450.524 2.315 50 10 JEGE CN(Cc1ccc(B(O)O)s1)C(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21 2243914174 ABXJRLDOAFJNHU-UHFFFAOYSA-N 464.352 2.315 50 10 JEGE CC(C)(C)OC(=O)N1CCN(C[C@]2(CBr)CC2(F)F)[C@@H]2CS(=O)(=O)C[C@@H]21 2351887081 JDYVXALLMWYPFC-TYNCELHUSA-N 459.353 2.125 50 10 JEGE CC1(C)O[C@@H]2O[C@H](C(=O)N/N=C/c3cccc(Br)c3)[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2O1 13601017 VWRYINVXIDQZFU-KMUFLGAISA-N 455.305 2.296 50 10 JEGE CCCN(CCC)Cc1c(C(=O)N/N=C/c2ccccc2OCC)nnn1-c1nonc1N 20037842 HHVZGRBENMPWCM-YDZHTSKRSA-N 455.523 2.017 50 10 JEGE Cc1cccc(NC(=O)C(=O)N/N=C2/C(=O)N(CC(=O)Nc3ccccc3)c3ccccc32)c1 100146045 NCJYQKINQFJJKM-XAYXJRQQSA-N 455.474 2.439 50 10 JEGE COC(=O)CN1C(=O)C(=NNC(=O)Cn2c(C(F)(F)F)nc3ccccc32)c2ccccc21 1084064037 HDERRMDIKLQCFT-UHFFFAOYSA-N 459.384 2.095 50 10 JEGE COCC[C@@]1(NS(=O)(=O)CI)CCCN(C(=O)OC(C)(C)C)C1 1983331342 WHCKOJDUYLSUQE-AWEZNQCLSA-N 462.350 2.105 50 10 JEGE O=S(=O)(C[C@H](Br)c1sccc1I)N1CCOCC1 2028949062 OIVSJPLBEQRNGS-QMMMGPOBSA-N 466.160 2.451 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1C[C@H](CBr)[C@H]2C[C@H]21 2048005881 QCVLMFOOXDLKLE-YPFBOASTSA-N 473.364 2.350 50 10 JEGE O=C(Cc1cccc2ccccc12)NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 13623411 ZDRHTBYNBPNGLB-HXUWFJFHSA-N 460.559 2.453 50 10 JEGE Cc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2)cc1I 13977119 UKASELKOCNMMCY-UHFFFAOYSA-N 469.304 2.314 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](F)C[C@@H](Br)C1 2213903686 LFBRKPHCUMHJGS-CHWSQXEVSA-N 461.353 2.446 50 10 JEGE COc1ccc(NC(=O)[C@@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)c(B(O)O)c1 2248401493 JQNSHWXOISJMNM-OAHLLOKOSA-N 460.295 2.241 50 10 JEGE COc1ccc(NC(=O)[C@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1B(O)O 2301526786 NAMMVNZJINQQDR-HNNXBMFYSA-N 460.295 2.241 50 10 JEGE Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)/C=C\c2cccc(Br)c2)cc1 96653061 QWRLMLQVSPPDQN-FLIBITNWSA-N 466.357 2.239 50 10 JEGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NNS(=O)(=O)c4ccc(F)cc4)c(=O)c23)C1 1860770749 VRYCHESDKHCVHJ-RYUDHWBXSA-N 464.544 2.293 50 10 JEGE CCc1cc2c(=O)n(CC(=O)NNC(=O)[C@@H]3CC(=O)N(c4c(C)cccc4CC)C3)cnc2s1 1865845496 SYWQAGDTFALNCU-MRXNPFEDSA-N 481.578 2.092 50 10 JEGE O=C(OCc1ccccc1)N1CCC(F)(CNS(=O)(=O)CI)CC1 1884473720 HKMUMBBJMOEHQZ-UHFFFAOYSA-N 470.304 2.439 50 10 JEGE COC(=O)[C@H](Br)CN(Cc1ccccc1)CC1(O)CN(C(=O)OC(C)(C)C)C1 1955894103 POIXIUDGAZTPKJ-MRXNPFEDSA-N 457.365 2.407 50 10 JEGE COC[C@@]1(CNS(=O)(=O)CI)CCCCN1C(=O)OC(C)(C)C 1983326580 CBPSDGYDIQWIRN-AWEZNQCLSA-N 462.350 2.105 50 10 JEGE CC1(C)CN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)[C@H]1CBr 2000539340 AENOVPVGRPAXKE-KBXCAEBGSA-N 461.353 2.446 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2[C@H](CBr)C[C@H]2C1 2053980082 GSEDREHKPDCAOG-MCBIMKKHSA-N 473.364 2.303 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1C[P@](C)(=O)C[C@H]1Br 2057715217 SIOMIYLDGVMWRY-LGRMXARXSA-N 491.344 2.367 50 10 JEGE CC(C)(C)OC(=O)N1C[C@H]2CCN(S(=O)(=O)N3CCC(Br)CC3)C[C@@H]2C1 2106773720 UCUSOFRYUXDSIB-KGLIPLIRSA-N 452.415 2.279 50 10 JEGE CN(C[C@@]1(Oc2ncccc2B(O)O)CCCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C 2270915641 ZVGXFLHCJXHUFY-DEOSSOPVSA-N 455.364 2.042 50 10 JEGE COc1ccc(C(=O)NNC(=O)COc2ccccc2OC)cc1I 12484234 IYYATTNFCMFPRB-UHFFFAOYSA-N 456.236 2.148 50 10 JEGE CCN1CCN(c2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)NCCc2ccccc2)CC1 33930847 MSBMEMPIMZDJEN-PYCFMQQDSA-N 470.577 2.411 50 10 JEGE COc1ccc(C(=O)NN=C2C(=O)N(CN3CCOCC3)c3ccc(Br)cc32)cc1 252596385 CIWYDKKMUPZLJH-UHFFFAOYSA-N 473.327 2.228 50 10 JEGE C=CCNS(=O)(=O)c1ccc(CC(=O)NNC(=O)c2cc3c(s2)CC[C@H](C)C3)s1 1628479413 ZUGSTZWAWKOVHV-LBPRGKRZSA-N 453.611 2.402 50 10 JEGE Cc1c(C(=O)NCCN2CCOCC2)oc2c1C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772746681 ZLJUKGXGZSLDOJ-UHFFFAOYSA-N 469.498 2.029 50 10 JEGE CCOc1ccc(/C=C/C(=O)NNC(=O)Cn2cnc3sc(CC)cc3c2=O)cc1OC 1860770250 ZRMVFIZSWOZXCA-VQHVLOKHSA-N 456.524 2.289 50 10 JEGE COc1ccc(Cl)cc1S(=O)(=O)NNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 1860770405 HFCMTIMOVGXASC-UHFFFAOYSA-N 482.971 2.009 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@](F)(CBr)C1 2000539750 MHKGPGOSCXRPBD-IAGOWNOFSA-N 465.316 2.150 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCC[C@@H](OCCBr)C1 2050834771 RLOYKUZVKRKQHJ-OAHLLOKOSA-N 473.389 2.269 50 10 JEGE C[C@H]1CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C[C@H](CCBr)O1 2058882087 HSZSOOOJIWUVJN-GJZGRUSLSA-N 473.389 2.267 50 10 JEGE CN(CCCBr)S(=O)(=O)N1CCC[C@@]2(CN(Cc3ccccc3)CCO2)C1 2179867124 RBWIQOBBCRIRNK-LJQANCHMSA-N 460.438 2.315 50 10 JEGE CC(C)(C)OC(=O)N(CCOc1ncc(Br)cc1B(O)O)Cc1cccs1 2240282702 DVEVEONXYHXNCZ-UHFFFAOYSA-N 457.155 2.402 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2CC[C@@H](CCl)O[C@H]2C1 2289349484 SNMOTHQUNDOMHH-CXIBIASBSA-N 458.939 2.059 50 10 JEGE CC(C)CCNC(=O)C(C#N)=CN=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc2c(c1)OCO2 2296556027 SAVPTONVMVDEKY-APWZRJJASA-N 476.580 2.060 50 10 JEGE O=C(CCc1ccccc1Cl)NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 13623630 FMTUCXAEENGTGA-QGZVFWFLSA-N 458.971 2.343 50 10 JEGE O=C(NN=C1[C@H]2OC[C@@H](O2)[C@@H]2[C@H](C(=O)c3cccs3)[C@H]12)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 252623782 OZCNKKYIDMVWOO-YGOYBRAMSA-N 458.408 2.151 50 10 JEGE Cc1ccc2c(c1)C(=NNC(=O)C(=O)Nc1cccc(C(=O)O)c1)C(=O)N2CC(=O)Nc1ccccc1 254614990 LASOUDRVIGALDC-UHFFFAOYSA-N 499.483 2.138 50 10 JEGE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)NN=Cc1cnn(CCOC)c1 1083851488 IJQBDEYGWCWHDU-UHFFFAOYSA-N 468.587 2.470 50 10 JEGE Cc1ccc(C)c(OCC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)c1C 1865851745 IARAHKKIPXBOLB-UHFFFAOYSA-N 454.552 2.488 50 10 JEGE CO[C@@H](CCBr)CNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2002977745 BKXHZIOFMMPFBL-ZDUSSCGKSA-N 461.378 2.028 50 10 JEGE CO[C@]1(CBr)CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2029213280 SGXHALFOXGZCJI-IBGZPJMESA-N 473.389 2.269 50 10 JEGE COC1CC(CBr)(NS(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 2077900289 DWGQEUFDLRHGMY-UHFFFAOYSA-N 473.389 2.171 50 10 JEGE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@H](NS(=O)(=O)N1CCC(Br)CC1)C2 2106303811 YMMIXWRYZUDQOO-CFVMTHIKSA-N 452.415 2.468 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@@]2(C[C@H](Br)CO2)C1 2137121100 JDADFQUFKSIHHF-MGPUTAFESA-N 485.400 2.411 50 10 JEGE CC(C)(C)c1ccc(OCC(=O)NC(=S)NNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 13976451 FXFUYUCGWHOBBG-UHFFFAOYSA-N 460.512 2.372 50 10 JEGE COc1cc(/C=N/NC(=O)CCCSc2nnc(-c3ccccc3)n2N)c([N+](=O)[O-])cc1O 58992140 YLZNFVPIVVOWIN-WSDLNYQXSA-N 471.499 2.304 50 10 JEGE CNS(=O)(=O)c1ccccc1N1CCN(S(=O)(=O)c2ccc(CCCCl)cc2)CC1 727836138 WBUBVBNZRQUMGW-UHFFFAOYSA-N 472.032 2.277 50 10 JEGE C#Cc1cccc(NC(=S)NNC(=O)[C@H]2C[C@@H](OC)CN2C(=O)OCc2ccccc2)c1 1176937622 QLUUVTSENILJCF-WOJBJXKFSA-N 452.536 2.412 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CCBr)C(F)F 2000542446 VIJRQWQWUOSDDA-BLLLJJGKSA-N 471.295 2.349 50 10 JEGE N#CC(=CN=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1)C(=O)NCc1ccccc1 2297471481 CADIJGPZBWXFBH-WOJBJXKFSA-N 452.561 2.485 50 10 JEGE CC(C)(C)OC(=O)N1CC(O)(C2CCN(CCOCCI)CC2)C1 2306804098 FFTBGVWKOSOZAM-UHFFFAOYSA-N 454.349 2.132 50 10 JEGE O=S(=O)(NCCC12CC(I)(C1)C2)N1CCC(Br)CC1 2353112909 MNVIOOATKPIFFL-UHFFFAOYSA-N 463.179 2.428 50 10 JEGE O=C(COc1ccccc1)NC(=S)NNC(=O)c1ccccc1I 12502137 DBXCXZXYZKNRTF-UHFFFAOYSA-N 455.277 2.006 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1CCCN(CCBr)C1 703998561 CPDXGMRFGRLFQE-OAHLLOKOSA-N 486.432 2.088 50 10 JEGE CC(=O)N1CCN(CCOc2ccc(CCNC(=O)[C@]3(C)C[C@@H]3Br)cc2)CC1 1136576045 ULLCQMUXOSRQCH-PZJWPPBQSA-N 452.393 2.062 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Br)C(F)(F)C1 1946680669 HHRPDVSQMPTTFN-ZDUSSCGKSA-N 465.316 2.353 50 10 JEGE CN(C(=O)OC(C)(C)C)[C@H]1CN(S(=O)(=O)N2CCC(Br)CC2)CC12CC2 2140965175 OGQFGWMSDXXVGM-AWEZNQCLSA-N 452.415 2.422 50 10 JEGE CO[C@H]1CCN(S(=O)(=O)N2CCC(Br)CC2)[C@@H](CNC(=O)OC(C)(C)C)C1 2163056561 SSLJRLZXUNPXNZ-CABCVRRESA-N 470.430 2.095 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC(OCCCCl)CC1 2207517305 OGGXAVBVBBOEKM-HXUWFJFHSA-N 460.955 2.451 50 10 JEGE O=C(CCNC(=O)OCC1c2ccccc2-c2ccccc21)NCc1cc(B(O)O)ccc1F 2248888859 OZJPXGOTCJMGSQ-UHFFFAOYSA-N 462.286 2.051 50 10 JEGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1ccccc1B(O)O 2317613629 PJHBFSYJUHEJDU-RUZDIDTESA-N 472.350 2.342 50 10 JEGE O=C(N[C@H](C(=O)N/N=C/c1ccc([N+](=O)[O-])o1)c1n[nH]c(=O)c2ccccc12)c1ccccc1 27519316 BDLLKVOJEYSWML-DOUQRPAJSA-N 460.406 2.046 50 10 JEGE CCN1CC[C@H](CNC(=O)/C(C#N)=C/c2cn(CCC(N)=O)nc2-c2ccc(Cl)cc2)C1 730937323 QQTPNYXANXOENV-YCPFAOKUSA-N 454.962 2.444 50 10 JEGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3C)ccc1OCCN1CCOCC1 1865687534 UCIJYFLOTWDBPB-KRWDZBQOSA-N 479.459 2.377 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2C[C@H](Br)[C@H]1C2 2008058167 KEXBTBSHSFPXHG-NVJLRMAKSA-N 459.337 2.198 50 10 JEGE O=S(=O)(NC[C@@H]1CC1(Br)Br)N1CCC(Br)CC1 2213095578 PKQBIIZWQNYYSJ-ZETCQYMHSA-N 455.010 2.186 50 10 JEGE CC1(C)OCCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)[C@H]1CBr 2267679433 JEIIUTCXIWEVNP-HNAYVOBHSA-N 491.379 2.215 50 10 JEGE COC[C@@]1(C)C[C@@H](NC(=O)OC(C)(C)C)CN1S(=O)(=O)N1CCC(Br)CC1 2364162344 FTQTYOGNXQIKKI-RHSMWYFYSA-N 470.430 2.095 50 10 JEGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 10450742 MWMMAQSWSYXANV-IZZDOVSWSA-N 486.506 2.276 50 10 JEGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\NCCN1C(=O)CSC1=O 217254317 FZGVVDYZNJWMLL-FLIBITNWSA-N 470.292 2.231 50 10 JEGE CCCOc1ccc(-c2c(C(=O)NN=Cc3ccccc3[N+](=O)[O-])nnn2-c2nonc2N)cc1 254289681 CBDASBPXWJDKPX-UHFFFAOYSA-N 477.441 2.360 50 10 JEGE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(C)(C)O)c1 1447799979 DHBFCMFAPCFTHF-UHFFFAOYSA-N 451.932 2.253 50 10 JEGE C[C@@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)c4ccc(Br)o4)c(=O)c23)C1 1860770034 QCXFSGLCNIMXEV-SECBINFHSA-N 465.329 2.400 50 10 JEGE CCOc1ccc(N2C[C@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1 1872961620 MKCYQVGYEMEQHY-ZWKOTPCHSA-N 451.527 2.215 50 10 JEGE C#CC[C@@](C)(CBr)CNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2084846511 AIWTYWZYNHBBBM-OALUTQOASA-N 473.364 2.355 50 10 JEGE CN(C[C@H](O)CN(C)S(=O)(=O)c1ccc(CBr)cc1)C(=O)OC(C)(C)C 2106773105 QGLZYFDMSJDXFP-AWEZNQCLSA-N 451.383 2.430 50 10 JEGE CC(C)(C)OC(=O)NC[C@@H]1CC[S@](=O)(=NS(=O)(=O)N2CCC(Br)CC2)C1 2106776166 FJQAEVRMCOIKRW-UOXLDJKESA-N 474.443 2.103 50 10 JEGE CCOCCOCCOCCO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1I 2223304957 WNRRORHJBRULGZ-HUUCEWRRSA-N 473.348 2.496 50 10 JEGE CC(C)S(=O)(=O)N(C)NC(=O)c1ccc(I)c(Br)c1 2339767590 FSISXOAPAQCNKL-UHFFFAOYSA-N 461.119 2.369 50 10 JEGE COC(=O)/C(C#N)=C\c1c(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc2c(C)cccn2c1=O 2390572 ZHORVJAXEBVEJU-UYRXBGFRSA-N 487.516 2.134 50 10 JEGE CCOC(=O)CCC(=O)NC(=S)NNC(=O)COc1ccc2ccccc2c1Br 12570580 AZOQSDMNSBWTBV-UHFFFAOYSA-N 482.356 2.346 50 10 JEGE Nc1c(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cnc2ccccc12 32605518 HBTOXNRYXZDSBE-UHFFFAOYSA-N 453.524 2.066 50 10 JEGE Cc1c(N)cc(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc1B(O)O 1887551816 WPYUBXGLLLJQQL-UHFFFAOYSA-N 471.366 2.324 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CBr)CC(F)F 2000540972 HMRIZYRZEYEYQU-QFYYESIMSA-N 471.295 2.349 50 10 JEGE CN1CCN(CCO[C@@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)CC1 2264215113 HKJWGMKBJUPBOY-GOSISDBHSA-N 467.392 2.455 50 10 JEGE C[C@@H](NC(=O)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)c1ccc(B(O)O)cc1 2268629503 XGZGDWZOJYBRQH-UTKZUKDTSA-N 456.348 2.044 50 10 JEGE Cc1cc(Cl)c(B(O)O)cc1NC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2283957887 SWYOMYOIQBTGNK-XMMPIXPASA-N 487.793 2.436 50 10 JEGE CCN(CC)Cc1c(C(=O)NN=Cc2c(Cl)cccc2Cl)nnn1-c1nonc1N 2188275 WENLWSXLTXVXQS-UHFFFAOYSA-N 452.306 2.145 50 10 JEGE N#CSc1ccc(NC(=O)[C@@H](CO)NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)cc1 1866603578 KOVALZYSZRLDAH-HXUWFJFHSA-N 490.497 2.378 50 10 JEGE COc1ccc(N2C[C@@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)c(C)c1 1872961425 KYRWNKBTOCLZAO-MSOLQXFVSA-N 451.527 2.133 50 10 JEGE CC(C)(C)OC(=O)N1CCC[C@@H]([S@@](C)(=O)=NS(=O)(=O)CI)C1 1910107919 PFGHDIOGFHLQMR-LADRHHBVSA-N 466.363 2.206 50 10 JEGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1CBr 2264201016 BNFDKZGPOUMWRK-MRXNPFEDSA-N 463.353 2.434 50 10 JEGE CC(C)(C)OC(=O)N1CCN(C[C@@H](Br)C(F)(F)F)[C@@H]2CS(=O)(=O)C[C@@H]21 2308910737 OCMMUDDRSLIVGG-OUAUKWLOSA-N 451.305 2.031 50 10 JEGE Cc1cccc(C(=O)NCCS(=O)(=O)CCBr)c1I 2335778439 WNVGUAFDCGIUDG-UHFFFAOYSA-N 460.131 2.139 50 10 JEGE COC(=O)c1cccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)CC(C)C)cc2)c1 10294190 LYVSRQURHGRXDB-UHFFFAOYSA-N 456.524 2.407 50 10 JEGE COCCOC(=O)CCC(=O)NC(=S)NNC(=O)CCCOc1ccc(Cl)cc1Cl 14645273 HUXCTPNKJXQMDP-UHFFFAOYSA-N 480.370 2.144 50 10 JEGE C[C@]1(CBr)CC(F)(F)CN1S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 1996897237 BSSPVYBAHDIAAS-MRXNPFEDSA-N 465.316 2.497 50 10 JEGE C#CC[C@](C)(CBr)CNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2084846510 AIWTYWZYNHBBBM-MOPGFXCFSA-N 473.364 2.355 50 10 JEGE CC(C)(C)OC(=O)N1CCC[C@](F)(CNS(=O)(=O)N2CCC(Br)CC2)C1 2106298064 JKBTUYSNAGTJTO-INIZCTEOSA-N 458.394 2.419 50 10 JEGE Cc1cc(B(O)O)sc1CN(C)C(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2268701337 OFSYUFJQBNHNNM-GOSISDBHSA-N 476.404 2.195 50 10 JEGE CN(C[C@@]1(Oc2ccc(B(O)O)cc2C#N)CCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C 2364752449 XALODDKSFYXLPT-VWLOTQADSA-N 465.359 2.128 50 10 JEGE CCOC(=O)N1CCN(c2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2N)CC1 40795605 IVIFVIFNPARTJQ-UHFFFAOYSA-N 484.344 2.166 50 10 JEGE NS(=O)(=O)c1ccc(N(CCI)CCI)cc1 95876142 ZHSBSFPDRPSVCP-UHFFFAOYSA-N 480.109 2.010 50 10 JEGE COC(=O)[C@@H](I)CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 234583629 CFXBKSYGAXKRCX-VIFPVBQESA-N 457.018 2.064 50 10 JEGE CC(C)N(CCOCCBr)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 703975565 WIHQQYJWKIHBDB-UHFFFAOYSA-N 461.378 2.124 50 10 JEGE COc1cccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)NCc3ccco3)cc2)c1 1084267278 SPWHPGFELUYMHH-UHFFFAOYSA-N 450.451 2.072 50 10 JEGE C=CCc1cccc(C=NNc2nc(SCC(=O)NNC(=O)c3ccccc3)n[nH]2)c1O 1084416607 DQJAFSFWQGMCHY-UHFFFAOYSA-N 451.512 2.238 50 10 JEGE CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)C1 1865852431 WCYWKSCMTQIRCG-CQSZACIVSA-N 489.598 2.131 50 10 JEGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C2)C1 1872960328 BSMFHRXQVXDILC-LSDHHAIUSA-N 486.916 2.378 50 10 JEGE CCc1ccc(N2C[C@@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1[N+](=O)[O-] 1872961871 NAFIHCPWGPFZGT-MSOLQXFVSA-N 480.525 2.287 50 10 JEGE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)S(=O)(=O)CBr 1953582090 URHVXULUMDJHPC-UHFFFAOYSA-N 460.391 2.020 50 10 JEGE CC[C@H](C)[C@H](CI)NS(=O)(=O)c1cc(Br)nn1C 2081241310 OPKGEBDFDYMVMH-YUMQZZPRSA-N 450.140 2.311 50 10 JEGE CC[C@@H](C)[C@H](CI)NS(=O)(=O)c1nn(C)cc1Br 2081254001 RXJIEIPHTDKMCP-APPZFPTMSA-N 450.140 2.311 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1[C@H](CBr)C[C@@H]2OCC[C@H]21 2090542622 RDTMYKJWHMEEJQ-QGTPRVQTSA-N 485.400 2.409 50 10 JEGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1ccc(B(O)O)cc1Cl)Cc1ccccc1 2255752160 GHKOWRHLMBEKFN-UHFFFAOYSA-N 472.803 2.343 50 10 JEGE Cc1c(NC(=O)[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)ccc(B(O)O)c1Cl 2256678388 DAVVYERZVWJYPX-GOSISDBHSA-N 462.739 2.377 50 10 JEGE C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1sc(Cl)cc1B(O)O 2320674659 JNUMOSFKTCXGIQ-ACJLOTCBSA-N 482.795 2.196 50 10 JEGE C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C(=O)OC)[C@H](OC(C)=O)[C@H](OC(=O)[C@](C)(O)[C@@H](C)Cl)[C@H]12 2333325339 BQXRLMULBZGQJI-QQLGUCCJSA-N 484.929 2.146 50 10 JEGE O=C(NC1(C(=O)N2CCc3c(cccc3B(O)O)C2)CC1)OCC1c2ccccc2-c2ccccc21 2341916652 XSOIZZPDBJNBTG-UHFFFAOYSA-N 482.345 2.322 50 10 JEGE COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 207227955 QGQGYKUIVJLRSS-VBKFSLOCSA-N 473.463 2.137 50 10 JEGE CCOc1cc(C=NNc2nc(SCC(=O)NNC(=O)c3ccc(F)cc3)n[nH]2)ccc1O 1084019574 HSBWYTGCUNTMCS-UHFFFAOYSA-N 473.490 2.047 50 10 JEGE CC(C)C(=O)NNC(=O)[C@@H](C)Sc1n[nH]c(NN=Cc2cccc(Br)c2)n1 1084146898 BZHLRHHZSINUQI-SNVBAGLBSA-N 454.354 2.297 50 10 JEGE COC(=O)c1ccc(C=NNc2nc(SCC(=O)NNC(=O)c3ccc(Cl)cc3)n[nH]2)cc1 1084478611 YBGSITQFMCHUMI-UHFFFAOYSA-N 487.929 2.244 50 10 JEGE COc1ccc(S(=O)(=O)CCC(=O)N[C@@H](CO)C(=O)Nc2ccc(SC#N)cc2)cc1Cl 1866807284 NLSAWSAGSJFSSW-KRWDZBQOSA-N 497.982 2.201 50 10 JEGE CC(C)(C)OC(=O)N1CCCC[C@@H]2[C@H](NS(=O)(=O)N3CCC(Br)CC3)[C@@H]21 2106306449 ZAQCWRDQODFIII-QLFBSQMISA-N 452.415 2.468 50 10 JEGE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H](NS(=O)(=O)N3CCC(Br)CC3)C[C@@H]21 2137369624 RTEDKPOXSJFBPI-CYUUQNCZSA-N 452.415 2.372 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC2(CC1)C[C@@H](Cl)CO2 2173127089 HNNSXHGDLYESAF-AUUYWEPGSA-N 458.939 2.203 50 10 JEGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1cccc(B(O)O)c1 2248402513 XXBVEAXWXFUFIX-QGZVFWFLSA-N 458.323 2.252 50 10 JEGE COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)NNC(=O)c1cc(OC)cc(OC)c1 2313682549 FVNWLQZZJQTFSX-UHFFFAOYSA-N 497.464 2.086 50 10 JEGE C=CCN1C(=O)c2ccc(C(=O)NNC(=O)COc3ccccc3Br)cc2C1=O 1132942523 JQRGZGOQSIMDKZ-UHFFFAOYSA-N 458.268 2.071 50 10 JEGE COC(=O)c1cccc(C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 1865852349 UARIQKTZTLMSOD-OLZOCXBDSA-N 468.535 2.392 50 10 JEGE CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)C1 1865852430 WCYWKSCMTQIRCG-AWEZNQCLSA-N 489.598 2.131 50 10 JEGE CC1(C)CO[C@@H](CBr)CN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2048619919 WEXKMROMZIHLGO-AWEZNQCLSA-N 473.389 2.267 50 10 JEGE N#CC(=CN=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1)C(=O)NCc1ccccc1 2297471479 CADIJGPZBWXFBH-UXHICEINSA-N 452.561 2.485 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NCCOCCBr 2301111926 WMYCDDLDGVLWCQ-UHFFFAOYSA-N 461.378 2.174 50 10 JEGE O=C(CSc1nnc(N/N=C/c2cc([N+](=O)[O-])ccc2O)[nH]1)NNC(=O)c1ccc(Cl)cc1 20923260 QKSGYFBTOOSDFQ-DNTJNYDQSA-N 490.889 2.071 50 10 JEGE Cc1cc(=O)c2nncn2n1CC(=O)N/N=C/Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 59442789 OHTXYBOAQRBRTJ-QPJQQBGISA-N 469.845 2.366 50 10 JEGE O=C(Cc1ccccc1)NCC(=O)N/N=C1/C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21 100431832 MZVWWDCUHCPIPX-XLVZBRSZSA-N 470.485 2.141 50 10 JEGE Cc1c(C(=O)NNC(=O)c2ccncc2)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772747950 QGOVSZMWIRYLPP-UHFFFAOYSA-N 490.476 2.365 50 10 JEGE O=C(NN=C1[C@H]2OC[C@@H](O2)[C@H]2[C@@H](C(=O)c3cccs3)[C@@H]12)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1848357822 OZCNKKYIDMVWOO-DGQOTAAJSA-N 458.408 2.151 50 10 JEGE CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1 1860770620 PWLCNZCEQKPHBQ-UHFFFAOYSA-N 497.558 2.093 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CCBr)C(F)F 2000542457 VIJRQWQWUOSDDA-WBMJQRKESA-N 471.295 2.349 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC2(C1)OCCC[C@H]2Br 2041670693 YTAQCNPECSLDJH-MRXNPFEDSA-N 471.373 2.021 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@]2(C[C@@H](Br)CO2)C1 2137121105 JDADFQUFKSIHHF-QRWLVFNGSA-N 485.400 2.411 50 10 JEGE COc1cc([N+](=O)[O-])ccc1NC(=O)C(C#N)=CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 2325226093 FIZGCVJCOLSQOJ-UHFFFAOYSA-N 485.522 2.264 50 10 JEGE O=C(NNc1ncnc(NCc2ccc3c(c2)OCO3)c1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 40585201 BLMQLWNLFFHYST-UHFFFAOYSA-N 453.371 2.391 50 10 JEGE CC(C)CNC(=O)/C(C#N)=C\N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(N(C)C)cc1 254309238 NDQMUIYPDOLYEX-KRIQEKEKSA-N 461.613 2.007 50 10 JEGE CC(=O)O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 616590435 RDLYSPHPIQHWLE-RHQZKXFESA-N 462.568 2.091 50 10 JEGE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)C1 728203741 MSTHRVSYDJKIJN-QGZVFWFLSA-N 461.588 2.186 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1C[C@@H](CCBr)C1 2021790545 BWUGAQRQCSEHJZ-JCGVRSQUSA-N 461.353 2.494 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@]1(CBr)CCCOC1 2108227705 JTIKTRGAWNETRD-MOPGFXCFSA-N 491.379 2.122 50 10 JEGE C[C@@H](C(=O)NNC(=O)Cc1ccccc1[N+](=O)[O-])n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860771117 KJFYUPDLIQHART-OLZOCXBDSA-N 469.523 2.442 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H]2C[C@@]2(CBr)C1 1942489666 PAHSOWYCNYOGNC-IFXJQAMLSA-N 455.374 2.500 50 10 JEGE Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C=Cc2cccc(Br)c2)cc1 2040444750 QWRLMLQVSPPDQN-UHFFFAOYSA-N 466.357 2.239 50 10 JEGE CC(C)(C)OC(=O)NCCSSCCN=c1[nH]c(Cl)nc2c1S(=O)(=O)CC2 2181748076 IEKZHYSXBMFAEF-UHFFFAOYSA-N 455.027 2.200 50 10 JEGE Cc1csc(C(=O)NCCCONC(=O)OCC2c3ccccc3-c3ccccc32)c1B(O)O 2247789496 XDXSJRQCPKUVLO-UHFFFAOYSA-N 480.351 2.327 50 10 JEGE Cn1nc(Br)c(Br)c1C(=O)N1CCN(CCBr)CC1 2338689966 AVLXZRSBZIZHQQ-UHFFFAOYSA-N 458.980 2.098 50 10 JEGE Cc1ccccc1OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCCc1ccccc1 13999291 UMAVVPGLIKWRFP-UHFFFAOYSA-N 457.552 2.352 50 10 JEGE O=C(CSc1n[nH]c(N/N=C/c2ccc([N+](=O)[O-])cc2)n1)NNC(=O)c1ccc(Cl)cc1 20923175 FBOGIXJEMCMQCX-AWQFTUOYSA-N 474.890 2.366 50 10 JEGE COc1ccc2c(c1)/C(=N\NC(=O)CCNC(=O)c1ccccc1Br)C(=O)N2C 33959347 WYFNYGAGNSOEBS-HKOYGPOVSA-N 459.300 2.075 50 10 JEGE O=C(NNC(=O)[C@@H](Oc1ccc(F)c(Cl)c1)c1ccccc1)N[C@H]1CCS(=O)(=O)C1 730534837 PHKVEJCHEJNOKV-GUYCJALGSA-N 455.895 2.117 50 10 JEGE CC(=O)N[C@@H](C(=O)NNC(=O)C(F)(F)Oc1ccccc1)c1cccc(Br)c1 1354315994 UHUMKLNECHWFHH-OAHLLOKOSA-N 456.243 2.446 50 10 JEGE COc1ccc(N2C[C@H](C(=O)N3CCN(C(=O)/C(C#N)=C/c4ccccc4)CC3)CC2=O)cc1 1873782340 YJCCJBSIGKVKSR-LSSXRZCCSA-N 458.518 2.326 50 10 JEGE CC(C)(C)OC(=O)N1C[C@@]23CCC[C@@]2(C1)CN(S(=O)(=O)CI)C3 1983329745 MPWQDWRYDKRSIT-HUUCEWRRSA-N 456.346 2.432 50 10 JEGE CC(C)(C)OC(=O)N[C@H]1CCC2(CCOCC2)N(S(=O)(=O)CI)C1 2018010092 FMXUJLQOPGEEEG-LBPRGKRZSA-N 474.361 2.247 50 10 JEGE CC(C)(C)OC(=O)NC[C@H]1CC[S@@](=O)(=NS(=O)(=O)N2CCC(Br)CC2)C1 2106776169 FJQAEVRMCOIKRW-YDBLSZJJSA-N 474.443 2.103 50 10 JEGE C[C@H](c1cc(B(O)O)cs1)N(C)C(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2268705269 BVPUKOCJHJCPHZ-VQIMIIECSA-N 476.404 2.448 50 10 JEGE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)N1CCCc2cccc(B(O)O)c21 2283936759 PQLZLFLHJRZGQS-FQEVSTJZSA-N 468.359 2.146 50 10 JEGE CCN1CCN(c2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)NCCc2ccccc2)CC1 2296732251 MSBMEMPIMZDJEN-UHFFFAOYSA-N 470.577 2.411 50 10 JEGE CN(C)C[C@H]1C[C@H](Br)CN1C(=O)c1c(Br)c(Br)nn1C 2364227904 GCHVHUQAOMDWQJ-JGVFFNPUSA-N 473.007 2.485 50 10 JEGE CCOC(=O)CCC(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 12570590 AUALJDHHPKBLDQ-UHFFFAOYSA-N 456.524 2.226 50 10 JEGE CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc(Br)c(C)c2)cc1 12573439 FDADUFYSHWEBDR-UHFFFAOYSA-N 479.356 2.430 50 10 JEGE COCCCNC(=O)/C(C#N)=C\c1c(N2CCN(Cc3ccccc3)CC2)nc2ccccn2c1=O 34262418 IAAQUDFGDHCXAD-PYCFMQQDSA-N 486.576 2.076 50 10 JEGE COc1ccc(O)c(/C=N/NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2N)c1 58988322 IMSOMFLTGNUCLZ-ZVBGSRNCSA-N 477.344 2.378 50 10 JEGE C#Cc1cccc(NC(=S)NNC(=O)c2sc(-c3c(C)c(C)nn(C)c3=O)nc2C)c1 1558199541 IBIHNOZSSYOFJY-UHFFFAOYSA-N 452.565 2.442 50 10 JEGE CCc1cccc(CC)c1N1C[C@@H](C(=O)NNC(=O)Cn2cnc3sc(C)c(C)c3c2=O)CC1=O 1865851470 CGVLVYANWXHPCT-SFHVURJKSA-N 495.605 2.400 50 10 JEGE COc1ccc(N2C[C@@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)c(C)c1 1872961527 KYRWNKBTOCLZAO-ROUUACIJSA-N 451.527 2.133 50 10 JEGE O=S1(=O)CCC(CBr)(CNS(=O)(=O)[C@H]2C[C@H](OCc3ccccc3)C2)CC1 2199812979 MEHSXWGSYMLOAZ-QAQDUYKDSA-N 480.446 2.244 50 10 JEGE Cc1cc(C(=O)N(OCc2ccccc2)C2CN(C(=O)OC(C)(C)C)C2)cc(C)c1B(O)O 2267034270 UNNGQFQLZWMWKO-UHFFFAOYSA-N 454.332 2.177 50 10 JEGE C[C@H](NC(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)c1cccc(B(O)O)c1 2268719058 XWJPZWLBZFGXBW-LAUBAEHRSA-N 456.348 2.044 50 10 JEGE COc1ccccc1OCC(=O)NC(=S)NNC(=O)CCC(=O)Nc1cccc(Cl)c1C 12571547 CYGLHMUMNSPFPT-UHFFFAOYSA-N 478.958 2.477 50 10 JEGE C[C@@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)NNC(=O)COc1cccc(C(F)(F)F)c1 96652880 ABPIMWQUEJIUHC-IWMPZKFUSA-N 471.457 2.210 50 10 JEGE CCOC(=O)C1=c2sc(=Cc3cccc(F)c3)c(=O)n2C(N)=C(C#N)[C@@H]1c1cccc(F)c1 252675585 ULJKWAGXZJHEBR-IBGZPJMESA-N 465.481 2.179 50 10 JEGE Cc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)cc1C 1084640489 NDSCEJMTBJNCBC-OAQYLSRUSA-N 452.511 2.066 50 10 JEGE CC(=O)N(c1ccc(NC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1)[C@@H]1C[C@H]1C 1562845205 JKMSNYBDPUGDHH-FOIQADDNSA-N 451.531 2.307 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@]2(C[C@@H](Br)CO2)C1 2081999725 VOIQKHFGCPASHW-KUHUBIRLSA-N 471.373 2.021 50 10 JEGE CC1(C)CN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@H](CBr)O1 2108243369 KMBFQTBVZAXXKS-DJJJIMSYSA-N 491.379 2.215 50 10 JEGE C[C@@H](CBr)N1CCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)CC1 2113063469 DYJOHOIDSFFWBO-HNNXBMFYSA-N 486.432 2.040 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](CBr)OCC12CC2 2127540672 FEKPGZPPUGRAJD-AWEZNQCLSA-N 485.400 2.267 50 10 JEGE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H](Br)C2CCCC2)[C@@H]2CS(=O)(=O)C[C@@H]21 2167034512 XCVXDBJRAMULEM-QLFBSQMISA-N 465.410 2.185 50 10 JEGE Cc1sc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc2ccccc2)c(B(O)O)c1C 2268655842 QHNVKXIOLOXDIH-QRWLVFNGSA-N 476.404 2.160 50 10 JEGE Cc1cc(Br)ccc1OCC(=O)NC(=S)NNC(=O)COc1ccc([N+](=O)[O-])cc1 13976318 IJXVXZBPGRVCAX-UHFFFAOYSA-N 497.327 2.145 50 10 JEGE COCCCNC(=O)C(=O)NN=Cc1ccccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 254404834 LSOSPXOPABZPHA-UHFFFAOYSA-N 480.443 2.326 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CCBr)C(F)F 2000542455 VIJRQWQWUOSDDA-MLGOLLRUSA-N 471.295 2.349 50 10 JEGE CC(C)(C)OC(=O)N1CC2(CC2)C[C@@H]1CNS(=O)(=O)N1CCC(Br)CC1 2106303530 VQDXLFULMVVOOL-CQSZACIVSA-N 452.415 2.470 50 10 JEGE Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)COc2ccc([N+](=O)[O-])cc2)c(C)c1 12572467 DRNZESVPFKDFMG-UHFFFAOYSA-N 473.511 2.031 50 10 JEGE CCCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=C(C)Cn2nnc([N+](=O)[O-])n2)cc1 252633754 WGELKDOLXWPNRZ-YXXJIKFTSA-N 492.496 2.333 50 10 JEGE O=C(CSCC[C@H](NC(=O)OCc1ccccc1)C(=O)O)NNC(=O)c1cccs1 312136609 DFPGKMHWYBJGQP-AWEZNQCLSA-N 451.526 2.012 50 10 JEGE COC(=O)c1cccc(C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1 1865852351 UARIQKTZTLMSOD-STQMWFEESA-N 468.535 2.392 50 10 JEGE O=C(NNC(=O)C(F)(F)F)c1cc(I)ccc1I 1923828814 YLOAIAFYZPUEGF-UHFFFAOYSA-N 483.953 2.219 50 10 JEGE CCN(CCS(C)(=O)=O)S(=O)(=O)c1cc(CBr)sc1Br 2179790585 GMDFCEQAUWRCMU-UHFFFAOYSA-N 469.242 2.461 50 10 JEGE CCN(CC)S(=O)(=O)c1cc(C(=O)NNC(=O)c2cn(C)c3ccccc23)ccc1OC 15093099 IKMDDVDRZISBJK-UHFFFAOYSA-N 458.540 2.292 50 10 JEGE Cc1ccc(S(=O)(=O)N2CCN(/C=C(/C#N)C(=O)Nc3ccccc3[N+](=O)[O-])CC2)cc1 216840436 NBVIZRXDFMFGAF-ICFOKQHNSA-N 455.496 2.256 50 10 JEGE CCCCOC(=O)c1ccccc1NC(=O)/C(C#N)=C\N(CCOC)[C@H]1CCS(=O)(=O)C1 217240787 BIFRDHWNCOYVIR-SOBQPUOHSA-N 463.556 2.125 50 10 JEGE CC(C)c1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCCC[C@H]2C)cc1 254395345 QEYUMEMBVKCAID-OAHLLOKOSA-N 451.535 2.494 50 10 JEGE Cn1cc(C(=O)NN=CC2=C(N3CCOCC3)/C(=C\c3cccc([N+](=O)[O-])c3)CC2)ccc1=O 254516295 CZMFDMDIWUYSER-XEHIKNTJSA-N 463.494 2.473 50 10 JEGE Cc1c(NC(=O)C(=O)NN=Cc2cccc(OC(=O)c3ccco3)c2)c(=O)n(-c2ccccc2)n1C 254612655 VKCJIMCMJORJKI-UHFFFAOYSA-N 487.472 2.385 50 10 JEGE CCN(Cc1cnn(C)c1)C(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1ccc(OC)cc1 743948376 GZDMTMTXVWLIHH-ODLFYWEKSA-N 461.526 2.123 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@](C)(CBr)C1CC1 2000543807 NSJCHGBUDPQTDR-ZWKOTPCHSA-N 461.353 2.494 50 10 JEGE O=C(NCC(=O)N1CCCc2cc(B(O)O)ccc21)OCC1c2ccccc2-c2ccccc21 2248398246 RXFKCWKFDWAKEZ-UHFFFAOYSA-N 456.307 2.184 50 10 JEGE CC(C)(C)OC(=O)N(CCCC(=O)N1CCc2ccc(B(O)O)cc2C1)Cc1ccccc1 2268678700 JWIDQJMIBXDBNL-UHFFFAOYSA-N 452.360 2.469 50 10 JEGE O=C(N[C@H]1CS(=O)(=O)C[C@@H]1Cl)c1cc(I)ccc1Br 236035913 NZSOXJZCXJFBIS-UWVGGRQHSA-N 478.533 2.188 50 10 JEGE COc1cc(C=NNC(=O)CN2CCN(Cc3ccccc3)CC2)cc(Br)c1O 253483602 PQVFPMAXHDKONM-UHFFFAOYSA-N 461.360 2.431 50 10 JEGE CN1CCN(CN2C(=O)C(=NNC(=O)c3ccccc3Br)c3ccccc32)CC1 254876023 NXJUXKJOFJEDGP-UHFFFAOYSA-N 456.344 2.135 50 10 JEGE CC(C)[C@@H](CI)NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 703989345 HWWBXIKECSLKCY-CQSZACIVSA-N 464.325 2.052 50 10 JEGE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccccc1B(O)O 2248898368 AQZCYMMGDKUPRB-UHFFFAOYSA-N 458.323 2.300 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1C[C@@H]2C[C@H]1C[C@@H]2Br 2310032897 FJBWOTULWAKVOL-CCISYGEFSA-N 473.364 2.492 50 10 JEGE O=C(NNC(=S)NC(=O)c1ccccc1I)c1ccc([N+](=O)[O-])cc1 12501516 HNNCBNICQQEKKD-UHFFFAOYSA-N 470.248 2.149 50 10 JEGE O=C(COc1ccc(Br)cc1)NC(=S)NNC(=O)c1ccc([N+](=O)[O-])cc1 12571972 XVQCQGHPDUOMPS-UHFFFAOYSA-N 453.274 2.072 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@@H](CBr)OC2(CCC2)C1 2109487500 XLDHMAYKJNCLRJ-OAHLLOKOSA-N 485.400 2.411 50 10 JEGE Cc1csc(CNC(=O)[C@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)c1B(O)O 2243685394 TYUBIVKPBPWEJU-HNNXBMFYSA-N 464.352 2.280 50 10 JEGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)Nc1ccc(Cl)cc1B(O)O 2256674142 XZIVBCKEIOASLC-QGZVFWFLSA-N 462.739 2.459 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCOC[C@@H]1CBr 2316822244 OYPIYESSESVFEN-HNNXBMFYSA-N 473.389 2.269 50 10 JEGE N#C/C(=C/c1c(Oc2ccccc2Cl)nc2ccccn2c1=O)C(=O)N[C@@H]1CCS(=O)(=O)C1 102847992 DUJFZRBFSKQROV-QKXCFHHRSA-N 484.921 2.350 50 10 JEGE O=C(Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1)NN=Cc1ccccc1O 1083910297 UIOUJKACQQZXEK-UHFFFAOYSA-N 471.411 2.005 50 10 JEGE CC(=O)N(C)c1ccc(NC(=O)NNC(=O)[C@@H](C)Oc2cccc(Br)c2)cn1 1672991530 LXFGRHLNZJBCID-LLVKDONJSA-N 450.293 2.447 50 10 JEGE CO[C@H]1C[C@H](Br)CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 2046665882 WLYKJJVQUYGWMV-KBPBESRZSA-N 473.389 2.123 50 10 JEGE O=C(N[C@@H]1C(F)(F)C12CC(Nc1ncc(Br)cc1B(O)O)C2)OCc1ccccc1 2240337564 SROAWUVZWGEEJH-MNQCNDSGSA-N 482.090 2.029 50 10 JEGE Cc1csc(CN(C)C(=O)C[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)c1B(O)O 2268678910 BBFMQEBDNDVQPT-SFHVURJKSA-N 476.404 2.195 50 10 JEGE O=C(c1ccccc1I)N1C[C@@H]2OC[C@H](CBr)O[C@H]2C1 2279929798 UOLXKYGOVLRIHN-XDTLVQLUSA-N 452.086 2.295 50 10 JEGE Cc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 2296718473 KAGDBNLJVHYWND-QGZVFWFLSA-N 464.503 2.006 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H]1COC[C@H]1CBr 2316825120 QWWSZSQRUBTSJV-PBHICJAKSA-N 473.389 2.172 50 10 JEGE C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C(=O)OC)[C@H](OC(C)=O)[C@H](OC(=O)[C@](C)(O)[C@H](C)Cl)[C@@H]12 2333325336 BQXRLMULBZGQJI-FNQWPDIWSA-N 484.929 2.146 50 10 JEGE C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C(=O)OC)[C@H](OC(C)=O)[C@H](OC(=O)[C@](C)(O)[C@@H](C)Cl)[C@@H]12 2333325337 BQXRLMULBZGQJI-JZHIIOQBSA-N 484.929 2.146 50 10 JEGE CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NNC(=O)c1cn(C)c2ccccc12 10737041 GKAKXYUEFKSKLY-LJQANCHMSA-N 474.608 2.348 50 10 JEGE COCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(C)cc1 14662968 TUIPYDDQJCRJDM-UHFFFAOYSA-N 496.383 2.497 50 10 JEGE O=C(Cn1nnc2ccccc21)NNC=C1C=C(Br)C(=O)C(Br)=C1 33913054 YUIJJESZVUJISD-UHFFFAOYSA-N 453.094 2.076 50 10 JEGE CCOc1ccc(-c2c(C(=O)NN=Cc3ccc(OC)cc3OC)nnn2-c2nonc2N)cc1 254464089 XVRIRFUMDVUFEF-UHFFFAOYSA-N 478.469 2.079 50 10 JEGE CC(=O)N(Cc1ccc(NC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1)C(C)C 1623084404 UEXKEPGPFJKQOI-UHFFFAOYSA-N 453.547 2.303 50 10 JEGE Cc1sc2ncn(CC(=O)NNC(=O)c3ccccc3I)c(=O)c2c1C 1865851414 BEJJYPLPJOYBCB-UHFFFAOYSA-N 482.303 2.141 50 10 JEGE COC(=O)c1cc(B(O)O)cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c1 1887511623 KJBCZCDLZLCKNJ-UHFFFAOYSA-N 486.333 2.224 50 10 JEGE O=C(NCCS(=O)(=O)CCCl)c1ccc(Br)cc1I 2335750737 ROFIELVAQGXQOH-UHFFFAOYSA-N 480.549 2.437 50 10 JEGE CC[C@H](C)[C@H](CI)NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O 1900341274 KBYUEENFSLEROY-FZMZJTMJSA-N 464.325 2.052 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Br)C(F)(F)C1 2000543675 XXUQGUWMZZNRNL-SWLSCSKDSA-N 469.279 2.055 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1CC[C@H]2C[C@@]21CBr 2068384629 PVLBSQBLGGTACA-PQDLGVTNSA-N 473.364 2.494 50 10 JEGE CC(C)(C)OC(=O)NC[C@@H]1COC(C)(C)CN1S(=O)(=O)N1CCC(Br)CC1 2194653681 MGJBWNPWALTKOF-CQSZACIVSA-N 470.430 2.095 50 10 JEGE O=C(NOCCCNC(=O)c1cc(B(O)O)cs1)OCC1c2ccccc2-c2ccccc21 2243377723 FZUMXFYWIICZAF-UHFFFAOYSA-N 466.324 2.018 50 10 JEGE CN1CCN(C(=O)c2c(Br)c(Br)nn2C)C[C@@H]1CBr 2338859631 HGYHZKUNBPNHPD-ZETCQYMHSA-N 458.980 2.096 50 10 JEGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(S(=O)(=O)O)o2)cc1OC 33745578 JZZOHDRLBXHYEH-DFQSPPPFSA-N 499.501 2.465 50 10 JEGE Cc1ccc(S(=O)(=O)NNc2ncnc(NNC(=O)c3ccc(Cl)cc3)c2[N+](=O)[O-])cc1 40657809 ZZAXAWHQOOEERW-UHFFFAOYSA-N 477.890 2.409 50 10 JEGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccncc2)cc1 1084313442 RZNLMSRMFPZMLD-UHFFFAOYSA-N 452.536 2.474 50 10 JEGE C#C[C@@H](NC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12)c1ccc(Br)cc1 1478897272 WYWMLXNUSHPUFD-MRXNPFEDSA-N 454.284 2.015 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H](CBr)C1CC1 2000541556 IQRYGXSRAHIEGB-ACJLOTCBSA-N 461.353 2.351 50 10 JEGE CC(C)(C)OC(=O)N1CC2(CC(CNS(=O)(=O)N3CCC(Br)CC3)C2)C1 2121062920 WGLFCHVBCIYTNL-UHFFFAOYSA-N 452.415 2.327 50 10 JEGE O=C(NOCCCNC(=O)c1cc(B(O)O)cn1C1CC1)OCC1c2ccccc2-c2ccccc21 2267361691 GNSPDLRAYJKIOB-UHFFFAOYSA-N 489.337 2.093 50 10 JEGE COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)NNC(=O)c1cc(OC)cc(OC)c1 2313682855 MCVUWAUCXRCRMG-UHFFFAOYSA-N 470.457 2.317 50 10 JEGE COc1ccc(C(=O)NC(=S)NNC(=O)COc2cccc(C)c2)cc1I 12502969 RXUIKLPUEXAYTP-UHFFFAOYSA-N 499.330 2.323 50 10 JEGE NC(=O)Cn1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(-c2ccccc2)n1 20530176 RRQOFQACLLHSKS-LQKURTRISA-N 453.502 2.422 50 10 JEGE CC(C)C(=O)NNC(=O)[C@@H](C)Sc1nnc(Cn2nnc3ccccc32)n1-c1ccccc1 59878247 IZJOMNYHKHKACD-OAHLLOKOSA-N 464.555 2.344 50 10 JEGE N#C/C(=C/NCCN1CCOCC1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216494544 XZYRKWJLTDZPEM-LVWGJNHUSA-N 459.594 2.249 50 10 JEGE C#CCNS(=O)(=O)N1CCN(C(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)CC1 1471450466 AHGAIGMUCYCUDM-LTGZKZEYSA-N 457.600 2.129 50 10 JEGE CC(C)(C)OC(=O)N1CC2(CC=CCN2S(=O)(=O)N2CCC(Br)CC2)C1 2106777103 PINVEASUPRSOFO-UHFFFAOYSA-N 450.399 2.342 50 10 JEGE CCOc1c(I)cc(C=C(C#N)c2nn(CCO)c(N)c2C#N)cc1OC 2296737767 MLDSNQFWJQNKBZ-UHFFFAOYSA-N 479.278 2.405 50 10 JEGE CC(C)(C)OC(=O)N1CCN([C@H]2CCN(CCOCCI)C2)CC1 2306797394 VFWGVFPBVFSHRW-HNNXBMFYSA-N 453.365 2.065 50 10 JEGE CN(C)CCN(CCBr)C(=O)c1c(Br)c(Br)nn1C 2338861493 QROXQBNEYKPKDX-UHFFFAOYSA-N 460.996 2.344 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCN(CCCCl)CC1 2364194296 DTIAWPDZQZGXGB-UHFFFAOYSA-N 456.008 2.419 50 10 JEGE CC(C)(C)OC(=O)N1CCC(N/C=C(/C#N)C(=O)Nc2ccc(S(=O)(=O)O)cc2)CC1 216951690 XLXPIJVHQUUPHG-YPKPFQOOSA-N 450.517 2.268 50 10 JEGE C=CCNC(=O)NNC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 915882349 LQSQNSNUMNWOHA-UHFFFAOYSA-N 453.318 2.380 50 10 JEGE CC(=O)N[C@](C)(C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(S(C)(=O)=O)cc1 1540307139 XTWNZXWRRIRZOH-QHCPKHFHSA-N 459.568 2.200 50 10 JEGE O=C(/C=C/c1ccc([N+](=O)[O-])s1)NNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 1860771412 VOGHUGOLYZEJKG-FNORWQNLSA-N 459.509 2.167 50 10 JEGE CCOc1cc(/C=N/NC(=O)Cn2c(O)nc3ccccc3c2=O)cc(Br)c1O 1873792777 QLRNWWDEJADZOM-ZVBGSRNCSA-N 461.272 2.119 50 10 JEGE CO[C@@H]1C[C@H](Br)CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2046663184 FQPFVSXLJNRRAD-LSDHHAIUSA-N 473.389 2.267 50 10 JEGE CC[C@H](C)[C@H](CI)NS(=O)(=O)c1c(Br)cnn1C 2081240276 GAFABMWAVFQFBH-CBAPKCEASA-N 450.140 2.311 50 10 JEGE COCC[C@@]1(NS(=O)(=O)N2CCC(Br)CC2)CCN(C(=O)OC(C)(C)C)C1 2162600259 HUNHNIPOLXMRFZ-KRWDZBQOSA-N 470.430 2.096 50 10 JEGE CC(C)(C)OC(=O)N1CC2(C1)CS(=O)(=O)CCN2CCCCCI 2214708818 MXAQBIFNIRFSMZ-UHFFFAOYSA-N 472.389 2.312 50 10 JEGE C[C@@H](c1cscc1B(O)O)N(C)C(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21 2243685132 NQZRGPIHZADANO-HNNXBMFYSA-N 464.352 2.486 50 10 JEGE CCN1CCN(c2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)NCc2ccccc2)CC1 2296546151 PWAVUXJCNOZCFF-UHFFFAOYSA-N 456.550 2.368 50 10 JEGE CN(Cc1c(Br)c(Br)nn1C)S(=O)(=O)CCBr 2301157262 MRQSISPSLMLCFM-UHFFFAOYSA-N 453.982 2.102 50 10 JEGE N#CC(=CN1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)NCCN1CCOCC1 2325489435 ABRNFVBXOQSZIQ-UHFFFAOYSA-N 459.594 2.249 50 10 JEGE CC(=O)N1CCN(/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1 216490081 QWVACQCVJGLKAC-DAFNUICNSA-N 457.578 2.492 50 10 JEGE C=CCOc1ccc(C=NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 915915114 OMVCZTCCEVIHDY-UHFFFAOYSA-N 457.552 2.355 50 10 JEGE CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)[C@@H]3C[C@H]4CC[C@H]3O4)cc2)cc1 1557382023 RONVWSSKFXIRKC-MISYRCLQSA-N 457.508 2.019 50 10 JEGE COC(=O)[C@@H](Br)Cn1c(C)nc(I)c1I 1928099208 UOSCVPWMHZOVIX-YFKPBYRVSA-N 498.884 2.337 50 10 JEGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ncc(B(O)O)s1 2243685479 VPXQWLPCVGNTOI-FQEVSTJZSA-N 465.340 2.325 50 10 JEGE O=S1(=O)C[C@H](NS(=O)(=O)c2c(Cl)cc(Br)cc2Cl)[C@@H](Cl)C1 157772276 NVHFPEVUGXXNSM-IUCAKERBSA-N 457.582 2.439 50 10 JEGE O=C(NNC(=O)[C@@H](Oc1ccc(F)c(Cl)c1)c1ccccc1)N[C@@H]1CCS(=O)(=O)C1 730534836 PHKVEJCHEJNOKV-DYVFJYSZSA-N 455.895 2.117 50 10 JEGE CC(=O)N[C@@H](C(=O)NNC(=O)c1cnn(-c2ccccc2)c1)c1cccc(Br)c1 1126093111 OFLZQUXYRFFAGP-GOSISDBHSA-N 456.300 2.273 50 10 JEGE C[C@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)COc4ccc(Cl)cc4)c(=O)c23)C1 1860770008 PGQVAEGIKBPEST-LBPRGKRZSA-N 460.943 2.463 50 10 JEGE CCN(CCOCCBr)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2046030001 VHWFQKFLPKMDOR-SFHVURJKSA-N 479.368 2.074 50 10 JEGE O=S(=O)(CCC(F)(F)CBr)N1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2123363568 UXMMPTCPEPFCIH-HZPDHXFCSA-N 453.349 2.322 50 10 JEGE C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Cl)ccc1B(O)O 2256621922 AKIGAANNJXUKHP-KUHUBIRLSA-N 462.739 2.457 50 10 JEGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ncc(B(O)O)c(C)n1 2268639679 QWNUPCBHNVEZKB-WNSKOXEYSA-N 488.353 2.357 50 10 JEGE O=C(CCC(=O)Nc1ccccc1Cl)NNC(=S)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 12502281 KHEYFAYAMVMTJI-UHFFFAOYSA-N 494.873 2.211 50 10 JEGE CC(C)Oc1ccccc1C(=O)NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 13623563 GAKFBHFPWFVTKY-QGZVFWFLSA-N 454.552 2.158 50 10 JEGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)c2cccs2)cc1Br 14662108 ZHWYJXJBRVLPTK-UHFFFAOYSA-N 458.359 2.485 50 10 JEGE CCOc1cc(C=NNC(=O)C(=O)NC2CCCCC2)cc(I)c1O 1083909641 DYWCFCATIVQYRD-UHFFFAOYSA-N 459.284 2.295 50 10 JEGE COc1ccc(N(CC(=O)NN=Cc2ccccn2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 1084093654 WMUJPGOPUSXKMS-UHFFFAOYSA-N 499.505 2.353 50 10 JEGE COCCn1cc(C=NNC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)cn1 1084516500 RLVUQYOQIYZFKZ-UHFFFAOYSA-N 462.539 2.415 50 10 JEGE CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NNc2ccc(F)c([N+](=O)[O-])c2)cc1 1183251866 ZKFLHLSBEIMZIS-UHFFFAOYSA-N 452.464 2.481 50 10 JEGE C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NNC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 1293349588 CPQZQOMYIWGRGP-OAHLLOKOSA-N 457.531 2.232 50 10 JEGE Cc1c(C(=O)NNC(=O)c2ccco2)oc2c1C(=NNS(=O)(=O)c1ccccc1)CCC2 1772749737 YNEMDFATRFPDHJ-UHFFFAOYSA-N 456.480 2.275 50 10 JEGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ncccc1B(O)O 2009713553 BTCCFDJTBJGJBQ-QFIPXVFZSA-N 459.311 2.263 50 10 JEGE O=C(NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1)c1cc(B(O)O)ccc1Cl 2134986283 JQNFBYPOIWOUSO-UHFFFAOYSA-N 464.758 2.221 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC(CCCBr)C1 2216742388 KYXXXHHHSUHZKL-SFHVURJKSA-N 461.353 2.448 50 10 JEGE CN(C[C@]1(Oc2cc(B(O)O)c(F)cn2)CCCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C 2370029689 PACPKXUHRXWXQE-XMMPIXPASA-N 473.354 2.181 50 10 JEGE O=C(CSc1n[nH]c(N/N=C/c2cc(Cl)ccc2O)n1)NNC(=O)c1ccc(F)cc1 20923551 QVLSHHNWEMTUGP-ODCIPOBUSA-N 463.882 2.302 50 10 JEGE Cc1cc(C)n(CC(=O)NNC(=O)c2cc(Br)ccc2I)n1 22440320 PQUOSZAWBZBRHB-UHFFFAOYSA-N 477.100 2.328 50 10 JEGE C/C(=N/NC(=O)[C@H]1COc2ccccc2O1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 59541475 BSWUEGMXZDIWHN-RRFFURKPSA-N 455.492 2.438 50 10 JEGE COc1ccc(Br)cc1/C=N/Nc1nc(S[C@H](C)C(=O)NNC(=O)C(C)C)n[nH]1 59880767 MCBCRKBEHAUUCL-OQOREVAYSA-N 484.380 2.306 50 10 JEGE C[C@@H](Oc1c(I)cc(Cl)cc1I)C(=O)NN 380498938 CQGGPJYHMKCWNH-SCSAIBSYSA-N 466.444 2.306 50 10 JEGE O=C(c1ccc(I)c(O)c1)N1CCN2C[C@@H](Br)C[C@H]2C1 405290622 ZUIVVWOWUXWYGY-QWRGUYRKSA-N 451.102 2.290 50 10 JEGE COc1ccc(C(C)=NNC(=O)CSc2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2N)cc1 1084385063 NRONJXABVWKBMK-UHFFFAOYSA-N 486.470 2.116 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CBr)CC1CC1 2000541270 IAKQJBSRDKHJAL-ACJLOTCBSA-N 461.353 2.494 50 10 JEGE COC[C@](C)(CBr)N(C)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2046024755 CXAUAILJQDZEDM-MSOLQXFVSA-N 479.368 2.072 50 10 JEGE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(S(=O)(=O)N3CCC(Br)CC3)C[C@@H]21 2106771648 JVDVCFRTEQAMIY-VHDGCEQUSA-N 452.415 2.326 50 10 JEGE C[C@@H](Br)CN1CCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)CC1 2113860701 GPKCJLMBVXANSR-OAHLLOKOSA-N 486.432 2.040 50 10 JEGE O=C(c1cc(I)ccc1O)N1C[C@H]2COC[C@@H](C1)[C@H]2Br 2189067904 OSEMXWXWKVBNIR-YFKFIEJBSA-N 452.086 2.479 50 10 JEGE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ccc(CBr)cc2)[C@H](S(C)(=O)=O)C1 2192675439 DMNMHOSVNDMFPW-LSDHHAIUSA-N 461.378 2.344 50 10 JEGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)c1cccc(B(O)O)c1 2248396510 ACRDEPWLYJMDSS-SJORKVTESA-N 458.323 2.471 50 10 JEGE COc1ccc(CNC(=O)C(C#N)=CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 2324847381 FFKZSOXTUAJZTQ-UHFFFAOYSA-N 454.552 2.034 50 10 JEGE Cn1nc(Br)c(Br)c1C(=O)N[C@@H]1CCOC[C@H]1CBr 2338860590 KAKPEYRVNJPKDB-RNFRBKRXSA-N 459.964 2.475 50 10 JEGE COc1ccc(OCC(=O)NC(=S)NNC(=O)c2ccc(C)c(Br)c2)cc1 13978847 ZUDKWABRUPMETQ-UHFFFAOYSA-N 452.330 2.481 50 10 JEGE COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccccc3Br)n2N)ccc1O 58987525 HFMZOFTYLZTSLP-ZVBGSRNCSA-N 477.344 2.378 50 10 JEGE COCCCNC(=O)/C(C#N)=C1/N=C(NC(=O)c2cc(OC)c(OC)c(OC)c2)c2ccccc21 102673621 MRFCRFJQCFAVSY-DYTRJAOYSA-N 478.505 2.290 50 10 JEGE O=C(Cc1ccccc1)NCC(=O)NN=C1C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21 254623990 MZVWWDCUHCPIPX-UHFFFAOYSA-N 470.485 2.141 50 10 JEGE CCOC(=O)C1=NO[C@@H](Cc2c(C=NNC(=O)c3ccccc3)c3c(c(OC)c2OC)OCO3)C1 254759425 MTUVENXLFLHFIZ-HNNXBMFYSA-N 483.477 2.447 50 10 JEGE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(S(=O)(=O)NNC(=O)CCOc3ccccc3)cc2)C1 728262617 HSASOLXTZMXZLK-QZTJIDSGSA-N 495.623 2.132 50 10 JEGE CC(=NNC(=O)[C@@H]1Cc2ccccc2O1)c1ccc(S(=O)(=O)N(C)CCCC(=O)O)cc1 748149183 UOAZQLZLWCPEHO-FQEVSTJZSA-N 459.524 2.016 50 10 JEGE CC[C@@H](C)NC(=O)CN1CCN(C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)CC1 920447334 GMFDHSGNPCLIHO-JFLDFIPSSA-N 473.581 2.430 50 10 JEGE Cc1ccc(C=NNC(=O)c2nonc2C(=O)NN=Cc2ccc(C)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 1084558041 MIOCCQRVRRLSPZ-UHFFFAOYSA-N 480.397 2.031 50 10 JEGE C#CCNS(=O)(=O)c1cccc(C(=O)NNc2ccc([N+](=O)[O-])cc2Br)c1 1633600456 XJTXEYHREKSGHW-UHFFFAOYSA-N 453.274 2.026 50 10 JEGE COc1ccccc1OCC(=O)NNC(=O)[C@@H](C)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860772487 ZXWPDRGPJUGZTR-ZIAGYGMSSA-N 470.551 2.379 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCCCCI 1960072572 MEKJZJNWZTZROD-INIZCTEOSA-N 482.315 2.145 50 10 JEGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 1993237317 VJKHLLRKVJDLRH-UONOGXRCSA-N 465.638 2.379 50 10 JEGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1C[C@@]2(CBr)CCC[C@]2(F)C1 2007700700 LHIFNONEHFNFRJ-ROUUACIJSA-N 459.337 2.202 50 10 JEGE CC(C)(C)OC(=O)N1CCC[C@@H](c2nc(NS(=O)(=O)CI)n[nH]2)C1 2012992159 TXBPXGJOVZDIMR-SECBINFHSA-N 471.321 2.053 50 10 JEGE O=C(N[C@H]1COCC[C@H]1NS(=O)(=O)CCC(CCl)CCl)OCc1ccccc1 2044259146 YPOIBIPPYQJOBK-SJORKVTESA-N 453.388 2.474 50 10 JEGE C[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CN1S(=O)(=O)N1CCC(Br)CC1 2106774928 ZSZTYUBHVYDOII-VNHYZAJKSA-N 452.415 2.278 50 10 JEGE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)S(=O)(=O)c1c(Cl)cccc1B(O)O 2255757837 BHQDQIPLAUBTGZ-UHFFFAOYSA-N 482.795 2.126 50 10 JEGE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(B(O)O)c1 2255883796 MTIZOAXPEYAXJO-UHFFFAOYSA-N 482.795 2.126 50 10 JEGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ncc(B(O)O)cc1F 2256604567 DUTMJVXZNVZJKF-JOCHJYFZSA-N 477.301 2.402 50 10 JEGE N#CC(=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)NCc1ccco1 2325494654 JBMWKPBJJLQGAC-UHFFFAOYSA-N 450.904 2.090 50 10 JEGE O=C(N[C@@H](C(=O)N/N=C/c1ccccc1[N+](=O)[O-])c1n[nH]c(=O)c2ccccc12)c1ccccc1 27519336 PTMZZUSQJGFKLF-PFRKPPGBSA-N 470.445 2.453 50 10 JEGE C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)CBr 208796417 QGKGJSJIMAFPCP-HIFRSBDPSA-N 471.348 2.482 50 10 JEGE COC(=O)[C@H](I)CNS(=O)(=O)c1ccc(Cl)c(F)c1Cl 300171996 DFPZRQFZMWBIJL-ZCFIWIBFSA-N 456.060 2.387 50 10 JEGE C[C@H](NC(=O)COc1ccc(C=NNC(=O)CC(=O)NCc2cccnc2)cc1)c1ccccc1 1084039316 HUXGHPOEQFRKII-IBGZPJMESA-N 473.533 2.494 50 10 JEGE O=C(COc1ccccc1[N+](=O)[O-])NN=Cc1cc(Br)c(N2CCOCC2)o1 1084114668 JXXDJGTZCQCEBH-UHFFFAOYSA-N 453.249 2.316 50 10 JEGE CC(=O)[C@H]1CC(C(=O)NNC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)=NN1c1ccccc1 1449364638 WCUAFROXHHDYRU-VQIMIIECSA-N 457.531 2.005 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@@H]2CC[C@@H](CBr)O[C@H]2C1 2273534280 OQWOCEJYQVMOHN-MPGHIAIKSA-N 485.400 2.267 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC2(CC[C@H](CBr)O2)C1 2336734866 FDJIKDIKDYXCAZ-CQSZACIVSA-N 485.400 2.267 50 10 JEGE COc1cccc(/C=N/NC(=O)[C@H]2CCCN(C(=S)NN[C@@H]3C[C@@H]4C=C[C@@H]3C4)CC2)c1O 215724400 KMHGIAGHSMGURL-SFPNUIAUSA-N 457.600 2.297 50 10 JEGE Nc1nonc1-n1nnc(C(=O)NN=Cc2ccc(Cl)cc2)c1-c1cccc([N+](=O)[O-])c1 252622465 NVWWLMTVXBHXQN-UHFFFAOYSA-N 453.806 2.225 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC[C@@H](Br)C1CC1 2000545931 WEOINFLKHPGZJH-QAPCUYQASA-N 461.353 2.494 50 10 JEGE CC(C)(C)OC(=O)NCCC1(Oc2ncccc2B(O)O)CCN(Cc2ccccc2)CC1 2231646222 NFVVWUSBSJSUKQ-UHFFFAOYSA-N 455.364 2.090 50 10 JEGE Cc1cccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)c1C 2297318641 PMNMWACODNNHRI-GOSISDBHSA-N 478.530 2.314 50 10 JEGE Cc1csc(CNC(=O)C2(NC(=O)OCC3c4ccccc4-c4ccccc43)CC2)c1B(O)O 2302691773 UGUPAHDKYHFJLT-UHFFFAOYSA-N 476.363 2.424 50 10 JEGE Cn1nc(Br)c(Br)c1C(=O)N1CCN2C[C@@H](Br)C[C@@H]2C1 2364230023 HCFIJKDHVJBVNA-JGVFFNPUSA-N 470.991 2.239 50 10 JEGE COc1ccc(/C=N/NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(O)c(OC)c2)c(OC)c1 35166978 HTFAKTICUWWEFQ-JGHSGIRGSA-N 456.524 2.361 50 10 JEGE COc1ccc(/C(C)=N/NC(=O)CCCSc2nnc(-c3ccncc3)n2N)cc1OC 58989786 YQZNAVLRDWMDAF-ZVHZXABRSA-N 455.544 2.484 50 10 JEGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(N)=O)CCC2 101617286 IGWKBNAVIMSIAI-FSJBWODESA-N 468.297 2.444 50 10 JEGE C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CC(=O)OC(C)(C)C)C(=O)CBr 208796452 QGKGJSJIMAFPCP-DZGCQCFKSA-N 471.348 2.482 50 10 JEGE N#CCCn1cc(/C=C(/C#N)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)c(-c2ccccc2)n1 914750778 DBPWKQXKWWXSSA-XLNRJJMWSA-N 471.565 2.137 50 10 JEGE COc1cc(C=NNC(=O)CCCSc2nnc(-c3ccccc3O)n2N)c([N+](=O)[O-])cc1O 1084624784 UAEJTTZNHBWAPP-UHFFFAOYSA-N 487.498 2.010 50 10 JEGE CC(=O)N(Cc1ccc(NC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1)C1CC1 1310328173 UDISINSKUWIIEY-UHFFFAOYSA-N 451.531 2.057 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC=CC[C@H]1CBr 2007530194 YZINODNZRWBBDL-SCLBCKFNSA-N 459.337 2.366 50 10 JEGE CC(C)(C)OC(=O)NCCC1(Oc2nccc(B(O)O)c2F)CCN(Cc2ccccc2)CC1 2240329279 SJKHTVACIQVKEJ-UHFFFAOYSA-N 473.354 2.229 50 10 JEGE O=C(NOCCCNC(=O)c1cccc(F)c1B(O)O)OCC1c2ccccc2-c2ccccc21 2255498782 WFORMIDVVJZBKV-UHFFFAOYSA-N 478.285 2.096 50 10 JEGE C[C@H](NC(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)c1cscc1B(O)O 2256671852 YUJLTGAHTKAGLI-DOTOQJQBSA-N 462.377 2.105 50 10 JEGE CNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 2296848612 LEZOJSMLWKSRCX-UHFFFAOYSA-N 477.546 2.213 50 10 JEGE CSCC[C@H](C(=O)NNC(=O)c1cn(C)c2ccccc12)N1C(=O)c2ccccc2C1=O 10736622 NZULODKAMPWMDZ-LJQANCHMSA-N 450.520 2.357 50 10 JEGE Nn1c(SCCCC(=O)NN=Cc2cccc([N+](=O)[O-])c2)nnc1-c1cccc([N+](=O)[O-])c1 1084244817 LEHGEBJFHNUTRY-UHFFFAOYSA-N 470.471 2.498 50 10 JEGE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNc3ccc(Cl)c(F)c3)cc2)CC1 1151503395 SMAFMZKKVRXXIY-UHFFFAOYSA-N 454.911 2.089 50 10 JEGE C=CC(=O)N1CCC(C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)(c2ccccc2)CC1 1637755568 GFQOMVNQMVLLNB-UHFFFAOYSA-N 458.559 2.185 50 10 JEGE C[C@@H]1CN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)CC[C@@H]1Br 2000541257 HWMCDWMZUWSFMH-MRAWALMUSA-N 461.353 2.446 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CCl)CC1CCOCC1 2195502123 NCAMJVWTMCQYJK-MGPUTAFESA-N 460.955 2.354 50 10 JEGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(B(O)O)cc1F 2248967566 ZXQTZCXJDBYWSE-OAHLLOKOSA-N 462.286 2.049 50 10 JEGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)Nc1cc(B(O)O)ccc1Cl 2256679224 UWEMYZPMMVWWNC-QGZVFWFLSA-N 462.739 2.459 50 10 JEGE O=C(CCCNC(=O)c1cccc([N+](=O)[O-])c1)N/N=C1\C(=O)Nc2ccc(Br)cc21 38249346 AURNACRFOFHBGQ-UHFFFAOYSA-N 474.271 2.340 50 10 JEGE C[C@H](Sc1n[nH]c(=O)[nH]c1=O)C(=O)N/N=C/c1ccc(OCCCc2ccccc2)cc1 169890748 POKWJVFAAJGRHT-FVQJWRHTSA-N 453.524 2.101 50 10 JEGE CN(CC1(CBr)CC1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000540440 OZRIBXBFSZSLTB-QGZVFWFLSA-N 461.353 2.448 50 10 JEGE C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(B(O)O)c(F)c1F 2268635216 ORETWJIXNJKQPN-YJYMSZOUSA-N 464.274 2.082 50 10 JEGE C[C@@H](NC(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)c1cccc(B(O)O)c1 2268719057 XWJPZWLBZFGXBW-DYESRHJHSA-N 456.348 2.044 50 10 JEGE COc1ccccc1C=CC(=O)NCC(=O)NN=C1C(=O)Nc2ccc(Br)cc21 2296382119 FYFJUFBHNKCUAE-UHFFFAOYSA-N 457.284 2.060 50 10 JEGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@@H]2COC[C@]2(CBr)C1 2364015221 NMSIWOVMHFGBOE-KRTXAFLBSA-N 471.975 2.429 50 10 JEGE COC(=O)NNC(=S)NC(=O)COc1c(C)cc(Br)cc1Br 12572746 PGTNIRYYRQRTNT-UHFFFAOYSA-N 455.128 2.161 50 10 JEGE Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)CC1 17518519 XCUCQXVSKIJVIY-UHFFFAOYSA-N 462.572 2.451 50 10 JEGE COc1ccc(/C=N/NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(C(=O)O)cc2)c(OC)c1 39371238 NBJVUPCGSVKUEM-XLHYMUBZSA-N 454.508 2.345 50 10 JEGE Nc1c(NNC(=O)Cc2ccccc2)ncnc1NNC(=O)c1ccc(Br)cc1 40784519 ZCCFJVRRCBSKGT-UHFFFAOYSA-N 456.304 2.264 50 10 JEGE Cc1cc(Br)c(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2Cl)cc1Br 157779754 SWHFFUSESCTAEM-VHSXEESVSA-N 481.615 2.203 50 10 JEGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\N(C)[C@@H]1CCS(=O)(=O)C1 217254101 GUFHSUWAWPICOH-FWLQQBITSA-N 459.309 2.065 50 10 JEGE O=C(NN=C1[C@H]2OC[C@@H](O2)[C@H]2[C@H]1[C@H]2C(=O)c1cccs1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 252623781 OZCNKKYIDMVWOO-ULOFRMCKSA-N 458.408 2.151 50 10 JEGE Cc1ccsc1C=NNC(=O)c1nnn(-c2nonc2N)c1CN1CCCc2ccccc21 254386626 LGQLMHLPGHULAQ-UHFFFAOYSA-N 463.527 2.319 50 10 JEGE CCOC(=O)C1=NO[C@H](Cc2c(C=NNC(=O)c3ccccc3O)c3c(c(OC)c2OC)OCO3)C1 254630167 QQRQTYDKAJRIHH-CYBMUJFWSA-N 499.476 2.153 50 10 JEGE C[C@@H](NC(=O)COc1ccc(C=NNC(=O)C(=O)NCc2ccncc2)cc1)c1ccccc1 725412519 OLXPNIUWTFHTGR-GOSISDBHSA-N 459.506 2.104 50 10 JEGE CCC(=NNC(=O)CSc1nnc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1N)c1ccccc1 1084251866 JXZVJQVJNAXPGA-UHFFFAOYSA-N 470.471 2.498 50 10 JEGE C#C[C@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc(F)cc1 1636548880 YSQFQADLGLVHQD-FQEVSTJZSA-N 458.515 2.319 50 10 JEGE COc1cc(C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc(OC)c1OC 1860772059 PPHTUWVGFUFUTR-LBPRGKRZSA-N 486.550 2.385 50 10 JEGE CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](OC[C@H]2C[C@@H](S(C)(=O)=O)C2)C1 1905176396 OZDLDCKYPWREIP-RNJOBUHISA-N 459.346 2.249 50 10 JEGE CC(C)(CC(=O)NCCOCCC(=O)ON1C(=O)CCC1=O)SSc1ccccn1 2060423732 LRPZRWMOSBMUPL-UHFFFAOYSA-N 455.558 2.121 50 10 JEGE C[C@H](Br)CN1CCN(C(=O)c2c(Br)c(Br)nn2C)CC1 2364023415 AOLGDOZBPHXTEP-QMMMGPOBSA-N 473.007 2.486 50 10 JEGE COc1ccc(/C=N/NC(=O)CCCSc2nnc(-c3ccccc3O)n2N)c(OC)c1 58990035 UKNMWGMDXSDJHT-YDZHTSKRSA-N 456.528 2.404 50 10 JEGE Cc1ccc(N2C(=O)[C@@H](/C=C(/C#N)C(=O)N3CCN(c4ccccc4)CC3)C(=O)NC2=S)cc1C 1084106262 GLIOBZASSIRXKC-ZHFOUCBBSA-N 487.585 2.466 50 10 JEGE CC(=O)c1ccc(S(=O)(=O)CC(=O)NNC(=O)[C@H](C)Oc2cccc(C)c2C)cc1F 1463593272 BCIFAOMNODLCEJ-HNNXBMFYSA-N 450.488 2.034 50 10 JEGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NNC(=O)Cc4ccccc4[N+](=O)[O-])c(=O)c23)C1 1860771119 KJFYUPDLIQHART-STQMWFEESA-N 469.523 2.442 50 10 JEGE COc1ccccc1-c1ccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c(C)n1 1865760068 FDMFBMCIWLZNTB-UHFFFAOYSA-N 468.535 2.391 50 10 JEGE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NS(=O)(=O)CCOCCCl 2025358285 LOKDIMQYIONJQU-UHFFFAOYSA-N 488.047 2.359 50 10 JEGE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H](Br)C2CCCC2)[C@@H]2CS(=O)(=O)C[C@H]21 2167034514 XCVXDBJRAMULEM-RBSFLKMASA-N 465.410 2.185 50 10 JEGE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1cccc(B(O)O)c1 2248900593 SRECWCFGGIMXHR-UHFFFAOYSA-N 458.323 2.300 50 10 JEGE O=C(NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1)c1ccc(Cl)c(B(O)O)c1 2267361602 FKIMZSOULYRZEY-UHFFFAOYSA-N 464.758 2.221 50 10 JEGE COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccccc1[N+](=O)[O-] 9696095 JPZZSZSMXLPAMF-UHFFFAOYSA-N 453.274 2.315 50 10 JEGE COc1ccc(OCc2ccc(/C=N/Nc3nc(SCC(=O)NNC(=O)C4CCC4)n[nH]3)o2)cc1 59880198 VEZZUFDNYUYFOP-FOKLQQMPSA-N 499.553 2.471 50 10 JEGE COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)NN=Cc2cccs2)c(OC)c1 254624648 LVQYDVPORBIVOM-IBGZPJMESA-N 458.496 2.087 50 10 JEGE COc1ccccc1Nc1nc2sc(C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)cc2s1 728204218 YTZKPDNXLVQAQC-JTQLQIEISA-N 466.566 2.306 50 10 JEGE C#CCCCC(=O)NNC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 1635718850 SDUWXLQWCYDTCT-UHFFFAOYSA-N 457.508 2.213 50 10 JEGE O=C(NS(=O)(=O)c1ccc(CCNC(=O)C2CC2)cc1)Oc1ccc([N+](=O)[O-])cc1F 1859003447 MDBQCFJIZQFAEC-UHFFFAOYSA-N 451.432 2.280 50 10 JEGE O=[N+]([O-])c1cc(I)ccc1NS(=O)(=O)CI 1983330907 IBNULQVOYIBNGC-UHFFFAOYSA-N 468.010 2.334 50 10 JEGE Cn1cc(S(=O)(=O)N(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)c(CCl)n1 2059432748 KIDKDFBCUBPXND-UHFFFAOYSA-N 496.030 2.199 50 10 JEGE C[C@H](c1cc(B(O)O)cs1)N(C)C(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2284060575 PCAHYEOXBXNSEC-OSPHWJPCSA-N 487.431 2.117 50 10 JEGE CN(Cc1csc(B(O)O)c1)C(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 2302691052 PJOABWGPDMRBRE-UHFFFAOYSA-N 476.363 2.458 50 10 JEGE COC(=O)CC1=NN(c2ccccc2)C(=O)C1=C(C)NNC(=O)c1cc(OC)cc(OC)c1 2313682373 BDWYNCRJLVZRTQ-UHFFFAOYSA-N 452.467 2.178 50 10 JEGE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)Nc1cc(F)c(F)cc1B(O)O 2351774083 VSUSVUCOTIPCKV-HNNXBMFYSA-N 464.274 2.083 50 10 JEGE O=C(CSc1n[nH]c(NN=Cc2cc(Br)ccc2O)n1)NNC(=O)c1ccccc1 1084036571 BBFILIMPRJWCGY-UHFFFAOYSA-N 490.343 2.272 50 10 JEGE CC(N)=C(C#N)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Sc1nnnn1-c1ccccc1 2053508800 GKPWTDKURCDQOQ-UHFFFAOYSA-N 465.451 2.204 50 10 JEGE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@@H](NS(=O)(=O)N3CCC(Br)CC3)C[C@H]21 2137369627 RTEDKPOXSJFBPI-ZGKBOVNRSA-N 452.415 2.372 50 10 JEGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccnc(B(O)O)c1 2248419957 LBQIOSIIFUVKFS-HSZRJFAPSA-N 459.311 2.263 50 10 JEGE C[C@H](NS(=O)(=O)C=Cc1ccccc1)C(=O)NNC(=O)COc1cccc(C(F)(F)F)c1 2297380759 ABPIMWQUEJIUHC-AWEZNQCLSA-N 471.457 2.210 50 10 JEGE COc1ccc(B(O)O)c(Sc2cc(I)ccc2Br)n1 2363621861 VQKLTJHGDRRZQS-UHFFFAOYSA-N 465.903 2.288 50 10 JEGE CC(C)CCOc1cccc(C(=O)NC(=S)NNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)c1 13630276 USWVOGVNOWFOPY-QGZVFWFLSA-N 472.567 2.389 50 10 JEGE O=C(NNc1ncnc(N2CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] 40611583 JRNPNHZOSUZHFT-UHFFFAOYSA-N 478.469 2.372 50 10 JEGE CCOc1ccc(/C=C\C(=O)NC(=S)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 206827440 ZAWQBSHGQQTDQP-FLIBITNWSA-N 459.524 2.460 50 10 JEGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)NN=Cc1ccc([N+](=O)[O-])s1 263622597 UAGAALKUOMJSBR-UHFFFAOYSA-N 483.539 2.469 50 10 JEGE O=C(CCOc1ccccc1)NNS(=O)(=O)c1cc(Br)cc(C(=O)O)c1F 728506338 KLKRYYALYNCVSC-UHFFFAOYSA-N 461.265 2.065 50 10 JEGE Cc1cc(Cl)c(B(O)O)cc1NC(=O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 2268689212 ZQAWXYFWXYKTNW-UHFFFAOYSA-N 475.782 2.294 50 10 JEGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)C1=CNc1ccc(S(=O)(=O)CCO)cc1 2297465602 KQJFDSCOGBNSJD-UHFFFAOYSA-N 465.531 2.200 50 10 JEGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1sc(Cl)cc1B(O)O 2320674661 JNUMOSFKTCXGIQ-SCLBCKFNSA-N 482.795 2.196 50 10 JEGE COC(=O)c1cc(S(=O)(=O)NNC(=O)CCOc2ccccc2)c(Br)cc1F 728506668 XBLHBBSSKPUXHF-UHFFFAOYSA-N 475.292 2.153 50 10 JEGE COc1ccc(C(=O)NNC(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)c(OC)c1 730751889 JRJYQGNZMGJAJQ-MRXNPFEDSA-N 460.874 2.023 50 10 JEGE CCOc1ccc(OC)cc1C=NNC(=O)CC(=O)NN=Cc1cc(OC)ccc1OCC 1565517863 MALZOJZTEFVXJY-UHFFFAOYSA-N 456.499 2.492 50 10 JEGE Cc1c(B(O)O)cc(CN)cc1N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887551786 HBPHKYLUOYQIIE-UHFFFAOYSA-N 471.366 2.205 50 10 JEGE CC(C)(C)OC(=O)NC[C@H]1CN(S(=O)(=O)CI)C[C@@H]1C(F)(F)F 1983327926 RNAJZLYKJRJVAU-IUCAKERBSA-N 472.267 2.344 50 10 JEGE CC(C)(C)OC(=O)N[C@H]1CN(S(=O)(=O)N2CCC(Br)CC2)C[C@H]1C(F)F 2106776141 FDMRGWASVZMMOO-NEPJUHHUSA-N 462.357 2.181 50 10 JEGE CC(=O)Nc1nnc(S(=O)(=O)N[C@H](CCBr)COCc2ccccc2)s1 2343414615 QCADVHFWSYACHQ-CYBMUJFWSA-N 463.379 2.145 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(CCBr)C1CCOCC1 2353569886 XMVSDWMWPWJYHS-LJQANCHMSA-N 491.379 2.217 50 10 JEGE COc1cc(C=NNC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(=O)N1CCOCC1 254488109 QMTFOEYYVJPSLP-UHFFFAOYSA-N 473.482 2.316 50 10 JEGE COCCOCCOCCO[C@](C)(CI)CNC(=O)OC(C)(C)C 303742292 YVYIMGXUBPGTLH-MRXNPFEDSA-N 461.337 2.401 50 10 JEGE COc1cc(C=NNC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc(OC)c1OC 1084447827 ACNRIXGWUBTENO-UHFFFAOYSA-N 455.920 2.282 50 10 JEGE C/C(=C\c1ccc(Br)o1)C(=O)N1CCN(S(=O)(=O)CBr)CC1 1466475464 IXDVERWLTJVMCZ-CSKARUKUSA-N 456.156 2.272 50 10 JEGE CN(C)[S@@](=O)(=NC(=O)C1CC(Br)C1)N1CCN(C(=O)OC(C)(C)C)CC1 1887731634 QMJJASLOVAVKPL-WXYVVBEESA-N 453.403 2.099 50 10 JEGE CN([C@@H](CCBr)C(F)F)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 1984141298 YCQPPXRKRNCGAX-ZDUSSCGKSA-N 453.305 2.353 50 10 JEGE O=S(=O)(N1CCC(Br)CC1)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21 2162208615 DARAMDYFUDQOGS-RTBURBONSA-N 458.422 2.066 50 10 JEGE COC[C@@]1(NS(=O)(=O)N2CCC(Br)CC2)CCCN(C(=O)OC(C)(C)C)C1 2162602599 PDRSDUMUUIRKCW-QGZVFWFLSA-N 470.430 2.096 50 10 JEGE Cc1csc(CN(C)C(=O)CNC(=O)OCC2c3ccccc3-c3ccccc32)c1B(O)O 2243663096 FAEJIAFPFUNRGK-UHFFFAOYSA-N 464.352 2.233 50 10 JEGE CC(C)(C)OC(=O)N[C@]1(C)CN(S(=O)(=O)N2CCC(Br)CC2)CC1(F)F 2336869027 QRPXGUCSHQXNNJ-CQSZACIVSA-N 462.357 2.325 50 10 JEGE COc1ccc(Br)c(C(=O)NNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)c1 728525860 IFHVEPNAIONZCM-CQSZACIVSA-N 488.385 2.134 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC1CC(CCBr)C1 2000539801 BWUGAQRQCSEHJZ-PWGQDJSOSA-N 461.353 2.494 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1COC(C)(C)[C@H]1Br 2078732585 IKGNSDWZZGQUNF-GJZGRUSLSA-N 473.389 2.169 50 10 JEGE O=S(=O)([C@@H](CBr)C1CC1)N1CC[C@@H](N2CCN(Cc3ccccc3)CC2)C1 2179831177 UHOGFBDPWVDOIK-UXHICEINSA-N 456.450 2.382 50 10 JEGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CC[C@H](Br)C[C@@H]1C(F)(F)F 2299694976 AUBRMBNVPJHVKW-GXFFZTMASA-N 469.279 2.403 50 10 JEGE CN1CC[C@H]([C@H](Br)c2c(Br)c(Br)nn2C)S1(=O)=O 2316718613 VPPVQPPFGWSNPG-RITPCOANSA-N 465.993 2.415 50 10 JEGE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H](C1)N(S(=O)(=O)N1CCC(Br)CC1)C2 2332122868 GRZMUSLDTBEJEM-VHDGCEQUSA-N 452.415 2.468 50 10 JEGE CN(C)C[C@H]1C[C@@H](Br)CN1C(=O)c1c(Br)c(Br)nn1C 2364227903 GCHVHUQAOMDWQJ-HTQZYQBOSA-N 473.007 2.485 50 10 JEGE C/C(=N/NC(=O)[C@@H]1COc2ccccc2O1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 59541466 BSWUEGMXZDIWHN-UCHNXLLDSA-N 455.492 2.438 50 10 JEGE C#Cc1cccc(NC(=S)NNC(=O)[C@@H](CCSC)NC(=O)c2ccc([N+](=O)[O-])o2)c1 727498659 OUSTWBSJKHNKBW-CQSZACIVSA-N 461.525 2.038 50 10 JEGE COc1ccccc1C=NNC(=O)Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1 1084047126 QQPKRPJWIMGLKV-UHFFFAOYSA-N 485.438 2.308 50 10 JEGE O=C(CCCNC(=O)c1ccc([N+](=O)[O-])cc1)NN=Cc1ccc(I)o1 1772719825 ZOPCLXPSGVINFK-UHFFFAOYSA-N 470.223 2.453 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCC(COCCBr)CC1 2048508048 UIIXDIOABLNICE-UHFFFAOYSA-N 473.389 2.126 50 10 JEGE O=C(c1cc(I)ccc1O)N1C[C@@H]2[C@@H](CBr)CO[C@H]2C1 2178083562 SNXUWYNDDJHSDF-KDDOJWQBSA-N 452.086 2.479 50 10 JEGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1ccc(B(O)O)cc1 2248415424 ABZOPTFDMRJPEH-KRWDZBQOSA-N 458.323 2.252 50 10 JEGE C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(B(O)O)ccc1Cl 2256626982 QCEHDSBYOBSYCP-KUHUBIRLSA-N 462.739 2.457 50 10 JEGE NNC(=O)[C@@H]1CC[C@@H](COCc2cc(I)ccc2Br)O1 2367269207 RSKWHUNLFPOMAE-JQWIXIFHSA-N 455.090 2.108 50 10 JEGE Cc1ccc(C(=O)NC(=S)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1I 13977110 LUEHSFVUBFNXIF-UHFFFAOYSA-N 484.275 2.457 50 10 JEGE O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)N[C@@H](CSSc1ccccn1)C(=O)O 1848440488 WQIAGKBZIVWRMA-QCQGSNGOSA-N 456.615 2.117 50 10 JEGE CC(C)(C)OC(=O)N1CC(F)(F)C[C@]1(C)CNS(=O)(=O)CI 1910105965 GAHXQXTYJGWHJZ-LLVKDONJSA-N 454.277 2.333 50 10 JEGE CC(C)(C)OC(=O)NC[C@H](NS(=O)(=O)CI)C(F)(F)C(F)(F)F 1983327711 PMAXVJVXGCDZRR-LURJTMIESA-N 482.209 2.389 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@H]1C[C@H](CBr)CO1 2039820029 XWXDRNZABQHKMF-HUUCEWRRSA-N 473.389 2.172 50 10 JEGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1cc(B(O)O)ccc1F 2248398137 QIFCMRGXSPKOOW-OAHLLOKOSA-N 462.286 2.049 50 10 JEGE Cc1cc(Cl)ccc1OCC(=O)NC(=S)NNC(=O)COc1ccc([N+](=O)[O-])cc1 12503433 UDSFOCQUNQHWPA-UHFFFAOYSA-N 452.876 2.036 50 10 JEGE COCCOCCOCCO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1I 303741359 LGVJCPOFZXIZMD-KBPBESRZSA-N 459.321 2.106 50 10 JEGE O=C(NCCCN1CCCS1(=O)=O)C(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F 726313103 PUPHTBVMBNXTOL-OAHLLOKOSA-N 473.926 2.386 50 10 JEGE C[C@]1(NS(=O)(=O)CI)CCCN(C(=O)OCc2ccccc2)C1 1881750282 SCWVARVWJFNGLS-HNNXBMFYSA-N 452.314 2.490 50 10 JEGE O=S1(=O)C[C@H](Cl)[C@H](Nc2ncc(I)cc2Br)C1 2015762600 NBFMEWOFOGRJOL-JGVFFNPUSA-N 451.511 2.265 50 10 JEGE Cc1csc(CNC(=O)[C@@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)c1B(O)O 2243679166 TYUBIVKPBPWEJU-OAHLLOKOSA-N 464.352 2.280 50 10 JEGE Cc1ccc(C(=O)NNC(=O)CCC(=O)NCc2ccccc2)cc1I 12492992 OSYIFZMVYVEFBX-UHFFFAOYSA-N 465.291 2.457 50 10 JEGE COc1ccc(C(=O)Nc2nnc(CC(=O)NN=Cc3cc4c(cc3[N+](=O)[O-])OCO4)s2)cc1 1081167886 IGXXQUPNLSOGTM-UHFFFAOYSA-N 484.450 2.129 50 10 JEGE O=C(CSc1n[nH]c(NN=Cc2c[nH]c3ccccc23)n1)NNC(=O)c1ccc(F)cc1 1084024341 XVRXLCAUKUDGMB-UHFFFAOYSA-N 452.475 2.424 50 10 JEGE CC[C@H](C)[C@@H](C(=O)N1CCC[C@H](C(=O)NNc2ccccn2)C1)N1C(=O)c2ccccc2C1=O 1873777925 WSIFYQVPGRJQQC-FIKGOQFSSA-N 463.538 2.474 50 10 JEGE Cn1cc(Br)c(S(=O)(=O)NC(C)(CBr)CBr)n1 2008835399 HABKVZLCWJGCKP-UHFFFAOYSA-N 453.982 2.009 50 10 JEGE O=S(=O)(c1cnn(CCBr)c1)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 2179820630 ADGWVQRBCBQXIQ-MSOLQXFVSA-N 453.406 2.421 50 10 JEGE Cc1cc(NC(=O)[C@H]2C[C@H](Br)C2)c(I)cc1S(N)(=O)=O 2240645373 TYAZVSYKHVDOQL-ZKCHVHJHSA-N 473.130 2.359 50 10 JEGE Cc1cc(B(O)O)c(CN(C)C(=O)C[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)s1 2268629653 ZCRCCRYXVMGHFP-SFHVURJKSA-N 476.404 2.195 50 10 JEGE COc1cc(C=NNC(=O)Cn2nnnc2N)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 254611903 GXMLGQVPJNQARC-UHFFFAOYSA-N 480.363 2.134 50 10 JEGE O=C(NS(=O)(=O)c1ccc(CNC(=O)[C@H]2CCCO2)cc1)Oc1ccc([N+](=O)[O-])cc1F 1858954262 LCHWRRHKYNYIGA-QGZVFWFLSA-N 467.431 2.006 50 10 JEGE CC(C)(C)OC(=O)N[C@H]1CN(S(=O)(=O)CI)C[C@@H]1C(F)(F)F 1910106319 HXJFXOGIRIDEIY-YUMQZZPRSA-N 458.240 2.096 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@](C)(CBr)C1 2000541289 RXAGRUFKGDNTCB-MSOLQXFVSA-N 461.353 2.448 50 10 JEGE O=S(=O)(Cc1ncsc1Br)NCCOCCCI 2218984800 VPDKYZORSRXNMM-UHFFFAOYSA-N 469.164 2.167 50 10 JEGE CN1CCC(CCl)(NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CC1 2381144212 XJWGGLLPYCTEEQ-UHFFFAOYSA-N 456.008 2.466 50 10 JEGE COc1ccc(OCC(=O)NNC(=S)NC(=O)COc2ccc(Cl)cc2Cl)cc1 13979257 YPJWMCRYONHBOE-UHFFFAOYSA-N 458.323 2.482 50 10 JEGE CC(=O)NNC(=O)[C@@H](C)Sc1n[nH]c(N/N=C/c2ccccc2OCc2ccccc2)n1 59880836 GEJKALRPLIRCFC-LVCXCXRVSA-N 453.528 2.478 50 10 JEGE O=C(COc1ccc(OCC(=O)NN=Cc2ccccc2O)cc1)NN=Cc1ccccc1O 254735701 SCZDBYLWMJHNPN-UHFFFAOYSA-N 462.462 2.156 50 10 JEGE CCOC(=O)C1=NO[C@@H](Cc2c(C=NNC(=O)c3ccccc3)c(OC)c3c(c2OC)OCO3)C1 254855858 IWQQVOAAYYHURP-HNNXBMFYSA-N 483.477 2.447 50 10 JEGE COc1ccc(-c2cnc(CCC(=O)NNc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)o2)cc1 728216112 QVLXKJNVTGKFKR-UHFFFAOYSA-N 499.593 2.362 50 10 JEGE COc1cc(C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc(OC)c1OC 1860772058 PPHTUWVGFUFUTR-GFCCVEGCSA-N 486.550 2.385 50 10 JEGE C[C@H](NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O)c1nnc(CCl)s1 1877554299 MJZITLUPDOWFBN-BTDLBPIBSA-N 460.940 2.282 50 10 JEGE C[C@H](NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O)C1(CBr)CC1 2000533566 RDKCQYKYJDJPGV-SJCJKPOMSA-N 461.353 2.494 50 10 JEGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1Cc2ccc(B(O)O)cc2C1 2248396536 AOGCUXXUCKXZDF-MRXNPFEDSA-N 456.307 2.136 50 10 JEGE O=C(NOCCCNC(=O)c1ccc(F)cc1B(O)O)OCC1c2ccccc2-c2ccccc21 2255503631 NFVNKCDKKIZURH-UHFFFAOYSA-N 478.285 2.096 50 10 JEGE C[C@H](c1cscc1B(O)O)N(C)C(=O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2256665892 OPJDCQHEMPDTLE-BEFAXECRSA-N 462.377 2.057 50 10 JEGE N#CC(=CN=C1S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(F)cc1)C(=O)NCc1ccco1 2296553714 KAUAVNXJOQEGNM-MOPGFXCFSA-N 474.539 2.213 50 10 JEGE O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1Br)c1ccc(Cl)cc1I 2340051737 GVDYABDCPKUOEB-WCBMZHEXSA-N 478.533 2.235 50 10 JEGE COCc1cc(C)nc(OCC(=O)NN=Cc2ccc(I)o2)c1C#N 1084555567 KSEROQZWRUIRFS-UHFFFAOYSA-N 454.224 2.135 50 10 JEGE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNc3cccc(F)c3Cl)cc2)CC1 1453845745 JVIMKRSWCJUCST-UHFFFAOYSA-N 454.911 2.089 50 10 JEGE C[C@@H]1CN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@@H]1CBr 2000543137 MKDRUFYXNQSEAZ-VBHSOAQHSA-N 461.353 2.303 50 10 JEGE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@](NS(=O)(=O)N3CCC(Br)CC3)(C2)C1 2116630186 RQFKHQCTUFNTPY-SUMWQHHRSA-N 452.415 2.470 50 10 JEGE Cc1cccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)c1 2296720257 GIWBBNTXTJTIQG-KRWDZBQOSA-N 464.503 2.006 50 10 JEGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 2314796033 QGQGYKUIVJLRSS-UHFFFAOYSA-N 473.463 2.137 50 10 JEGE COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2S(=O)(=O)N2CCOCC2)cc1 35263150 WMHJFNWVMGEPQR-LGMDPLHJSA-N 457.508 2.270 50 10 JEGE COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2N)ccc1O 58987531 FKRMVBCODZCMHQ-ZVBGSRNCSA-N 477.344 2.378 50 10 JEGE O=C(COc1ccc(C=NNC(=O)C(=O)NCCc2ccccc2)cc1)NCc1ccccc1 725393371 RFLIABDBHRBHEZ-UHFFFAOYSA-N 458.518 2.191 50 10 JEGE CC(=O)N[C@@](C)(C(=O)NNC(=O)c1cccc2ccccc12)c1ccc(S(C)(=O)=O)cc1 1147586271 PMLLSEYARMEPDG-HSZRJFAPSA-N 453.520 2.056 50 10 JEGE O=C(Cc1ccccc1[N+](=O)[O-])NNC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 1860769698 DYNOZOOYIWSEOJ-UHFFFAOYSA-N 463.475 2.423 50 10 JEGE COc1ccc(-c2cc(C(=O)N[C@H](CO)C(=O)Nc3ccc(SC#N)cc3)nc(O)n2)cc1 1866623532 XJUPXZRVNAWSHD-LJQANCHMSA-N 465.491 2.160 50 10 JEGE COCCN(CCBr)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942087012 DSJIXWBIZFGGLJ-UHFFFAOYSA-N 461.378 2.126 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC1CC([C@H](F)CBr)C1 2078359941 FXYQGBMWMADTKC-RKDRFVOOSA-N 479.343 2.442 50 10 JEGE CC(C)(C)OC(=O)NC[C@](C)(CI)O[C@H]1CCCN(S(C)(=O)=O)C1 2249191027 VMBPRIPDEFZZPP-WFASDCNBSA-N 476.377 2.145 50 10 JEGE Cc1cc(Br)ccc1OCC(=O)NC(=S)NNC(=O)COc1ccccc1 13976247 MXEBXKDCIBPCJS-UHFFFAOYSA-N 452.330 2.237 50 10 JEGE C[C@H](NC(=O)/C(C#N)=C\N(CCN(C)C)[C@H]1CCS(=O)(=O)C1)c1ccc2c(c1)CCCC2 243162249 JQAGCHOZCCQYIW-MBSDFSHPSA-N 458.628 2.201 50 10 JEGE COc1ccc(C)cc1N(CC(=O)NN=Cc1ccc(OC2CSC2)cc1)S(C)(=O)=O 254592984 JIDWSUGTBPKYGG-UHFFFAOYSA-N 463.581 2.414 50 10 JEGE C=CCn1cc2ccc(NC(=O)NNC(=O)CN(C)S(=O)(=O)c3ccc(C)cc3)cc2n1 1627664279 JAIXXDGEFFVILW-UHFFFAOYSA-N 456.528 2.004 50 10 JEGE COc1cc(C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)ccc1[N+](=O)[O-] 1860772030 OTDCBEWQLGBRJE-LLVKDONJSA-N 471.495 2.276 50 10 JEGE CC(C)(C)OC(=O)N[C@@H]1CCN(S(=O)(=O)CI)CCC1(F)F 1910109313 WIATUOUCJUSHDO-SECBINFHSA-N 454.277 2.333 50 10 JEGE O=C(NCCNC(=O)c1ccc(Cl)c(B(O)O)c1)OCC1c2ccccc2-c2ccccc21 2243367520 UQOMKTWVPMIKTR-UHFFFAOYSA-N 464.714 2.288 50 10 JEGE Cc1cc(S(=O)(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)sc1B(O)O 2247940774 APDXCGNERPVSPD-UHFFFAOYSA-N 458.414 2.059 50 10 JEGE CC(C)(C)OC(=O)N[C@@H](CCOc1ncc(Br)cc1B(O)O)COCc1ccccc1 2303610986 OXSAXBHHZBTWIL-KRWDZBQOSA-N 495.179 2.403 50 10 JEGE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@@H](NS(=O)(=O)N3CCC(Br)CC3)C[C@H]12 2333021971 RTEDKPOXSJFBPI-ATGSNQNLSA-N 452.415 2.372 50 10 JEGE COc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)C[C@H]1CCS(=O)(=O)C1 34897970 IRZZRGNODOSQKY-KGTJKXQDSA-N 458.492 2.242 50 10 JEGE COC(=O)[C@H]1CN(C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CCO1 728537965 FQPTYWXLGAMUCX-JVCXIRSZSA-N 453.886 2.425 50 10 JEGE O=C(CC[C@H](O)c1ccccc1)NN=C[C@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O 1084342454 UGPUPONUHBMYRJ-IRXDYDNUSA-N 458.927 2.320 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC=C[C@H]1CBr 2011250877 JFGQAEUQYAVRSC-UGSOOPFHSA-N 459.337 2.366 50 10 JEGE Cc1cnc(OC2(CCNC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)cc1B(O)O 2240312381 AGAJISOXPXLNMI-UHFFFAOYSA-N 469.391 2.398 50 10 JEGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)cc1B(O)O 2256625009 QPGTWCRNBHXQCV-IFXJQAMLSA-N 462.739 2.457 50 10 JEGE Cc1cc(B(O)O)c(F)c(C(=O)N(OCc2ccccc2)C2CN(C(=O)OC(C)(C)C)C2)c1 2267246935 VADKBASMOKYEQW-UHFFFAOYSA-N 458.295 2.007 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC(F)(F)C(F)(F)CCl 2336527516 QOGYAHKXZUXXJZ-CQSZACIVSA-N 462.824 2.440 50 10 JEGE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(F)c(F)cc1B(O)O 2351780277 DSXSICGPWJFBNB-BFUOFWGJSA-N 464.274 2.082 50 10 JEGE O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)NNC(=O)c1ccc(NC(=O)C2CC2)cc1 10450684 WKXIAVOQUSNSGW-NYYWCZLTSA-N 453.480 2.292 50 10 JEGE O=C(NNc1ncnc(-n2nnc3ccccc32)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 40658706 JTNUFMMZPAXCHB-UHFFFAOYSA-N 455.778 2.437 50 10 JEGE COc1cc(C(C)=NNC(=O)c2nnn(-c3nonc3N)c2CSc2ccccc2)ccc1O 254759862 SCCRCIFVRJEXEN-UHFFFAOYSA-N 480.510 2.393 50 10 JEGE CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)NNC(=O)c2ccc(Br)cc2)C1 1338538420 KALWTQYCXPMRAZ-QGZVFWFLSA-N 459.300 2.408 50 10 JEGE CC(C)(C)OC(=O)NC[C@H]1C[C@@](F)(CNS(=O)(=O)N2CCC(Br)CC2)C1 2115646537 ZYBPDAZPJRDRNQ-YGUOUDRMSA-N 458.394 2.323 50 10 JEGE CC(C)(C)OC(=O)N[C@H]1CN(S(=O)(=O)c2ccc(CBr)cc2)CC[C@H]1CO 2178899075 XJIDRECVIHAVRA-HOCLYGCPSA-N 463.394 2.478 50 10 JEGE C[C@H](c1cscc1B(O)O)N(C)C(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2268707401 SDKIDLQSYUOGHI-SJLPKXTDSA-N 476.404 2.448 50 10 JEGE Cc1cccc(O[C@@H](C)C(=O)NNC(=O)CCc2nc(=O)c3cnn(-c4ccccc4)c3[nH]2)c1C 18103290 LPKZDJOYYHBUBF-KRWDZBQOSA-N 474.521 2.273 50 10 JEGE O=C(NNc1ncnc(N2CCN(c3ccccn3)CC2)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 40658670 GFVGFXPATSQACB-UHFFFAOYSA-N 499.875 2.425 50 10 JEGE COc1ccc(OC)c(C=NNC(=O)c2nnn(-c3nonc3N)c2CSc2ccccc2)c1 254491041 BTXURTACWZCUFM-UHFFFAOYSA-N 480.510 2.306 50 10 JEGE COc1cccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3ccco3)cc2OC)c1 254868321 DLVXLVSQPUNXOY-UHFFFAOYSA-N 451.435 2.396 50 10 JEGE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNc3ccc(Cl)c(F)c3)c2)CC1 1295275105 GATXJJFNUBVMOM-UHFFFAOYSA-N 454.911 2.089 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H](Br)CBr 1961813216 BSKKXKBGXWVSJS-NSHDSACASA-N 496.221 2.387 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](F)[C@@H](CBr)C1 2008018715 QMAVYHQJFLMFJN-SWLSCSKDSA-N 461.353 2.303 50 10 JEGE CCc1cc(B(O)O)ccc1NC(=O)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2268607908 GBUIHQXRXDPTNZ-FQEVSTJZSA-N 456.348 2.368 50 10 JEGE O=C(NNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1cc(-c2ccccc2)on1 27260449 AIQKFICYNJLLGK-UHFFFAOYSA-N 454.508 2.204 50 10 JEGE COC(=O)c1ccccc1N(C)c1ncnc(NNC(=O)COc2ccccc2)c1[N+](=O)[O-] 40659508 YVWMYCWSWSIWLP-UHFFFAOYSA-N 452.427 2.461 50 10 JEGE Cc1ccccc1NC(=O)COc1ccccc1C=NNC(=O)C(=O)NCCCOC(C)C 254412789 MLFGQFQPSLCFMT-UHFFFAOYSA-N 454.527 2.394 50 10 JEGE CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NNC(=O)CNC(=O)c1ccco1 725902934 YJOWMIXSULTPPQ-OAHLLOKOSA-N 469.325 2.308 50 10 JEGE O=C(NNC(=O)[C@H](Oc1ccc(F)c(Cl)c1)c1ccccc1)N[C@@H]1CCS(=O)(=O)C1 730534835 PHKVEJCHEJNOKV-CXAGYDPISA-N 455.895 2.117 50 10 JEGE CC(C)Cn1cnc2c1c(=O)n(CC(=O)NN=Cc1ccccc1)c(=O)n2Cc1ccccc1 916331311 GUDXBIVRNNOGRU-UHFFFAOYSA-N 458.522 2.214 50 10 JEGE CCN(CC)C(=O)CN1C(=O)C(=NNC(=O)CSCC(=O)Nc2ccccc2)c2ccccc21 1084094506 SNGIHTYWXJSGHL-UHFFFAOYSA-N 481.578 2.094 50 10 JEGE C=CC[C@]1(C(=O)NNC(=O)[C@@H]2CCN2C(=O)OC(C)(C)C)CCCN1C(=O)OC(C)(C)C 1645021660 LTTVPAIDRLPWAJ-OYHNWAKOSA-N 452.552 2.489 50 10 JEGE CN(C)CCCN1C(=O)c2ccc(C(=O)NCC(=O)Nc3ccc(SC#N)cc3)cc2C1=O 1868130315 IWLVRAXTQPMHRG-UHFFFAOYSA-N 465.535 2.176 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CBr)C(F)(F)F 2000545160 RCDKZKSPZNGLPE-RISCZKNCSA-N 475.258 2.256 50 10 JEGE C#CC[C@@](C)(CBr)CNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2084846512 AIWTYWZYNHBBBM-RBUKOAKNSA-N 473.364 2.355 50 10 JEGE CN(C1(CNC(=O)OC(C)(C)C)CCOCC1)S(=O)(=O)N1CCC(Br)CC1 2163050906 OEBJHPFEGFANFA-UHFFFAOYSA-N 470.430 2.096 50 10 JEGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ncc(B(O)O)s1 2256619446 YSISGHYUGGWBDR-WNSKOXEYSA-N 493.394 2.393 50 10 JEGE C[C@H](NC(=O)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)c1cc(B(O)O)cs1 2283953222 QONKDMZTQVFGOZ-KRWDZBQOSA-N 487.431 2.165 50 10 JEGE N#CC[C@@](O)(C#N)c1c(F)c(F)c([C@@H](C#N)c2ccc(N(CCO)CCO)cc2)c(F)c1F 514260781 PXIHAXXZJWNGMC-OYHNWAKOSA-N 462.403 2.314 50 10 JEGE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNc3ncnc4ccsc34)CC2)cc1 1622078404 FPMYSZDJSXPZPS-UHFFFAOYSA-N 459.553 2.438 50 10 JEGE CC(C)(C)OC(=O)N[C@@H]1c2ccccc2C[C@@H]1NS(=O)(=O)CI 1983328342 WISFHUJSKSSECD-QWHCGFSZSA-N 452.314 2.489 50 10 JEGE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)N2CCC(Br)CC2)[C@H]2CCC[C@@H]21 2106298119 JVEDUKGXKSVSLZ-ILXRZTDVSA-N 452.415 2.468 50 10 JEGE CC(C)(C)OC(=O)N1CCCC[C@@H]2[C@@H](NS(=O)(=O)N3CCC(Br)CC3)[C@@H]21 2106306450 ZAQCWRDQODFIII-RBSFLKMASA-N 452.415 2.468 50 10 JEGE CC(C)(C)OC(=O)NC[C@](C)(CI)O[C@@H]1CCCN(S(C)(=O)=O)C1 2249191023 VMBPRIPDEFZZPP-DOMZBBRYSA-N 476.377 2.145 50 10 JEGE COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(=O)CBr)CC3 5437205 JPMVHEYIIWDGRN-NRFANRHFSA-N 461.264 2.066 50 10 JEGE COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1cccc(C)c1 9696113 MTQJQJHHRDGQCY-UHFFFAOYSA-N 452.330 2.481 50 10 JEGE C=CCOc1ccccc1C(=O)NNC(=S)NC(=O)CCC(=O)OCCc1ccccc1 14024163 RUZMBQQJPIVECF-UHFFFAOYSA-N 455.536 2.453 50 10 JEGE COCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccccc1[N+](=O)[O-] 14662942 GPPPFRAMWGYKRW-UHFFFAOYSA-N 497.327 2.332 50 10 JEGE COc1cccc(-c2c(C(=O)NN=Cc3ccc(OC(C)C)cc3)nnn2-c2nonc2N)c1 254395320 PGGBOZKDOWESCH-UHFFFAOYSA-N 462.470 2.459 50 10 JEGE Cc1ncc(S(=O)(=O)NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)[nH]1 727350826 WJBWZSWMHDHKJY-UHFFFAOYSA-N 469.552 2.068 50 10 JEGE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)/C(C#N)=C/c2cc(C)n([C@H](C)COC)c2C)CC1 727742969 LMNWAWLDOUIXNL-QTCOBDOFSA-N 499.637 2.476 50 10 JEGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNS(=O)(=O)c4cccs4)c(=O)c23)C1 1860770440 ICFPUTNXMPUMKX-GHMZBOCLSA-N 452.583 2.215 50 10 JEGE Cn1ncc(Br)c1S(=O)(=O)NC(C)(CBr)CBr 1942137851 IXEQAWVJKBKFHA-UHFFFAOYSA-N 453.982 2.009 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCOC[C@@](C)(CBr)C1 2135095812 SAJRLYILPQMTOG-FQEVSTJZSA-N 487.416 2.372 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H]2COC[C@]2(CBr)C1 2226183804 USEMLDDWNZQMPV-QRWLVFNGSA-N 485.400 2.126 50 10 JEGE CC1=C(C#N)C(=O)N(C)C(=O)/C1=C/NN1C(=O)c2cccc3c(Br)ccc(c23)C1=O 101458838 RNRBINLATDSAFC-OQLLNIDSSA-N 465.263 2.425 50 10 JEGE C=CCN(CC=C)C(=O)/C(C#N)=C\Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 217256430 LBLYJOBUAYMNNF-NXVVXOECSA-N 450.948 2.381 50 10 JEGE CC(C)OC(=O)C1=c2sc(=Cc3cccs3)c(=O)n2C(N)=C(C#N)[C@@H]1c1cccs1 254758647 KGOBUHBQKFGQGY-MRXNPFEDSA-N 455.586 2.412 50 10 JEGE CS(=O)(=O)N1CCN(C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CC1 843501083 HSPJLTCDSLKCKE-LGMDPLHJSA-N 472.958 2.128 50 10 JEGE C=CC(=O)N1CCC(C(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)(c2ccccc2)CC1 1628307901 UENLETQDJFFJKK-UHFFFAOYSA-N 456.568 2.126 50 10 JEGE Cc1ccc(C(=O)CCC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1 1860770864 AKURWXCVOZVLOZ-UHFFFAOYSA-N 452.536 2.456 50 10 JEGE C[C@@H]1CCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)[C@@H]1CBr 2000539638 BMXFCGAEVONAMM-CDHAZOANSA-N 461.353 2.446 50 10 JEGE CC(C)(C)OC(=O)N1C[C@H]2CN(S(=O)(=O)N3CCC(Br)CC3)CC[C@H]2C1 2106773719 UCUSOFRYUXDSIB-KBPBESRZSA-N 452.415 2.279 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@@H]2OCCC[C@]2(CBr)C1 2230593315 YHFCCYRYWUEGDE-PXNSSMCTSA-N 485.400 2.269 50 10 JEGE CC(C)(C)OC(=O)NCC(C)(C)OCCNS(=O)(=O)N1CCC(Br)CC1 2278396796 MRWOUUYVKDBHGB-UHFFFAOYSA-N 458.419 2.000 50 10 JEGE Cn1cc(C(=O)NN=CC2=C(N3CCOCC3)/C(=C/c3cccc([N+](=O)[O-])c3)CC2)ccc1=O 3191108 CZMFDMDIWUYSER-LGHJOQEKSA-N 463.494 2.473 50 10 JEGE O=C(NC(=S)NNC(=O)c1ccccc1I)c1ccc([N+](=O)[O-])cc1 12501067 XHPRGIHZMOSKCP-UHFFFAOYSA-N 470.248 2.149 50 10 JEGE CC(C)(C)C(=O)CN(C=NN(C=O)CC(=O)c1ccccc1)S(=O)(=O)C1(O)CCCCC1 254745226 RBLHUKKXCJHPAT-UHFFFAOYSA-N 465.572 2.171 50 10 JEGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NNC(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1 799540319 APNMMGUIFPJJPC-UHFFFAOYSA-N 472.611 2.060 50 10 JEGE COc1ccc(C(C)=NNC(=O)CCCSc2nnc(-c3ccncc3)n2N)cc1OC 1084101546 YQZNAVLRDWMDAF-UHFFFAOYSA-N 455.544 2.484 50 10 JEGE COc1cc(CCNC(=O)C(=O)NN=Cc2cccc(Br)c2)cc(OC)c1OC 1084323651 WYSDOACELTZBHY-UHFFFAOYSA-N 464.316 2.284 50 10 JEGE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)CO)c1 1161080946 ZWMYQEZCYZXHLT-UHFFFAOYSA-N 458.323 2.128 50 10 JEGE CC(C)(C)OC(=O)N1CCC([C@@H](F)CNS(=O)(=O)CI)CC1 1910107615 OEAQGLPJOMLWQE-NSHDSACASA-N 450.314 2.284 50 10 JEGE CCC(CBr)(CBr)NS(=O)(=O)c1cc(Br)nn1C 2029274483 LXVMSVYEBBPWNS-UHFFFAOYSA-N 468.009 2.400 50 10 JEGE NCCSSCCNS(=O)(=O)c1c(Br)cc(N)cc1Br 2191636922 WUUCKMSRTSQKCU-UHFFFAOYSA-N 465.258 2.412 50 10 JEGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2cccc(B(O)O)c21 2248416731 YDNCQVRXIXMYBW-INIZCTEOSA-N 456.307 2.183 50 10 JEGE Cc1cc(C(=O)NCC2(N(Cc3ccccc3)Cc3ccccc3)COC2)cc(C)c1B(O)O 2282473505 LTBRDARUAYVMKF-UHFFFAOYSA-N 458.367 2.184 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)Nc2ccc(F)c(B(O)O)c2)C1 2283983836 PDULGSRICAHWSU-DEOSSOPVSA-N 472.322 2.288 50 10 JEGE O=C(C=Cc1ccc([N+](=O)[O-])s1)NNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 2325888244 VOGHUGOLYZEJKG-UHFFFAOYSA-N 459.509 2.167 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2OCCC[C@]2(CCl)C1 2358884618 UZMZSMYTKZPDDS-DBVUQKKJSA-N 458.939 2.060 50 10 JEGE Cn1nc(Br)c(Br)c1C(=O)N1CCCN(CCBr)CC1 2364017442 KVNQSCLXMRJECV-UHFFFAOYSA-N 473.007 2.488 50 10 JEGE O=C(CCOc1ccccc1)NNC(=O)NCCCNC(=O)c1cccc(Br)c1 725865800 KTTQZUXCXUWCLH-UHFFFAOYSA-N 463.332 2.369 50 10 JEGE Cc1cccc(OCC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1C 1860769985 ORINLSGLDDMJOE-CYBMUJFWSA-N 454.552 2.426 50 10 JEGE CC(C)(C)OC(=O)N[C@@H]1CCC2(CCOCC2)N(S(=O)(=O)CI)C1 2018010091 FMXUJLQOPGEEEG-GFCCVEGCSA-N 474.361 2.247 50 10 JEGE C[C@H](Br)C[C@H]1COCCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2128872236 APUUYHYCFPDPBH-CKFHNAJUSA-N 491.379 2.215 50 10 JEGE CN1CCN(S(=O)(=O)c2ccc(CBr)cc2)[C@H](CNC(=O)OC(C)(C)C)C1 2163059043 PZOFNJCKKPIJSY-OAHLLOKOSA-N 462.410 2.411 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2OCCC[C@]2(CCl)C1 2239163367 UOXFVVZBMRQGCS-UTKZUKDTSA-N 454.976 2.358 50 10 JEGE Cn1nc(C(=O)NCCSSCCNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2267546472 XECKLZMTBBWTCX-UHFFFAOYSA-N 486.469 2.355 50 10 JEGE Cc1c(NC(=O)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)ccc(B(O)O)c1Cl 2283957965 UNGLFPIDNQHEHE-XMMPIXPASA-N 487.793 2.436 50 10 JEGE COc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc([N+](=O)[O-])cc2)cc1I 14037916 VFIWKOPCQSCYJB-JTQLQIEISA-N 485.234 2.437 50 10 JEGE C[C@H](C(=O)N1CCCCC1)N1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 101052154 GZTZQEQSWBKTJG-VWBGDHHKSA-N 462.182 2.165 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H]2C[C@H]1[C@@H]2CBr 2024033754 AEFLGYDFVUKUDC-XYPHTWIQSA-N 455.374 2.498 50 10 JEGE C[C@H](Br)C[C@H]1COCCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2128872247 APUUYHYCFPDPBH-NJSLBKSFSA-N 491.379 2.215 50 10 JEGE CCc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 2296544525 VTOFPLLNHBMFKH-SFHVURJKSA-N 478.530 2.259 50 10 JEGE CC1CCN(Cc2c(C(=O)N/N=C/c3ccc(OC(C)C)cc3)nnn2-c2nonc2N)CC1 15937018 PSCYMHJAJFMXMI-WYMPLXKRSA-N 467.534 2.016 50 10 JEGE CCOc1ccc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3S(=O)(=O)NC)CC2)cc1 727743396 XXJXREGCNXUZJO-MNDPQUGUSA-N 454.552 2.249 50 10 JEGE Cc1c(C(=O)NNC(=O)c2ccco2)oc2c1C(=NNS(=O)(=O)c1ccc(F)cc1)CCC2 1772751586 GJCHSPQRVCPPDI-UHFFFAOYSA-N 474.470 2.414 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CBr)C[C@H]1CCOC1 1883271134 XXRJBJYPJVZDKJ-HUUCEWRRSA-N 487.416 2.418 50 10 JEGE C[P@@]1(=O)C[C@H](NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)[C@@H](Br)C1 2008547912 XFXBIDDZQREQIH-USBFQFRLSA-N 477.317 2.121 50 10 JEGE Cn1nc(Br)c(Br)c1C(=O)N1CCOC[C@@H](CBr)C1 2338680341 BPADBWXTDOKPDD-ZETCQYMHSA-N 459.964 2.429 50 10 JEGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\[C@@H]2C(=O)NC(=S)N(c3ccccc3)C2=O)cc1 100239155 UYQFDOPHVWJQPL-MGPOACGJSA-N 468.535 2.065 50 10 JEGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3cccc(OCc4cscn4)c3)cc2)CC1 728213302 JNCRKJSSRWIIIQ-UHFFFAOYSA-N 487.607 2.415 50 10 JEGE NC(=O)[C@@H]1CCCN(Cc2cccc(CNC(=O)NNC(=O)c3cccc4cccnc34)c2)C1 731043538 GYXYEZUFZXWWRX-HXUWFJFHSA-N 460.538 2.076 50 10 JEGE CCOc1ccc(C=NNc2nc(SCC(=O)NNC(=O)c3ccc(F)cc3)n[nH]2)cc1 1084532454 ZUUIPUUYQUIQAV-UHFFFAOYSA-N 457.491 2.342 50 10 JEGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1C(=NNC(N)=S)CC(C)(C)C2 1772729146 GUBNVTUPAZLUML-UHFFFAOYSA-N 458.500 2.081 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC=C[C@@H]1CBr 2011250875 JFGQAEUQYAVRSC-FZKQIMNGSA-N 459.337 2.366 50 10 JEGE C[C@@H](C[S@@](C)(=O)=NS(=O)(=O)N1CCC(Br)CC1)NC(=O)OC(C)(C)C 2044694594 WPBHTEAYSZIMDR-APXPCNQMSA-N 462.432 2.102 50 10 JEGE O=S1(=O)CCC(CBr)(CNS(=O)(=O)CCCOCc2ccccc2)CC1 2135072140 ARWLJBRLQDOAML-UHFFFAOYSA-N 468.435 2.103 50 10 JEGE C[P@]1(=O)C[C@@H](Br)[C@@H](NS(=O)(=O)Cc2ncsc2Br)C1 2226104366 GSEASPQXISLBRR-ZZHYIZSMSA-N 452.130 2.464 50 10 JEGE COc1ccc(NC(=O)[C@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)c(B(O)O)c1 2248401492 JQNSHWXOISJMNM-HNNXBMFYSA-N 460.295 2.241 50 10 JEGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)c1ccc(B(O)O)cc1 2248416622 WLEXJNBUJZEUCM-IRXDYDNUSA-N 458.323 2.471 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H]1CC[C@@H](CBr)CO1 2264699686 RPRCFXWZZDVMPA-NJSLBKSFSA-N 491.379 2.120 50 10 JEGE COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1cc(OC)c(OC)c(OC)c1 9696119 IBZGESHKRJUJES-UHFFFAOYSA-N 498.355 2.433 50 10 JEGE CC(=O)N1c2ccc(S(=O)(=O)NNC(=O)c3ccccc3Br)cc2C[C@H]1C 28678420 BQPIZKWUXYDOFR-LLVKDONJSA-N 452.330 2.370 50 10 JEGE COc1ccc(OC)c(NC(=O)/C(C#N)=C\N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1 217218392 SEYJQZUVGDCVDV-VLGSPTGOSA-N 470.551 2.365 50 10 JEGE CCOc1ccc(C)cc1[C@H](C)NC(=O)/C(C#N)=C\N(CCN(C)C)[C@H]1CCS(=O)(=O)C1 253318976 IMHFPKIVENXGTP-DXYYDQEASA-N 462.616 2.029 50 10 JEGE COc1ccc(C(=O)NNC(=O)C2CCN(C(=O)N(C)Cc3ccccc3)CC2)cc1OC 727292627 FTLGFJZFMXIYLR-UHFFFAOYSA-N 454.527 2.429 50 10 JEGE COc1ccc(C=NNC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc1[N+](=O)[O-] 1084324414 RHBLQQRVSGWIDQ-UHFFFAOYSA-N 485.316 2.282 50 10 JEGE COc1ccc(C)cc1S(=O)(=O)NNC(=O)[C@@H](C)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860770791 XGEWHTRTXIRAOD-TZMCWYRMSA-N 490.607 2.471 50 10 JEGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(N4CCCC4)cc3)C2)C1 1872962492 UPSOVXQEERQESI-UXHICEINSA-N 476.581 2.417 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@H]2[C@H](C1)[C@@H]2CNS(=O)(=O)N1CCC(Br)CC1 2138560271 KMJCLGZEVNLRGV-KFWWJZLASA-N 452.415 2.183 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2C[C@H](CBr)[C@@H]2C1 2309714717 GSEDREHKPDCAOG-IECZYAKXSA-N 473.364 2.303 50 10 JEGE COC(=O)[C@H](I)CNC(=O)Cc1ccc(OC)cc1Br 2364183623 DPJALWLMAGMWSQ-LLVKDONJSA-N 456.074 2.093 50 10 JEGE COc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1I 13622994 YDNGVZAMFDQXCL-HNNXBMFYSA-N 493.301 2.110 50 10 JEGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1OC 13977389 HQHLNVTZFUXQNU-UUILKARUSA-N 468.535 2.401 50 10 JEGE COc1cc(C=NNC(=O)c2nnn(-c3nonc3N)c2CSc2ccccc2)cc(OC)c1O 254310190 PQMWNXZVYWFQOE-UHFFFAOYSA-N 496.509 2.012 50 10 JEGE Cn1cc(C(=O)NNC(=O)CC[C@@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21 730769457 KBFCFPQSLAIKOF-KRWDZBQOSA-N 453.886 2.498 50 10 JEGE Cc1sc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)c(B(O)O)c1C 2268655843 QHNVKXIOLOXDIH-YWZLYKJASA-N 476.404 2.160 50 10 JEGE CCOc1cc(C=C(C#N)C(=O)N(C)C)cc(I)c1OCC(=O)OC 2313568072 OUPFODAWNQFEDS-UHFFFAOYSA-N 458.252 2.237 50 10 JEGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2c(N3CCC(C(N)=O)CC3)nc3ccccn3c2=O)cc1 4456111 PDKJNWFPNRRSDO-RGEXLXHISA-N 477.546 2.043 50 10 JEGE CCc1ccc(OCC(=O)NNS(=O)(=O)c2ccccc2[N+](=O)[O-])c(Br)c1 13977613 VFBDKTFCMXFOKD-UHFFFAOYSA-N 458.290 2.308 50 10 JEGE C[C@H]1CO[C@@H](CBr)CN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2029232428 INKIIKNEUWIVJD-GJZGRUSLSA-N 473.389 2.267 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC[C@H]1COC[C@H]1Br 2048708345 WYHDYSSXUMFBHV-XJKSGUPXSA-N 473.389 2.028 50 10 JEGE CC(C)(C)OC(=O)NC[C@H]1C[C@H]([S@](C)(=O)=NS(=O)(=O)N2CCC(Br)CC2)C1 2192627654 VBXMXMJTQQXRKY-NVIBNEEGSA-N 488.470 2.492 50 10 JEGE O=C(CCCNC(=O)OCC1c2ccccc2-c2ccccc21)Nc1ncc(B(O)O)cc1F 2248899759 OMPTZPAOBDBUHS-UHFFFAOYSA-N 463.274 2.158 50 10 JEGE C[C@H](NC(=O)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1)c1cscc1B(O)O 2283990535 GGIWZULFWKUOSS-XDHUDOTRSA-N 488.415 2.449 50 10 JEGE O=C(CCCBr)NCCS(=O)(=O)N1CCN(c2ccccc2Cl)CC1 10070393 MNCPEUMNPHSMJM-UHFFFAOYSA-N 452.802 2.083 50 10 JEGE O=C(Cc1cccc2ccccc12)NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 13630193 CVNWNSJGMYOJGS-KRWDZBQOSA-N 450.520 2.046 50 10 JEGE Nn1c(CCc2ccccc2)nnc1SCCCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O 58988121 SVZWKZHEHNWFJT-OEAKJJBVSA-N 469.527 2.414 50 10 JEGE Cc1cc(C)cc(OCC(=O)NNC(=O)CCCCC(=O)NNC(=O)COc2cc(C)cc(C)c2)c1 100096413 IPONDAYOHAHTPL-UHFFFAOYSA-N 498.580 2.233 50 10 JEGE COC[C@](C)(CBr)N(C)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 689243534 OHZFSPGKLYMBGC-IBGZPJMESA-N 475.405 2.370 50 10 JEGE C[C@@H](NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O)c1nnc(CCl)s1 1877554298 MJZITLUPDOWFBN-BMLIUANNSA-N 460.940 2.282 50 10 JEGE O=S(=O)(CI)N[C@@H]1CN(Cc2ccccc2)[C@]2(CCCOC2)C1 1983330252 CWKSFMIULWFABJ-JKSUJKDBSA-N 450.342 2.122 50 10 JEGE CN(CC(F)(F)CBr)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000543644 XTCSTTPUSDHKFV-HNNXBMFYSA-N 471.295 2.303 50 10 JEGE O=C(C=Cc1ccco1)NCC(=O)NN=C1C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21 2296382162 TWDHEHMFFVJRSF-UHFFFAOYSA-N 472.457 2.205 50 10 JEGE CCOc1ccc(C)cc1[C@H](C)NC(=O)C(C#N)=CNCCc1ccc(S(N)(=O)=O)cc1 2325074128 FGHJORQHGUGZPH-KRWDZBQOSA-N 456.568 2.458 50 10 JEGE Cc1ccccc1NC(=O)C(=O)N/N=C1/C(=O)N(CC(=O)Nc2ccccc2)c2ccccc21 1921915 FMAJNWSRPJQWSM-XAYXJRQQSA-N 455.474 2.439 50 10 JEGE COC(=O)c1cccc(C(=O)NC(=S)NNC(=O)c2ccccc2I)c1 10293888 VPQOICFYBJIENL-UHFFFAOYSA-N 483.287 2.027 50 10 JEGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C)cc2Br)cc1 14657215 LHSGRLSJFGVHPI-UHFFFAOYSA-N 496.383 2.497 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2C[C@@H](CBr)[C@@H]2C1 2309714718 GSEDREHKPDCAOG-LKTHJCGVSA-N 473.364 2.303 50 10 JEGE CCNC(=S)NCCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1859008481 RXEZVCJSLMQRBW-UHFFFAOYSA-N 452.514 2.099 50 10 JEGE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@@H]1CN(S(=O)(=O)CI)C[C@@H]21 1983326521 BALFHEKUTUNQRG-XQHKEYJVSA-N 456.346 2.286 50 10 JEGE CC(C)[C@@H](Br)C(=O)N=[S@](=O)(N(C)C)N1CCN(C(=O)OC(C)(C)C)CC1 2106590656 JHONEWOUQOJTQL-SRGMZFCMSA-N 455.419 2.345 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CBr)C[C@H]1CCCO1 2108230534 JRTQESKJWSWBEZ-LPMFXHHGSA-N 491.379 2.263 50 10 JEGE CN(CC1CC(Br)C1)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O 2197731953 FZCDPFWUOJLVGG-JXQTWKCFSA-N 467.426 2.431 50 10 JEGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ncc(B(O)O)s1 2243687188 VPXQWLPCVGNTOI-FQEVSTJZSA-N 465.340 2.325 50 10 JEGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)Nc1ccc(F)c(F)c1B(O)O 2268700432 KPCVMVUXHMDXHZ-OAHLLOKOSA-N 464.274 2.083 50 10 JEGE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)Nc2ccc(F)c(F)c2B(O)O)C1 2284143800 SBFPPKJUTMTRQC-UHFFFAOYSA-N 476.285 2.037 50 10 JEGE N#CCCN(CCC#N)c1ncnc(NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1[N+](=O)[O-] 40618152 GTLFEIJFSCYDDN-UHFFFAOYSA-N 459.810 2.337 50 10 JEGE COCCCNC(=O)C(=O)NN=Cc1ccc(OCC(=O)Nc2c(C)cc(C)cc2C)cc1 252610989 IFMSWHRVGOOSCR-UHFFFAOYSA-N 454.527 2.232 50 10 JEGE Cc1nn(-c2ccccc2)c(N2CCCCC2)c1/C=N/NC(=O)CSc1nc(N)cc(N)n1 253562072 CUTNTSAOPZJIEH-DHRITJCHSA-N 465.587 2.368 50 10 JEGE CC(=NNC(=O)c1cn(C)c2ccccc12)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 729816745 RUCIEJYZZYJDBV-UHFFFAOYSA-N 462.553 2.058 50 10 JEGE CC(=NNC(=O)CSc1nnc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1N)c1ccc(C)cc1 1084027941 MGIRVBDCDMZMDO-UHFFFAOYSA-N 470.471 2.416 50 10 JEGE COc1ccc(C(C)=NNC(=O)CCCSc2nnc(-c3cccnc3)n2N)c(OC)c1 1084540820 BRBIBUCLPTUNRK-UHFFFAOYSA-N 455.544 2.484 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@@H]2CCC[C@@H](Br)[C@H]2C1 1945730247 GWEJLJRQLMLPNV-RRQGHBQHSA-N 455.374 2.498 50 10 JEGE O=C(N[C@H]1COCC[C@@H]1NS(=O)(=O)CCC(CCl)CCl)OCc1ccccc1 2044259145 YPOIBIPPYQJOBK-IRXDYDNUSA-N 453.388 2.474 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CNS(=O)(=O)N3CCC(Br)CC3)[C@@H]2C1 2138560273 KMJCLGZEVNLRGV-RBSFLKMASA-N 452.415 2.183 50 10 JEGE C[C@@H](c1cscc1B(O)O)N(C)C(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2268707400 SDKIDLQSYUOGHI-FUHWJXTLSA-N 476.404 2.448 50 10 JEGE CN([C@H]1COC[C@@H]1Br)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316826081 WVLOXTDMLVVKPF-IRXDYDNUSA-N 473.389 2.267 50 10 JEGE COc1ccc(OCC(=O)NC(=S)NNC(=O)CCC(=O)Nc2ccc(C)cc2C)cc1 13978804 BGHGFLXDZNKSSZ-UHFFFAOYSA-N 458.540 2.132 50 10 JEGE Cc1c(C(=O)NNC(=O)c2ccncc2)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 101607204 QGOVSZMWIRYLPP-NLRVBDNBSA-N 490.476 2.365 50 10 JEGE Cc1cccc(NC(=O)CN2C(=O)C(=NNC(=O)C(=O)NCc3ccccc3)c3ccccc32)c1 254742284 RMGYLPOYXKWOGS-UHFFFAOYSA-N 469.501 2.117 50 10 JEGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)N[C@H]2CCN(CC(F)(F)F)C2)cc1 747194419 IEFSMPCXATWJJW-FJJYYWMZSA-N 490.486 2.094 50 10 JEGE O=C(CSc1n[nH]c(NN=Cc2ccc(Br)cc2)n1)NNC(=O)C1CCC1 1084356123 IECQIWSYSHFSIG-UHFFFAOYSA-N 452.338 2.053 50 10 JEGE CS(=O)(=O)CC1CN(S(=O)(=O)c2cc(CBr)sc2Br)C1 2179792658 JBFBFVRAHGJKKJ-UHFFFAOYSA-N 467.226 2.071 50 10 JEGE N#CC(=Cc1c(Oc2ccc(Cl)cc2)nc2ccccn2c1=O)C(=O)N[C@H]1CCS(=O)(=O)C1 2296721768 SDZAEHWDPUCKMR-INIZCTEOSA-N 484.921 2.350 50 10 JEGE Cc1cccc(OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCCc2ccccc2)c1 13999298 ZYWLYEIJUNPNIK-UHFFFAOYSA-N 457.552 2.352 50 10 JEGE COc1cccc(C=NNC(=O)CSc2nnc(-c3ccccc3Br)n2N)c1O 1083861197 WACSCNFNGUVRKQ-UHFFFAOYSA-N 477.344 2.378 50 10 JEGE CC(C)(C)OC(=O)N1C[C@@H](CNS(=O)(=O)N2CCC(Br)CC2)OCC1(C)C 2165620022 ATMKYYMXKZNTJQ-CQSZACIVSA-N 470.430 2.095 50 10 JEGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1cc(B(O)O)ccc1F 2248442166 QIFCMRGXSPKOOW-HNNXBMFYSA-N 462.286 2.049 50 10 JEGE O=C(NOCCCNC(=O)c1cccc(B(O)O)c1F)OCC1c2ccccc2-c2ccccc21 2255501514 RCTNFYBLUQXVJU-UHFFFAOYSA-N 478.285 2.096 50 10 JEGE Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)CNC(=O)[C@H]1COc2ccccc2O1 85387946 BUABCILEMLXDRE-SXPOYZCRSA-N 453.886 2.240 50 10 JEGE C=Cc1ccccc1NC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1674242416 PEGCULKWYPXHTQ-UHFFFAOYSA-N 458.540 2.136 50 10 JEGE CC(C)(C)OC(=O)NC[C@@H]1CN(S(=O)(=O)CI)C2(CCOCC2)C1 2007723581 XAUOVUOPPVLLAP-GFCCVEGCSA-N 474.361 2.105 50 10 JEGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ncc(B(O)O)cn1 2257352847 AUDLZHFUSPNTPB-QFIPXVFZSA-N 474.326 2.048 50 10 JEGE O=C(COc1ccccc1Cl)NNC(=S)NC(=O)CCC(=O)OCCc1ccccc1 14011522 PIVBYHVNJRJBOO-UHFFFAOYSA-N 463.943 2.307 50 10 JEGE COc1ccc(C)cc1S(=O)(=O)NNC(=O)[C@@H](C)n1cnc2sc3c(c2c1=O)CC[C@H](C)C3 1860770788 XGEWHTRTXIRAOD-GXTWGEPZSA-N 490.607 2.471 50 10 JEGE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)N2CCC(Br)CC2)[C@@H]2CCC[C@@H]21 2106298120 JVEDUKGXKSVSLZ-KKUMJFAQSA-N 452.415 2.468 50 10 JEGE CC(C)(C)OC(=O)Nc1cc(I)cc(C(=O)N2CC[C@@H](B(O)O)C2)c1 2319671313 KFVYXSMLPCNPIK-LLVKDONJSA-N 460.077 2.327 50 10 JEGE NNC(=O)c1nc(COCc2cc(I)ccc2Br)ns1 2367278243 DTKKMXUHBRHMQH-UHFFFAOYSA-N 469.102 2.226 50 10 JEGE COCCNS(=O)(=O)c1ccc(OC)c(N2CCN(C(=O)CCCCCCl)CC2)c1 22338395 DKTPVQKNRAEMLY-UHFFFAOYSA-N 462.012 2.068 50 10 JEGE COc1cccc(-c2c(C(=O)NN=Cc3ccc(SC)cc3)nnn2-c2nonc2N)c1 254482824 FJKRYVOTPVBDPW-UHFFFAOYSA-N 450.484 2.394 50 10 JEGE COc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)NCc3ccccc3)cc2)cc1 1084589232 JSRTUEVYXKYOBH-UHFFFAOYSA-N 460.490 2.479 50 10 JEGE COc1ccc(Cl)cc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1 1084607473 BHFCQLCIXVODNE-SFHVURJKSA-N 488.928 2.111 50 10 JEGE COc1ccc([C@H](C)N2C[C@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1OC 1872960807 GFIVGWXYZYRMOO-DFQSSKMNSA-N 495.580 2.390 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CBr)C[C@@H]1CCCO1 2108230536 JRTQESKJWSWBEZ-TYILLQQXSA-N 491.379 2.263 50 10 JEGE O=S(=O)(N1CCCN(Cc2ccccc2)CCOCC1)N1CCC(Br)CC1 2162211839 LBBWZSIRMMWQCX-UHFFFAOYSA-N 460.438 2.315 50 10 JEGE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H](Br)C2CCCC2)[C@H]2CS(=O)(=O)C[C@H]21 2167034515 XCVXDBJRAMULEM-RRFJBIMHSA-N 465.410 2.185 50 10 JEGE Cn1ncc(C(=O)N2CCO[C@@H]3C[C@H](CBr)C[C@@H]32)c1I 2199763413 UYDWDBJYFKHFRW-DVVUODLYSA-N 454.106 2.039 50 10 JEGE Cc1sc(CNC(=O)CNC(=O)OCC2c3ccccc3-c3ccccc32)c(B(O)O)c1C 2243684796 HCSQULHBZGHCKV-UHFFFAOYSA-N 464.352 2.200 50 10 JEGE Cc1cc(C(=O)NCCCONC(=O)OCC2c3ccccc3-c3ccccc32)sc1B(O)O 2247751959 GABKLXLAMTUKJO-UHFFFAOYSA-N 480.351 2.327 50 10 JEGE CCOc1cc(C=NNC(=O)C(=O)Nc2ccccc2OC)cc(I)c1O 1084365226 AJDQSDWMWWJHRY-UHFFFAOYSA-N 483.262 2.493 50 10 JEGE C=CCC[C@H](NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)c1ccccc1 1478257067 GNCHVWXTYKWQQC-FQEVSTJZSA-N 458.588 2.351 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N[C@H](CCBr)C(F)(F)F 1918532371 GXUOPHSRQLGHTB-GFCCVEGCSA-N 457.268 2.308 50 10 JEGE COCC[C@H](CBr)NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942089886 SFLHQXCFTXPPLI-CQSZACIVSA-N 461.378 2.172 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@]12CC[C@@](CBr)(C1)OC2 2133662610 OZLHLUAEZUWNNX-PMACEKPBSA-N 485.400 2.315 50 10 JEGE Cc1sc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)c(B(O)O)c1C 2268655841 QHNVKXIOLOXDIH-MGPUTAFESA-N 476.404 2.160 50 10 JEGE CCc1ccc(OCC(=O)NNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)c(Br)c1 13629452 QHJKIBVEEWPEQZ-CQSZACIVSA-N 464.316 2.179 50 10 JEGE N#C/C(=C\c1c(N2CCC3(CC2)OCCO3)nc2ccccn2c1=O)S(=O)(=O)c1ccccc1 34990563 BMIZNATXASTWOF-KNTRCKAVSA-N 478.530 2.376 50 10 JEGE CCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2N)cc1 58989161 SFMZDYWGIRUWHU-UFFVCSGVSA-N 486.470 2.116 50 10 JEGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)N[C@@H]3CCS(=O)(=O)C3)c(Oc3ccccc3)nc12 102846133 ZLHOOROTZYAROY-TXQCQQFXSA-N 464.503 2.006 50 10 JEGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNS(=O)(=O)c3ccccc3)cc2OC)cc1 263629777 HIYSDBRJRVXDCM-UHFFFAOYSA-N 497.529 2.352 50 10 JEGE O=S(=O)(CCCCl)Nc1c(I)ncnc1I 1260051746 XRZNCXJCVQXOJT-UHFFFAOYSA-N 487.488 2.056 50 10 JEGE CC(C)(C)OC(=O)NCCSSCCNc1cnn(CCO)c(=O)c1Br 2125301856 LMUXZDXFCNSRRR-UHFFFAOYSA-N 469.427 2.316 50 10 JEGE C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1)c1cc(B(O)O)cs1 2256626471 KJCSXEHOWKSPDA-QMTMVMCOSA-N 462.377 2.104 50 10 JEGE O=C(NC1(C(=O)NCCc2c(F)cccc2B(O)O)CC1)OCC1c2ccccc2-c2ccccc21 2341917150 DYPMVIAEZWVCPZ-UHFFFAOYSA-N 488.324 2.236 50 10 JEGE CN(C[C@@]1(Oc2ccc(C=O)c(B(O)O)c2)CCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C 2365049508 ZSRJPVVJEVKJEJ-VWLOTQADSA-N 468.359 2.069 50 10 JEGE COc1cc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc(C)c(C)c2)cc(OC)c1OC 10153859 QBQRILGIPSOSSX-AWEZNQCLSA-N 461.540 2.432 50 10 JEGE CC[C@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1 13630305 GFRPQDVFKWKEPS-GOEBONIOSA-N 458.540 2.141 50 10 JEGE Cc1cc(Br)c(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@@H]2Cl)cc1Br 157779903 SWHFFUSESCTAEM-UWVGGRQHSA-N 481.615 2.203 50 10 JEGE COc1cccc(-c2c(C(=O)NN=C(C)Cc3ccccc3OC)nnn2-c2nonc2N)c1 254800125 QYGFUNNEYNIUON-UHFFFAOYSA-N 462.470 2.265 50 10 JEGE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNc3c(C)cccc3Cl)cc2)CC1 1449705381 UMQZNMRGTSMZRV-UHFFFAOYSA-N 450.948 2.258 50 10 JEGE CC(C)(C)OC(=O)NCCN(Cc1ccccc1)c1ncc(Br)cc1B(O)O 2210067692 CXDGRWFUFFCOSO-UHFFFAOYSA-N 450.142 2.055 50 10 JEGE CCS(=O)(=O)N(CC(=O)NN=Cc1cc(OC)c(OC)c(OC)c1)c1ccc(OC)cc1 1084429635 KVIBBULJZGZBJC-UHFFFAOYSA-N 465.528 2.027 50 10 JEGE O=C(C=Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNc1c(F)c(F)cc(F)c1F 2040444740 QOOUUDFHNTXFKU-UHFFFAOYSA-N 459.421 2.420 50 10 JEGE O=C(c1ccc(I)c(O)c1)N1C[C@H]2COC[C@@H](C1)[C@H]2Br 2189069984 ZCGAUMLWGCCSCT-DDFAGTSDSA-N 452.086 2.479 50 10 JEGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)CCC(=O)Nc2ccccc2)cc1OC 2313617228 QRITUQFYQASSAD-UHFFFAOYSA-N 456.524 2.158 50 10 JEGE CC(C)(C)OC(=O)NC[C@@]1(Oc2ccc(B(O)O)cc2C#N)CCCN(Cc2ccccc2)C1 2364742894 FWRVSMGPWOLUSZ-VWLOTQADSA-N 465.359 2.176 50 10 JEGE Cc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)c3cn(C)c4ccccc34)CC2)cc1 15093026 RQBCPVCAXFIXLW-UHFFFAOYSA-N 454.552 2.349 50 10 JEGE O=C(COc1ccccc1)NNc1ncnc(N2CCN(c3ccc(F)cc3)CC2)c1[N+](=O)[O-] 40659497 ZCJKPIAHQYREDX-UHFFFAOYSA-N 467.461 2.373 50 10 JEGE COC(=O)[C@H](Br)CNS(=O)(=O)c1cc(Br)ccc1Br 300083526 FGHOKVDNZRUAMZ-MRVPVSSYSA-N 479.972 2.426 50 10 JEGE C#CCCCC(=O)NNC(=O)Nc1sc2c(c1C(=O)OCC)CCN(C(=O)OCC)C2 1466153887 KPUAMGUQNZAHRS-UHFFFAOYSA-N 450.517 2.396 50 10 JEGE Cc1ccc(B(O)O)cc1C(=O)NCCCONC(=O)OCC1c2ccccc2-c2ccccc21 2255511952 RMHJKLDXASHSDY-UHFFFAOYSA-N 474.322 2.265 50 10 JEGE COCCCNC(=O)/C(C#N)=C\c1c(N2CCN(c3ccccc3)CC2)nc2ccccn2c1=O 97464777 TYBWIAYKOGUPQK-ZZEZOPTASA-N 472.549 2.081 50 10 JEGE CC(=O)N[C@@H](C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1)c1cccc(Br)c1 1638062898 IVXOPXPSARZQDK-PIGZYNQJSA-N 452.280 2.380 50 10 JEGE C=CCOc1ccc(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 1682442315 JNHFIWCMGJHTFD-UHFFFAOYSA-N 458.540 2.180 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H]2C[C@]2(CBr)C1 1942489667 PAHSOWYCNYOGNC-KUHUBIRLSA-N 455.374 2.500 50 10 JEGE CN(C[C@H]1C[C@@H]1Br)S(=O)(=O)c1ccc(I)c(C(=O)O)c1 2196940932 PHTNRXLKWSOSIT-XCBNKYQSSA-N 474.114 2.393 50 10 JEGE CC(C)(C)OC(=O)N1CCC(NC=C(C#N)C(=O)Nc2cccc(S(=O)(=O)O)c2)CC1 2324209995 CAEVTFZGEFKXPP-UHFFFAOYSA-N 450.517 2.268 50 10 JEGE COc1ccc(OC)c(C=CC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 2325893320 NCMXMGIGBGIJQE-CQSZACIVSA-N 482.562 2.461 50 10 JEGE CC(C)(C)OC(=O)N1CCN(C2CCN(CCOCCI)CC2)CC1 2326649350 VLSJSTLSDGJQBG-UHFFFAOYSA-N 467.392 2.455 50 10 JEGE Cc1ccc(S(=O)(=O)NNc2ncnc(NNC(=O)c3ccccc3C)c2[N+](=O)[O-])cc1 40657719 VGQUYELNUBIZTJ-UHFFFAOYSA-N 457.472 2.064 50 10 JEGE CCN(CC)c1ccc(C=NNC(=O)CSc2nnc(-c3ccccc3O)n2N)c(O)c1 1084160151 LPZPCLKMHMOIJT-UHFFFAOYSA-N 455.544 2.159 50 10 JEGE Cc1ccc(Cl)cc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1 1084532473 LEWFCTDATKUBPA-IBGZPJMESA-N 472.929 2.411 50 10 JEGE COCCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc3c2CN([C@@H]2CCC(=O)NC2=O)C3=O)cc1 1866213740 AIOZVZAVHUVGJK-BRBKRDGESA-N 488.500 2.018 50 10 JEGE C#Cc1cc(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(B(O)O)c1 1887505950 DZSRSQIRBLENEK-UHFFFAOYSA-N 466.346 2.414 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CBr)CC(F)F 2000540973 HMRIZYRZEYEYQU-QLJPJBMISA-N 471.295 2.349 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H]2C[C@H]2[C@H]1CBr 2021753459 VFNNYGHYXHCFIL-IAOVAPTHSA-N 455.374 2.498 50 10 JEGE O=C(C=Cc1ccco1)NCC(=O)NN=C1C(=O)Nc2c(Br)cc(Br)cc21 2296382109 BOOZHIOISSCGHR-UHFFFAOYSA-N 496.115 2.407 50 10 JEGE CC(C)(C)OC(=O)NCCN1CCN(CCOCCI)C(C)(C)C1 2306797975 AUPLZJVBFHMYEX-UHFFFAOYSA-N 455.381 2.359 50 10 JEGE COc1ccc(OC)c(NC(=O)C(C#N)=CN2CCN(S(=O)(=O)c3ccccc3)CC2)c1 2325164875 JBZSYWQEOQYHIM-UHFFFAOYSA-N 456.524 2.056 50 10 JEGE C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)c1ccccc1I 14037891 DAVFCLNSGJGRAC-SNVBAGLBSA-N 455.208 2.428 50 10 JEGE CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)c3cn(C)c4ccccc34)CC2)cc1 24320138 ZCQXKWGQZUXDGK-UHFFFAOYSA-N 484.578 2.439 50 10 JEGE O=C(CN1CCN(C(=O)NNC(=O)c2ccncc2)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 35413627 RJBJOESFONIXNY-UHFFFAOYSA-N 484.866 2.365 50 10 JEGE O=C(Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2)s1)NN=Cc1cccc([N+](=O)[O-])c1 252606669 GUHAWHQFUYYEIK-UHFFFAOYSA-N 455.412 2.300 50 10 JEGE Cc1ccc(NCC(=O)NNC(=O)[C@H]2CCCCN2S(=O)(=O)c2cccs2)c(C)c1 728205648 WAMHEJTWAMMFCM-QGZVFWFLSA-N 450.586 2.168 50 10 JEGE COC(=O)C1CCN(C(=O)COC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)CC1 761380296 DZURURIHSPCMTH-XSFVSMFZSA-N 475.505 2.326 50 10 JEGE CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NNc3cnc4ccccc4n3)CC2)c1 1138114346 QKBWOHQMXQRQIO-UHFFFAOYSA-N 453.524 2.376 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1CBr 1910417378 VSWCBBVHFOPSPR-RCBQFDQVSA-N 455.374 2.354 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H](F)[C@H](CBr)C1 2008014326 FSMIRRHEXVMXEA-CJNGLKHVSA-N 461.353 2.448 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2C[C@H](Br)[C@H]1C2 2008058166 KEXBTBSHSFPXHG-MKXCTONWSA-N 459.337 2.198 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2CC[C@]2(CBr)C1 2078132877 LMIMQJYKYPDRPP-VMDGZTHMSA-N 473.364 2.448 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@H]2CN(S(=O)(=O)N3CCC(Br)CC3)CC[C@H]21 2106772888 PGUHQOVVMRFMDF-DZGCQCFKSA-N 452.415 2.422 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CBr)C[C@@H]1CCCO1 2108230535 JRTQESKJWSWBEZ-NJSLBKSFSA-N 491.379 2.263 50 10 JEGE CCOCCOCCOCCO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1I 2223304960 WNRRORHJBRULGZ-LSDHHAIUSA-N 473.348 2.496 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2CCO[C@]2(CBr)C1 2231356414 UXDVBBONMALEIR-JLTOFOAXSA-N 485.400 2.124 50 10 JEGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1Cc2ccc(B(O)O)cc2C1 2248415461 AOGCUXXUCKXZDF-INIZCTEOSA-N 456.307 2.136 50 10 JEGE COc1ccc(CNC(=O)CCCN(Cc2ccccc2)C(=O)OC(C)(C)C)cc1B(O)O 2278710430 UNBHFRGMZOXILZ-UHFFFAOYSA-N 456.348 2.209 50 10 JEGE O=C(NCCS(=O)(=O)CCBr)c1ccc(Cl)cc1I 2340059995 ZDESTWJTHUFUEO-UHFFFAOYSA-N 480.549 2.484 50 10 JEGE Nn1c(CCc2ccccc2)nnc1SCC(=O)N/N=C/c1cc(Br)ccc1O 58990159 ZHMDPSWCDMXGOH-SSDVNMTOSA-N 475.372 2.488 50 10 JEGE Cc1nn(-c2ccccc2)c(N(C)C)c1/C=N/Nc1nnc(S[C@@H](C)C(=O)NNC(=O)C(C)C)[nH]1 253577923 XRBPTCNTTHNDSA-GIEPYWIESA-N 498.617 2.095 50 10 JEGE CN(Cc1c(C(=O)NN=Cc2cc(F)ccc2F)nnn1-c1nonc1N)C1CCCCC1 254699723 WGQHVSXSUSXUDF-UHFFFAOYSA-N 459.461 2.039 50 10 JEGE COc1cc(C=NNC(=O)Cc2csc(N3CCOCC3)n2)ccc1OC(=O)c1ccncc1 917566307 GZIAXPZQNISXRK-UHFFFAOYSA-N 481.534 2.295 50 10 JEGE COC[C@](C)(CCBr)NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1996324103 SLWMKQPZIDMPDN-SFHVURJKSA-N 461.378 2.172 50 10 JEGE CC(C)(C)OC(=O)N1C[C@H]2CC(NS(=O)(=O)N3CCC(Br)CC3)C[C@@H]2C1 2106299899 AMHDMANJLFZIOK-CHWSQXEVSA-N 452.415 2.326 50 10 JEGE COc1cc(B(O)O)ccc1NC(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21 2248889657 TVRIZNXCGOHMRK-UHFFFAOYSA-N 460.295 2.242 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1C[C@@H](CBr)[C@@H]2C[C@H]12 2309224218 QCVLMFOOXDLKLE-YIZTYCJRSA-N 473.364 2.350 50 10 JEGE COc1ccc(C(=O)NNC(=S)NC(=O)COc2ccccc2C)cc1I 12503199 XBRJJDSZVACTBC-UHFFFAOYSA-N 499.330 2.323 50 10 JEGE N#C/C(=C\c1c(N2CCC3(CC2)OCCO3)nc2ccccn2c1=O)C(=O)NCc1ccccc1 34990531 AJCHOGSJKNJSNF-CAPFRKAQSA-N 471.517 2.261 50 10 JEGE CN(CCN(CC(F)(F)F)S(=O)(=O)CI)C(=O)OC(C)(C)C 1910136138 OKWZGDYABUEQRG-UHFFFAOYSA-N 460.256 2.440 50 10 JEGE CN(C[C@H]1C[C@@H](Br)C1)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O 2197731955 FZCDPFWUOJLVGG-MJBXVCDLSA-N 467.426 2.431 50 10 JEGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CC[C@@H](Br)C[C@H]1C(F)(F)F 2299694977 AUBRMBNVPJHVKW-MFKMUULPSA-N 469.279 2.403 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCCN(CCCBr)CC1 2340838201 ZNJFTFRXJDVXMF-UHFFFAOYSA-N 486.432 2.185 50 10 JEGE COCCOc1ccc(Br)cc1C(=O)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 13623263 WVUKRTVAAMIJLB-MRXNPFEDSA-N 490.354 2.284 50 10 JEGE C=CCn1c(SCC(=O)NN/C=C2\C=CC(=O)C=C2O)nnc1-c1cccc([N+](=O)[O-])c1 136000062 AEXSCRGQQJQMTR-SDNWHVSQSA-N 454.468 2.217 50 10 JEGE CC(C)CNC(=O)/C(C#N)=C/N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(N(C)C)cc1 254309248 NDQMUIYPDOLYEX-LPGOIDHKSA-N 461.613 2.007 50 10 JEGE CC(=O)N1CCC[C@@H](CNC(=O)NNC(=O)COc2ccc(OCc3ccccc3)cc2)C1 1478569555 UJAJRGBDAPOGSL-FQEVSTJZSA-N 454.527 2.233 50 10 JEGE O=C(c1cc(I)ccc1O)N1C[C@@H]2[C@H](CBr)CO[C@H]2C1 2178083561 SNXUWYNDDJHSDF-DYLAAIIWSA-N 452.086 2.479 50 10 JEGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)c1nscc1B(O)O 2301721993 FBCRTXMAJPCZIQ-LHSJRXKWSA-N 479.367 2.317 50 10 JEGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@H]2COC[C@@]2(CBr)C1 2364015220 NMSIWOVMHFGBOE-JVXZTZIISA-N 471.975 2.429 50 10 JEGE O=C(CC[C@@H](O)c1ccccc1)N/N=C/[C@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O 103779796 UGPUPONUHBMYRJ-CKGAZFRFSA-N 458.927 2.320 50 10 JEGE Cn1cc(C(=O)NN=CC2=C(N3CCOCC3)/C(=C/c3ccc([N+](=O)[O-])cc3)CC2)ccc1=O 254793602 SHROIUXTOSXMGU-PKTFGXERSA-N 463.494 2.473 50 10 JEGE CN(C)[C@H]1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1Br 2338850790 VACNJHZJQVBEAY-ROUUACIJSA-N 486.432 2.182 50 10 JEGE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)c3cn(C)c4ccccc34)CC2)cc1 10736492 YWTXKFRQSHJLQV-UHFFFAOYSA-N 482.562 2.243 50 10 JEGE COc1cccc(/C=N/Nc2n[nH]c(SCC(=O)NNC(=O)c3ccc(Cl)cc3)n2)c1 20923240 UXYQMWIVQAWERV-UFFVCSGVSA-N 459.919 2.466 50 10 JEGE CCN(/C=C(/C#N)C(=O)Nc1ccc(I)cc1C)[C@H]1CCS(=O)(=O)C1 217254098 WGIIIVDHFMJMRC-WVUXNXBLSA-N 473.336 2.455 50 10 JEGE CN1CCN(CN2C(=O)C(=NNC(=O)CSc3nc4ccccc4s3)c3ccccc32)CC1 254510599 FSHHEEAEUFTIBX-UHFFFAOYSA-N 480.619 2.460 50 10 JEGE CCOC(=O)c1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)NCc3ccco3)cc2)cc1 1083932420 WRTXGNBNKWZZBH-UHFFFAOYSA-N 492.488 2.240 50 10 JEGE Cc1c(C(=O)NNC(=O)COc2ccccc2)oc2c1C(=NNC(=O)c1cccnc1)CCC2 1772745560 FCBBJUJCAAASRK-UHFFFAOYSA-N 461.478 2.293 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H]2OC[C@@H](CBr)[C@@H]2C1 2121588679 SGILMGCDZGFQLT-JLSDUUJJSA-N 485.400 2.124 50 10 JEGE CCOc1ccc(C=CC(=O)NNC(=O)Cn2cnc3sc(C)c(C)c3c2=O)cc1OC 2325885567 FQVNSRDPXIUSRZ-UHFFFAOYSA-N 456.524 2.343 50 10 JEGE CC(C)(C)c1ccc(C(=O)NNS(=O)(=O)c2ccc(N3CCCS3(=O)=O)cc2)cc1 726764158 BCIFPNQGEXVWFD-UHFFFAOYSA-N 451.570 2.147 50 10 JEGE COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NNc2ccc(F)c(F)c2F)CC1 727759560 DXJCCYVBGXWDIX-UHFFFAOYSA-N 471.457 2.435 50 10 JEGE CC[C@@H](C)[C@@H](CI)NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O 1900341273 KBYUEENFSLEROY-BXUZGUMPSA-N 464.325 2.052 50 10 JEGE CC(C)(C)OC(=O)N1C[C@H]2C[C@H](NS(=O)(=O)N3CCC(Br)CC3)C[C@H]1C2 2106305016 LBYTWQXRODRZKR-AEGPPILISA-N 452.415 2.468 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCO[C@@H]2C[C@H](Br)C[C@H]21 2128873386 XWAXSZWMAWOGKI-ZTFGCOKTSA-N 485.400 2.409 50 10 JEGE CN(C)S(=O)(=O)C[C@@H](NCCSSCCNC(=O)OC(C)(C)C)C(F)(F)F 2181747539 DYWMPILEWPWLQB-LLVKDONJSA-N 455.590 2.304 50 10 JEGE CN(C)[C@@H]1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@H]1Br 2338850789 VACNJHZJQVBEAY-QZTJIDSGSA-N 486.432 2.182 50 10 JEGE O=C(NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1Br 13623415 TVFGFAHVKYNAFP-CQSZACIVSA-N 475.368 2.133 50 10 JEGE C[C@@H](Sc1n[nH]c(N/N=C/c2cc(Br)ccc2O)n1)C(=O)NNC(=O)C1CCC1 59879547 CKUGLAWQRCKELO-HURAESQDSA-N 482.364 2.147 50 10 JEGE CC(C)(C)[C@@H]1CCc2sc(C(=O)NNC(=O)NCCCN3CCCS3(=O)=O)cc2C1 726276729 LWMYQBOWSONSSH-OAHLLOKOSA-N 456.634 2.269 50 10 JEGE O=C(NNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1cccc(OC(F)F)c1 728487918 DXPWQSWCHLELCI-UHFFFAOYSA-N 453.467 2.150 50 10 JEGE O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21)NNC(=O)c1cc(F)ccc1Br 728546645 DSOHQSSOIIEDSN-IPYPFGDCSA-N 459.341 2.075 50 10 JEGE CC[C@@H](C)NC(=O)CN1CCN(C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)CC1 920447337 GMFDHSGNPCLIHO-SUNMQZQPSA-N 473.581 2.430 50 10 JEGE CN(C)c1ccc(C=NNc2nc(SCC(=O)NNC(=O)c3ccc(F)cc3)n[nH]2)cc1 1084245768 QDKFVVNDQUIRKN-UHFFFAOYSA-N 456.507 2.009 50 10 JEGE CCN(CC)c1c(C=NNc2nc(S[C@@H](C)C(=O)NNC(C)=O)n[nH]2)c(C)nn1-c1ccccc1 1084443812 LHVWDCXVEQCFPL-HNNXBMFYSA-N 498.617 2.239 50 10 JEGE C#CCSCC(=O)NNC(=O)CCN1CCN(C(c2ccccc2)c2ccccc2)CC1 1587207060 WXKHCBJJKOATQZ-UHFFFAOYSA-N 450.608 2.298 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NCC1(F)CC(CBr)C1 2003049819 BSOAVGRXSAUEPG-UHFFFAOYSA-N 461.353 2.495 50 10 JEGE CC(C)(C)OC(=O)N1CC2(C1)CS(=O)(=O)CCN2CC1(CBr)CC(F)C1 2265638783 OBAKSFOOUGUYJW-UHFFFAOYSA-N 455.390 2.220 50 10 JEGE CN(C)[C@H]1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@H]1Br 2338850788 VACNJHZJQVBEAY-MSOLQXFVSA-N 486.432 2.182 50 10 JEGE CN(NC(=O)c1ccc(I)c(Br)c1)S(=O)(=O)C1CC1 2339717038 MVCUGWQZLZLOCZ-UHFFFAOYSA-N 459.103 2.123 50 10 JEGE COc1ccc(CC(=O)NC(=S)NNC(=O)COc2ccc(C)cc2Br)cc1 12503622 MLTQOGBMRKHZJE-UHFFFAOYSA-N 466.357 2.410 50 10 JEGE Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1/C(=N/NC(=O)c1cccnc1)CCC2 101605371 PVWIRPLSJIOJDN-KOEQRZSOSA-N 476.449 2.436 50 10 JEGE O=C(NCCCN1CCCS1(=O)=O)NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1 726276398 DQDHNTACBVLQTN-UHFFFAOYSA-N 480.974 2.289 50 10 JEGE CCOc1ccc(C=NNC(=O)CSc2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2N)cc1 1083986965 SFMZDYWGIRUWHU-UHFFFAOYSA-N 486.470 2.116 50 10 JEGE O=S(=O)(c1cnn(CCBr)c1)N1C[C@H]2C[C@@H](CN(Cc3ccccc3)C2)C1 2179816892 UULSSTJYRNRPDO-ROUUACIJSA-N 453.406 2.421 50 10 JEGE COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C)cc2Br)cc1 12502828 SJLOSHPUPQVUNH-UHFFFAOYSA-N 452.330 2.481 50 10 JEGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OC)c(Br)c2)cc1 14657212 YFVCPNACZBWZEH-UHFFFAOYSA-N 482.356 2.432 50 10 JEGE Cc1ccc(C(=O)NNc2ncnc(NNC(=O)c3ccc([N+](=O)[O-])cc3)c2[N+](=O)[O-])cc1 40657427 XXEARALSVFCMAN-UHFFFAOYSA-N 452.387 2.115 50 10 JEGE Cc1nn(-c2ccccc2)c(N(C)C)c1/C=N/Nc1nnc(SCC(=O)NNC(=O)C(C)(C)C)[nH]1 253568985 LXDRBUHNJJHZCS-FSJBWODESA-N 498.617 2.096 50 10 JEGE CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNc3ccc(F)c(F)c3F)CC2)o1 727759843 CGAUBUOCKVZUEK-UHFFFAOYSA-N 475.445 2.418 50 10 JEGE CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1)O[C@H](C)C2 730473049 HOPARDRKPBPGCA-FMEYXAORSA-N 458.536 2.377 50 10 JEGE COc1ccc(OCc2ccc(C=NNc3nc(S[C@@H](C)C(=O)NNC(C)=O)n[nH]3)o2)cc1 1084164141 FWUUURBVHFWNIX-LBPRGKRZSA-N 473.515 2.079 50 10 JEGE O=C(CSc1n[nH]c(NN=Cc2cccc(Br)c2)n1)NNC(=O)C1CCC1 1084353153 FBRYMLBPWNOGHX-UHFFFAOYSA-N 452.338 2.053 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@H]1C[C@@H](Br)CCO1 2036676806 PENAZELEBSXKID-LSDHHAIUSA-N 473.389 2.315 50 10 JEGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2c(N3CCC(C(N)=O)CC3)nc3c(C)cccn3c2=O)cc1 2296849573 WHOALMSTRMKUNK-UHFFFAOYSA-N 491.573 2.351 50 10 JEGE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(S(=O)(=O)NNC(=O)CCOc3ccccc3)cc2)C1 728262616 HSASOLXTZMXZLK-HDICACEKSA-N 495.623 2.132 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N[C@H](CBr)CC1CCOCC1 2074905491 IOKVERLTDLFETH-HNNXBMFYSA-N 473.389 2.172 50 10 JEGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)N[C@H]3CCS(=O)(=O)C3)c(Oc3ccccc3F)nc12 2296721727 IRPKWNNGCZKMFR-INIZCTEOSA-N 482.493 2.145 50 10 JEGE O=C(CC[C@H](O)c1ccccc1)NN=C[C@@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O 1084342455 UGPUPONUHBMYRJ-SJORKVTESA-N 458.927 2.320 50 10 JEGE CCc1cccc(CC)c1N1C[C@H](C(=O)NNC(=O)Cn2cnc3sc(C)c(C)c3c2=O)CC1=O 1865851469 CGVLVYANWXHPCT-GOSISDBHSA-N 495.605 2.400 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NC[C@@H](CBr)C(F)(F)F 1977239982 LBSDFGUEHBHARI-SNVBAGLBSA-N 457.268 2.166 50 10 JEGE CC1([C@H](CBr)NS(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2000536792 ABYKCGDUKAOUAL-KBXCAEBGSA-N 461.353 2.494 50 10 JEGE CO[C@@H]1C[C@H](Br)CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 2046665884 WLYKJJVQUYGWMV-UONOGXRCSA-N 473.389 2.123 50 10 JEGE C[C@H](NC(=O)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)c1ccc(B(O)O)cc1 2268681851 XGZGDWZOJYBRQH-UWJYYQICSA-N 456.348 2.044 50 10 JEGE O=C(O)c1cc(S(=O)(=O)N[C@H]2C[C@H](Br)C2)ccc1I 2277775298 HQQSWABZRVDJHB-LJGSYFOKSA-N 460.087 2.194 50 10 JEGE Cc1cc(B(O)O)c(F)c(C(=O)NCC2(N(Cc3ccccc3)Cc3ccccc3)COC2)c1 2282455488 YBXJULUEAWUVQR-UHFFFAOYSA-N 462.330 2.015 50 10 JEGE CN(C)c1ccc(N2C(=NC=C(C#N)C(=O)NCc3ccco3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 2296590783 YKPRLWIICIYNIW-UXHICEINSA-N 485.591 2.144 50 10 JEGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)CCN1C(=O)c2ccccc2C1=O 2314795748 MQHACSJMLLSJSZ-UHFFFAOYSA-N 489.484 2.053 50 10 JEGE Cc1ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc2ccccc2)c(F)c1B(O)O 2352964513 IYYQVAAFMGKLEI-FOIQADDNSA-N 460.311 2.251 50 10 JEGE COc1ccc(C(=O)NNc2ncnc(NNC(=O)c3ccccc3Br)c2N)cc1 101568861 JKGPOSHLQMWGOW-UHFFFAOYSA-N 472.303 2.344 50 10 JEGE CCOc1c(Cl)cc(/C=N\NC(=O)c2cc(C)nn2-c2nnc(C)c(=O)[nH]2)cc1Cl 169921369 MGYQEZHOFWKOGF-WNFQYIGGSA-N 450.286 2.437 50 10 JEGE C[C@H](NC(=O)/C(C#N)=C\N(CCN(C)C)[C@H]1CCS(=O)(=O)C1)C12CC3CC(CC(C3)C1)C2 243253246 KQXQFYQAQXQWTN-OFVSLJOUSA-N 462.660 2.166 50 10 JEGE O=C(COc1ccc(C=NNC(=O)C(=O)NC2CCCCC2)cc1)NCCc1ccccc1 254617475 QUAJBNRXBWJHCF-UHFFFAOYSA-N 450.539 2.323 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)N2CCC(Br)CC2)[C@H]2CC[C@H]21 2121238404 UDTHEDNZYRFANI-QLFBSQMISA-N 452.415 2.468 50 10 JEGE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](NS(=O)(=O)c3ccc(CBr)cc3)CO[C@H]2C1 2178138660 ZEVKIYKPADDCLR-JYJNAYRXSA-N 461.378 2.494 50 10 JEGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1cnc(B(O)O)s1 2257377084 AJZIBBHXUDQBJM-JOCHJYFZSA-N 493.394 2.393 50 10 JEGE CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)/C(C#N)=C/c2ccc3c(c2)OCO3)c1 9443920 FMYRZLRULHVFFA-VGOFMYFVSA-N 491.909 2.408 50 10 JEGE COc1cc(/C=C(/C#N)C(=O)N2CCN(C(=O)/C(C#N)=C/c3ccc(O)c(OC)c3)CC2)ccc1O 102622168 BVGALEGMDPHFBN-UHWBUFEVSA-N 488.500 2.300 50 10 JEGE N=C1O[C@@H](c2ccc([N+](=O)[O-])cc2)C(=NNC(=O)c2ccncc2)C1=NNC(=O)c1ccncc1 254344350 WGIXMWVPVZQETH-IBGZPJMESA-N 472.421 2.005 50 10 JEGE O=C(c1cc(I)ccc1O)N1CCN2C[C@@H](Br)C[C@H]2C1 405290039 ZPGJNKHJZNCSQV-ONGXEEELSA-N 451.102 2.290 50 10 JEGE O=C(NNC(=O)N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1)c1ccc(-n2cnnn2)cc1 727473664 OLUMRKKUSHYLDI-IBGZPJMESA-N 480.916 2.118 50 10 JEGE CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)OCC(=O)NNC(=O)Cc1nc(C)cs1)O[C@@H](C)C2 730648694 AIPINVRMGGQKJM-JLJPHGGASA-N 473.551 2.210 50 10 JEGE C#Cc1cccc(NC(=S)NNC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 1471691819 VCHGRPXTAITSDS-UHFFFAOYSA-N 459.549 2.011 50 10 JEGE O=C(CCNC(=O)OCC1c2ccccc2-c2ccccc21)NCc1ccc(B(O)O)cc1F 2248958297 CHUGEMMMMKPFPE-UHFFFAOYSA-N 462.286 2.051 50 10 JEGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NS(=O)(=O)N2CCC(Cl)CC2)C1 2259380246 FJINFMRJDKXWSL-UHFFFAOYSA-N 497.058 2.380 50 10 JEGE Cc1cc(B(O)O)c(CN(C)C(=O)C[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)s1 2268708290 ZCRCCRYXVMGHFP-GOSISDBHSA-N 476.404 2.195 50 10 JEGE Cn1cc(C(=O)NNC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)c2ccccc21 10737029 QMJNRQIISLHBSA-UHFFFAOYSA-N 454.552 2.187 50 10 JEGE CCCOc1ccc(-c2c(C(=O)NN=Cc3ccc(OC)cc3)nnn2-c2nonc2N)cc1 13147064 MGUQKBPSRZJMHA-UHFFFAOYSA-N 462.470 2.461 50 10 JEGE aggregator COc1ccc(/C=N/Nc2n[nH]c(SCC(=O)NNC(=O)c3ccc(Cl)cc3)n2)cc1 20923229 XHSDDFQOQAAZKJ-UFFVCSGVSA-N 459.919 2.466 50 10 JEGE N#C/C(=C/c1c(Oc2ccc(Cl)cc2)nc2ccccn2c1=O)C(=O)N[C@@H]1CCS(=O)(=O)C1 33898124 SDZAEHWDPUCKMR-SYCZXOQXSA-N 484.921 2.350 50 10 JEGE Cn1cc(C(=O)NNS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c2ccccc21 731178860 ULPFYTMLLOCEJV-UHFFFAOYSA-N 453.274 2.472 50 10 JEGE CC(=NNC(=O)[C@@H]1Cc2ccccc2O1)c1ccc(S(=O)(=O)N2CCC(C(=O)O)CC2)cc1 748148534 ORCYZKYHHJRSLN-NRFANRHFSA-N 471.535 2.016 50 10 JEGE C=CC(=O)Nc1cccc(C(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)c1 1587985571 ICHXDYDLIRZHDF-UHFFFAOYSA-N 455.946 2.043 50 10 JEGE CC(=O)N1CCN(c2ccc(C(=O)NNc3ncccc3C(F)(F)F)cc2[N+](=O)[O-])CC1 1610930208 WXWSGDFNCWINOZ-UHFFFAOYSA-N 452.393 2.434 50 10 JEGE C#Cc1cccc(NC(=S)NNC(=O)c2cc(C(C)C)nc3c2c(O)nc(=O)n3CC)c1 1633773530 IYHXVKAOTOSJBY-UHFFFAOYSA-N 450.524 2.253 50 10 JEGE COc1ccc(CCC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1OC 1860769862 JWXRLFMIOAEDHW-CQSZACIVSA-N 484.578 2.380 50 10 JEGE O=C(N[C@@H]1COCC[C@@H]1NS(=O)(=O)CCC(CCl)CCl)OCc1ccccc1 2044259143 YPOIBIPPYQJOBK-DLBZAZTESA-N 453.388 2.474 50 10 JEGE O=C(NCCNC(=O)c1c(Cl)cccc1B(O)O)OCC1c2ccccc2-c2ccccc21 2243359076 OKRBSZJDAJPLPW-UHFFFAOYSA-N 464.714 2.288 50 10 JEGE Cc1sc(C(=O)NCCNC(=O)OCC2c3ccccc3-c3ccccc32)c(B(O)O)c1C 2243413528 IAYBXBCYHPEAQE-UHFFFAOYSA-N 464.352 2.313 50 10 JEGE CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)C(=O)c2cc(F)c(B(O)O)cc2Cl)C1 2256016666 LZNZGPKAOCWKTC-UHFFFAOYSA-N 462.714 2.421 50 10 JEGE Cc1cc(B(O)O)c(CN(C)C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)s1 2268655010 GVDBDOKUVPAJSW-JXFKEZNVSA-N 476.404 2.193 50 10 JEGE Cc1cc(B(O)O)c(C(=O)N2CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC2)cc1Cl 2282251351 KRCBBQHGILATRK-UHFFFAOYSA-N 497.785 2.173 50 10 JEGE Cc1ccc(N2C(=O)[C@H](/C=N/NC(=O)CC[C@H](O)c3ccccc3)C(=O)NC2=S)cc1C 103779780 BJMWVUCVEIUKDT-QUAIWURQSA-N 452.536 2.283 50 10 JEGE N#C/C(=C/N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(F)cc1)C(=O)NCc1ccco1 254554930 KAUAVNXJOQEGNM-NTVWVEQLSA-N 474.539 2.213 50 10 JEGE COc1cccc(C=NNc2nc(SCC(=O)NNC(=O)c3ccc(Cl)cc3)n[nH]2)c1 1083936852 UXYQMWIVQAWERV-UHFFFAOYSA-N 459.919 2.466 50 10 JEGE CCOc1cc(C=NNC(=O)C(=O)NCCc2ccccc2)cc(I)c1O 1084286220 SKPNZTAUEXDVOA-UHFFFAOYSA-N 481.290 2.205 50 10 JEGE C[C@@H]1CN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@H](CCBr)O1 2122787402 DIZJCUVKGOSBDE-TYILLQQXSA-N 491.379 2.215 50 10 JEGE O=C(c1ccc(I)c(O)c1)N1C[C@@H]2COC[C@@]2(CBr)C1 2234579923 LKACQJQPHKXWEW-QMTHXVAHSA-N 452.086 2.480 50 10 JEGE CC(C)CNC(=O)C(C#N)=CN=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(N(C)C)cc1 2296571258 NDQMUIYPDOLYEX-RBUKOAKNSA-N 461.613 2.007 50 10 JEGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)Nc1ccc(C(F)(F)F)c(B(O)O)c1 2370122343 IALPCFVPFXENAN-SFHVURJKSA-N 482.264 2.434 50 10 JEGE Cc1ccc(C(=O)NNc2ncnc(NNC(=O)Cc3ccc([N+](=O)[O-])cc3)c2[N+](=O)[O-])cc1 40657457 YNHMEMSXRIVBDU-UHFFFAOYSA-N 466.414 2.044 50 10 JEGE O=C(NNc1ncnc(NNC(=O)c2ccccc2Cl)c1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 40658271 GAMVYVBUAKWYGA-UHFFFAOYSA-N 472.805 2.460 50 10 JEGE COCCOCCOCCO[C@@](C)(CI)CNC(=O)OC(C)(C)C 303742289 YVYIMGXUBPGTLH-INIZCTEOSA-N 461.337 2.401 50 10 JEGE O=C(O)c1cc(Br)cc(S(=O)(=O)NNC(=O)c2cccc3cccnc23)c1F 728506271 IGCNLSPXFOZBMR-UHFFFAOYSA-N 468.260 2.458 50 10 JEGE COc1ccc(C(C)=NNc2nc(S[C@@H](C)C(=O)NNC(=O)C3CCC3)n[nH]2)cc1OC 1083966481 WGTQZIKUWCWCDU-LBPRGKRZSA-N 461.548 2.086 50 10 JEGE O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1)c1cc(Br)c[nH]1 1087479650 FYZAJPOIWSBYFC-SECBINFHSA-N 470.121 2.354 50 10 JEGE COc1ccc(OC)c(/C=C/C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1 1860769955 NCMXMGIGBGIJQE-KVEVGEHQSA-N 482.562 2.461 50 10 JEGE O=C(Cc1ccc(Br)cc1)NNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 1860771380 UFNYAGHMEQAGPQ-UHFFFAOYSA-N 475.368 2.489 50 10 JEGE C[C@@H]1CCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)[C@H]1CBr 2000539641 BMXFCGAEVONAMM-MRAWALMUSA-N 461.353 2.446 50 10 JEGE CC(C)(C)OC(=O)N[C@H]1CN(S(=O)(=O)N2CCC(Br)CC2)C[C@@H]1C(F)F 2106776143 FDMRGWASVZMMOO-RYUDHWBXSA-N 462.357 2.181 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Cl)C[C@@]2(CCCO2)C1 2164515049 PXGCQYUKEUBUJQ-UAOJZALGSA-N 458.939 2.203 50 10 JEGE C[C@H](NC(=O)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)c1cscc1B(O)O 2256642394 YUJLTGAHTKAGLI-RDJZCZTQSA-N 462.377 2.105 50 10 JEGE Cc1sc(CNC(=O)C[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)c(B(O)O)c1C 2268613377 SDFRCPPXQPWOND-SFHVURJKSA-N 476.404 2.161 50 10 JEGE CN(CC1(Oc2ncccc2B(O)O)CCN(Cc2ccccc2)CC1)C(=O)OC(C)(C)C 2270900209 QKYNGIIGMLAARU-UHFFFAOYSA-N 455.364 2.042 50 10 JEGE CCCOC(=O)c1ccc(OCC(=O)NNC(=O)CCC(=O)OCCc2ccccc2)cc1 14021698 OKIJEFYEAMKCMV-UHFFFAOYSA-N 456.495 2.346 50 10 JEGE Cc1nn(-c2ccccc2)c(N(C)C)c1C=NNc1nc(SCC(=O)NNC(=O)C(C)(C)C)n[nH]1 1084517819 LXDRBUHNJJHZCS-UHFFFAOYSA-N 498.617 2.096 50 10 JEGE CC(C)(C)OC(=O)N1CCN(CCNS(=O)(=O)c2ccc(CBr)cc2)CC1 1260510889 VVQQFLTWHLGAIZ-UHFFFAOYSA-N 462.410 2.413 50 10 JEGE CC(=O)N[C@@H](C(=O)NNC(=O)c1cc(Br)c[nH]1)c1cccc(Br)c1 1290350428 DPCMUUALFHETKY-CYBMUJFWSA-N 458.110 2.178 50 10 JEGE CC(C)(C)OC(=O)N1CCC12CCS(=O)(=NS(=O)(=O)CI)CC2 1983327741 PSZVXKYJVGDGOQ-UHFFFAOYSA-N 478.374 2.350 50 10 JEGE CN(C[C@H]1C[C@@H](Br)C1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2020200724 GDPHOGBLTXQCNH-JCGVRSQUSA-N 461.353 2.446 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H]1COC2(CCC2)[C@@H]1Br 2141552962 DNSAIHJCWFKQLV-IAGOWNOFSA-N 485.400 2.457 50 10 JEGE O=S(=O)(c1ccc(CBr)cn1)N1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 2179810939 IBSZZRBDDOKFQZ-ROUUACIJSA-N 452.374 2.250 50 10 JEGE CN(C[C@@H]1C[C@@H]1Br)S(=O)(=O)c1ccc(I)c(C(=O)O)c1 2196940933 PHTNRXLKWSOSIT-XVKPBYJWSA-N 474.114 2.393 50 10 JEGE C[C@H](NC(=O)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1)c1cscc1B(O)O 2268793400 KCMXQBKEEDBRHW-INIZCTEOSA-N 474.388 2.059 50 10 JEGE CN(C[C@@]1(Oc2cc(B(O)O)ccn2)CCCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C 2270915287 VKLVWUQVVSNEHG-DEOSSOPVSA-N 455.364 2.042 50 10 JEGE CN(C[C@@]1(O)CCCN(Cc2ccccc2)C1)S(=O)(=O)N1CCC(Br)CC1 2286348578 KEAYAIRBYPMBGP-IBGZPJMESA-N 460.438 2.049 50 10 JEGE COC(=O)c1cc(Nc2ncnc(NNC(=O)c3ccccc3F)c2N)cc(C(=O)OC)c1 40705808 MKSKQPGRNFGKQJ-UHFFFAOYSA-N 454.418 2.272 50 10 JEGE CCN(CC)c1ccc(/C=N/NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2N)c(O)c1 58991824 XEVHGSYSCBASEI-FSJBWODESA-N 484.542 2.361 50 10 JEGE CC(C)[C@H](CI)NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 703989343 HWWBXIKECSLKCY-AWEZNQCLSA-N 464.325 2.052 50 10 JEGE CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NNC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)C1 769659914 MJMQDCAPZDEDBM-INIZCTEOSA-N 488.566 2.143 50 10 JEGE CCOC(=O)C=CC(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 2313607110 DEHMFLFUQFAWMZ-UHFFFAOYSA-N 454.508 2.002 50 10 JEGE Cc1cccc(C)c1OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCc1ccccc1 14011405 DLRRFQBPROPGPO-UHFFFAOYSA-N 457.552 2.270 50 10 JEGE COCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1cccc([N+](=O)[O-])c1 14662983 XSPKYRWUJCYJRB-UHFFFAOYSA-N 497.327 2.332 50 10 JEGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1sccc1B(O)O 2243666080 YRFVYMOYXLMVTQ-OAHLLOKOSA-N 464.352 2.314 50 10 JEGE O=C(CCCNC(=O)OCC1c2ccccc2-c2ccccc21)NCCc1ccc(B(O)O)cc1 2257400637 LAQSZBZFGSPQKB-UHFFFAOYSA-N 472.350 2.344 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2OCC[C@@]2(CBr)C1 2278886267 CXDCOZLYWPGNKO-OXJNMPFZSA-N 485.400 2.124 50 10 JEGE COc1ccc(N2CCN(c3ncnc(NNC(=O)c4ccccc4[N+](=O)[O-])c3[N+](=O)[O-])CC2)cc1 40611225 TWAPYIRDINASIQ-UHFFFAOYSA-N 494.468 2.385 50 10 JEGE O=C1NCCC[C@@H]1C(=O)N/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 59165389 NRWUOURVFGCHKD-UCXBAENPSA-N 473.302 2.482 50 10 JEGE C=CCNS(=O)(=O)c1ccc(CC(=O)NNc2ncccc2C(=O)OC(C)(C)C)s1 1454618619 YJUKZDRAGGMWQP-UHFFFAOYSA-N 452.558 2.249 50 10 JEGE CC(=O)N1CCN(Cc2ccccc2NC(=O)NNC(=O)COc2cc(C)cc(C)c2)CC1 1476422118 BFGJZEOPIUXQLY-UHFFFAOYSA-N 453.543 2.199 50 10 JEGE O=C(NS(=O)(=O)c1ccc(CNC(=O)C(F)(F)F)cc1)Oc1ccc([N+](=O)[O-])cc1F 1858957959 AMYTTWDGKAIKOO-UHFFFAOYSA-N 465.337 2.390 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H]2C[C@@H](Br)C[C@H]2C1 2012875951 BSTXXGGDKQXGOR-QDMKHBRRSA-N 455.374 2.498 50 10 JEGE Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(CC(=O)C(C#N)=C3NN=C4CCCCCN43)CC2)c1C 2040482699 WFOREPFTLAVPFD-UHFFFAOYSA-N 498.653 2.324 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCO[C@@H]2C[C@@H](Br)C[C@H]21 2128873383 XWAXSZWMAWOGKI-BMGDILEWSA-N 485.400 2.409 50 10 JEGE CC(C)(C)OC(=O)NCC1(Nc2cc(B(O)O)c(Cl)cn2)CCN(Cc2ccccc2)CC1 2277609697 GPHJZVBUHCRBMW-UHFFFAOYSA-N 474.798 2.386 50 10 JEGE O=C(C=Cc1ccc(Cl)cc1)NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 2314109221 QBXMBMZKCZQCSI-QGZVFWFLSA-N 456.955 2.424 50 10 JEGE Cc1ccc(/C=N/NC(=O)CCCSc2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2N)o1 58990642 UCNWDBBXVNJXQC-KEBDBYFISA-N 474.459 2.399 50 10 JEGE O=S1(=O)CC[C@@H](C(CBr)(CBr)C[C@H]2CCCS2(=O)=O)C1 822170849 JNRUISFDUGEYCR-GHMZBOCLSA-N 452.230 2.165 50 10 JEGE C=CCNS(=O)(=O)c1ccc(C(=O)NNc2nc(-c3ccccn3)nc3c2CCC3)cc1 1306560643 MHYUXMMWSTTXFQ-UHFFFAOYSA-N 450.524 2.249 50 10 JEGE C=C(C)[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(OC)cc2)c1 1618282142 AGFWGYGRGWTXID-PMACEKPBSA-N 459.524 2.238 50 10 JEGE CC1(C)CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C[C@H](CBr)O1 2029232391 IEKCFIDEAMIVBL-AWEZNQCLSA-N 473.389 2.267 50 10 JEGE O=C(N[C@H]1CS(=O)(=O)C[C@H]1Br)c1ccc(Cl)c(I)c1 2268356668 HIXVZMUJJKTKDF-XCBNKYQSSA-N 478.533 2.235 50 10 JEGE CCOc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)COc2ccc(CC)cc2)cc1 13976805 LQMOWADCSBOMSU-UHFFFAOYSA-N 472.567 2.467 50 10 JEGE Nn1c(SCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)nnc1-c1ccccc1Br 58988158 LAIBJAQEDHPNMK-DNTJNYDQSA-N 492.315 2.278 50 10 JEGE CCOc1ccc(C)cc1[C@H](C)NC(=O)/C(C#N)=C\N(CCN(C)C)[C@@H]1CCS(=O)(=O)C1 217185866 IMHFPKIVENXGTP-YMKLCQLYSA-N 462.616 2.029 50 10 JEGE CCOc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN(C)c2ccccc2)cc1 254627156 PBSLCBYSNHJHCP-UHFFFAOYSA-N 461.486 2.032 50 10 JEGE O=C(c1ccc(I)c(O)c1)N1CCN2C[C@H](Br)C[C@@H]2C1 405290620 ZUIVVWOWUXWYGY-GHMZBOCLSA-N 451.102 2.290 50 10 JEGE Cc1nc(O)nc(O)c1CCc1nnc(SCC(=O)C(C#N)=C2Nc3ccccc3N2)o1 585190946 AUGZUHFVCIJBEL-UHFFFAOYSA-N 451.468 2.298 50 10 JEGE COc1cc(C=NNC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)cc(OC)c1OC 1084480680 BIFFVRXLLCZYJZ-UHFFFAOYSA-N 484.534 2.453 50 10 JEGE COc1ccc(N2C[C@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)c(C)c1 1872961528 KYRWNKBTOCLZAO-ZWKOTPCHSA-N 451.527 2.133 50 10 JEGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(CCc3c[nH]c4ccccc34)C2)C1 1872962611 UYIJNXMAUDGNLE-PMACEKPBSA-N 474.565 2.336 50 10 JEGE CC(C)(C)OC(=O)NC[C@H]1CC[S@@](=O)(=NS(=O)(=O)CI)C1(C)C 1983332987 CNWHNIDGDQOAQO-STFLBKPXSA-N 480.390 2.500 50 10 JEGE Cn1cc(S(=O)(=O)N(Cc2ccccc2)CC2(O)CN(C(=O)OC(C)(C)C)C2)c(CCl)n1 2059434592 ZELYBDSLWJHTQI-UHFFFAOYSA-N 485.006 2.332 50 10 JEGE O=C(Cc1cnn(Cc2ccccc2)c1)NCC1(CBr)CCS(=O)(=O)CC1 2199818013 UMWDQOQJOLELCB-UHFFFAOYSA-N 454.390 2.180 50 10 JEGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@H]2COC[C@@H](C1)[C@H]2Br 2364030173 XORSZWLQRGURFS-RNLVFQAGSA-N 471.975 2.427 50 10 JEGE C=CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)[C@H](C)Nc2nc3ccccc3s2)cc1 9856817 SADMVKXPQMNAKQ-ZDUSSCGKSA-N 459.553 2.022 50 10 JEGE COC(=O)c1cc(Nc2ncnc(NNC(=O)c3ccccc3C)c2N)cc(C(=O)OC)c1 40705800 JKKDIJZRNFVOAQ-UHFFFAOYSA-N 450.455 2.441 50 10 JEGE O=C(c1cc(I)ccc1O)N1CCN2C[C@H](Br)C[C@H]2C1 405290037 ZPGJNKHJZNCSQV-KOLCDFICSA-N 451.102 2.290 50 10 JEGE O=C(COc1ccc(C=NNC(=O)C(=O)NCCc2ccccc2)cc1)NCCc1ccccc1 1084364676 OJZXHORDSXYHRJ-UHFFFAOYSA-N 472.545 2.233 50 10 JEGE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNc3cc(Cl)ccc3F)cc2)CC1 1643002933 IFTQGYCCSGIIEN-UHFFFAOYSA-N 454.911 2.089 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H](OCCBr)C1 2046756004 BEBOAXVTKVPZGB-CQSZACIVSA-N 473.389 2.124 50 10 JEGE CC(C)(C)OC(=O)N1C[C@H]2C[C@H](NS(=O)(=O)N3CCC(Br)CC3)C[C@H]2C1 2106299900 AMHDMANJLFZIOK-NHAGDIPZSA-N 452.415 2.326 50 10 JEGE CC(C)(C)OC(=O)NCC1(F)CCN(S(=O)(=O)N2CCC(Br)CC2)CC1 2106782473 QQSYWENNFMNNLR-UHFFFAOYSA-N 458.394 2.419 50 10 JEGE CN(C)C[C@H]1C[C@@H](Br)CN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2122373715 FMOYDUJRXISBIV-HUUCEWRRSA-N 486.432 2.038 50 10 JEGE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H](Br)C2CCCC2)[C@H]2CS(=O)(=O)C[C@@H]21 2167034518 XCVXDBJRAMULEM-SOUVJXGZSA-N 465.410 2.185 50 10 JEGE C[C@@H](NC(=O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21)c1nscc1B(O)O 2248899085 IXQLANPOIUCPTP-OAHLLOKOSA-N 479.367 2.319 50 10 JEGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)CCCN2C(=O)c3ccccc3C2=O)c(OC)c1 2314738456 QFFNFERNDRVGKN-UHFFFAOYSA-N 491.500 2.347 50 10 JEGE COc1cc(/C=C(/C#N)c2nn(CCO)c(N)c2C#N)ccc1OS(=O)(=O)c1ccc(F)cc1 6906992 QMGOPEMOOBZCSV-GDNBJRDFSA-N 483.481 2.309 50 10 JEGE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)NNC(=O)c1ccncc1 20287391 DAZZADVHAVLLID-LDADJPATSA-N 450.480 2.166 50 10 JEGE CC(=O)NNC(=O)CN1C(=O)[C@@H](C)Oc2ccc(-c3nc(-c4ccccn4)sc3C)cc21 40600653 ZVAHBZUOSXMHJQ-GFCCVEGCSA-N 451.508 2.462 50 10 JEGE O=C(NNc1ncnc(NCCCN2CCOCC2)c1[N+](=O)[O-])c1ccccc1Br 40623187 DPNJVEDQRPCYJK-UHFFFAOYSA-N 480.323 2.038 50 10 JEGE Nc1c(NCCCN2CCOCC2)ncnc1NNC(=O)COc1ccc(Cl)cc1Cl 40756694 CAMXLLMVSDENAC-UHFFFAOYSA-N 470.361 2.022 50 10 JEGE CCC[C@@H]1C[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@@H]3OC(C)(C)O[C@@H]23)N(C)C1 504626985 HCPHMGDEJJICGS-DJELQDGWSA-N 465.056 2.188 50 10 JEGE in-vitro CCCNC(=O)CN1C(=O)C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)c2ccccc21 1084480021 QKWOPKUZXBIGRV-UHFFFAOYSA-N 456.318 2.213 50 10 JEGE CC(=O)c1ccc(S(=O)(=O)CC(=O)NNC(=O)c2cc3c(s2)CC[C@H](C)C3)cc1F 1540343680 STAQOSZAJQKELJ-NSHDSACASA-N 452.529 2.450 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H]2C[C@@]1(CBr)CO2 2033589877 FOXRQRPYGFXYCD-AUUYWEPGSA-N 471.373 2.021 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2C[C@H](CBr)[C@@H]2C1 2053980084 GSEDREHKPDCAOG-YGOSVGOTSA-N 473.364 2.303 50 10 JEGE Cc1cc(NC(=O)C2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)cc(B(O)O)c1 2283956400 JYUVCDWOQVJICA-UHFFFAOYSA-N 467.375 2.173 50 10 JEGE CC(=O)OC[C@H]1O[C@@H](c2ccc(C)c(C(=O)CCl)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 71974208 MGKXTTXLLOMDSR-LILXYRQWSA-N 498.912 2.215 50 10 JEGE Nc1c(NNC(=O)c2ccc(F)cc2)ncnc1NNC(=O)c1ccccc1Br 101567944 AOJQGWDJFLTBHA-UHFFFAOYSA-N 460.267 2.474 50 10 JEGE O=C(CSc1n[nH]c(NN=Cc2cc(Cl)ccc2O)n1)NNC(=O)c1ccc(F)cc1 1083962969 QVLSHHNWEMTUGP-UHFFFAOYSA-N 463.882 2.302 50 10 JEGE CC(=O)N[C@H](C(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1)c1cccc(Br)c1 1540497194 AFYUDLRQSIHKBC-SFHVURJKSA-N 456.300 2.478 50 10 JEGE CC(=O)c1cc(Br)ccc1OCC(=O)NNC(=O)CCNC(=O)OC(C)(C)C 1558956901 HEDGSJRNWHLGOM-UHFFFAOYSA-N 458.309 2.093 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H](Br)C1CCC1 2000532214 IAFHARNVRJGRJM-CRAIPNDOSA-N 461.353 2.494 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H]1CCOC[C@@H]1Br 2316816500 APFVRVIIQIBVJU-IRXDYDNUSA-N 473.389 2.315 50 10 JEGE Cc1ccc(S(=O)(=O)N/N=C2\CCCc3oc(C(=O)NNC(=O)c4ccncc4)c(C)c32)cc1 40815310 PSCHOIOJTMTLJN-XIEYBQDHSA-N 481.534 2.385 50 10 JEGE Cc1ccc(S(=O)(=O)N(C)CC(=O)NNc2ccc(S(=O)(=O)C(F)F)cc2)cc1C 728975047 AIZTXLJYNFOTDE-UHFFFAOYSA-N 461.512 2.064 50 10 JEGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 1665685632 OIBWGBMTBYIJMI-MRXNPFEDSA-N 451.483 2.307 50 10 JEGE Cc1nc(-c2cnccn2)sc1C(=O)NNC(=O)c1ccc2c(c1)C(=O)N(C(C)(C)C)C2=O 1865757709 QRTCEYRDVCPGFF-UHFFFAOYSA-N 464.507 2.378 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Br)C2(CC2)C1 2000540403 FFJPLACOKJXOEX-YOEHRIQHSA-N 459.337 2.200 50 10 JEGE CC[C@@H](C)[C@H](CI)NS(=O)(=O)c1cc(Br)nn1C 2081241309 OPKGEBDFDYMVMH-SFYZADRCSA-N 450.140 2.311 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Cl)C[C@]2(CCCO2)C1 2164515053 PXGCQYUKEUBUJQ-VOBQZIQPSA-N 458.939 2.203 50 10 JEGE COc1ccc(C(=O)NNC(=S)NC(=O)C=Cc2ccco2)cc1I 2313617038 WBSVHHRSQZOLCC-UHFFFAOYSA-N 471.276 2.242 50 10 JEGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1 13630255 VLFAZYHKOWVMOK-KRWDZBQOSA-N 472.567 2.389 50 10 JEGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 33871550 XDFIBOOZYPDVFP-FSEPTYSPSA-N 478.530 2.314 50 10 JEGE COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 217182257 CXQAVPQGNZKOLX-FBKQIBBUSA-N 454.552 2.286 50 10 JEGE O=C(NN=C1C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21)c1cccc([N+](=O)[O-])c1 1084330138 GVTUOJSIPAJXTO-UHFFFAOYSA-N 483.440 2.372 50 10 JEGE O=C(NN=Cc1ccccc1O)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 1084430802 XVLWITYJKCLJQR-UHFFFAOYSA-N 465.388 2.118 50 10 JEGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1sccc1B(O)O 1901484612 AVRYOEXPTHBQFT-OAQYLSRUSA-N 464.352 2.361 50 10 JEGE COc1cc(C=NNC(=O)Cc2c(C)nc(O)nc2O)cc(OC)c1OCc1ccccc1 2318418365 YKNMMCIMHUAKCA-UHFFFAOYSA-N 452.467 2.485 50 10 JEGE Cc1ccc(S(=O)(=O)N2CCN(C=C(C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cc1 2325250786 RSUXLFYIEPQQRI-UHFFFAOYSA-N 455.496 2.256 50 10 JEGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(B(O)O)c(OC)c1 2339881574 PYDMIKIJYSWNGA-DEOSSOPVSA-N 488.349 2.309 50 10 JEGE NN(/C=C1\C=C(Cl)C=CC1=O)C(=O)CCCCC(=O)N(N)/C=C1\C=C(Cl)C=CC1=O 201198256 OIFWMVGEHSZBNE-PHEQNACWSA-N 451.310 2.242 50 10 JEGE Cc1ccc(NCC(=O)NNC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)c(C)c1 728205647 WAMHEJTWAMMFCM-KRWDZBQOSA-N 450.586 2.168 50 10 JEGE Cc1nc(-c2ccc(F)c(F)c2)ccc1C(=O)NNC(=O)CN1C(=O)c2ccccc2C1=O 1865755885 VMXZDMWHSIWZSO-UHFFFAOYSA-N 450.401 2.392 50 10 JEGE O=C(Cn1c(O)nc2ccccc2c1=O)N/N=C/c1cc(Br)cc(Br)c1O 1873792866 RFJMWFYBPLLWKJ-IFRROFPPSA-N 496.115 2.483 50 10 JEGE Cc1c(C(=O)O)cc(B(O)O)cc1N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887519041 JOOTUEUZDNSFRK-UHFFFAOYSA-N 486.333 2.444 50 10 JEGE Cn1nc(Br)cc1S(=O)(=O)NCCSSCCNC(=O)OC(C)(C)C 2061262744 SZJHVEWXWQDPAN-UHFFFAOYSA-N 475.456 2.367 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)Nc2cccc(B(O)O)c2)C1 2124518746 BREQDDZAXOXMGT-DEOSSOPVSA-N 454.332 2.149 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H]1COC2(CCC2)[C@H]1Br 2141552964 DNSAIHJCWFKQLV-SJORKVTESA-N 485.400 2.457 50 10 JEGE CO[C@@H]1CCN(S(=O)(=O)N2CCC(Br)CC2)[C@@H](CNC(=O)OC(C)(C)C)C1 2163056563 SSLJRLZXUNPXNZ-HUUCEWRRSA-N 470.430 2.095 50 10 JEGE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1sccc1B(O)O 2243926954 PDRJZLPSVMWUKQ-UHFFFAOYSA-N 464.352 2.361 50 10 JEGE C[C@H](c1cc(B(O)O)cs1)N(C)C(=O)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2268679050 BVPUKOCJHJCPHZ-APWZRJJASA-N 476.404 2.448 50 10 JEGE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2cc(B(O)O)ccc2Cl)CCN(Cc2ccccc2)C1 2268719170 ZUYXVZIRDYXIAS-HSZRJFAPSA-N 473.766 2.128 50 10 JEGE O=C(CSc1nnc(N/N=C/c2cc(Cl)cc(Cl)c2O)[nH]1)NNC(=O)C(F)(F)F 20834467 XDVUGCPMCRTDRO-QBROUFQSSA-N 472.236 2.065 50 10 JEGE COc1ccc(C(=O)NNS(=O)(=O)c2cc(Br)cc(F)c2OC)c(OC)c1 730766990 DDXAAFOFBCEXKH-UHFFFAOYSA-N 463.281 2.237 50 10 JEGE COCCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](Cc2ccc(OC(C)=O)cc2)C(=O)O)cc1 1866214137 TUCAWIFDHTVZRE-JJEHFPDLSA-N 452.463 2.356 50 10 JEGE CC[C@H](C)[C@@H](CI)NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O 1900341276 KBYUEENFSLEROY-SMDDNHRTSA-N 464.325 2.052 50 10 JEGE CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](CNS(=O)(=O)CI)C1 1910107668 OQVWVAGLZXFANJ-VIFPVBQESA-N 454.277 2.191 50 10 JEGE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1ccc(B(O)O)cc1 2257363721 AGWKLZQDQSOXKG-UHFFFAOYSA-N 472.350 2.342 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H]1CC[C@@H](CBr)CO1 2264703470 IPCMVQQXIQEPIF-GJZGRUSLSA-N 487.416 2.418 50 10 JEGE COc1ccc(CC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OC)cc1 9696107 KUHHBYVTBUWOEM-UHFFFAOYSA-N 452.330 2.345 50 10 JEGE O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=S)NC(=O)COc1cccc2ccccc12 12574147 QLYMGYNKRCKGQY-UHFFFAOYSA-N 454.464 2.228 50 10 JEGE Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)c1 33899898 OHKWIGVGRHPAFL-XUDLPTGHSA-N 478.530 2.314 50 10 JEGE Cc1c(Br)c2ccccc2n1CC(=O)NNC(=O)c1csc(N2CCOCC2)n1 71939627 SRJOBTXDIOWLPJ-UHFFFAOYSA-N 478.372 2.467 50 10 JEGE Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1NNC(=O)c1ccncc1 101570761 GLCZAGVPKGGGQW-UHFFFAOYSA-N 463.285 2.040 50 10 JEGE CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NNc3nc4ccccn4n3)cc2)cc1 1638545414 JZTRSYPKWGXQCP-UHFFFAOYSA-N 450.480 2.490 50 10 JEGE C[C@H]1CCc2c(sc3ncn(CC(=O)NNS(=O)(=O)c4ccc(Cl)cc4)c(=O)c23)C1 1860770676 RGXPHRIWYSKDNH-NSHDSACASA-N 466.972 2.246 50 10 JEGE CC(C)(C)OC(=O)N1CCN([S@](C)(=O)=NCCOCCI)CC1 1904642048 HNXPADRLRNBANF-HSZRJFAPSA-N 461.366 2.004 50 10 JEGE C[C@@H]1CCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@H]1Br 2000540241 DODZLVKNAWJTNP-DWQUBVKVSA-N 461.353 2.446 50 10 JEGE COc1cc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2)cc(OC)c1OC 12503678 MEFKDPDPFYSENT-UHFFFAOYSA-N 453.904 2.080 50 10 JEGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1CN1CCCC[C@H]1C)c1cc(C)sc1C 254492696 IBILVUBJKOMVFC-LLVKDONJSA-N 457.564 2.439 50 10 JEGE O=S(=O)(CCC(F)(F)CBr)N1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 2123363567 UXMMPTCPEPFCIH-HOTGVXAUSA-N 453.349 2.322 50 10 JEGE CN(C)c1ccc(C=C(C#N)C(=O)OCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)cc1 2297487112 HRLUJADMUGYBSC-UHFFFAOYSA-N 450.451 2.322 50 10 JEGE CCCOc1ccccc1C(=O)NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 13623514 HFVIFTRGRNWYCN-QGZVFWFLSA-N 454.552 2.160 50 10 JEGE C/C(=C/c1ccccn1)C(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 1540443753 NDYBQZYIJKMTPS-VKAVYKQESA-N 450.520 2.425 50 10 JEGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccccc2CN2C(=O)CCC2=O)cc1 1673856459 MXMSMZLPPXQSOI-HNNXBMFYSA-N 452.467 2.158 50 10 JEGE CC(C)(C)OC(=O)N[C@@H]1c2ccccc2C[C@H]1NS(=O)(=O)CI 1983328340 WISFHUJSKSSECD-CHWSQXEVSA-N 452.314 2.489 50 10 JEGE CN([C@H]1CC[C@H]1NC(=O)OCc1ccccc1)S(=O)(=O)N1CCC(Br)CC1 1999493340 BPGOLJPWVPQXEW-SJORKVTESA-N 460.394 2.480 50 10 JEGE C[C@@H](NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O)C1(CBr)CC1 2000533568 RDKCQYKYJDJPGV-SJKOYZFVSA-N 461.353 2.494 50 10 JEGE C[C@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1cc(CBr)sc1Br 2179791280 PESQFTBWELILJV-SSDOTTSWSA-N 469.242 2.459 50 10 JEGE CC(C)(C)OC(=O)N1CCCN([S@@](C)(=O)=NCCOCCI)CC1 2306798822 IJAJYJCZFMAWGH-DEOSSOPVSA-N 475.393 2.394 50 10 JEGE COc1ccc(Cn2cccc(C(=O)NN=Cc3cc(OC)c(O)c([N+](=O)[O-])c3)c2=O)cc1 2323656095 DIDJYHLXHDJMTH-UHFFFAOYSA-N 452.423 2.292 50 10 JEGE O=C(CSc1n[nH]c(N/N=C/c2cccc(Cl)c2Cl)n1)NNC(=O)C(F)(F)F 20833845 JESDXGRLUJZIEM-RMOCHZDMSA-N 456.237 2.359 50 10 JEGE CCOC(=O)C1=NO[C@@H](Cc2c(C=NNC(=O)Cc3ccccc3)c3c(c(OC)c2OC)OCO3)C1 254488493 VFWILDBXYNNRHT-INIZCTEOSA-N 497.504 2.376 50 10 JEGE Cc1c(C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cccc1[N+](=O)[O-] 1860769867 JYCPXQRWFBJGKG-NSHDSACASA-N 455.496 2.261 50 10 JEGE CC(C)(C)OC(=O)NC1CCC(OCCNS(=O)(=O)CI)CC1 1983326815 FKXYOIXPKIVLRW-UHFFFAOYSA-N 462.350 2.151 50 10 JEGE Cc1nc(I)c(I)n1Cc1ccsc1C(=O)NN 2028587133 ZWNOQXUWBJXKMQ-UHFFFAOYSA-N 488.092 2.114 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@]1(CBr)CCCOC1 2029232374 HWSSBKXZEXYUJH-LJQANCHMSA-N 473.389 2.174 50 10 JEGE Cn1nc(Br)c(CC(CBr)(CBr)[C@H]2CCS(=O)(=O)C2)n1 2235293178 JQUGOMSSMDHHPI-QMMMGPOBSA-N 494.047 2.331 50 10 JEGE Cn1nnc(Br)c1S(=O)(=O)N[C@@H](CCBr)COCc1ccccc1 2303537498 GGRXGLZFZGRVFH-LBPRGKRZSA-N 482.198 2.226 50 10 JEGE C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)CCl 13543884 GCRRWFNEYPUQFM-ZWOKBUDYSA-N 473.957 2.341 50 10 JEGE CN(CC(=O)NNC(=O)c1cc(Br)cn1C)C(=O)c1ccc(Br)s1 108068234 CFTKQXQAYLCFJG-UHFFFAOYSA-N 478.166 2.145 50 10 JEGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)NN=Cc1ccc(C(=O)OC)cc1 1084283267 PUJACAXFAZOEIL-UHFFFAOYSA-N 490.549 2.286 50 10 JEGE C[C@@H](Sc1n[nH]c(NN=Cc2cc(Br)ccc2O)n1)C(=O)NNC(=O)C1CCC1 1084556623 CKUGLAWQRCKELO-SECBINFHSA-N 482.364 2.147 50 10 JEGE C#CC1(O)CCN(C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(OC)c(OC)c2)CC1 1633559016 CJZRUMLMYIXYPK-XMHGGMMESA-N 459.506 2.375 50 10 JEGE C[C@@H]1CCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)[C@@H]1CBr 2000539639 BMXFCGAEVONAMM-DWQUBVKVSA-N 461.353 2.446 50 10 JEGE Cc1cc(B(O)O)sc1CN(C)C(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2268654744 DAQOUMDVRWTLBP-OXJNMPFZSA-N 476.404 2.193 50 10 JEGE CCOc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)COc2ccccc2C)cc1 12503241 XVMJMUZXDOODND-UHFFFAOYSA-N 458.540 2.213 50 10 JEGE CCCCOc1ccccc1C(=O)NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 13630243 BJUPIYILGWDWHY-HNNXBMFYSA-N 458.540 2.143 50 10 JEGE CNS(=O)(=O)c1ccc(/C=C\C(=O)NNC(=O)CSc2cccc3cccnc23)cc1 96927152 RYIHBFHIKIRFSI-XFXZXTDPSA-N 456.549 2.096 50 10 JEGE COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 207175383 FGMFMYJLPFVPGY-PXNMLYILSA-N 482.405 2.497 50 10 JEGE CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NNc2ccc3c(=O)[nH]ccc3c2)cc1 1640554669 MOQZYRPMRYPGNY-UHFFFAOYSA-N 456.524 2.275 50 10 JEGE CN(C)C[C@H]1C[C@H](Br)CN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2122389564 FDFNSBUMFGLQOQ-JKSUJKDBSA-N 486.432 2.182 50 10 JEGE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2CNS(=O)(=O)N1CCC(Br)CC1 2330514577 ZQZUHEJDOALADA-YUELXQCFSA-N 452.415 2.468 50 10 JEGE COc1ccccc1OCC(=O)NC(=S)NNC(=O)c1ccc(NC(=O)CC(C)C)cc1 13979068 XFHZEAJTQOBAGT-UHFFFAOYSA-N 458.540 2.394 50 10 JEGE CCn1c(SCC(=O)NN=Cc2cnn(C)c2C)nnc1-c1cc(C(F)(F)F)n(C)n1 254369421 WZJDJNHDHZFGRN-UHFFFAOYSA-N 455.470 2.002 50 10 JEGE Nn1c(SCCCC(=O)NN=Cc2ccc(O)cc2O)nnc1-c1cccc([N+](=O)[O-])c1 1084103392 OWDOPVCQRUPABC-UHFFFAOYSA-N 457.472 2.001 50 10 JEGE Cc1ccc(S(=O)(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1C 1860770590 OQSFTVKKYMRHBU-GFCCVEGCSA-N 460.581 2.209 50 10 JEGE O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1860771109 KDTGAAWYEWMDDW-UHFFFAOYSA-N 494.445 2.403 50 10 JEGE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC[C@H]2NS(=O)(=O)N2CCC(Br)CC2)C1 2106294936 BDSUUVWPLAPEND-NWANDNLSSA-N 452.415 2.326 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@H]([S@](C)(=O)=NS(=O)(=O)N2CCC(Br)CC2)C1 2106776412 HPSPQAAAQHFVRD-CANCMXDXSA-N 474.443 2.198 50 10 JEGE CN1CCN(S(=O)(=O)c2ccc(CBr)cc2)[C@@H](CNC(=O)OC(C)(C)C)C1 2163059042 PZOFNJCKKPIJSY-HNNXBMFYSA-N 462.410 2.411 50 10 JEGE O=C(c1ccc(I)c(O)c1)N1C[C@@H]2[C@@H](CBr)CO[C@H]2C1 2178081073 BPFSQPHBOJORRH-CWSCBRNRSA-N 452.086 2.479 50 10 JEGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1ccccc1B(O)O 2248416191 OAZZAATYDPZTIZ-QGZVFWFLSA-N 458.323 2.252 50 10 JEGE Cc1ccc(B(O)O)cc1NC(=O)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2283958110 VTVHNOYFWGDPRF-UHFFFAOYSA-N 467.375 2.173 50 10 JEGE Cc1cc(B(O)O)sc1CN(C)C(=O)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2284137075 KEDISDDBOYECRM-UHFFFAOYSA-N 488.415 2.149 50 10 JEGE COc1ccc(Cn2cccc(C(=O)NN=Cc3cc(O)c(OC)cc3[N+](=O)[O-])c2=O)cc1 2323656185 KNNCPXQVKOLZNW-UHFFFAOYSA-N 452.423 2.292 50 10 JEGE CCCOC(=O)CCC(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1Cl 13997535 LFOKPSVHSYTWHE-UHFFFAOYSA-N 480.768 2.237 50 10 JEGE Nc1cc(C(=O)N/N=C\c2ccc(/C=N/NC(=O)c3cc(N)cc([N+](=O)[O-])c3)cc2)cc([N+](=O)[O-])c1 32600968 GZAIALREFIZSMK-UIXGLJBASA-N 490.436 2.195 50 10 JEGE COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)Cn2ncc3ccccc32)c1 730514186 FFRPQHDKJVZXKN-UHFFFAOYSA-N 479.518 2.307 50 10 JEGE COc1cccc(C(=O)NN=C2C(=O)N(CCN3C(=O)c4ccccc4C3=O)c3ccccc32)c1 1084139714 ZLGZXRHRZFWTAX-UHFFFAOYSA-N 468.469 2.472 50 10 JEGE CC(=O)N[C@H](C(=O)NNC(=O)CN1CCCc2ccccc21)c1cccc(Br)c1 1538915007 PWPXDYNRYDHMAB-FQEVSTJZSA-N 459.344 2.227 50 10 JEGE C#C[C@H](CO)NC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(OC(F)F)c(OC)c1 1625165256 IOVLNZUSWKALFI-NQUDRAQSSA-N 455.421 2.091 50 10 JEGE CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NNc2ccc(C(F)(F)F)nn2)cc1 1637912309 OYODWNUIZZOIAI-UHFFFAOYSA-N 459.450 2.242 50 10 JEGE CS(=O)(=O)Cc1ccc(C(=O)NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1 1860771433 WGYKEQNUQMVGIT-UHFFFAOYSA-N 496.570 2.131 50 10 JEGE COc1ccc(OCC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 1865852528 ZZYJLQPRYIWNIS-CYBMUJFWSA-N 456.524 2.133 50 10 JEGE O=C(CCBr)Nc1c(I)ncnc1I 1884879490 KBEIBVAQMDFYKJ-UHFFFAOYSA-N 481.857 2.409 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](Br)C(F)(F)C1 1946680668 HHRPDVSQMPTTFN-CYBMUJFWSA-N 465.316 2.353 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1COC2(CCC2)[C@H]1Br 2141559552 VPZFDRWAIQGPBQ-HOTGVXAUSA-N 485.400 2.313 50 10 JEGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1ccc(B(O)O)s1 2243665328 RPKUWQSLUPNLFP-HNNXBMFYSA-N 464.352 2.314 50 10 JEGE CC(C)(C)OC(=O)N(CCCC(=O)NCCc1c(F)cccc1B(O)O)Cc1ccccc1 2273928292 NVMMMCPZWFIDJO-UHFFFAOYSA-N 458.339 2.382 50 10 JEGE CC(C)(C)OC(=O)N1C[C@H](CNS(=O)(=O)N2CCC(Br)CC2)C2(CC2)C1 2336338335 NKKYRXHCWWOMOR-ZDUSSCGKSA-N 452.415 2.327 50 10 JEGE O=C(N/N=C/c1ccc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)cc1)[C@@H]1COc2ccccc2O1 20533740 XXMKVVMWWGHMMI-OIMSFXHCSA-N 486.484 2.267 50 10 JEGE COc1ccccc1OCC(=O)Oc1ccc(/C=C(/C#N)C(=O)N2CCOCC2)cc1OC 207215210 FWBQACUPPBANDO-AQTBWJFISA-N 452.463 2.454 50 10 JEGE Cc1cc(C=NNC(=O)COc2ccccc2[N+](=O)[O-])c(C)n1-c1ccc(S(N)(=O)=O)cc1 254757824 ABQKJVOUQPOKRU-UHFFFAOYSA-N 471.495 2.179 50 10 JEGE CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)NNc2ccc(F)c(F)c2F)cc1 728718420 HWRYHLFSAPOMJZ-UHFFFAOYSA-N 458.462 2.008 50 10 JEGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)cc1 747194421 IEFSMPCXATWJJW-GANRHZMWSA-N 490.486 2.094 50 10 JEGE CC(=O)N[C@](C)(C(=O)NNc1cccc(Br)c1)c1ccc(S(C)(=O)=O)cc1 1566579992 JFCMVEPRSKVRFL-SFHVURJKSA-N 454.346 2.347 50 10 JEGE COC[C@](C)(CCBr)NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2046021598 CQJVIXJWIIXGNN-MSOLQXFVSA-N 479.368 2.120 50 10 JEGE N#CC(=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)NCCc1ccc(O)cc1 2324498751 JZSIUXRHIGPMRO-UHFFFAOYSA-N 490.969 2.245 50 10 JEGE CCOCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C2CC2)cc1 9826247 XGCNNZOWDCJKEN-UHFFFAOYSA-N 470.551 2.400 50 10 JEGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1Br 12501142 SDMKMENNXALVOH-UHFFFAOYSA-N 467.301 2.380 50 10 JEGE COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1Br 12570480 GXVSMKQADCITRM-UHFFFAOYSA-N 483.300 2.080 50 10 JEGE Cn1cc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)c2ccccc21 15823845 IPUQIWRLOWJNTB-UHFFFAOYSA-N 454.552 2.357 50 10 JEGE O=C(Cn1nnc2ccccc21)N/N=C1\C(=O)Nc2c(Br)cc(Br)cc21 59181336 NCHMDYQTJQESLR-UHFFFAOYSA-N 478.104 2.429 50 10 JEGE O=C(NCC[C@@H]1CN(S(=O)(=O)CI)c2ccccc21)C(F)(F)F 2007716932 CNBQOYYPBPMSRA-SECBINFHSA-N 462.231 2.381 50 10 JEGE CCOc1ccc(NC(=O)C(C#N)=Cc2c(N3CCC(C(N)=O)CC3)nc3ccccn3c2=O)cc1 2296848609 KROYSAWUCGHTEK-UHFFFAOYSA-N 486.532 2.341 50 10 JEGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CCC[C@H](Br)[C@H]1C(F)(F)F 2303942297 RSRBGOQMYNPBBL-STQMWFEESA-N 469.279 2.403 50 10 JEGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@H]2COC[C@@H](C1)[C@@H]2Br 2364030172 XORSZWLQRGURFS-JIGDXULJSA-N 471.975 2.427 50 10 JEGE Cc1nc2c3ccccc3nc(NNC(=O)CCC(=O)N3CCN(c4ccc(F)cc4)CC3)n2n1 8599007 HPHQQLCGYWKINR-UHFFFAOYSA-N 476.516 2.297 50 10 JEGE COc1ccc(CC(=O)NC(=S)NNC(=O)COc2ccc(Br)c(C)c2)cc1 12503629 SYNHNWVOZRPJMY-UHFFFAOYSA-N 466.357 2.410 50 10 JEGE O=C(NNC(=S)Nc1ccccc1)[C@@H]1CCCN([C@@H]2CC(=O)N(c3ccccc3)C2=O)C1 22532396 LFOHMNGZQWTVNQ-VQIMIIECSA-N 451.552 2.048 50 10 JEGE COC(=O)c1cc(Nc2ncnc(NNC(=O)c3ccccc3OC)c2[N+](=O)[O-])cc(C(=O)OC)c1 40594093 ZCPYCNFYVXWXSO-UHFFFAOYSA-N 496.436 2.467 50 10 JEGE COC(=O)C1CCN(C(=O)COC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)CC1 761380298 DZURURIHSPCMTH-ZHZULCJRSA-N 475.505 2.326 50 10 JEGE Cc1ccc(-c2csc3ncn(CC(=O)NNC(=O)CNC(=O)c4ccccc4)c(=O)c23)cc1 1860770493 KTLVYAAKQSPVCS-UHFFFAOYSA-N 475.530 2.011 50 10 JEGE CN(C[C@H]1C[C@@H](Br)C1)C(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)OC(C)(C)C 1887823863 STNWSWUKOFDCQS-MJBXVCDLSA-N 453.399 2.043 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](CBr)C2(CC2)C1 2046024648 BZXFEABABQAUML-SCLBCKFNSA-N 473.364 2.448 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2C[C@H](Br)C[C@H]2C1 2065397614 QWBSJBQXUQPITD-HLBODDRNSA-N 473.364 2.446 50 10 JEGE COC(=O)[C@@H](I)CNC(=O)c1cc(C)ccc1I 2224012864 QOESTTOIKYVINA-JTQLQIEISA-N 473.048 2.306 50 10 JEGE O=C(NCCC(=O)N1Cc2cccc(B(O)O)c2C1)OCC1c2ccccc2-c2ccccc21 2248887227 RGXHESQPIXBUEA-UHFFFAOYSA-N 456.307 2.137 50 10 JEGE Cc1cc(CNC(=O)C2(NC(=O)OCC3c4ccccc4-c4ccccc43)CC2)sc1B(O)O 2302678107 FKFGEMXKIQUBEI-UHFFFAOYSA-N 476.363 2.424 50 10 JEGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)cc1 747194417 IEFSMPCXATWJJW-CFINBHSISA-N 490.486 2.094 50 10 JEGE Nn1c(SCCCC(=O)NN=Cc2ccc([N+](=O)[O-])cc2)nnc1-c1cccc([N+](=O)[O-])c1 1084223559 LEHOXIFBRGLTGM-UHFFFAOYSA-N 470.471 2.498 50 10 JEGE CC(C)(C)OC(=O)NC[C@@H]1CC[S@@](=O)(=NS(=O)(=O)CI)C1(C)C 1983332985 CNWHNIDGDQOAQO-MGUXCZDKSA-N 480.390 2.500 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1C[C@@H]([C@@H](F)CBr)C1 2078421757 FXYQGBMWMADTKC-TYYYEBLRSA-N 479.343 2.442 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCC2(CC1)C[C@@H](Br)CO2 2116511717 WCERQNDLNCVDKD-OAHLLOKOSA-N 485.400 2.411 50 10 JEGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1cccc(B(O)O)c1 2248415285 XXBVEAXWXFUFIX-KRWDZBQOSA-N 458.323 2.252 50 10 JEGE Cn1nc(Br)c(Br)c1C(=O)NC[C@H]1C[C@@H](CBr)CO1 2338860727 MVXBPEQMTFQAMR-NKWVEPMBSA-N 459.964 2.475 50 10 JEGE COC(=O)[C@@H](I)CNS(=O)(=O)c1cc(Cl)c(Br)s1 234614112 GXZYHCBZRKFRSF-YFKPBYRVSA-N 488.550 2.419 50 10 JEGE O=C(N[C@H]1CS(=O)(=O)C[C@H]1Cl)c1cc(I)ccc1Br 236028723 NZSOXJZCXJFBIS-ZJUUUORDSA-N 478.533 2.188 50 10 JEGE C=CCNC(=S)NNC(=O)c1nnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1C(F)F 1538841347 NNFURPPNXXMTJR-UHFFFAOYSA-N 459.523 2.083 50 10 JEGE CS[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NS(=O)(=O)N1CCC(Br)CC1 2084777675 CCXBVEUMBFLPEW-STQMWFEESA-N 458.444 2.031 50 10 JEGE O=S(=O)(c1cnn(CCBr)c1)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2179820633 ADGWVQRBCBQXIQ-ZWKOTPCHSA-N 453.406 2.421 50 10 JEGE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ncc(B(O)O)cn1 2220156172 NXEFIEABKZIVPC-IVZQSRNASA-N 474.326 2.048 50 10 JEGE Cc1cc(B(O)O)sc1CNC(=O)[C@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21 2243684468 ACALFKYBDPUENW-HNNXBMFYSA-N 464.352 2.280 50 10 JEGE O=S(=O)(NCCCN(Cc1ccccc1)Cc1ccccc1)c1c(Cl)cccc1B(O)O 2255754125 ZHTLZGNCVSLJNV-UHFFFAOYSA-N 472.803 2.391 50 10 JEGE C[C@@H](NC(=O)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)c1cscc1B(O)O 2283952768 MBIOVHJFESLPSZ-QGZVFWFLSA-N 487.431 2.165 50 10 JEGE CCNC(=O)C(C#N)=Cc1c(N2CCN(Cc3ccccc3)CC2)nc2c(C)cccn2c1=O 2296546379 WPIXOHXFBOCTDU-UHFFFAOYSA-N 456.550 2.368 50 10 JEGE CC(C)(CI)CN1CCS(=O)(=O)CC12CN(C(=O)OC(C)(C)C)C2 2306810753 WVRFONNNOCCINP-UHFFFAOYSA-N 472.389 2.168 50 10 JEGE CCOC(=O)/C=C/C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2C)cc1 12501353 CNRHKPGOECMUFA-OUKQBFOZSA-N 454.508 2.002 50 10 JEGE Cc1ccc(C(=O)NC(=S)NNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1Br 13630184 KRAOTLMMVPWDST-CYBMUJFWSA-N 479.356 2.035 50 10 JEGE Cn1cc(Br)cc1C(=O)NNC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 16270680 UFOWGBPNWSIYBG-UHFFFAOYSA-N 451.365 2.271 50 10 JEGE CC(=NNc1nc(SCC(=O)NNC(=O)c2ccccc2)n[nH]1)c1ccc([N+](=O)[O-])cc1 1083946810 IREPYFQXBBXABL-UHFFFAOYSA-N 454.472 2.102 50 10 JEGE O=C(NS(=O)(=O)c1ccc(CCNC(=O)[C@H]2CCCO2)cc1)Oc1ccc([N+](=O)[O-])cc1F 1859003019 CCMIIIWETIJHFM-GOSISDBHSA-N 481.458 2.049 50 10 JEGE CC(=NNC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)c1cc(Cl)ccc1O 1903870247 MVSQDUZRRVBYLA-UHFFFAOYSA-N 450.948 2.136 50 10 JEGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 1993239235 VJKHLLRKVJDLRH-ZIAGYGMSSA-N 465.638 2.379 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@]1(F)C[C@@H](CBr)C1 2002995261 BSOAVGRXSAUEPG-QGGXVJLZSA-N 461.353 2.495 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](CBr)C2(CC2)C1 2046024646 BZXFEABABQAUML-ACJLOTCBSA-N 473.364 2.448 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC1(F)CC(CBr)C1 2049629090 FTTFAJCOXBMYNS-AFSSOGTRSA-N 479.343 2.443 50 10 JEGE CC(=O)NC(=Cc1ccccc1)C(=O)NNS(=O)(=O)c1ccc(Br)c(C)c1 2052148627 XJXOTIDODBCYAU-UHFFFAOYSA-N 452.330 2.244 50 10 JEGE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]2(NS(=O)(=O)N2CCC(Br)CC2)C1 2106306059 VIWSLVJXFZCYNY-GUYCJALGSA-N 452.415 2.470 50 10 JEGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2314792484 FGMFMYJLPFVPGY-UHFFFAOYSA-N 482.405 2.497 50 10 JEGE COc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)C[C@@H]1CCS(=O)(=O)C1 34897969 IRZZRGNODOSQKY-SLHXSTLSSA-N 458.492 2.242 50 10 JEGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N[C@@H](CBr)Cc1ccccc1 707395963 GUCOVPCCNSBELR-OAHLLOKOSA-N 451.342 2.208 50 10 JEGE CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)NNC(=O)C1CCN(c3ncccn3)CC1)O[C@H](C)C2 730495320 BOSKRVIPQIBFPK-MOXGXCLJSA-N 465.554 2.366 50 10 JEGE COc1ccc(N2CCN(CCNC(=O)NNC(=O)CSc3ccc(C)cc3)CC2)cc1 743362504 FFMUVGLPBVCMIH-UHFFFAOYSA-N 457.600 2.248 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H]1CC[C@@H](Br)C1 2000540413 FFQLLTAEYKXGPY-VFVRVIDISA-N 461.353 2.494 50 10 JEGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H](C)c1cc(B(O)O)cs1 2268655202 JABQMBZXQGENKR-TWOQFEAHSA-N 476.404 2.446 50 10 JEGE C[C@@H](c1cc(B(O)O)cs1)N(C)C(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2268705268 BVPUKOCJHJCPHZ-QFBILLFUSA-N 476.404 2.448 50 10 JEGE CC(C)(C)OC(=O)N[C@@H](CCOc1cc(B(O)O)c(Cl)cn1)COCc1ccccc1 2303531095 XBALAWPAXPKQNV-INIZCTEOSA-N 450.728 2.294 50 10 JEGE O=C(N[C@H]1CS(=O)(=O)C[C@H]1Br)c1ccc(Cl)cc1I 2340051736 GVDYABDCPKUOEB-SCZZXKLOSA-N 478.533 2.235 50 10 JEGE CCOc1cc(/C=N/NC(=O)[C@@H]2C(=O)NC[C@@H]2c2ccccc2)cc(I)c1O 229880142 XMZNSYMMUJFINW-GOUPHMKNSA-N 493.301 2.375 50 10 JEGE CCOc1cc(C=NNC(=O)Cc2nnc(N)s2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 254327847 ZBZWGJSCGWBMBR-UHFFFAOYSA-N 470.467 2.339 50 10 JEGE CSCC[C@H](C(=O)N1CCC[C@@H](C(=O)NNc2ccccn2)C1)N1C(=O)c2ccccc2C1=O 1873777315 FEFOENGCHLHXQB-VQIMIIECSA-N 481.578 2.181 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)N2CCC(Br)CC2)[C@@H]1C1CC1 1885864942 HDGWMXJVBYHCRC-GJZGRUSLSA-N 452.415 2.468 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCCC1(CBr)CC1 2000540864 QXCRPVZJZSKHNO-KRWDZBQOSA-N 461.353 2.495 50 10 JEGE CC(C)(C)OC(=O)N1CC(Oc2ncc(Br)cc2B(O)O)(c2cccs2)C1 2240324008 UPVQWZDHVHDPQR-UHFFFAOYSA-N 455.139 2.110 50 10 JEGE Cc1ccc(NC(=O)C2(COCc3ccccc3)CN(C(=O)OC(C)(C)C)C2)c(B(O)O)c1 2268791656 OAXFZFJHLJKQKM-UHFFFAOYSA-N 454.332 2.067 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2OCC[C@]2(CBr)C1 2278886266 CXDCOZLYWPGNKO-JXFKEZNVSA-N 485.400 2.124 50 10 JEGE COCCNC(=O)/C(C#N)=C/c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1 6904884 XIGXINGKFHVQML-JLHYYAGUSA-N 468.329 2.190 50 10 JEGE C=CCc1cccc(/C=N/NC(=O)CSc2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2N)c1O 58988455 VZJPKQWFEVDRHN-LSHDLFTRSA-N 498.481 2.152 50 10 JEGE N#C/C(=C/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1)C(=O)NCc1ccccc1 205491718 TYUSPNWGILKUNA-OEUJZRNMSA-N 466.588 2.481 50 10 JEGE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NNC(=O)c1sc2cc(F)ccc2c1Cl 1306354457 SFRNLYCMHUGOHU-UHFFFAOYSA-N 456.927 2.264 50 10 JEGE CC(C)(C)OC(=O)N[C@H]1CCN(S(=O)(=O)c2ccc(CBr)cc2)C[C@H]1CO 2178898755 USRYUFGUYKBQOL-HOCLYGCPSA-N 463.394 2.478 50 10 JEGE CC(C)(C)NC(=O)CCN(NC(=O)C=Cc1ccccc1)C1=NS(=O)(=O)c2ccccc21 2293854780 HQCPZJBAGBTCAK-UHFFFAOYSA-N 454.552 2.487 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCOC[C@H]1CBr 2316822245 OYPIYESSESVFEN-OAHLLOKOSA-N 473.389 2.269 50 10 JEGE CCOc1cc(C=NNC(=O)c2ccc3c(c2)OCO3)cc(Br)c1OCC(N)=O 254868696 BKNODORZESEHJC-UHFFFAOYSA-N 464.272 2.205 50 10 JEGE COC(=O)[C@@H]1CN(C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CCO1 728537967 FQPTYWXLGAMUCX-QMDZLVRISA-N 453.886 2.425 50 10 JEGE CCOc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NNC(=O)Cc3cccnc3)cc2)cc1 728852305 ZWTRNEKJQYMCKG-UHFFFAOYSA-N 498.561 2.074 50 10 JEGE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNc3cccc(Cl)c3C)cc2)CC1 1545967917 ORCGYSDAAOVCHU-UHFFFAOYSA-N 450.948 2.258 50 10 JEGE CC(=O)Nc1ccc(C)c(N2C[C@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)c1 1872960537 DIHDMAVQJNUSTI-RBUKOAKNSA-N 478.553 2.083 50 10 JEGE COc1ccc(Cl)cc1N1C[C@H](C(=O)N2CCC[C@@H](C(=O)NNc3ccccn3)C2)CC1=O 1873777343 GEIATAKNIUVXIH-HZPDHXFCSA-N 471.945 2.478 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CBr)C[C@H]1CCOC1 1883275376 SNOKSIOBTWUUIZ-LPMFXHHGSA-N 491.379 2.120 50 10 JEGE CN([C@@H]1CC[C@H]1NC(=O)OCc1ccccc1)S(=O)(=O)N1CCC(Br)CC1 1999493338 BPGOLJPWVPQXEW-IAGOWNOFSA-N 460.394 2.480 50 10 JEGE CC(C)(C)OC(=O)NC[C@H]1C[C@@]2(CCN2S(=O)(=O)N2CCC(Br)CC2)C1 2125783092 QWUFCQYJWVVURB-WJYNOGRTSA-N 452.415 2.470 50 10 JEGE CC(C)(C)OC(=O)N[C@H]1CN(S(=O)(=O)c2ccc(CBr)cc2)CC[C@@H]1CO 2178899076 XJIDRECVIHAVRA-ZBFHGGJFSA-N 463.394 2.478 50 10 JEGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(B(O)O)ccc1Cl 2256624941 QCEHDSBYOBSYCP-IFXJQAMLSA-N 462.739 2.457 50 10 JEGE C[C@H](NC(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1)c1nscc1B(O)O 2302679284 KXQALFFZTTUKED-AWEZNQCLSA-N 477.351 2.071 50 10 JEGE CN1CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@H]1CBr 2338846390 YNYUOCDTSGEOPC-MRXNPFEDSA-N 486.432 2.184 50 10 JEGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)c1ccc([N+](=O)[O-])cc1 12501164 LOVXZLVHXOANKQ-UHFFFAOYSA-N 467.301 2.380 50 10 JEGE N#C/C(=C\N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1)C(=O)NCc1ccccc1 254799998 CADIJGPZBWXFBH-LJGITTAESA-N 452.561 2.485 50 10 JEGE C[C@H]1Cn2nc(NS(=O)(=O)CI)cc2CN1C(=O)OC(C)(C)C 1983328088 TXMCLAQKVYGPAY-VIFPVBQESA-N 456.306 2.157 50 10 JEGE O=C(c1csc(I)c1)N1C[C@@H]2OC[C@H](CBr)O[C@H]2C1 2265158911 NXEHXBGBHBSAEM-GUBZILKMSA-N 458.115 2.356 50 10 JEGE Cc1ccc(S(=O)(=O)N2CCN(C=C(C#N)C(=O)Nc3cccc(C(=O)O)c3)CC2)cc1 2324103025 ZLMRMQFMPCJANF-UHFFFAOYSA-N 454.508 2.046 50 10 JEGE CC(C)CCOc1ccccc1C(=O)NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 13630246 JJCCAKDRCFKOBV-MRXNPFEDSA-N 472.567 2.389 50 10 JEGE O=C(NCCCN1CCCS1(=O)=O)C(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F 726313102 PUPHTBVMBNXTOL-HNNXBMFYSA-N 473.926 2.386 50 10 JEGE Cc1ccc(N2C(=O)[C@H](/C=C(/C#N)C(=O)N3CCN(c4ccccc4)CC3)C(=O)NC2=S)cc1C 1084106261 GLIOBZASSIRXKC-JXTFVVQCSA-N 487.585 2.466 50 10 JEGE COc1ccc(N([C@@H](C)C(=O)NN=Cc2cccc(OC3CSC3)c2)S(C)(=O)=O)cc1 1084264517 HUZINCHYDHNSOP-HNNXBMFYSA-N 463.581 2.494 50 10 JEGE O=C(c1ccc(I)c(O)c1)N1C[C@@H]2OC[C@@H](CBr)[C@@H]2C1 2178081075 BPFSQPHBOJORRH-NRUUGDAUSA-N 452.086 2.479 50 10 JEGE Cc1ccc(C(=O)NNC(=O)COC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 11243476 GWFUSDCNPQCEAV-UHFFFAOYSA-N 493.969 2.054 50 10 JEGE COc1ccc(Br)cc1S(=O)(=O)NNC(=O)c1cc(Br)c[nH]1 28808858 ULIWENBLRQAIAT-UHFFFAOYSA-N 453.112 2.172 50 10 JEGE CCCCCCC1=Cc2c/c(=C(\C)NNC(=O)c3ccc([N+](=O)[O-])cc3)c(=O)oc2=CC1=O 38167133 YILIADAOQHQVIK-HKWRFOASSA-N 451.479 2.328 50 10 JEGE COc1ccc(C(=NNC(=O)NN)[C@H](c2ccc(OC)cc2)[C@@]2(O)C(=O)Nc3ccccc32)cc1 254762086 BZGMUFGLOQKNLN-SQJMNOBHSA-N 475.505 2.205 50 10 JEGE C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(S(=O)(=O)NNC(=O)CCOc3ccccc3)cc2)C1 728262618 HSASOLXTZMXZLK-ROUUACIJSA-N 495.623 2.132 50 10 JEGE O=C(NCc1ccc(OCc2ccccn2)cc1)NNC(=O)C1CCN(c2ncccn2)CC1 728946612 HLHLOPOJURFCGE-UHFFFAOYSA-N 461.526 2.198 50 10 JEGE COc1ccc(C(=O)NNC(=O)CC[C@@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)c(OC)c1 730751888 JRJYQGNZMGJAJQ-INIZCTEOSA-N 460.874 2.023 50 10 JEGE O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])NNC(=O)c1ccc(Br)cc1 1251713442 IETKHVZYIGYPDG-UHFFFAOYSA-N 455.652 2.202 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@@H](CBr)C(F)(F)F 1937309187 CMSLXIQRUYCEGT-LBPRGKRZSA-N 457.268 2.308 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H](Br)C2(CCOCC2)C1 2117750792 ZEKCQBXNGCLNHX-KRWDZBQOSA-N 485.400 2.269 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)Nc2cccc(B(O)O)c2)C1 2124518747 BREQDDZAXOXMGT-XMMPIXPASA-N 454.332 2.149 50 10 JEGE C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1)c1cccc(B(O)O)c1 2268646627 KMWHJUKFHXIMFF-FIKGOQFSSA-N 456.348 2.042 50 10 JEGE Nc1c(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cnc2ccc(Cl)cc12 32605627 CQAIPAYYGTYTPN-UHFFFAOYSA-N 473.942 2.330 50 10 JEGE C/C(=N/NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(OC(F)F)cc1 59516260 PPJVCMCRSKLLKO-UCQKPKSFSA-N 453.467 2.463 50 10 JEGE Cc1ccc(C)c(OCC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1 1860769761 GZSXMQFUZNECTM-AWEZNQCLSA-N 454.552 2.426 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H]1CC[C@H](Br)C1 2000540409 FFQLLTAEYKXGPY-VBHSOAQHSA-N 461.353 2.494 50 10 JEGE Cc1cc(B(O)O)c(CN(C)C(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)s1 2268652418 GVDBDOKUVPAJSW-OXJNMPFZSA-N 476.404 2.193 50 10 JEGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)ccc1Br 12502115 XSSJHPVWAXXUOY-UHFFFAOYSA-N 467.301 2.380 50 10 JEGE COc1ccc(C(=O)NNC(=O)c2cn(C)c3ccccc23)cc1S(=O)(=O)NC(C)(C)C 15092983 CFECNHXYGUBBCT-UHFFFAOYSA-N 458.540 2.339 50 10 JEGE Cn1cc(C(=O)N/N=C/C2=C(N3CCOCC3)/C(=C\c3ccc([N+](=O)[O-])cc3)CC2)ccc1=O 32696036 SHROIUXTOSXMGU-NXYUMHSSSA-N 463.494 2.473 50 10 JEGE CCOc1ccc(-c2c(C(=O)NN=Cc3ccc(OC)c(OC)c3)nnn2-c2nonc2N)cc1 254698440 HZODJNVOTKQYCM-UHFFFAOYSA-N 478.469 2.079 50 10 JEGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)N2CCCN(C(=O)C(C)C)CC2)cc1 727739056 GEMKPXFJUJVRGP-HKWRFOASSA-N 492.580 2.058 50 10 JEGE CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NNC(=O)Nc2ccc(C)cc2Cl)cc1 1639387652 NNTHODCJICSOJD-UHFFFAOYSA-N 452.920 2.372 50 10 JEGE O=S(=O)(NCCOCCCI)[C@H]1C[C@H](OCc2ccccc2)C1 1977074304 ZUGKQRQFSNJLAB-WKILWMFISA-N 453.342 2.495 50 10 JEGE CC(C)(C)OC(=O)N1CC2(CCC[C@H]2NS(=O)(=O)N2CCC(Br)CC2)C1 2106298077 JNHFVZWYRIICID-CQSZACIVSA-N 452.415 2.470 50 10 JEGE O=C(c1ccc(I)c(O)c1)N1C[C@H]2COC[C@@H](C1)C2Br 2167771462 ZCGAUMLWGCCSCT-HWYHXSKPSA-N 452.086 2.479 50 10 JEGE O=C(NCCN=c1ccc(B(O)O)c(C(F)(F)F)[nH]1)OCC1c2ccccc2-c2ccccc21 2217179532 MBVKYHQQCBLLLG-UHFFFAOYSA-N 471.244 2.153 50 10 JEGE Cc1csc(CN(C)C(=O)C[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)c1B(O)O 2268709082 BBFMQEBDNDVQPT-GOSISDBHSA-N 476.404 2.195 50 10 JEGE N#C/C(=C\c1c(N2CCC3(CC2)OCCO3)nc2ccccn2c1=O)C(=O)NC1CCCCC1 34990376 KLQQYZMACQDLQC-FBMGVBCBSA-N 463.538 2.394 50 10 JEGE O=C(CNC(=O)c1ccc2c(c1)OCCO2)NN=C1C(=O)N(Cc2ccccc2)c2ccccc21 263628841 BVAKKTXJNSQEOX-UHFFFAOYSA-N 470.485 2.255 50 10 JEGE CNS(=O)(=O)c1cccc([C@H](C)NC(=O)NNC(=O)c2ccc(Br)cc2)c1 1318205877 CPARGPDQICGUKH-NSHDSACASA-N 455.334 2.062 50 10 JEGE CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NNC(=O)c2cc3ccccc3o2)cc1 1435324309 LNBWOPZMRDVROO-UHFFFAOYSA-N 457.508 2.497 50 10 JEGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(CS(C)(=O)=O)c(F)c2)cc1 1659826241 OIHSKONLPPRHNM-CYBMUJFWSA-N 451.476 2.193 50 10 JEGE Cn1ncc([C@H](Br)CS(=O)(=O)N2CCCCC2)c1I 2089398925 WVXWZFCCANHIMN-SNVBAGLBSA-N 462.151 2.276 50 10 JEGE O=C(O)c1cc(S(=O)(=O)NC2CC(Br)C2)ccc1I 2126744593 HQQSWABZRVDJHB-UHFFFAOYSA-N 460.087 2.194 50 10 JEGE CC(C)(C)OC(=O)N1CC(C)(C)OC[C@@H]1CNS(=O)(=O)N1CCC(Br)CC1 2194654830 XKHJHRSHLYDVLW-AWEZNQCLSA-N 470.430 2.095 50 10 JEGE CC(C)(C)OC(=O)NCc1nc(CNS(=O)(=O)N2CCC(Br)CC2)cs1 2271173417 RGVPJSUOZPNHIZ-UHFFFAOYSA-N 469.427 2.362 50 10 JEGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(F)cc2CS(C)(=O)=O)cc1 1215760926 BGELSLLDJMIUDH-CYBMUJFWSA-N 451.476 2.193 50 10 JEGE CC(=O)N1CCN(c2ccc(C(=O)NNc3ccc(C(F)(F)F)cn3)cc2[N+](=O)[O-])CC1 1296679143 TWCSGXVTQBHIDP-UHFFFAOYSA-N 452.393 2.434 50 10 JEGE COc1cccc(OCC(=O)NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)c1 1860771009 GHNIZVOWWJYBON-UHFFFAOYSA-N 464.503 2.360 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1CC[C@@H](CBr)C1 2000540032 CSKFFSUVCDZDFA-VFVRVIDISA-N 461.353 2.494 50 10 JEGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNS(=O)(=O)CCOCCCl)C1 2025231226 CVXWOYKQSPLRGV-IBGZPJMESA-N 476.039 2.283 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCO[C@@H]2C[C@@H](Br)C[C@@H]21 2128885049 RSRYFTPJIWQTTR-RRQGHBQHSA-N 485.400 2.265 50 10 JEGE CS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2cc(CBr)sc2Br)C1 2179914013 MMNFBILVXMVDIR-QMMMGPOBSA-N 467.226 2.213 50 10 JEGE C[C@@H](c1nscc1B(O)O)N(C)C(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 2319026641 LGGOFSFUJBYLGW-HNNXBMFYSA-N 491.378 2.414 50 10 JEGE O=C(CSc1n[nH]c(N/N=C/c2c[nH]c3ccccc23)n1)NNC(=O)c1ccc(F)cc1 20923342 XVRXLCAUKUDGMB-AUEPDCJTSA-N 452.475 2.424 50 10 JEGE COc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)NN3CCN(C)CC3)N(c3ccccc3)C2=O)cc1 102976618 FYJXRORRTKXRCR-JSIHEXFSSA-N 477.590 2.400 50 10 JEGE CN(/C=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 216500522 UCTZUQPRLMYPPP-MPMADDBASA-N 478.618 2.447 50 10 JEGE CC[C@@H](C)[C@H](CI)NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O 1900341275 KBYUEENFSLEROY-RISCZKNCSA-N 464.325 2.052 50 10 JEGE CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](OC[C@H]2C[C@H](S(C)(=O)=O)C2)C1 1905176392 OZDLDCKYPWREIP-CYDGBPFRSA-N 459.346 2.249 50 10 JEGE Cn1ncc(C(=O)N2C[C@H](Br)[C@H](Br)C2)c1I 1990930344 MPUINWKMPZSTNB-KNVOCYPGSA-N 462.911 2.008 50 10 JEGE CC(C)(C)OC(=O)NC[C@]1(F)C[C@H](CNS(=O)(=O)N2CCC(Br)CC2)C1 2111941246 OUJYSHUJZSVZMV-YGUOUDRMSA-N 458.394 2.323 50 10 JEGE O=S(=O)([C@H]1C[C@@H](CBr)C1)N1CC[C@@H](N2CCN(Cc3ccccc3)CC2)C1 2179834698 LMCBRGZSWZNAAX-AQNXPRMDSA-N 456.450 2.382 50 10 JEGE Cn1ncc(C(=O)N2C[C@H]3OCCC[C@@]3(CBr)C2)c1I 2239178818 GMCBDMCCXMHXAN-ZWNOBZJWSA-N 454.106 2.041 50 10 JEGE Nc1nonc1-n1nnc(-c2ccccc2)c1C(=O)N/N=C/c1ccc(Br)s1 27500523 UFGBDWRYGHGNNM-UFWORHAWSA-N 459.289 2.487 50 10 JEGE CC(=O)N1CCN(CCOc2ccc(CCNC(=O)[C@]3(C)C[C@H]3Br)cc2)CC1 1136576046 ULLCQMUXOSRQCH-TZIWHRDSSA-N 452.393 2.062 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2C[C@H]1[C@H]2CBr 2024034552 IWXLBQANUODXAX-KCXAZCMYSA-N 455.374 2.354 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2C[C@H](Br)C[C@H]2C1 2065403925 QWBSJBQXUQPITD-UMCXVIDHSA-N 473.364 2.446 50 10 JEGE COc1ccc(C=CC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1OC 2325888090 COQOWZXRWRQMLR-UHFFFAOYSA-N 468.535 2.215 50 10 JEGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1c(F)cccc1B(O)O 2339880581 GWQOYSOECXIFMS-VWLOTQADSA-N 490.340 2.482 50 10 JEGE Cc1ccc(NC(=O)C[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)c(F)c1B(O)O 2352967021 JIMVMVSQWMZAEY-KRWDZBQOSA-N 460.311 2.253 50 10 JEGE COCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C2CC2)cc1 14660660 BHGXRSWNSXZGAG-UHFFFAOYSA-N 456.524 2.010 50 10 JEGE C=CCCCO[C@@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](O)[C@H](O)[C@@H]1O 197680443 MPZDRGKKJAEYSG-PUHDZGQXSA-N 486.681 2.353 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2C[C@@H]2[C@@H]1CBr 1910402748 LWEWRRPLINNCDN-HEWDHTHVSA-N 459.337 2.056 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC2CC1(CBr)C2 2000533030 OEHDKVSXGGKMQQ-KQJRHQORSA-N 459.337 2.200 50 10 JEGE C[C@@H](c1cc(B(O)O)cs1)N(C)C(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2268698580 BVPUKOCJHJCPHZ-QFBILLFUSA-N 476.404 2.448 50 10 JEGE CCc1cc(B(O)O)ccc1NC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2283950147 IBGIKRJYTKGDBT-RUZDIDTESA-N 467.375 2.037 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H](Br)[C@H]2COC[C@@H]21 2338849779 LVWSSAWPMVDVME-SQNIBIBYSA-N 485.400 2.267 50 10 JEGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@H]2COC[C@]2(CBr)C1 2364015222 NMSIWOVMHFGBOE-MADCSZMMSA-N 471.975 2.429 50 10 JEGE C[C@H](Oc1c(I)cc(Cl)cc1I)C(=O)NN 380498931 CQGGPJYHMKCWNH-BYPYZUCNSA-N 466.444 2.306 50 10 JEGE CC(=O)N1CCN(c2ccc(C(=O)N(C)NC(=O)OCc3ccccc3)cc2[N+](=O)[O-])CC1 1585165656 COQJAIIPBBZWGY-UHFFFAOYSA-N 455.471 2.177 50 10 JEGE Cc1cccc(B(O)O)c1C(=O)NCCCONC(=O)OCC1c2ccccc2-c2ccccc21 2255513656 VLBHFPIZTSSTJO-UHFFFAOYSA-N 474.322 2.265 50 10 JEGE CN(NC(=O)c1cc(Br)ccc1I)S(=O)(=O)C1CC1 2339769827 RXUZYQRJAYGUKP-UHFFFAOYSA-N 459.103 2.123 50 10 JEGE C=CCC1(C(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)CCOCC1 1540370381 NHALOHHYIALUHY-UHFFFAOYSA-N 457.552 2.299 50 10 JEGE COC(=O)c1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)c(C)c2)cc1 10455797 DWVQVWDXCRTXRT-UHFFFAOYSA-N 480.340 2.259 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCOC[C@H]1CCBr 703967649 QUEPYWPONVDMRO-CQSZACIVSA-N 473.389 2.124 50 10 JEGE Cc1cc(/C=C(/C#N)C(=O)OCC(=O)NCCCN(C)S(C)(=O)=O)c(C)n1-c1ccc(F)cc1 918956971 GLEWEAMALDIZIC-UYRXBGFRSA-N 490.557 2.081 50 10 JEGE COc1ccc(C=NNC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(O)c(OC)c2)c(OC)c1 1084071565 HTFAKTICUWWEFQ-HXUWFJFHSA-N 456.524 2.361 50 10 JEGE O=C(CN1CCOCC1)NN=C1C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 1084229153 CHMRSSJSEULAEZ-UHFFFAOYSA-N 471.355 2.191 50 10 JEGE COc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)cc1Cl 1084575233 PGGYRRNMZJZKFD-SFHVURJKSA-N 488.928 2.111 50 10 JEGE CC(=O)N1CCN(CCOc2ccc(CCNC(=O)[C@@]3(C)C[C@@H]3Br)cc2)CC1 1136576044 ULLCQMUXOSRQCH-FPOVZHCZSA-N 452.393 2.062 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H](CBr)OCC12CC2 2127556312 UEOADISENLASIK-OAHLLOKOSA-N 485.400 2.411 50 10 JEGE CC(C)(C)OC(=O)N1CCS(=O)(=O)CCN1S(=O)(=O)c1ccc(CBr)cc1 2163052111 ZPHOOTZXCWHPRT-UHFFFAOYSA-N 483.406 2.153 50 10 JEGE C[C@]12CN(Cc3ccccc3)C[C@H]1CN(S(=O)(=O)c1cnn(CCBr)c1)C2 2179818441 ZNZXBGZPHVVELZ-PKOBYXMFSA-N 453.406 2.421 50 10 JEGE O=C(NCCNC(=O)c1cc(B(O)O)c(F)cc1Cl)OCC1c2ccccc2-c2ccccc21 2249387753 CGHQSMNKZXFHOT-UHFFFAOYSA-N 482.704 2.427 50 10 JEGE O=C(c1csc(I)c1)N1CCn2c(CBr)nnc2C1 2115149251 ADGOPURJOUUUPG-UHFFFAOYSA-N 453.103 2.495 50 10 JEGE Cc1cc(NC(=O)C2CC(Br)C2)c(I)cc1S(N)(=O)=O 2240638369 TYAZVSYKHVDOQL-UHFFFAOYSA-N 473.130 2.359 50 10 JEGE Cc1csc(CN(C)C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)c1B(O)O 2268634868 LBZYANKZKZUCNU-JXFKEZNVSA-N 476.404 2.193 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)Nc2ccc(Cl)c(B(O)O)n2)C1 2283985514 JWUMZXOBSLSMBB-QHCPKHFHSA-N 489.765 2.197 50 10 JEGE Cc1cc(F)c(B(O)O)cc1C(=O)NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2285951782 BZHOMZNZPDILFL-UHFFFAOYSA-N 462.330 2.015 50 10 JEGE COC(=O)c1ccc(C(=O)OC)c(NC=C(C#N)C(=O)NCCc2ccc(OC)c(OC)c2)c1 2324718591 YLPKIOOUVCORPC-UHFFFAOYSA-N 467.478 2.455 50 10 JEGE CN1CCN(C(=O)c2c(Br)c(Br)nn2C)[C@@H](CBr)C1 2338863795 OISNILZWSNHHDI-ZETCQYMHSA-N 458.980 2.096 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2COC[C@@H](C1)[C@@H]2Cl 2364216917 SENPGCLCAAYUHV-MNZLEMJZSA-N 454.976 2.358 50 10 JEGE COc1ccc(N2CCN(CCNC(=O)NNC(=O)c3cc(C)nc4ccccc34)CC2)cc1 743362548 FOOZXVHOJJAPKB-UHFFFAOYSA-N 462.554 2.318 50 10 JEGE Nn1c(SCCCC(=O)NN=Cc2ccco2)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084599015 UWHVZYHQOXFRRK-UHFFFAOYSA-N 460.432 2.091 50 10 JEGE C=CCNS(=O)(=O)c1ccc(CC(=O)NNC(=O)c2cc3c(s2)CC[C@@H](C)C3)s1 1628479412 ZUGSTZWAWKOVHV-GFCCVEGCSA-N 453.611 2.402 50 10 JEGE CCn1c(=O)c(C(=O)C(C#N)=Cc2ccc(C(=O)OC)cc2)c(N)n(Cc2ccccc2)c1=O 2040461601 YNDLISPJLVPZNK-UHFFFAOYSA-N 458.474 2.237 50 10 JEGE C[C@@H](NC(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1)c1nscc1B(O)O 2302679285 KXQALFFZTTUKED-CQSZACIVSA-N 477.351 2.071 50 10 JEGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(OC)c(B(O)O)c1 2339945962 ZRSFGVVIMJVMJO-XMMPIXPASA-N 488.349 2.309 50 10 JEGE Nn1c(SCCCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)nnc1-c1cccc([N+](=O)[O-])c1 58986929 LEHOXIFBRGLTGM-CIAFOILYSA-N 470.471 2.498 50 10 JEGE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2cc(Cl)ccc2B(O)O)CCN(Cc2ccccc2)C1 2268632740 NCOMPCQMYASKHH-HSZRJFAPSA-N 473.766 2.128 50 10 JEGE CC[C@@]1(NC(=O)c2scc(B(O)O)c2Cl)CCCN(C(=O)OCc2ccccc2)C1 2282470310 UHUSTWIENNGEBZ-HXUWFJFHSA-N 450.753 2.393 50 10 JEGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCc2c(B(O)O)cccc21 2283954675 ASURSAOPYUOUBJ-HTAPYJJXSA-N 468.359 2.144 50 10 JEGE COc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OC)c(I)c2)cc1 12502950 BUFNILHXVLAOLG-UHFFFAOYSA-N 485.303 2.258 50 10 JEGE O=C(NNc1ncnc(N2CCN(c3ccccc3)CC2)c1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 40610850 TVSBGKFKJVCUJK-UHFFFAOYSA-N 464.442 2.377 50 10 JEGE Nc1nonc1-n1nnc(C(=O)NN=Cc2cccc([N+](=O)[O-])c2)c1CSc1ccccc1 254617089 IJNSMQFBFSHOKI-UHFFFAOYSA-N 465.455 2.197 50 10 JEGE CN(C)c1ccc(N2C(=N/C=C(\C#N)C(=O)NCc3ccco3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 254913849 YKPRLWIICIYNIW-SRAIRRDKSA-N 485.591 2.144 50 10 JEGE C=CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cc(-c3ccc(C)c(C)c3)[nH]n2)cc1 1153199648 YKRLEOYVFIEVCN-UHFFFAOYSA-N 453.524 2.233 50 10 JEGE CC(=O)[C@@H]1CC(C(=O)NNC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)=NN1c1ccccc1 1449364631 WCUAFROXHHDYRU-APWZRJJASA-N 457.531 2.005 50 10 JEGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1C(=NNC(=O)c1cccnc1)CCC2 1772745503 CRIYECVNUJZYPF-UHFFFAOYSA-N 476.449 2.436 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H]2COC[C@]2(CBr)C1 2226183806 USEMLDDWNZQMPV-YWZLYKJASA-N 485.400 2.126 50 10 JEGE O=C(NOCCCNC(=O)c1csc(B(O)O)c1)OCC1c2ccccc2-c2ccccc21 2243356251 DSMKOUFCCMLWNV-UHFFFAOYSA-N 466.324 2.018 50 10 JEGE CC(C)(C)OC(=O)N1CC(F)(F)[C@@](C)(NS(=O)(=O)N2CCC(Br)CC2)C1 2336393170 XBVDPNJBKRRSQY-AWEZNQCLSA-N 462.357 2.325 50 10 JEGE N#Cc1ccccc1-c1nnn(CC(=O)NN=Cc2ccc(Br)c([N+](=O)[O-])c2)n1 252594005 BOINMXJFPQKHDC-UHFFFAOYSA-N 455.232 2.033 50 10 JEGE C[C@H](CC(CBr)(CBr)[C@H]1CCS(=O)(=O)C1)CS(C)(=O)=O 706480868 XKIKWCNZYCGVCB-MNOVXSKESA-N 454.246 2.268 50 10 JEGE C=CCNC(=S)NNC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 913435426 ABXFMCKTAILAND-UHFFFAOYSA-N 456.952 2.253 50 10 JEGE C#CCCOc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 1538393386 VJIYUORYPFLJHR-UHFFFAOYSA-N 455.536 2.338 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@](C)(CBr)C1CC1 2000543806 NSJCHGBUDPQTDR-ROUUACIJSA-N 461.353 2.494 50 10 JEGE C#CC[C@](C)(CBr)CNS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2025331224 LZLHDXSKVJNWED-LJQANCHMSA-N 455.374 2.407 50 10 JEGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2cc(B(O)O)ccc21 2248397388 KOOLCBBADSLESJ-INIZCTEOSA-N 456.307 2.183 50 10 JEGE O=C(COc1ccccc1)NCC(=O)N/N=C1/C(=O)N(CCc2ccccc2)c2ccccc21 100431858 AUTQBLLDTMCHPU-XLVZBRSZSA-N 456.502 2.291 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC1(CBr)CCOCC1 2108226943 BTXJZRJRUVZJCB-GOSISDBHSA-N 491.379 2.122 50 10 JEGE O=S(=O)([C@H](CBr)C1CC1)N1CC[C@@H](N2CCN(Cc3ccccc3)CC2)C1 2179831179 UHOGFBDPWVDOIK-WOJBJXKFSA-N 456.450 2.382 50 10 JEGE NNC(=O)[C@H]1CC[C@@H](COCc2ccc(I)c(Br)c2)O1 2377634341 HQEQBRJPDKNECB-JOYOIKCWSA-N 455.090 2.108 50 10 JEGE COc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2I)cc1 12501543 VLQAAHNVOWBFMZ-UHFFFAOYSA-N 455.277 2.249 50 10 JEGE COCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccccc1 14662980 BYJSXBSGUKYZLR-UHFFFAOYSA-N 452.330 2.424 50 10 JEGE O=C(CNC(=O)c1ccccc1F)N/N=C1/C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21 100409560 GTPBOQWVOHKVIB-BYNJWEBRSA-N 474.448 2.352 50 10 JEGE CCOC1=CC=C/C(=C/NNC(=O)c2ccc(C(=O)NN/C=C3/C=CC=C(OCC)C3=O)cc2)C1=O 135985874 UNRMKWQROHQEOU-IKBKFCNISA-N 490.516 2.042 50 10 JEGE CCOc1cc(C=NNC(=O)c2c(C)nnn2-c2nonc2N)ccc1OCc1cccc(F)c1 254872147 IUXGYJRNSOFHLN-UHFFFAOYSA-N 480.460 2.422 50 10 JEGE CO[C@@H]1C[C@H](CBr)N(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2029232888 MTJVLFQXBGFMBT-HUUCEWRRSA-N 473.389 2.267 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@]1(CBr)CCCOC1 2108227708 JTIKTRGAWNETRD-RTBURBONSA-N 491.379 2.122 50 10 JEGE CC(C)(C)OC(=O)N[C@@]1(C(=O)Nc2cc(B(O)O)ccc2Cl)CCN(Cc2ccccc2)C1 2268719171 ZUYXVZIRDYXIAS-QHCPKHFHSA-N 473.766 2.128 50 10 JEGE Nn1c(SCC(=O)N/N=C/c2cccc(Cl)c2)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 58990576 FVHIHGIWBVIJHN-DNTJNYDQSA-N 476.862 2.371 50 10 JEGE O=C(CN1C(=O)C(=NNC(=O)c2ccccc2O)c2ccccc21)Nc1cccc([N+](=O)[O-])c1 254349807 ZDTJPCAQMKRASN-UHFFFAOYSA-N 459.418 2.420 50 10 JEGE O=C(NN=Cc1ccccc1OCC(=O)N1CCOCC1)C(=O)Nc1cccc(C(F)(F)F)c1 254555129 XNMTXXLHNDZPBO-UHFFFAOYSA-N 478.427 2.032 50 10 JEGE O=C(NN=C1C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21)c1ccccc1O 1084229038 GWDGSLYPAJDARA-UHFFFAOYSA-N 454.442 2.169 50 10 JEGE Nn1c(SCCCC(=O)NN=Cc2ccc(O)cc2)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084373209 SWFIICRPKHHPHN-UHFFFAOYSA-N 486.470 2.204 50 10 JEGE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNc3ccc(F)cc3Cl)cc2)CC1 1646173850 FXAVBSMSRJVBNL-UHFFFAOYSA-N 454.911 2.089 50 10 JEGE C=C[C@@]1(CBr)COCCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2135126707 IDGANQIWLLCCAM-HXUWFJFHSA-N 485.400 2.291 50 10 JEGE O=S(=O)(N1CCC(Br)CC1)N1CC[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2185518315 ZTDJGSMSCQKGEL-MOPGFXCFSA-N 458.422 2.066 50 10 JEGE O=C(O)c1cc(S(=O)(=O)NCC2CC(Br)C2)ccc1I 2196891580 TZGPJIZDDZEVAI-UHFFFAOYSA-N 474.114 2.441 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC=C[C@]1(C)CBr 2215694309 VQDCJDZSQPONOP-ZWKOTPCHSA-N 459.337 2.366 50 10 JEGE Cc1cc(CN(C)C(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc2ccccc2)sc1B(O)O 2268634704 JOZLEPJASZIKSR-VQIMIIECSA-N 476.404 2.193 50 10 JEGE Cc1ccccc1Oc1nc2ccccn2c(=O)c1C=C(C#N)C(=O)N[C@H]1CCS(=O)(=O)C1 2296846518 SZODIPGQAJQVJH-KRWDZBQOSA-N 464.503 2.006 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC(F)(F)C(F)(F)CCl 2336527515 QOGYAHKXZUXXJZ-AWEZNQCLSA-N 462.824 2.440 50 10 JEGE COc1cc(C=NNC(=O)c2c(C)nnn2-c2nonc2N)ccc1OCc1ccccc1C 254381859 QYFVFQGBAGULLO-UHFFFAOYSA-N 462.470 2.201 50 10 JEGE CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NNC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)C1 769659916 MJMQDCAPZDEDBM-MRXNPFEDSA-N 488.566 2.143 50 10 JEGE O=C(CSc1n[nH]c(NN=Cc2cccc(Cl)c2Cl)n1)NNC(=O)C(F)(F)F 1084526491 JESDXGRLUJZIEM-UHFFFAOYSA-N 456.237 2.359 50 10 JEGE O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)NNC(=O)c1ccc(Br)o1 1860771529 ZKEVTDAUEXQVAU-UHFFFAOYSA-N 451.302 2.154 50 10 JEGE CN(CC[S@](C)(=O)=NS(=O)(=O)N1CCC(Br)CC1)C(=O)OC(C)(C)C 2044693162 IGJVMTPFHRXLSG-DEOSSOPVSA-N 462.432 2.055 50 10 JEGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(B(O)O)ccn1 2248396787 DTNJTAWMDFPDBX-QHCPKHFHSA-N 459.311 2.263 50 10 JEGE Cc1cc(B(O)O)ccc1S(=O)(=O)NCCCN(Cc1ccccc1)Cc1ccccc1 2255757392 UVQJCTJTQHTMCR-UHFFFAOYSA-N 452.385 2.046 50 10 JEGE COC(=O)[C@@H](I)CNS(=O)(=O)c1cc(Br)sc1C 234613913 INELPVBZSNIDPV-LURJTMIESA-N 468.132 2.074 50 10 JEGE CC(=O)c1ccc(C(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)cc1O 1136034353 WNBSNQMZVSEPRS-UHFFFAOYSA-N 456.462 2.371 50 10 JEGE CC(=O)N[C@H](C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1)c1cccc(Br)c1 1638062896 IVXOPXPSARZQDK-DIFFPNOSSA-N 452.280 2.380 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1CCOC[C@H]1CBr 2072947538 PSWGHKXNQUGKKA-CJNGLKHVSA-N 473.389 2.028 50 10 JEGE CCCN1CC[C@@H]([C@@H](Br)c2cnn(C)c2I)S1(=O)=O 2089514012 IDVMQOTYFSEDCA-UWVGGRQHSA-N 462.151 2.275 50 10 JEGE Cc1cnc(Nc2cc(I)cc(I)c2)cc1B(O)O 2231644305 BPOFOBLYWBFRMM-UHFFFAOYSA-N 479.852 2.023 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H]1CC[C@H](CBr)CO1 2264703471 IPCMVQQXIQEPIF-HUUCEWRRSA-N 487.416 2.418 50 10 JEGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)N[C@@H]3CCS(=O)(=O)C3)c(Oc3ccccc3F)nc12 2296721728 IRPKWNNGCZKMFR-MRXNPFEDSA-N 482.493 2.145 50 10 JEGE COCCn1cc(/C=N/NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)cn1 59913911 RLVUQYOQIYZFKZ-WYMPLXKRSA-N 462.539 2.415 50 10 JEGE CC(C)Oc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2-c2ccc3c(c2)OCO3)cc1 254734194 DUPMBZXNIZKZDE-UHFFFAOYSA-N 476.453 2.179 50 10 JEGE C=CCc1cccc(C=NNC(=O)CSc2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2N)c1O 1084329730 VZJPKQWFEVDRHN-UHFFFAOYSA-N 498.481 2.152 50 10 JEGE C#CCCCC(=O)NNC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCc3ccccc32)c1 1597394071 LYRCDUSCJYKULL-UHFFFAOYSA-N 455.536 2.401 50 10 JEGE Cc1ccn2cc(C(=O)NNC(=O)Cn3cnc4sc5c(c4c3=O)CC[C@@H](C)C5)nc2c1 1860770098 STLWUNWGIYXNQR-GFCCVEGCSA-N 450.524 2.000 50 10 JEGE C[C@@H](NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O)C1(CBr)CC1 2000533564 RDKCQYKYJDJPGV-PXAZEXFGSA-N 461.353 2.494 50 10 JEGE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)CI)CC2(CCOCC2)C1 2007719055 HRWPRTPWKMUPTG-GFCCVEGCSA-N 474.361 2.105 50 10 JEGE O=C(NCCC(=O)N1CCc2ccc(B(O)O)cc2C1)OCC1c2ccccc2-c2ccccc21 2257363926 COFNBTNONJUJKG-UHFFFAOYSA-N 470.334 2.180 50 10 JEGE Cc1sc(C(=O)NC2(CNC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)cc1B(O)O 2281852559 ZFOHEEPARNWYDZ-UHFFFAOYSA-N 487.431 2.026 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1CC[C@@H]2C[C@]12CBr 2310668601 PVLBSQBLGGTACA-JJYIYXIDSA-N 473.364 2.494 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1CC[C@@H]2C[C@]12CBr 2310668602 PVLBSQBLGGTACA-NHAHKUSKSA-N 473.364 2.494 50 10 JEGE CC(C)[C@@H]1C[C@@H](Oc2ncc(Br)cc2B(O)O)CN1C(=O)OCc1ccccc1 2344602837 KKWFSPHNTFTDGQ-AEFFLSMTSA-N 463.137 2.338 50 10 JEGE COc1ccc(C(=O)NC(=S)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1Br 12570459 AQEKDHYZXVKTOY-UHFFFAOYSA-N 498.355 2.433 50 10 JEGE CC(=NNC(=O)c1nn(CCC(C)C)c(=O)c2ccccc12)c1ccc(S(N)(=O)=O)cc1 916335404 RVXZZCLEKXVNPV-UHFFFAOYSA-N 455.540 2.244 50 10 JEGE O=C(CC(=O)NN=Cc1ccc(OCC(=O)NC2CCCCC2)cc1)NCc1cccnc1 1084334381 VCFXMPFBUSAQJK-UHFFFAOYSA-N 451.527 2.066 50 10 JEGE CC(C)(C)OC(=O)N1C[C@H](OC[C@H]2C[C@@H](S(C)(=O)=O)C2)[C@H](I)C1 1905176397 OZDLDCKYPWREIP-XQHKEYJVSA-N 459.346 2.249 50 10 JEGE COC[C@@H](Br)CN(C)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942089463 QDILFSBYWRWYDP-AWEZNQCLSA-N 461.378 2.124 50 10 JEGE COC[C@]1(CNS(=O)(=O)CI)CCCCN1C(=O)OC(C)(C)C 1983326581 CBPSDGYDIQWIRN-CQSZACIVSA-N 462.350 2.105 50 10 JEGE CC(C)(C)OC(=O)N1C[C@@H](I)[C@H](OC2CC(CS(C)(=O)=O)C2)C1 1995355389 ZTMQNZQNKQTOST-FIYWTHMPSA-N 459.346 2.249 50 10 JEGE CC1CC(CBr)(NS(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2000535125 YEFBQKSXTKRPTG-KQJRHQORSA-N 461.353 2.494 50 10 JEGE O=C(N1CCC[C@H](C2CCN(S(=O)(=O)CI)CC2)C1)C(F)(F)F 2007707633 IZBSGYBUASVKFR-NSHDSACASA-N 468.279 2.222 50 10 JEGE CO[C@H]1C[C@@H](CBr)N(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2029232887 MTJVLFQXBGFMBT-GJZGRUSLSA-N 473.389 2.267 50 10 JEGE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)S(=O)(=O)N1CCC(Cl)CC1 2217287893 OGWDMYWXXHEYTC-UHFFFAOYSA-N 485.047 2.286 50 10 JEGE COc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2I)cc1 12502792 MMQBGWVAKGMABJ-UHFFFAOYSA-N 455.277 2.249 50 10 JEGE CC[C@@H](Br)C(=O)Nc1nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2s1 170503400 OSKGMTHJVRVNTP-GFCCVEGCSA-N 461.407 2.344 50 10 JEGE CCOc1ccc(C)cc1[C@H](C)NC(=O)/C(C#N)=C\NCCc1ccc(S(N)(=O)=O)cc1 217186323 FGHJORQHGUGZPH-STZPCZCHSA-N 456.568 2.458 50 10 JEGE COc1cccc(C=NNC(=O)[C@H]2CCCN(C(=S)NN[C@H]3C[C@H]4C=C[C@H]3C4)CC2)c1O 254513480 KMHGIAGHSMGURL-DWRORGKVSA-N 457.600 2.297 50 10 JEGE COc1ccc(C=NNC(=O)CCCSc2nnc(-c3ccccc3O)n2N)c(OC)c1 1084560630 UKNMWGMDXSDJHT-UHFFFAOYSA-N 456.528 2.404 50 10 JEGE CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccncc2)cc1 1084581060 OOWZOUPJWJDUIR-UHFFFAOYSA-N 479.562 2.424 50 10 JEGE CC(C)(C)OC(=O)N1C[C@@H](C(F)(F)F)[C@@H](CNS(=O)(=O)CI)C1 1983328031 SPSLHCCPWVMFCV-DTWKUNHWSA-N 472.267 2.344 50 10 JEGE CC1(CBr)CC(NS(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2007014672 HWFODLQTIUYMLT-WQHGFJKVSA-N 461.353 2.494 50 10 JEGE CC(C)(C)OC(=O)N1CCN(CCCCCI)[C@@H]2CS(=O)(=O)C[C@H]21 2214697469 QHSSHPIGTBSALJ-ZIAGYGMSSA-N 472.389 2.310 50 10 JEGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2cc(B(O)O)ccc2C1 2256607025 YAIIKBZEMMUANP-QGZVFWFLSA-N 470.334 2.178 50 10 JEGE CC(C)(CI)CN1CCN2C(=O)[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C1 2306820213 BOITWVYKPQFDCU-OLZOCXBDSA-N 451.349 2.257 50 10 JEGE CCOc1ccc(C)cc1[C@H](C)NC(=O)C(C#N)=CN(CCN(C)C)[C@@H]1CCS(=O)(=O)C1 2325075094 IMHFPKIVENXGTP-AZUAARDMSA-N 462.616 2.029 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2COC[C@@H](C1)C2Cl 2364209419 SENPGCLCAAYUHV-MCPYQZEQSA-N 454.976 2.358 50 10 JEGE COC(=O)c1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(C)cc2Br)c1 10294096 MBNKXBCRSYYAPM-UHFFFAOYSA-N 480.340 2.259 50 10 JEGE CC(=O)[C@@H]1CC(C(=O)NNC(=O)COc2ccccc2Br)=NN1c1ccccc1 1537019489 ATRUJBHFZCBVNA-KRWDZBQOSA-N 459.300 2.199 50 10 JEGE C[C@H](C(=O)NNC(=O)Cc1ccccc1[N+](=O)[O-])n1cnc2sc3c(c2c1=O)CCCC3 1860772369 WXSCTXVMYWUXKY-GFCCVEGCSA-N 455.496 2.196 50 10 JEGE CN([C@@H](CCBr)C(F)(F)F)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 1984140608 UIMHZZDBFSFOKR-LBPRGKRZSA-N 457.268 2.260 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2C[C@H]1C[C@@H]2Br 2004621076 DJRZOHVQJHXIST-XHUUTOEUSA-N 459.337 2.198 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCO[C@@H]2C[C@H](Br)C[C@@H]21 2065591253 YKNQNAYEYLIUDN-XOKHGSTOSA-N 471.373 2.019 50 10 JEGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1ccccc1B(O)O 2248414717 OAZZAATYDPZTIZ-KRWDZBQOSA-N 458.323 2.252 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@@H]1CC[C@H](CBr)CO1 2253715628 LWHYFNDYCNOYND-CABCVRRESA-N 473.389 2.172 50 10 JEGE O=C(c1sccc1I)N1C[C@@H]2OC[C@@H](CBr)O[C@@H]2C1 2265141773 JYYFSNYATMPLTH-FKTZTGRPSA-N 458.115 2.356 50 10 JEGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2c(N3CCN(C)CC3)nc3c(C)cccn3c2=O)cc1 2297462159 HRZIKHFUKPSGLA-UHFFFAOYSA-N 463.563 2.402 50 10 JEGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)cc1 2313862403 TUEVIAPPPRCOKA-UHFFFAOYSA-N 486.506 2.276 50 10 JEGE COc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(C)c(Br)c2)cc1 13979284 YQDXKCWNIXUXOR-UHFFFAOYSA-N 452.330 2.481 50 10 JEGE NS(=O)(=O)c1ccc(CNC(=S)NNC(=O)c2ccccc2OCc2ccc(F)cc2)cc1 726437145 UVCMUDXCTNJCQA-UHFFFAOYSA-N 488.566 2.361 50 10 JEGE Cc1nn(-c2ccccc2)c(N2CCOCC2)c1C=NNC(=O)CCCSc1nnc(N)s1 1084037006 CHYCCUILCMDKSB-UHFFFAOYSA-N 486.627 2.474 50 10 JEGE CC(=O)N(c1ccc(NC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1)[C@@H]1C[C@@H]1C 1562845206 JKMSNYBDPUGDHH-MGPUTAFESA-N 451.531 2.307 50 10 JEGE O=C(NNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1)c1cccnc1 1858002081 FPGVYCWXMSVEHY-UHFFFAOYSA-N 457.339 2.250 50 10 JEGE C[C@](CBr)(NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O)C1CC1 2000543805 NSJCHGBUDPQTDR-QZTJIDSGSA-N 461.353 2.494 50 10 JEGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ncccc1B(O)O 2009713552 BTCCFDJTBJGJBQ-JOCHJYFZSA-N 459.311 2.263 50 10 JEGE CN(C)C[C@@H]1C[C@H](Br)CN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2122373714 FMOYDUJRXISBIV-GJZGRUSLSA-N 486.432 2.038 50 10 JEGE O=C(NCCNC(=O)c1cc(Cl)ccc1B(O)O)OCC1c2ccccc2-c2ccccc21 2243412969 WWWKYZKDWQOQFX-UHFFFAOYSA-N 464.714 2.288 50 10 JEGE COc1ccc(OC)c(NC(=O)C(=O)N/N=C(\C)CC(=O)Nc2ccc(NC(C)=O)cc2)c1 106384473 KVFITNCOTUPADV-LGJNPRDNSA-N 455.471 2.122 50 10 JEGE COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1OC 217175891 WOYPYFSUSFCXLC-FBKQIBBUSA-N 484.578 2.295 50 10 JEGE COc1cc(C(=O)NN=C2C(=O)N(CCCC#N)c3ccccc32)c([N+](=O)[O-])c(OC)c1OC 254297104 JYPSQINNFMDJMM-UHFFFAOYSA-N 467.438 2.405 50 10 JEGE CCN(C[C@@H]1CCOC1)C(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1ccc(OC)cc1 920850065 AUFFDASBGGHPCC-LSPINASFSA-N 451.527 2.226 50 10 JEGE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)NNC(=O)CO)ccc1Cl 1472537162 FQDCAWQJMXXEPH-UHFFFAOYSA-N 458.323 2.128 50 10 JEGE C=CCNS(=O)(=O)c1cc(C(=O)NNC(=O)[C@@H](C)Oc2cccc(Cl)c2)ccc1F 1639834946 QZUORYVZIQDHHU-GFCCVEGCSA-N 455.895 2.172 50 10 JEGE O=C(N[C@H]1CS(=O)(=O)C[C@H]1Br)c1cc(Cl)ccc1I 2121336107 DXLBLGBMQZJYBC-SCZZXKLOSA-N 478.533 2.235 50 10 JEGE CC(=O)c1cc(Br)ccc1OCC(=O)NNC(=O)CCCNC(=O)C(C)(C)C 1461588209 IOEPWJFEOVRWGR-UHFFFAOYSA-N 456.337 2.120 50 10 JEGE C/C(=C\c1ccccn1)C(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 1540443752 NDYBQZYIJKMTPS-SAPNQHFASA-N 450.520 2.425 50 10 JEGE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNc3cccc4c3CCCC4)c2)CC1 1636803332 QCNFWUUQMSPFPI-UHFFFAOYSA-N 456.568 2.175 50 10 JEGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)Cc4ccccc4[N+](=O)[O-])c(=O)c23)C1 1860771118 KJFYUPDLIQHART-QWHCGFSZSA-N 469.523 2.442 50 10 JEGE CSCC[C@@H](C(=O)N1CCC[C@@H](C(=O)NNc2ccccn2)C1)N1C(=O)c2ccccc2C1=O 1873777312 FEFOENGCHLHXQB-APWZRJJASA-N 481.578 2.181 50 10 JEGE Cc1cccc(NC(=O)CN2C(=O)/C(=N\NC(=O)C(=O)Nc3ccc(C(=O)O)cc3)c3ccccc32)c1 1921902 WJEDKNJNAIOXAE-IADYIPOJSA-N 499.483 2.138 50 10 JEGE CC(C)C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 13985337 AGFSKWNVPJWJCF-UHFFFAOYSA-N 474.455 2.047 50 10 JEGE Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1cccc(OCc2cscn2)c1 16203004 KSJUJIBFUPZJJW-UHFFFAOYSA-N 459.553 2.398 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC=C[C@@H]1CBr 2011250874 JFGQAEUQYAVRSC-ACJLOTCBSA-N 459.337 2.366 50 10 JEGE COC(=O)C1(NS(=O)(=O)c2ccc(CBr)cc2)CN(C(=O)OC(C)(C)C)C1 2162587798 XQCFAYWHZZVFBF-UHFFFAOYSA-N 463.350 2.022 50 10 JEGE Cc1cc(CN(C)C(=O)C[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)sc1B(O)O 2268681542 ULFNWZWNRIPUKI-SFHVURJKSA-N 476.404 2.195 50 10 JEGE CC(C)(CI)CN1CCNC(=O)[C@H]1C1CN(C(=O)OC(C)(C)C)C1 2306848381 DJZJSFLFDATPME-CYBMUJFWSA-N 451.349 2.115 50 10 JEGE CCOCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1cc(OC)c(OC)c(OC)c1 9826221 NTQBIRUQTLVPNG-UHFFFAOYSA-N 477.539 2.077 50 10 JEGE O=C(CN1C(=O)/C(=N\NC(=O)C(=O)Nc2ccccc2[N+](=O)[O-])c2ccccc21)Nc1ccccc1 13301435 VSQROJBYCKWIRS-MEFGMAGPSA-N 486.444 2.039 50 10 JEGE O=C(CCN1C(=O)c2ccc(Br)cc2C1=O)NNC(=O)Cc1c[nH]c2ccccc12 25488586 JYNDHHJYVPNAGZ-UHFFFAOYSA-N 469.295 2.307 50 10 JEGE O=C(CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)NNC(=O)Cc1ccc(Cl)cc1 28633703 MZOKITUEAMXMLE-UHFFFAOYSA-N 450.886 2.085 50 10 JEGE CC(=NNC(=O)CN1CCCc2ccccc21)c1ccc(S(=O)(=O)NCCCC(=O)O)cc1 916309613 ITCLZWZYLMIPNW-UHFFFAOYSA-N 472.567 2.123 50 10 JEGE CC(=O)N1CC[C@H](NC(=O)NNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)c2ccccc21 1469416935 SKYPPHLWKKOGIZ-SFHVURJKSA-N 459.547 2.462 50 10 JEGE CN(CCN(CC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1Cl)Cc1ccccc1)Cc1ccccc1 2019313906 RRFLAHHZYYORIO-VXKWHMMOSA-N 464.031 2.141 50 10 JEGE COc1cccc(C=NNC(=O)CSc2nnc(O)nc2O)c1OCc1cccc(C)c1 2323177368 HQZWMZUYNKQPSF-UHFFFAOYSA-N 455.496 2.421 50 10 JEGE COc1ccccc1OCC(=O)NC(=S)NNC(=O)CCC(=O)Nc1ccc(C)c(C)c1 12571667 WXGVQCRCTKUDPX-UHFFFAOYSA-N 458.540 2.132 50 10 JEGE COC(=O)c1cc(OC)c(OC)cc1N/C=C1/C(=O)N(C[C@H]2CCCO2)C(=O)C(C#N)=C1C 102675891 ISJXHRNRWSLMLY-SWEABUAFSA-N 455.467 2.174 50 10 JEGE O=C1NCCC[C@H]1C(=O)NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 1084428795 NRWUOURVFGCHKD-OAHLLOKOSA-N 473.302 2.482 50 10 JEGE C=CCNS(=O)(=O)c1ccc(C(=O)NNc2c(F)cc(C(=O)NC3CC3)cc2F)cc1 1636702092 BVHJZAPUKITGJT-UHFFFAOYSA-N 450.467 2.078 50 10 JEGE O=C(NNC(=O)C1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1)c1cccnc1 1858002239 SYEOCZOHSJCXDE-UHFFFAOYSA-N 451.310 2.467 50 10 JEGE C[C@H](CBr)N1CCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)CC1 2113063470 DYJOHOIDSFFWBO-OAHLLOKOSA-N 486.432 2.040 50 10 JEGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1OC 2313617128 HQHLNVTZFUXQNU-UHFFFAOYSA-N 468.535 2.401 50 10 JEGE CCCCOC(=O)c1ccccc1NC(=O)C(C#N)=CNCCc1ccc(S(N)(=O)=O)cc1 2325309762 QGSBOTKATQQFJM-UHFFFAOYSA-N 470.551 2.469 50 10 JEGE C[C@@H](CBr)N1CCN(C(=O)c2c(Br)c(Br)nn2C)CC1 2364230505 NKTATKCWIGTINZ-QMMMGPOBSA-N 473.007 2.486 50 10 JEGE COC(=O)c1ccc(C(=O)NC(=S)NNC(=O)c2ccc(C)c(Br)c2)cc1 10455822 DZFAWXDKBXEKRI-UHFFFAOYSA-N 450.314 2.493 50 10 JEGE COc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2)cc1I 12500786 JGMDHMGSGQHREU-UHFFFAOYSA-N 455.277 2.249 50 10 JEGE COCCOc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1Br 13623259 WJDPPYWPWVRMQT-QGZVFWFLSA-N 490.354 2.284 50 10 JEGE COc1ccc(OCC(=O)NNC(=O)c2ccc(OC)c(I)c2)cc1 13978119 AXZQAJQZDIOWIT-UHFFFAOYSA-N 456.236 2.148 50 10 JEGE COc1ccc(OC)c(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)NCc3ccccc3)cc2)c1 725438384 KALFSKAPVDETFK-UHFFFAOYSA-N 490.516 2.488 50 10 JEGE CC(=O)N1CCN(Cc2ccccc2NC(=O)NNC(=O)COc2cc(C)ccc2C)CC1 1310566474 ZHEMOMMUPMYKTK-UHFFFAOYSA-N 453.543 2.199 50 10 JEGE CC(=O)N[C@@](C)(C(=O)NNc1ccc(OC(F)(F)F)cc1)c1ccc(S(C)(=O)=O)cc1 1635004774 LXLODKJGQXPIPK-GOSISDBHSA-N 459.446 2.483 50 10 JEGE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@]1(C)CNS(=O)(=O)CI 1910105967 GAHXQXTYJGWHJZ-NSHDSACASA-N 454.277 2.333 50 10 JEGE O=C(OCc1ccccc1)N1CCO[C@@H](CNS(=O)(=O)CCC(CCl)CCl)C1 2044260972 FDIADEQVJQBZNQ-KRWDZBQOSA-N 453.388 2.427 50 10 JEGE CCC(CBr)(CBr)NS(=O)(=O)c1nn(C)cc1Br 2058151234 USPQTFOWBXSEKA-UHFFFAOYSA-N 468.009 2.400 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@]2(C[C@H](Br)CO2)C1 2137121768 LOWDCZSRBWMZLB-XOBRGWDASA-N 485.400 2.267 50 10 JEGE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NS(=O)(=O)c3ccc(CBr)cc3)CO[C@H]2C1 2178138663 ZEVKIYKPADDCLR-XHSDSOJGSA-N 461.378 2.494 50 10 JEGE O=C(CNC(=O)c1ccc2c(c1)OCCO2)N/N=C1/C(=O)N(Cc2ccccc2)c2ccccc21 13804989 BVAKKTXJNSQEOX-RMLRFSFXSA-N 470.485 2.255 50 10 JEGE O=C(CSC1=NCCS1)NNC(=O)c1ccc(NC(=O)CSC2=NCCS2)cc1 59443559 RNTZXWLOWRODIU-UHFFFAOYSA-N 469.639 2.058 50 10 JEGE COCc1c(C(=O)NN=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)nnn1-c1nonc1N 254381422 MPBQHMQDALNWRT-UHFFFAOYSA-N 470.534 2.443 50 10 JEGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1-c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 254812872 DHDARANJNBMTIF-UHFFFAOYSA-N 451.378 2.101 50 10 JEGE CCN1CC[C@@H](CNC(=O)/C(C#N)=C/c2cn(CCC(N)=O)nc2-c2ccc(Cl)cc2)C1 730937320 QQTPNYXANXOENV-GYKGCMEESA-N 454.962 2.444 50 10 JEGE CC(=NNC(=O)CCCSc1nnc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1N)c1ccccn1 1084303230 AFIGLVZHXTVDAF-UHFFFAOYSA-N 485.486 2.283 50 10 JEGE CCOc1ccc([C@H](O)CCC(=O)NN=C[C@@H]2C(=O)NC(=S)N(c3ccccc3)C2=O)cc1 1084342546 UYQFDOPHVWJQPL-RTBURBONSA-N 468.535 2.065 50 10 JEGE CC(=O)c1ccc(C(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)cc1O 1135758417 QKASYGLHBXBSSO-UHFFFAOYSA-N 456.458 2.428 50 10 JEGE CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1467953053 LLWQXQZEOHRDNE-UYAOXDASSA-N 458.559 2.317 50 10 JEGE CC(C)(C)OC(=O)N[C@H]1c2ccccc2C[C@H]1NS(=O)(=O)CI 1983328341 WISFHUJSKSSECD-OLZOCXBDSA-N 452.314 2.489 50 10 JEGE C[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1)c1ccc(B(O)O)cc1 2268635832 WETJXZOKVALZSX-CBGDNZLLSA-N 456.348 2.042 50 10 JEGE CN(CC1(Oc2nccc(B(O)O)c2F)CCN(Cc2ccccc2)CC1)C(=O)OC(C)(C)C 2286406549 OVDAVYBKXSGRJN-UHFFFAOYSA-N 473.354 2.181 50 10 JEGE C=CCN1C(=O)/C(=N\NC(=O)[C@H](CCSC)N2C(=O)c3ccccc3C2=O)c2ccccc21 105801634 GMYPITHXFBDMHU-RPYJSOBJSA-N 462.531 2.457 50 10 JEGE CC(C)COc1ccc(/C=N\NC(=O)[C@H](Sc2n[nH]c(=O)[nH]c2=O)c2ccccc2)cc1 169891779 CHJGFOFECYLEME-OMMIQNFISA-N 453.524 2.477 50 10 JEGE O=C(CSc1n[nH]c(NN=Cc2ccc(Cl)cc2Cl)n1)NNC(=O)C(F)(F)F 1084098332 BKBQJDMNYPKFHR-UHFFFAOYSA-N 456.237 2.359 50 10 JEGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 1665685631 OIBWGBMTBYIJMI-INIZCTEOSA-N 451.483 2.307 50 10 JEGE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)N2CCC(Br)CC2)CC12CCC2 2106772905 PLWISACKIMALQZ-CQSZACIVSA-N 452.415 2.470 50 10 JEGE CCO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NS(=O)(=O)N1CCC(Br)CC1 2162595375 WICKBURIWUAQFM-GJZGRUSLSA-N 470.430 2.095 50 10 JEGE Cc1cc(CN(C)C(=O)C2(COCc3ccccc3)CN(C(=O)OC(C)(C)C)C2)sc1B(O)O 2284141569 DZZSGOHQLOXTAX-UHFFFAOYSA-N 488.415 2.149 50 10 JEGE COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2cc([N+](=O)[O-])c(N3CCCC3)c([N+](=O)[O-])c2)c1O 103535858 NCJVROLUTPJYLC-KEBDBYFISA-N 474.386 2.490 50 10 JEGE CC(C)OCCCn1c(NNC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)nc2ccccc2c1=O 751890906 FHOMRNJJOYNFDJ-VGSWGCGISA-N 459.572 2.109 50 10 JEGE C#C[C@@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc(F)cc1 1636548882 YSQFQADLGLVHQD-HXUWFJFHSA-N 458.515 2.319 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC=C[C@@]1(C)CBr 2215694308 VQDCJDZSQPONOP-ROUUACIJSA-N 459.337 2.366 50 10 JEGE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)c(F)c1B(O)O 2268635376 QILVVPFKMBDFLU-BFUOFWGJSA-N 464.274 2.082 50 10 JEGE CCN1CCN(c2nc3c(C)cccn3c(=O)c2C=C(C#N)S(=O)(=O)c2ccccc2)CC1 2296732279 PYNRIOOMHAZTGE-UHFFFAOYSA-N 463.563 2.483 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@@H](N2CCN(CCOCCI)CC2)C1 2306801776 JKAWQOJGYPHZJU-OAHLLOKOSA-N 453.365 2.065 50 10 JEGE COc1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2)cc1Cn1nc(C)c([N+](=O)[O-])c1C 2946024 OCLSNYSQXXGIIU-BRJLIKDPSA-N 464.482 2.345 50 10 JEGE CCOc1ccc(C)cc1[C@@H](C)NC(=O)/C(C#N)=C\NCCc1ccc(S(N)(=O)=O)cc1 217186317 FGHJORQHGUGZPH-JFPYRBRCSA-N 456.568 2.458 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCC(CI)CC1 1933989393 LQSBORNZBSYFOP-UHFFFAOYSA-N 476.336 2.150 50 10 JEGE C[C@H](C[S@@](C)(=O)=NS(=O)(=O)N1CCC(Br)CC1)NC(=O)OC(C)(C)C 2044694597 WPBHTEAYSZIMDR-YDGUKXNOSA-N 462.432 2.102 50 10 JEGE CC(C)(C)OC(=O)N(CCNC(=O)c1cc(B(O)O)c(Cl)s1)OCc1ccccc1 2243415314 RVESPEPVNCVZBZ-UHFFFAOYSA-N 454.741 2.180 50 10 JEGE COc1cc(C=NNC(=O)c2nnn(-c3nonc3N)c2CSc2ccc(C)cc2)ccc1O 254763422 JETJGUNHLSOUHD-UHFFFAOYSA-N 480.510 2.311 50 10 JEGE CN1CCN(CCNC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CC1 843756901 FJHBWIQLBDAPIT-XDJHFCHBSA-N 451.962 2.388 50 10 JEGE CC(=O)N[C@](C)(C(=O)NNc1ccc(OC(F)(F)F)cc1)c1ccc(S(C)(=O)=O)cc1 1635004775 LXLODKJGQXPIPK-SFHVURJKSA-N 459.446 2.483 50 10 JEGE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(N)cc1B(O)O 1887522654 CHBJAFIBMUOXRN-UHFFFAOYSA-N 471.366 2.324 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCSC[C@H]1CBr 2000538606 HZVFPCMLQTTWBC-PXAZEXFGSA-N 479.393 2.153 50 10 JEGE COC[C@](CNC(=O)OC(C)(C)C)(NCCSSCCNC(=O)OC(C)(C)C)C(=O)O 2306409293 UADXHCXLMHZUQK-IBGZPJMESA-N 483.653 2.477 50 10 JEGE CC(C)(C)OC(=O)NC1(C2CCN(CCOCCI)CC2)COC1 2306796377 JWCBITFORBHCEQ-UHFFFAOYSA-N 454.349 2.444 50 10 JEGE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)NCc2sc(Cl)cc2B(O)O)C1 2343825134 IBJVWCIHJXCTCH-UHFFFAOYSA-N 494.806 2.151 50 10 JEGE O=C(N[C@@H](Cc1c[nH]c2ccc(B(O)O)cc12)C(=O)O)OCC1c2ccccc2-c2ccccc21 382592073 YSWJXSJRCAZHJY-DEOSSOPVSA-N 470.290 2.382 50 10 JEGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)NN=C(C)c1ccc(N)cc1 1084343169 LXZXGGKPAXBAOP-UHFFFAOYSA-N 461.555 2.472 50 10 JEGE C[C@@]1(CBr)CC(F)(F)CN1S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 1976199008 YYCWEIPNUWHSOF-HNNXBMFYSA-N 451.289 2.107 50 10 JEGE O=S(=O)(CI)N[C@@H]1CN(Cc2ccccc2)C2(CCOCC2)C1 1983330703 HICRPBLLUBKFKC-HNNXBMFYSA-N 450.342 2.122 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H](CBr)C[C@@H]2OCC[C@H]21 2090531447 RAKLBIDRLUAPFB-XKQJLSEDSA-N 485.400 2.265 50 10 JEGE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(B(O)O)cc1 2268635838 WETJXZOKVALZSX-WWMYMODYSA-N 456.348 2.042 50 10 JEGE O=S(=O)(c1cncc(CBr)c1)N1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 2283089212 BTYHCUDVEDFXOI-OALUTQOASA-N 452.374 2.250 50 10 JEGE Cc1nonc1C(=O)N/N=C/c1cc(I)cc(I)c1O 59465242 UROGTKFIYPQFMS-LNKIKWGQSA-N 498.018 2.057 50 10 JEGE CCOc1ccc(C)cc1[C@@H](C)NC(=O)/C(C#N)=C\N(CCN(C)C)[C@H]1CCS(=O)(=O)C1 243073112 IMHFPKIVENXGTP-QUCCMNQESA-N 462.616 2.029 50 10 JEGE Cc1ccc(C)c(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)c1 1084358866 LZYGXDRNGGCQGJ-FQEVSTJZSA-N 452.511 2.066 50 10 JEGE CC(=O)N1CCN(Cc2ccccc2NC(=O)NNC(=O)[C@H](C)Oc2ccccc2F)CC1 1623790500 AHOHHQREXUTPDF-INIZCTEOSA-N 457.506 2.110 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Br)C(F)(F)C1 2000543676 XXUQGUWMZZNRNL-WFASDCNBSA-N 469.279 2.055 50 10 JEGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)NC[C@]1(F)CC[C@@H](CBr)CC1 2008946958 YWWQZSKDBVKROQ-QGGXVJLZSA-N 461.353 2.495 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H]2CC[C@@]2(CBr)C1 2021645215 JYVVFLOHSIHRRL-AUUYWEPGSA-N 455.374 2.500 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H]1C[C@@H](Br)CCO1 2036677631 FGYLKOBCEBROHJ-KBPBESRZSA-N 473.389 2.171 50 10 JEGE CC(C)(C)OC(=O)N1CCC(CI)(O[C@H]2CCN(S(C)(=O)=O)C2)CC1 2257833828 SGUZPVVNOVTWQO-ZDUSSCGKSA-N 488.388 2.242 50 10 JEGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H](C)c1cc(B(O)O)cs1 2268652840 JABQMBZXQGENKR-TWOQFEAHSA-N 476.404 2.446 50 10 JEGE C[C@H](c1cscc1B(O)O)N(C)C(=O)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2284144530 ZAIYASYWVJUHDB-QGZVFWFLSA-N 488.415 2.401 50 10 JEGE COCCN(C=C(C#N)C(=O)NC(c1ccccc1)c1ccccc1)[C@H]1CCS(=O)(=O)C1 2324825769 ICUCTZMRSZPKNS-QFIPXVFZSA-N 453.564 2.435 50 10 JEGE CCc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 33931682 VTOFPLLNHBMFKH-FDWYHIAWSA-N 478.530 2.259 50 10 JEGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1/C(=N/NC(=O)c1ccccn1)CCC2 101605972 RWVPIBSGNSGBQK-MFKUBSTISA-N 476.449 2.436 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCCCCI 703972460 DJXWZXAUSWGIMH-UHFFFAOYSA-N 478.352 2.443 50 10 JEGE CN(C[C@@H]1C[C@H]1Br)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O 1892658428 UVIOTBLQWHQLDD-YNEHKIRRSA-N 453.399 2.041 50 10 JEGE CC(C)(C)OC(=O)N1C[C@@H](I)[C@H](OC[C@H]2C[C@@H](S(C)(=O)=O)C2)C1 1905176398 OZDLDCKYPWREIP-YVECIDJPSA-N 459.346 2.249 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@](C)(CBr)C1 2000541292 RXAGRUFKGDNTCB-ROUUACIJSA-N 461.353 2.448 50 10 JEGE C[C@H](Br)[C@@H]1CCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2000545945 WGUKALXJZDPPCN-JCGVRSQUSA-N 461.353 2.446 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@H](OCCBr)C1 2046753231 ZWWGBOXIYLTSAL-HNNXBMFYSA-N 473.389 2.269 50 10 JEGE Cc1ccc(B(O)O)cc1NC(=O)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2284015864 SOHYJNWXOJYIKS-VWLOTQADSA-N 468.359 2.457 50 10 JEGE Cc1ccc(N2C(=O)[C@H](C=C(C#N)C(=O)N3CCN(c4ccccc4)CC3)C(=O)NC2=S)cc1C 2313565284 GLIOBZASSIRXKC-JOCHJYFZSA-N 487.585 2.466 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC2(CC[C@H](CBr)O2)C1 2315125249 YKMFJYVVNVYVFE-CQSZACIVSA-N 471.373 2.021 50 10 JEGE C[C@H](Sc1nnc(O)nc1O)C(=O)NN=Cc1ccc(OC(=O)c2ccc(F)cc2)cc1 2323160916 SIWQHJOAVUXHAW-NSHDSACASA-N 457.443 2.272 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H]1CCCN(CCCl)C1 2364215811 LCAPTECYXRYQDE-KRWDZBQOSA-N 456.008 2.466 50 10 JEGE COc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc(Br)c(C)c2)cc1 12573431 IIPWOHWQVNSCSV-UHFFFAOYSA-N 452.330 2.481 50 10 JEGE C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)c3cn(C)c4ccccc34)cc2)C[C@H](C)O1 15092828 ZVRPQLMWONXFGM-HOTGVXAUSA-N 470.551 2.051 50 10 JEGE C[C@H](NC(=O)/C(C#N)=C\N(CCN(C)C)[C@@H]1CCS(=O)(=O)C1)c1ccc2c(c1)CCCC2 217202661 JQAGCHOZCCQYIW-ISSODTKQSA-N 458.628 2.201 50 10 JEGE C#CCNS(=O)(=O)c1ccc(C(=O)NNc2cc([N+](=O)[O-])ccc2Br)cc1 1558978738 DCKUHKUTLBQVFZ-UHFFFAOYSA-N 453.274 2.026 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@@H]2CC[C@H](Br)[C@H]2C1 1942098332 NDKMRVVDDDQJTF-JQFCIGGWSA-N 455.374 2.498 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H]2[C@H](C1)[C@@H]2CBr 2046030091 VWIUAHYEOSGLFT-RXMXQMHTSA-N 473.364 2.303 50 10 JEGE C[C@H](Br)[C@H]1CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CCO1 2053851837 VANKKZPZQYAVLG-WMLDXEAASA-N 473.389 2.267 50 10 JEGE CCCN1CC[C@@H]([C@H](Br)c2cnn(C)c2I)S1(=O)=O 2089514013 IDVMQOTYFSEDCA-VHSXEESVSA-N 462.151 2.275 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)N2CCC(Br)CC2)[C@@H]2CC[C@@H]21 2121238402 UDTHEDNZYRFANI-KKUMJFAQSA-N 452.415 2.468 50 10 JEGE C[C@H](Cl)CN1CCCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CC1 2176855385 GJPUELOFFOSUON-KRWDZBQOSA-N 456.008 2.418 50 10 JEGE CN(Cc1cc(B(O)O)cs1)C(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 2302869230 YRGJISPQWCAAAL-UHFFFAOYSA-N 476.363 2.458 50 10 JEGE COc1cc([C@@H](O)/C(=N\NC(=O)c2ccncc2)c2nc3ccc([N+](=O)[O-])cc3nc2O)ccc1O 5316133 NQFRKEYSOIXTGU-OSWZSTQVSA-N 490.432 2.221 50 10 JEGE COCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)c(C)c1 14660656 LITLONBSGAPSMM-UHFFFAOYSA-N 496.383 2.497 50 10 JEGE CCOc1cc(/C=N/NC(=O)[C@@H]2C(=O)NC[C@H]2c2ccccc2)cc(I)c1O 101536794 XMZNSYMMUJFINW-FIOKRUDOSA-N 493.301 2.375 50 10 JEGE CC(=O)Nc1ccc(C)c(N2C[C@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)c1 1872960538 DIHDMAVQJNUSTI-RTBURBONSA-N 478.553 2.083 50 10 JEGE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCc2cc(B(O)O)ccc21 2283973944 WVOLGNKGFSVSCI-VGOFRKELSA-N 468.359 2.144 50 10 JEGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1cccc(B(O)O)c1 2301662858 SVEFCRPUUWPUMY-XMMPIXPASA-N 458.323 2.300 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@]1(CBr)CCOC1 2316822424 QJXMFOBHPRBXNW-LJQANCHMSA-N 473.389 2.316 50 10 JEGE COc1cc([C@H](O)/C(=N\NC(=O)c2ccncc2)c2nc3ccc([N+](=O)[O-])cc3nc2O)ccc1O 5316132 NQFRKEYSOIXTGU-GGMSWHNTSA-N 490.432 2.221 50 10 JEGE COc1cc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)cc(OC)c1OC 10153863 QBQRILGIPSOSSX-CQSZACIVSA-N 461.540 2.432 50 10 JEGE CNS(=O)(=O)c1cccc(C(=O)OCC(=O)NN=C(c2ccccc2)c2ccccc2)c1 11344078 JZNIJGPFXTXKGZ-UHFFFAOYSA-N 451.504 2.320 50 10 JEGE O=C(COc1ccccc1)NNC(=S)NC(=O)CCCC(=O)OCCCc1ccccc1 14016326 NTBADPGYLWEOMI-UHFFFAOYSA-N 457.552 2.434 50 10 JEGE COCCN(CCOC)c1ncnc(NNC(=O)C(c2ccccc2)c2ccccc2)c1N 40752021 DQRIIAPALHJGEH-UHFFFAOYSA-N 450.543 2.433 50 10 JEGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN/C=C2/C=C([N+](=O)[O-])C=CC2=O)c(OC)c1 136446951 QARIVSWCDIRYEK-PPMNWOIMSA-N 490.472 2.279 50 10 JEGE CCCCOc1ccc(C=NNC(=O)c2c(CN3CCCCC3)nnn2-c2nonc2N)cc1 254812806 ZVYATRXNEPBPQS-UHFFFAOYSA-N 467.534 2.161 50 10 JEGE O=C(CNC(=O)c1ccc2c(c1)OCO2)NN=C1C(=O)N(Cc2ccccc2)c2ccccc21 254858707 VYEKLYQKQUEBQK-UHFFFAOYSA-N 456.458 2.212 50 10 JEGE O=C(NN=C1CCN(CCc2ccccc2)CC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 915938742 FEPHYPQKXKQFEK-UHFFFAOYSA-N 470.595 2.132 50 10 JEGE O=C(CSc1n[nH]c(NN=Cc2cccc([N+](=O)[O-])c2)n1)NNC(=O)c1ccc(Cl)cc1 1083927910 PJUKXFRQPACVFL-UHFFFAOYSA-N 474.890 2.366 50 10 JEGE CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)Nc3ccccc3C)CC2)c1 1635258467 WBYZUAPJRHZPQA-UHFFFAOYSA-N 458.540 2.451 50 10 JEGE C[C@@H]1[C@H](CBr)CCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000538690 IJBGNUORMDNEPJ-VBHSOAQHSA-N 461.353 2.446 50 10 JEGE O=S(=O)(C[C@H](Br)c1ccc(I)cc1)N1CCOCC1 2089399551 DGWJJKCOYRYXTC-LBPRGKRZSA-N 460.131 2.389 50 10 JEGE CC(C)(C)OC(=O)N1[C@H](CNS(=O)(=O)N2CCC(Br)CC2)COC1(C)C 2106298144 KCJWQIUMIQLASO-CYBMUJFWSA-N 456.403 2.052 50 10 JEGE COc1cc(CNC(=O)CCCNC(=O)OCC2c3ccccc3-c3ccccc32)ccc1B(O)O 2273860511 HXTGGIHOEYNDKA-UHFFFAOYSA-N 488.349 2.310 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)Nc2ccc(F)c(B(O)O)c2)C1 2283983837 PDULGSRICAHWSU-XMMPIXPASA-N 472.322 2.288 50 10 JEGE CC(C)(C)OC(=O)N1CCC[C@@H](OCCNS(=O)(=O)N2CCC(Br)CC2)C1 2290021678 CSWNTEHGWDVZLV-OAHLLOKOSA-N 470.430 2.096 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2[C@H](Br)CC[C@H]2C1 2308994554 VHEILDBRBAENPK-GCUGWZBJSA-N 473.364 2.446 50 10 JEGE Cn1nc(Br)c(Br)c1C(=O)N[C@H]1CCOC[C@@H]1CBr 2338860589 KAKPEYRVNJPKDB-BQBZGAKWSA-N 459.964 2.475 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC2(CCOCC2)[C@@H]1CCl 2381038809 UNIKIXWALGLIPA-KRWDZBQOSA-N 454.976 2.358 50 10 JEGE Cc1ccc(OCC(=O)NC(=S)NNC(=O)c2ccccc2[N+](=O)[O-])c(Br)c1 12570963 OJMIRFMELNTOSA-UHFFFAOYSA-N 467.301 2.380 50 10 JEGE CCOc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1Br 13629985 PYRQCMNQTISYJO-CYBMUJFWSA-N 450.289 2.251 50 10 JEGE C/C(=N\Nc1nc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)n[nH]1)c1ccc(N)cc1 20923742 MSNIXMSTRVYNOC-FOKLQQMPSA-N 458.935 2.430 50 10 JEGE CC(C)(C)NC(=O)CCN(NC(=O)/C=C\c1ccccc1)C1=NS(=O)(=O)c2ccccc21 33248182 HQCPZJBAGBTCAK-YPKPFQOOSA-N 454.552 2.487 50 10 JEGE CC(=O)Nc1ccc(NC(=O)/C(C#N)=C\N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 216940439 PHVQZBNQEUXGMY-MNDPQUGUSA-N 467.551 2.306 50 10 JEGE C#CCOc1ccccc1NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 1670331385 LARZYGKYEYMRMV-UHFFFAOYSA-N 456.524 2.340 50 10 JEGE C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCc2cccc(B(O)O)c21 2283978315 AQMNZVFTXKWEGT-UTKZUKDTSA-N 468.359 2.144 50 10 JEGE O=C(NC1(C(=O)NCc2ccccc2B(O)O)CC1)OCC1c2ccccc2-c2ccccc21 2302689224 FPDHRFMJTWOBPC-UHFFFAOYSA-N 456.307 2.054 50 10 JEGE C[C@H](NC(=O)C(C#N)=CN(CCN(C)C)[C@@H]1CCS(=O)(=O)C1)c1ccc2c(c1)CCCC2 2325118361 JQAGCHOZCCQYIW-FDDCHVKYSA-N 458.628 2.201 50 10 JEGE O=C(NNc1ncnc(NNC(=O)c2ccccc2Br)c1[N+](=O)[O-])c1ccccn1 40658356 DLDWAVRBYMPTSU-UHFFFAOYSA-N 473.247 2.056 50 10 JEGE CCOC(=O)C1=NO[C@H](Cc2c(C=NNC(=O)c3ccccc3)c(OC)c3c(c2OC)OCO3)C1 254855861 IWQQVOAAYYHURP-OAHLLOKOSA-N 483.477 2.447 50 10 JEGE C=CCOc1ccc(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 1623865159 VUBPHHZJFFCKLF-UHFFFAOYSA-N 457.552 2.430 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC(F)(F)CBr 1900066825 UAUXGOIRODGPRH-UHFFFAOYSA-N 453.305 2.258 50 10 JEGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2scc(B(O)O)c2C1 2299780917 NQMKHQQMPXNFFG-OAHLLOKOSA-N 476.363 2.240 50 10 JEGE CCOc1cc(/C=N/NC(=O)CNC(=O)c2cccc(F)c2)cc(I)c1O 3085527 FTIOCDRMBSAJNO-LSFURLLWSA-N 485.253 2.415 50 10 JEGE O=C(NC(=S)NNC(=O)c1ccccc1I)c1cccc([N+](=O)[O-])c1 12502025 IDKSUUAPHULMFY-UHFFFAOYSA-N 470.248 2.149 50 10 JEGE Nn1c(SCC(=O)N/N=C/c2cc(Br)ccc2O)nnc1-c1ccccc1O 58990170 PDJLCYFGAYPQMG-DNTJNYDQSA-N 463.317 2.075 50 10 JEGE COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)NN=Cc2cccs2)c(OC)c1 254624650 LVQYDVPORBIVOM-LJQANCHMSA-N 458.496 2.087 50 10 JEGE C[C@@H]1CCCCN1Cc1c(C(=O)NN=Cc2ccc(C(F)(F)F)cc2)nnn1-c1nonc1N 254872016 MJUOMQRFPKIQCP-GFCCVEGCSA-N 477.451 2.390 50 10 JEGE COC[C@H](Br)CN(C)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942089464 QDILFSBYWRWYDP-CQSZACIVSA-N 461.378 2.124 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2C[C@H]1C[C@H]2Br 2004621074 DJRZOHVQJHXIST-IPTNHLRFSA-N 459.337 2.198 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2C[C@@H](Br)[C@H]1C2 2008058165 KEXBTBSHSFPXHG-HVFZGPLGSA-N 459.337 2.198 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H]1C[C@H](Br)CCO1 2036677635 FGYLKOBCEBROHJ-KGLIPLIRSA-N 473.389 2.171 50 10 JEGE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H](CNS(=O)(=O)N1CCC(Br)CC1)C2 2117679297 ZQZUHEJDOALADA-SNPRPXQTSA-N 452.415 2.468 50 10 JEGE CC(C)(C)OC(=O)N1CCC(OCCNS(=O)(=O)N2CCC(Br)CC2)CC1 2162601692 MJZIJLLGYFOTTG-UHFFFAOYSA-N 470.430 2.096 50 10 JEGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(B(O)O)ccn1 2248396786 DTNJTAWMDFPDBX-HSZRJFAPSA-N 459.311 2.263 50 10 JEGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2ccc(B(O)O)cc2C1 2256605786 NVFKMONNAVTJGU-KRWDZBQOSA-N 470.334 2.178 50 10 JEGE O=C(NNC(=O)c1ccccc1I)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3139911 ZVZYOBGAQQPJJK-UHFFFAOYSA-N 456.152 2.182 50 10 JEGE CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc(C)cc2Br)cc1 12571025 WYGNKLXUKKMGMH-UHFFFAOYSA-N 479.356 2.430 50 10 JEGE Nc1c(NNC(=O)c2ccc(Br)cc2)ncnc1N1CCN(c2ccccn2)CC1 40784542 NPBIIOLITOMODF-UHFFFAOYSA-N 469.347 2.300 50 10 JEGE COc1ccc(O)c(/C=N/NC(=O)CCCSc2nnc(-c3cccc([N+](=O)[O-])c3)n2N)c1 58988237 LLMZJVLWSNOHMV-WSDLNYQXSA-N 471.499 2.304 50 10 JEGE CCc1ccc(NC(=O)C(=O)NN=C(C)CC(=O)NCCc2ccc(OC)c(OC)c2)cc1 254555717 GZBPCXQDEZOQKK-UHFFFAOYSA-N 454.527 2.446 50 10 JEGE COc1ccccc1NC(=O)C(=O)NN=C1C(=O)N(CC(=O)Nc2ccccc2)c2ccccc21 254759080 NGGYLLQTWQDSFM-UHFFFAOYSA-N 471.473 2.140 50 10 JEGE COc1cc(Br)c2c3c1O[C@H]1C(=O)[C@H](Br)C[C@@]4(O)[C@@H](C2)N(C)CC[C@]314 605692535 JOIWBECPBKCGJU-QSSBUMNFSA-N 473.161 2.184 50 10 JEGE C[C@H]1CO[C@H](CBr)CN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703963616 BORKICGIQTWCFK-UONOGXRCSA-N 473.389 2.123 50 10 JEGE CC(C)(C)OC(=O)N1C[C@H](NC(=O)[C@@H](Br)C2CCCC2)[C@H](S(C)(=O)=O)C1 1877659861 PWGBPKFPBUFKCA-MJBXVCDLSA-N 453.399 2.089 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@H](Br)C[C@@]2(CCCO2)C1 1924283250 WKEUJTRHDAKEAD-KUHUBIRLSA-N 471.373 2.021 50 10 JEGE Cn1ncc(C(=O)N2C[C@H](Br)[C@@H](Br)C2)c1I 1990930343 MPUINWKMPZSTNB-BQBZGAKWSA-N 462.911 2.008 50 10 JEGE O=C(N[C@H]1CCCN(S(=O)(=O)N2CCC(Br)CC2)C1)OCc1ccccc1 2253198129 JDEOJFZIDKORHA-KRWDZBQOSA-N 460.394 2.481 50 10 JEGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNCCN1C(=O)CSC1=O 2325409369 FZGVVDYZNJWMLL-UHFFFAOYSA-N 470.292 2.231 50 10 JEGE N#CC[C@@](O)(C#N)c1c(F)c(F)c([C@H](C#N)c2ccc(N(CCO)CCO)cc2)c(F)c1F 514260779 PXIHAXXZJWNGMC-IVZQSRNASA-N 462.403 2.314 50 10 JEGE CC(=O)N[C@H](C(=O)NNC(=O)c1cc(Br)c[nH]1)c1cccc(Br)c1 1290350429 DPCMUUALFHETKY-ZDUSSCGKSA-N 458.110 2.178 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)Nc2nc(B(O)O)ccc2Cl)C1 2283984874 BLXLUGAILDKDKH-QHCPKHFHSA-N 489.765 2.197 50 10 JEGE COc1ccc(N2CCN(c3ncnc(NNC(=O)c4cccc([N+](=O)[O-])c4)c3[N+](=O)[O-])CC2)cc1 40611229 BRHSLHGVJUJLRA-UHFFFAOYSA-N 494.468 2.385 50 10 JEGE COc1ccccc1C(=O)NNc1ncnc(N2CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-] 40611589 DLNVOVRFIZSRMK-UHFFFAOYSA-N 463.498 2.473 50 10 JEGE O=C(NNc1ncnc(NNC(=O)c2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-])c1ccc(Cl)cc1 40657793 AZLUBLMWFSLBHX-UHFFFAOYSA-N 472.805 2.460 50 10 JEGE COc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CSc2ccccc2)cc1OC 254771582 PDOSXRZFOMKZST-UHFFFAOYSA-N 480.510 2.306 50 10 JEGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NCCN2CCC[C@@H](C)C2)cc1 920853441 CQDZZUPUUMZPNA-WRDGEJPTSA-N 464.570 2.189 50 10 JEGE O=C(COc1ccc([N+](=O)[O-])cc1)NN=C1C(=O)N(CCN2CCCCC2)c2ccccc21 1084052488 KWLSMHMBCRHTPQ-UHFFFAOYSA-N 451.483 2.327 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CCBr)C(F)F 2000542451 VIJRQWQWUOSDDA-LRDDRELGSA-N 471.295 2.349 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@@H](OCCBr)C1 2113856355 MGJKLDMSGCQZMJ-KUHUBIRLSA-N 491.379 2.217 50 10 JEGE CC(C)(C)OC(=O)N1CC(N(OCc2ccccc2)c2ncc(Br)cc2B(O)O)C1 2212612036 HKIGQFNOSKSJLL-UHFFFAOYSA-N 478.152 2.081 50 10 JEGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)NC3CCCCC3)c(N3CCC(C(N)=O)CC3)nc12 2296849588 ZYXOVAIDRLUXLV-UHFFFAOYSA-N 462.554 2.061 50 10 JEGE CC(C)(C)OC(=O)N1CCC[C@@H](N2CCN(CCOCCI)CC2)C1 2326641387 LBEYXOACKGSEMO-MRXNPFEDSA-N 467.392 2.455 50 10 JEGE Cn1nc(Br)c(Br)c1C(=O)N[C@@H]1CCOC[C@@H]1CBr 2338690679 KAKPEYRVNJPKDB-NKWVEPMBSA-N 459.964 2.475 50 10 JEGE C=CCNC(=O)/C(C#N)=C\c1c(N2CCN(Cc3ccccc3)CC2)nc2ccccn2c1=O 34256172 PLQMLOUISUTRCZ-FXBPSFAMSA-N 454.534 2.226 50 10 JEGE CCOc1cc(C=NNC(N)=O)cc(I)c1OCC(=O)NCc1ccccc1 252625342 QHRPOTLGNJORLG-UHFFFAOYSA-N 496.305 2.387 50 10 JEGE COC[C@](C)(CBr)NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 716862628 TWAXSJCSSRWUAE-SFHVURJKSA-N 461.378 2.028 50 10 JEGE COc1ccc(C(C)=NNc2nc(SCC(=O)NNC(=O)c3ccc(F)cc3)n[nH]2)cc1OC 1084488486 YFNPUIKRQOBPAJ-UHFFFAOYSA-N 487.517 2.350 50 10 JEGE CN1CCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)[C@H](CCBr)C1 2138084921 UBJCVYKAVOVJMD-OAHLLOKOSA-N 486.432 2.040 50 10 JEGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1C[C@@H]2CCCC[C@@]2(CBr)C1 2216721491 AVBWJYUSQRCBCP-IFXJQAMLSA-N 455.374 2.500 50 10 JEGE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ncc(B(O)O)s1 2256624873 YSISGHYUGGWBDR-CMJOXMDJSA-N 493.394 2.393 50 10 JEGE O=C(NC1(C(=O)N2Cc3ccc(B(O)O)cc3C2)CC1)OCC1c2ccccc2-c2ccccc21 2319281746 BOQFVNGUBOQREL-UHFFFAOYSA-N 468.318 2.280 50 10 JEGE Cc1ccc(OCC(=O)NNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c(Br)c1 13623026 LFGVBPFLWCPMKG-INIZCTEOSA-N 460.328 2.332 50 10 JEGE Nc1nonc1-n1nnc(C(=O)NN=Cc2ccoc2)c1CN1CCC(Cc2ccccc2)CC1 254416507 IUEZFLABKDDBBH-UHFFFAOYSA-N 475.513 2.044 50 10 JEGE O=C(COC(=O)c1cc2c(Br)cccc2[nH]1)NNC(=O)[C@H]1COc2ccccc2O1 728344703 NLJCFZQAGTZDRJ-QGZVFWFLSA-N 474.267 2.075 50 10 JEGE CC(=O)N1CCN(c2ccccc2CNC(=O)NNC(=O)c2ccc(Br)cc2)CC1 1318176822 UPLSDUPVHAZEHL-UHFFFAOYSA-N 474.359 2.262 50 10 JEGE CCOc1cc(C=NNC(=O)CNc2nnc(O)nc2O)ccc1OCc1ccc(C)cc1 2297679816 NARWIGMVFOWKPX-UHFFFAOYSA-N 452.471 2.131 50 10 JEGE COC(=O)c1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2C)cc1 10455843 WTXVPQBFARIZEV-UHFFFAOYSA-N 480.340 2.259 50 10 JEGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2C)cc1 14657185 CFSSXKKKEKEFPF-UHFFFAOYSA-N 451.932 2.388 50 10 JEGE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)NNC(=O)c1cccnc1 20287394 MGCBCSQHPWEFPI-LDADJPATSA-N 450.480 2.166 50 10 JEGE COc1ccc(Br)cc1/C=N/NC(=O)CSc1nnc(-c2cccnc2)n1N 58990363 JTSIMSQLSFBVPJ-ZVBGSRNCSA-N 462.333 2.067 50 10 JEGE COc1cc(C(C)=NNC(=O)c2c(C)nnn2-c2nonc2N)ccc1OCc1ccccc1F 254347512 IXDUOZBVRQJMME-UHFFFAOYSA-N 480.460 2.422 50 10 JEGE C=CCNS(=O)(=O)c1cc(C(=O)NNC(=O)Nc2cc(OC)ccc2Cl)ccc1F 1448296865 BGAURYNSMMZTGJ-UHFFFAOYSA-N 456.883 2.419 50 10 JEGE C#CC1(O)CCN(C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(OC)c(OC)c2)CC1 1633559015 CJZRUMLMYIXYPK-RGEXLXHISA-N 459.506 2.375 50 10 JEGE O=C(NC1(C(=O)NCc2ccc(B(O)O)s2)CC1)OCC1c2ccccc2-c2ccccc21 1902375338 UBOLCTQKMWAJRX-UHFFFAOYSA-N 462.336 2.115 50 10 JEGE O=S(=O)(c1cnn(CCBr)c1)N1C[C@@H]2CN(Cc3ccccc3)CC[C@H]2C1 2179820632 ADGWVQRBCBQXIQ-ROUUACIJSA-N 453.406 2.421 50 10 JEGE O=C(CCCNC(=O)OCC1c2ccccc2-c2ccccc21)NCc1ccccc1B(O)O 2248901987 LAWONBIXCPKUGJ-UHFFFAOYSA-N 458.323 2.302 50 10 JEGE COc1ccc(NC(=O)/C(C#N)=C\N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1OC 216746187 KBGRPACFYJZZBA-MSUUIHNZSA-N 456.524 2.056 50 10 JEGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)C(=O)NCc2ccco2)cc1 1084631271 KDPWNBAEZVPZQU-UHFFFAOYSA-N 450.451 2.072 50 10 JEGE C=CC[C@]1(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CCCN1C(=O)OC(C)(C)C 1360182242 JCTBPXBKUKMRKG-HSZRJFAPSA-N 458.563 2.186 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CBr)CC1CC1 2000541271 IAKQJBSRDKHJAL-FZKQIMNGSA-N 461.353 2.494 50 10 JEGE CC1(C)CO[C@H](CBr)CN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2111235780 GDXNNBUCHXYSML-YJYMSZOUSA-N 491.379 2.215 50 10 JEGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)c1ccc(B(O)O)cc1 2248398825 WLEXJNBUJZEUCM-SJORKVTESA-N 458.323 2.471 50 10 JEGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1c(F)cccc1B(O)O 2260954407 DLUFJLKWJDEBMU-MRXNPFEDSA-N 476.313 2.091 50 10 JEGE CN(C)c1ccc(N2C(=NC=C(C#N)C(=O)NCc3ccco3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 2296590782 YKPRLWIICIYNIW-PMACEKPBSA-N 485.591 2.144 50 10 JEGE Cc1ccc(N2C(=O)[C@@H](C=C(C#N)C(=O)N3CCN(c4ccccc4)CC3)C(=O)NC2=S)cc1C 2313565285 GLIOBZASSIRXKC-QFIPXVFZSA-N 487.585 2.466 50 10 JEGE Cc1ccc(C(=O)NNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1I 12493037 OVCKMJRTKFQPAV-UHFFFAOYSA-N 455.208 2.348 50 10 JEGE COCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Cl)c(C)c1 14660507 IDIACVGUGPCHAO-UHFFFAOYSA-N 451.932 2.388 50 10 JEGE Cc1cccn2c(=O)c(/C=C(/C#N)S(=O)(=O)c3ccccc3)c(N3CCC(C(N)=O)CC3)nc12 33362006 IRMDSCFLNZXKLE-RGEXLXHISA-N 477.546 2.043 50 10 JEGE COc1cc(C(=O)NNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)ccc1OC(C)C 109912564 BTYJBMIATNDDQN-HNNXBMFYSA-N 467.569 2.158 50 10 JEGE COc1ccc(NC(=S)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)c(C)c2)cc1F 727499927 XOBLNSPTYFWNBJ-UHFFFAOYSA-N 454.549 2.089 50 10 JEGE CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(O)c(OC)c1 1565518775 CFZPOXZWZUFNNF-JOCHJYFZSA-N 482.493 2.121 50 10 JEGE O=C(c1sccc1I)N1C[C@@H]2OC[C@H](CBr)O[C@H]2C1 2265141774 JYYFSNYATMPLTH-HGNGGELXSA-N 458.115 2.356 50 10 JEGE Nn1c(SCC(=O)NN=CC=Cc2ccccc2)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2313587805 DTJDTCRIELICPO-UHFFFAOYSA-N 468.455 2.383 50 10 JEGE OB(O)c1ccnc(Sc2cc(I)ccc2Br)c1F 2338399904 UFZSXUHVRXOYEP-UHFFFAOYSA-N 453.867 2.419 50 10 JEGE CN1CCN(C(=O)c2c(Br)c(Br)nn2C)[C@H](CBr)C1 2338863794 OISNILZWSNHHDI-SSDOTTSWSA-N 458.980 2.096 50 10 JEGE CN1C(=O)[C@@]2(C)CC(C)(C(=O)NNC(=O)c3ccc(Br)cc3)C[C@@](C)(C2)C1=O 100970158 NBZXHBZHXOAMSV-PMACEKPBSA-N 450.333 2.412 50 10 JEGE COc1ccc(Br)cc1C=NNC(=O)C(=O)N1CCN(c2ccccc2OC)CC1 1084034126 UDGXGHQFUDCFNG-UHFFFAOYSA-N 475.343 2.265 50 10 JEGE N#C/C(=C/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(F)cc1)C(=O)NCc1ccco1 1614098925 KAUAVNXJOQEGNM-GCZQMRLUSA-N 474.539 2.213 50 10 JEGE C#C[C@H](NC(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1ccc(Cl)cc1)[C@@H]1CCCO1 1616964078 MUDFCVZERCYEOA-YXOXSWSVSA-N 451.914 2.283 50 10 JEGE CCc1ccc(S(=O)(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1860770655 QTOGJNWFDZHRFH-ZDUSSCGKSA-N 460.581 2.155 50 10 JEGE C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1)c1ccc(B(O)O)cc1 2268635833 WETJXZOKVALZSX-CSODHUTKSA-N 456.348 2.042 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCSC[C@@H]1CBr 2000538608 HZVFPCMLQTTWBC-SJCJKPOMSA-N 479.393 2.153 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2C[C@H]2[C@@H]1CBr 2021738023 VSWCBBVHFOPSPR-MAZHCROVSA-N 455.374 2.354 50 10 JEGE CC(N)=C(C#N)C(=O)COC(=O)C1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 2040425631 AJPDEDIQXJFXON-UHFFFAOYSA-N 460.339 2.263 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](CBr)C2(CC2)C1 2046024647 BZXFEABABQAUML-FZKQIMNGSA-N 473.364 2.448 50 10 JEGE CC(C)(C)OC(=O)N1[C@H](CNS(=O)(=O)N2CCC(Br)CC2)COC1(C)C 2106304910 KCJWQIUMIQLASO-CYBMUJFWSA-N 456.403 2.052 50 10 JEGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)cn1 2248397264 JVLMDKQMRSUVCI-HSZRJFAPSA-N 459.311 2.263 50 10 JEGE CC(C)(C)OC(=O)NCCN(Cc1ccccc1)C(=O)c1cc(B(O)O)c(F)cc1Cl 2249388331 KDALFYNUCCSWMT-UHFFFAOYSA-N 450.703 2.326 50 10 JEGE C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1)c1cccc(B(O)O)c1 2268634793 KMWHJUKFHXIMFF-XGHQBKJUSA-N 456.348 2.042 50 10 JEGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@@H]2OC[C@H](CBr)[C@@H]2C1 2364026364 HUOXDOMBMRQCDC-FXQIFTODSA-N 471.975 2.427 50 10 JEGE COc1ccccc1/C=C\C=NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 254307111 KJDIREQAXSHEFW-DFOAPOJSSA-N 456.568 2.125 50 10 JEGE O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12 727707296 FFLCPFHZNDDQBP-ZDUSSCGKSA-N 458.471 2.102 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@H]1C[C@@H](CBr)CO1 2039820030 XWXDRNZABQHKMF-LSDHHAIUSA-N 473.389 2.172 50 10 JEGE COC(=O)[C@H](I)CNC(=O)c1c(F)cccc1I 2255925462 FLLUODHTIAGSHI-MRVPVSSYSA-N 477.011 2.137 50 10 JEGE CC(C)CCNC(=O)C(C#N)=CN=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2c(c1)OCO2 2296556029 SAVPTONVMVDEKY-QFBILLFUSA-N 476.580 2.060 50 10 JEGE C=CCNC(=O)C(C#N)=Cc1c(N2CCN(Cc3ccccc3)CC2)nc2ccccn2c1=O 2296846672 PLQMLOUISUTRCZ-UHFFFAOYSA-N 454.534 2.226 50 10 JEGE COC[C@@]1(C)C[C@H](NC(=O)OC(C)(C)C)CN1S(=O)(=O)N1CCC(Br)CC1 2364162345 FTQTYOGNXQIKKI-WMLDXEAASA-N 470.430 2.095 50 10 JEGE CC1CCN(Cc2c(C(=O)N/N=C/c3ccc(C(C)C)cc3)nnn2-c2nonc2N)CC1 3633151 MHFKQRJICRPRFB-WYMPLXKRSA-N 451.535 2.352 50 10 JEGE O=C(COc1ccc2ccccc2c1)NNC(=S)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 12502239 IEMHTBDKXWPBCC-UHFFFAOYSA-N 469.435 2.371 50 10 JEGE CCOc1ccc(Br)cc1C(=O)NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 13629910 QAMHTAYGEOTBPN-GFCCVEGCSA-N 450.289 2.251 50 10 JEGE Cc1nc2c3ccccc3nc(NNC(=O)CCC(=O)N3CCN(Cc4ccccc4)CC3)n2n1 20286955 RJUZJNPJXUGNAP-UHFFFAOYSA-N 472.553 2.154 50 10 JEGE Cc1cccc(/C=C2/SC(=O)N(CCC(=O)NNC(=O)[C@H]3COc4ccccc4O3)C2=O)c1 96543689 XZZGUOOGSOXSNE-LSCADSNKSA-N 467.503 2.409 50 10 JEGE Cc1ccc(NC(=O)C(=O)N/N=C2\C(=O)N(CC(=O)Nc3ccccc3)c3ccccc32)cc1 103312118 GDGMHASWTYGOFZ-SLMZUGIISA-N 455.474 2.439 50 10 JEGE CCn1c(NNC(=O)[C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)nc2ccccc2c1=O 107925954 VGRLBLUYIDBLDY-QGZVFWFLSA-N 451.502 2.480 50 10 JEGE CC1(C)O[C@@H]2CO[C@](O)(CO)[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H]2O1 215743860 LYEYVIPMFIHSLX-NMOFPLQQSA-N 458.627 2.163 50 10 JEGE N#C/C(=C/Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)Nc1ccc(N)cc1 216904327 DVUVCRRIMRHPGA-YPKPFQOOSA-N 461.931 2.401 50 10 JEGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cccnc2)Cc2ccccc2)cc1OC 254404541 BKEGXUIEWIRJDP-UHFFFAOYSA-N 468.535 2.440 50 10 JEGE O=C(c1cc(I)ccc1O)N1CCN2C[C@H](Br)C[C@@H]2C1 405290038 ZPGJNKHJZNCSQV-MWLCHTKSSA-N 451.102 2.290 50 10 JEGE C=CCCc1ccccc1NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1466315646 PRZADKCYTUJKGZ-UHFFFAOYSA-N 458.540 2.293 50 10 JEGE O=C1CN(c2ncc(I)cc2Br)CCN1CCBr 2069529450 QARXVVBRQGURAL-UHFFFAOYSA-N 488.949 2.492 50 10 JEGE CC[C@H](C)[C@H](CI)NS(=O)(=O)c1nn(C)cc1Br 2081254002 RXJIEIPHTDKMCP-CBAPKCEASA-N 450.140 2.311 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Cl)C2(CCOCC2)C1 2174370244 CKNSYEMKFCCUFQ-QFBILLFUSA-N 458.939 2.060 50 10 JEGE Cn1ncc(C(=O)N2C[C@H]3OCCC[C@]3(CBr)C2)c1I 2239178817 GMCBDMCCXMHXAN-MFKMUULPSA-N 454.106 2.041 50 10 JEGE C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCc2c(B(O)O)cccc21 2283978325 ASURSAOPYUOUBJ-VGSWGCGISA-N 468.359 2.144 50 10 JEGE CCOc1cc(C=NNC(=O)CCNc2nnc(O)nc2O)ccc1OCc1ccccc1 2323181962 YJPMUHDEPHOFPL-UHFFFAOYSA-N 452.471 2.213 50 10 JEGE Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccccc2Cl)c1Cc1ccc([N+](=O)[O-])cc1 27498457 HCMWKXQFEZSMRW-LSHDLFTRSA-N 467.833 2.149 50 10 JEGE COCCN(CCOC)c1ncnc(NNC(=O)c2ccccc2Br)c1[N+](=O)[O-] 40618319 VCPDFYVTTHMHFR-UHFFFAOYSA-N 469.296 2.003 50 10 JEGE Cc1c(C(=O)NCCCN2CCOCC2)oc2c1/C(=N/NC(=O)Cc1ccccc1)CCC2 40815635 WSBLXRGLUHKSSY-NHFJDJAPSA-N 452.555 2.439 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC12CC(CBr)(CO1)C2 2103341604 JOVFBPGRCOZWSP-UHFFFAOYSA-N 485.400 2.172 50 10 JEGE C[C@@H]1CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C[C@@H](CBr)O1 703965627 RDYOAAKLGXIXIO-ZIAGYGMSSA-N 473.389 2.123 50 10 JEGE C=CC[C@@]1(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)CCCN1C(=O)OC(C)(C)C 1135362248 ZMXUJCCMEHOIGU-QHCPKHFHSA-N 455.515 2.040 50 10 JEGE C#C[C@H](NC(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1ccc(Cl)cc1)[C@H]1CCCO1 1616964075 MUDFCVZERCYEOA-BRPHKXCKSA-N 451.914 2.283 50 10 JEGE C=C[C@@H](COC)NC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 1681667071 JFPJTBXOQJNXIE-AWEZNQCLSA-N 452.920 2.286 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@](F)(CBr)C1 2000539752 MHKGPGOSCXRPBD-SJORKVTESA-N 465.316 2.150 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2C[C@@H](Br)[C@H]1C2 2008058168 KEXBTBSHSFPXHG-WMNQNFFBSA-N 459.337 2.198 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H]1C[C@H](Br)CCO1 2036677640 FGYLKOBCEBROHJ-ZIAGYGMSSA-N 473.389 2.171 50 10 JEGE Cc1scc(C(=O)NCCCONC(=O)OCC2c3ccccc3-c3ccccc32)c1B(O)O 2303617384 JVLXNCCOWVRTNB-UHFFFAOYSA-N 480.351 2.327 50 10 JEGE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1sc(Cl)cc1B(O)O 2320674660 JNUMOSFKTCXGIQ-FZKQIMNGSA-N 482.795 2.196 50 10 JEGE CCOc1cc(/C=N/NC(=O)CSc2nnc(N)s2)ccc1OCC(=O)N1CCCCC1 40947219 HGZGECFAYNDZQI-SSDVNMTOSA-N 478.600 2.153 50 10 JEGE C=CCOc1ccc(C=NNC(=O)CC(=O)NCCc2ccc(OC)c(OC)c2)cc1OC 1084265506 JUGQGNABGHJRFW-UHFFFAOYSA-N 455.511 2.476 50 10 JEGE C#Cc1cccc(NC(=S)NNC(=O)c2c(F)ccc(S(=O)(=O)NC3CC3)c2F)c1 1176937630 QPLLRJXHGAMXQV-UHFFFAOYSA-N 450.492 2.018 50 10 JEGE O=C(O)c1cc(B(O)O)cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c1 1887521977 UVWVYMMHZTWQCO-UHFFFAOYSA-N 472.306 2.136 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](Br)C2(CC2)C1 1944735500 GMOPTHSEBXEDAT-OAHLLOKOSA-N 455.374 2.498 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1C[C@](C)(CBr)C1 2009755440 HWFODLQTIUYMLT-IGNZVWTISA-N 461.353 2.494 50 10 JEGE O=C(CCCNC(=O)OCC1c2ccccc2-c2ccccc21)NCc1cc(B(O)O)ccc1F 2257378710 SJAJVKAZZPDRCG-UHFFFAOYSA-N 476.313 2.441 50 10 JEGE N#CC(=CN=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1)C(=O)NCc1ccccc1 2296601250 TYUSPNWGILKUNA-LEWJYISDSA-N 466.588 2.481 50 10 JEGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)c1nscc1B(O)O 2301721994 FBCRTXMAJPCZIQ-QKKBWIMNSA-N 479.367 2.317 50 10 JEGE CC(=O)Nc1nnc(S(=O)(=O)N[C@@H](CCBr)COCc2ccccc2)s1 2343412454 QCADVHFWSYACHQ-ZDUSSCGKSA-N 463.379 2.145 50 10 JEGE COc1ccccc1C(=O)NNc1ncnc(NNC(=O)c2ccc(Br)cc2)c1N 40784512 DCIJGQXLYIVBSB-UHFFFAOYSA-N 472.303 2.344 50 10 JEGE CC(C)CNC(=O)/C(C#N)=C\N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(N(C)C)cc1 205502207 NDQMUIYPDOLYEX-XAJFBFMSSA-N 461.613 2.007 50 10 JEGE C#CC[C@]1(C(=O)NNC(=O)c2cc(Br)cn2C)CCCN1C(=O)OC(C)(C)C 1124613377 KNAVOVBNFLIFQE-LJQANCHMSA-N 453.337 2.342 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CBr)C[C@@H]1CCOC1 1883275375 SNOKSIOBTWUUIZ-KSMMKXTCSA-N 491.379 2.120 50 10 JEGE C[C@H](Br)[C@@H]1CCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2000545947 WGUKALXJZDPPCN-VEVIJQCQSA-N 461.353 2.446 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H]2C[C@H]2[C@@H]1CBr 2021753462 VFNNYGHYXHCFIL-XKQJLSEDSA-N 455.374 2.498 50 10 JEGE CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CN(S(=O)(=O)N1CCC(Br)CC1)C2 2136672430 IPQTZVWANNSZBF-GUYCJALGSA-N 452.415 2.327 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Cl)C2(CCOCC2)C1 2174369468 VAPGKFTZUQYUGL-KRWDZBQOSA-N 454.976 2.358 50 10 JEGE C[C@@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1cc(CBr)sc1Br 2179791281 PESQFTBWELILJV-ZETCQYMHSA-N 469.242 2.459 50 10 JEGE Cc1ccccc1Oc1nc2ccccn2c(=O)c1C=C(C#N)C(=O)N[C@@H]1CCS(=O)(=O)C1 2296846519 SZODIPGQAJQVJH-QGZVFWFLSA-N 464.503 2.006 50 10 JEGE O=C(CCC(=O)Nc1ccccc1Cl)NNC(=S)NC(=O)COc1ccc([N+](=O)[O-])cc1 12572578 DXLPVXMLBVVDES-UHFFFAOYSA-N 479.902 2.068 50 10 JEGE CC1(C)O[C@H]2CO[C@@](O)(CO)[C@@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H]2O1 575627102 LYEYVIPMFIHSLX-UEOMBKFZSA-N 458.627 2.163 50 10 JEGE in-vitro Cc1ccc(Cl)cc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)NC[C@H]2CCCO2)cc1 1084532474 LEWFCTDATKUBPA-LJQANCHMSA-N 472.929 2.411 50 10 JEGE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@@H]1CN(S(=O)(=O)CI)C[C@H]21 1983326518 BALFHEKUTUNQRG-LPWJVIDDSA-N 456.346 2.286 50 10 JEGE Cn1nnc(Br)c1CC(CBr)(CBr)[C@H]1CCS(=O)(=O)C1 2145947503 NGVJNNINKUPWQC-QMMMGPOBSA-N 494.047 2.331 50 10 JEGE CC1(CC(CBr)(CBr)[C@H]2CCS(=O)(=O)C2)CS(=O)(=O)C1 2153386481 OTOGIJMCPBTCEK-JTQLQIEISA-N 452.230 2.022 50 10 JEGE C[C@@H](Cl)CN1CCCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)CC1 2176859266 ZXRRBIYNGCLSSH-MRXNPFEDSA-N 456.008 2.274 50 10 JEGE Cc1sc(C)c(S(=O)(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)c1B(O)O 2255759901 IRALSFDNMDCWNA-UHFFFAOYSA-N 472.441 2.368 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2CC[C@@H](CCl)O[C@@H]2C1 2289349489 SNMOTHQUNDOMHH-ZEWMMAHBSA-N 458.939 2.059 50 10 JEGE Cn1nc(Br)cc1S(=O)(=O)NCC(F)(F)C(F)(F)CI 2361673208 YNHGURLHPQXCDK-UHFFFAOYSA-N 494.046 2.167 50 10 JEGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)COc1ccccc1 12502193 YDOBGOVRTZHORU-UHFFFAOYSA-N 452.330 2.237 50 10 JEGE CCOc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)COc2ccc(C)cc2)cc1 12503023 RHJRAMITHKJFEG-UHFFFAOYSA-N 458.540 2.213 50 10 JEGE CC(CCc1ccccc1)=NNC(=O)c1nnn(-c2nonc2N)c1-c1ccc2c(c1)OCO2 254489598 DGMDMFZXPMGXJR-UHFFFAOYSA-N 460.454 2.367 50 10 JEGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)N2CCN(C3CCCC3)CC2)cc1 920853052 HCGMOSDMTMFSLI-SILNSSARSA-N 476.581 2.428 50 10 JEGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(CS(C)(=O)=O)c(F)c2)cc1 1659826242 OIHSKONLPPRHNM-ZDUSSCGKSA-N 451.476 2.193 50 10 JEGE CC(C)(C)OC(=O)N1CC(N(OCc2ccccc2)C(=O)c2scc(B(O)O)c2Cl)C1 2247892578 DBBCGCVUFRONOU-UHFFFAOYSA-N 466.752 2.275 50 10 JEGE C=CCc1cccc(/C=N/Nc2nc(SCC(=O)NNC(=O)c3ccccc3)n[nH]2)c1O 59813501 DQJAFSFWQGMCHY-WSDLNYQXSA-N 451.512 2.238 50 10 JEGE COc1ccc(OCc2ccc(/C=N/Nc3nc(S[C@H](C)C(=O)NNC(C)=O)n[nH]3)o2)cc1 59880207 FWUUURBVHFWNIX-FZTAQKCPSA-N 473.515 2.079 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCCN(CCBr)CC1 703968138 XSNOBWPTQFXPTH-UHFFFAOYSA-N 486.432 2.041 50 10 JEGE Cc1ccc(C(=O)NNC(=O)COC(=O)C2CCN(C(=O)N(C)Cc3ccccc3)CC2)cc1 727559988 FULQZOVAZVBQIS-UHFFFAOYSA-N 466.538 2.263 50 10 JEGE C#C[C@H](NC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12)c1ccc(Br)cc1 1478897271 WYWMLXNUSHPUFD-INIZCTEOSA-N 454.284 2.015 50 10 JEGE COc1ccc(C=NNC(=O)CCCNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC 1772719729 QIMFLMMUCLZTQS-UHFFFAOYSA-N 459.499 2.390 50 10 JEGE COC[C@@](C)(CBr)CNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1926970950 DYFWVSNXIVPFBY-IBGZPJMESA-N 475.405 2.420 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@@H]2[C@H](CBr)[C@H]2C1 1944583810 RQQSRXPOGOFEBJ-COXVUDFISA-N 455.374 2.355 50 10 JEGE CC(C)(C)OC(=O)NC[C@@H]1CC[S@](=O)(=NS(=O)(=O)CI)C1(C)C 1983332986 CNWHNIDGDQOAQO-MLMJSJRWSA-N 480.390 2.500 50 10 JEGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(Cl)c(B(O)O)n1 2243685435 UUIWGHAPXOYMLU-CYBMUJFWSA-N 465.702 2.281 50 10 JEGE COc1ccc(NC(=O)CCNC(=O)OCC2c3ccccc3-c3ccccc32)c(B(O)O)c1 2248894990 OAFODHKODMQWTG-UHFFFAOYSA-N 460.295 2.242 50 10 JEGE CN(CCCBr)S(=O)(=O)N(C)Cc1c(Br)c(Br)nn1C 2364336915 SYOOXVZJFMVZOQ-UHFFFAOYSA-N 497.051 2.339 50 10 JEGE CN1CCC(N(C)c2ncnc(NNC(=O)c3ccccc3Br)c2[N+](=O)[O-])CC1 40658387 GSJWHIIIHRIPRR-UHFFFAOYSA-N 464.324 2.435 50 10 JEGE COc1ccc(OCC(=O)Oc2ccc(/C=C(/C#N)C(=O)N3CCOCC3)cc2OC)cc1 207212991 VYUUMEPYEUSLPC-AQTBWJFISA-N 452.463 2.454 50 10 JEGE CN(Cc1c(Br)c(Br)nn1C)S(=O)(=O)CI 1901081233 DYRWDVBORLQXNK-UHFFFAOYSA-N 486.955 2.099 50 10 JEGE COC[C@](C)(CBr)CNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1926970951 DYFWVSNXIVPFBY-LJQANCHMSA-N 475.405 2.420 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC[C@@H]1COC[C@H]1Br 2048708344 WYHDYSSXUMFBHV-CZUORRHYSA-N 473.389 2.028 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCO[C@@H]2C[C@H](CBr)C[C@@H]21 2135049146 RRGTUJPHWHPUBD-FHLIZLRMSA-N 485.400 2.267 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H]1CCOC[C@H]1Br 2316816499 APFVRVIIQIBVJU-IAGOWNOFSA-N 473.389 2.315 50 10 JEGE COc1cc(C=NNC(=O)CNC(=O)COc2ccccc2)ccc1OCC(=O)Nc1ccccc1 254507367 NAYDISOQEOKQIS-UHFFFAOYSA-N 490.516 2.358 50 10 JEGE CC(=NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C 254568633 BEIYDVNPDUJWGB-UHFFFAOYSA-N 454.359 2.454 50 10 JEGE COc1ccc2c(c1)C(=NNC(=O)CNC(=O)c1ccccc1Br)C(=O)N2C(C)C 1772720453 MLOYKYNVVNXXIF-UHFFFAOYSA-N 473.327 2.463 50 10 JEGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CC[C@@H]2CC[C@@H](Br)C[C@@H]2C1 2024504025 XLJPYZHLIINQAE-RRFJBIMHSA-N 455.374 2.498 50 10 JEGE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@H]3NS(=O)(=O)N1CCC(Br)CC1 2169566035 WTCNKUHSLOKDRZ-LZNONINNSA-N 464.426 2.324 50 10 JEGE O=C(CI)NC(NC(=O)CI)c1ccccc1Cl 100917531 XRCAFUAGJMRKAB-UHFFFAOYSA-N 492.482 2.441 50 10 JEGE CCOc1ccc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3S(=O)(=O)NC)CC2)cc1 727743395 XXJXREGCNXUZJO-KNTRCKAVSA-N 454.552 2.249 50 10 JEGE COc1ccc(C=NNC(=O)CCCSc2nnc(-c3ccccc3O)n2N)cc1OC 1084232383 ALVGHWRCSYXTLD-UHFFFAOYSA-N 456.528 2.404 50 10 JEGE CC(C)Oc1ccc(S(=O)(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1 1860770832 YRDJTFGYCLFUCB-UHFFFAOYSA-N 476.580 2.134 50 10 JEGE CCN(CC)C(=O)COc1ccc(/C=N\NC(=O)Cn2cnc3sc(C)c(C)c3c2=O)cc1 1860773831 GRYLROWMWGMPGW-GATIEOLUSA-N 469.567 2.472 50 10 JEGE COCCC1(NS(=O)(=O)CI)CCN(C(=O)OC(C)(C)C)CC1 1983331320 WAVYUVUJASIQLW-UHFFFAOYSA-N 462.350 2.105 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CBr)C1CCC1 2000543548 NGKNGNOTBDHJED-MAUKXSAKSA-N 461.353 2.494 50 10 JEGE CC(C)(C)OC(=O)N1CCC[C@@]2(NS(=O)(=O)N3CCC(Br)CC3)C[C@H]2C1 2106295005 CCVPVSTUELYQPA-SUMWQHHRSA-N 452.415 2.470 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H]1COCC[C@@H]1Br 2316819212 YULZRNGAJAOOPH-IRXDYDNUSA-N 473.389 2.315 50 10 JEGE C/C(=N\Nc1nc(SCC(=O)NNC(=O)c2ccc(F)cc2)n[nH]1)c1ccc2c(c1)OCO2 20923507 CKKDXDHZFVNKQB-FOKLQQMPSA-N 471.474 2.062 50 10 JEGE CC(C)CNC(=O)/C(C#N)=C\N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(N(C)C)cc1 102714234 NDQMUIYPDOLYEX-KMBUKGMZSA-N 461.613 2.007 50 10 JEGE N#C/C(=C/c1c(Oc2ccccc2Cl)nc2ccccn2c1=O)C(=O)N[C@H]1CCS(=O)(=O)C1 102847998 DUJFZRBFSKQROV-SZGZABIGSA-N 484.921 2.350 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2C[C@]2(CBr)C1 1906349587 QFQISAMVXTUHNG-IGNZVWTISA-N 459.337 2.057 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CC(F)(F)C[C@H]1CBr 1976197143 HDAKOGWEEVQEII-NSHDSACASA-N 451.289 2.107 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC1(CBr)CCC1 2000543482 MQMNRXBPYNSDBO-QGZVFWFLSA-N 461.353 2.495 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@]2(C[C@H](Br)CO2)C1 2137121110 JDADFQUFKSIHHF-YWZLYKJASA-N 485.400 2.411 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCO[C@@H]2C[C@@H](CCl)C[C@H]21 2199766121 RNSDQHNBQUVHFU-ITSWUFQBSA-N 458.939 2.059 50 10 JEGE C[C@@H](c1cc(B(O)O)cs1)N(C)C(=O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2256666578 UBEHUUMIUZRNAR-YJBOKZPZSA-N 462.377 2.057 50 10 JEGE Cc1cc(B(O)O)sc1CN(C)C(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2268654745 DAQOUMDVRWTLBP-OXQOHEQNSA-N 476.404 2.193 50 10 JEGE Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 2296544435 DLBFTSDZQDRVPA-GOSISDBHSA-N 478.530 2.314 50 10 JEGE Cc1nc2c3ccccc3nc(NNC(=O)CCC(=O)N3CCN(c4ccccc4F)CC3)n2n1 8614742 KQEZZZZKWOPGAX-UHFFFAOYSA-N 476.516 2.297 50 10 JEGE N#C/C(=C/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1)C(=O)NCc1ccccc1 103521814 CADIJGPZBWXFBH-HXWSVDCVSA-N 452.561 2.485 50 10 JEGE COC[C@](C)(CBr)CNS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1926971935 LFFUGDGHRDWMTL-GOSISDBHSA-N 461.378 2.030 50 10 JEGE Cn1nc(C(=O)NCCOCCCI)c(Br)c1Cl 2048147489 JZOKBYYNFCRFTF-UHFFFAOYSA-N 450.502 2.408 50 10 JEGE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H](NS(=O)(=O)N3CCC(Br)CC3)C[C@H]21 2137369626 RTEDKPOXSJFBPI-SPWCGHHHSA-N 452.415 2.372 50 10 JEGE CO[C@@H]1[C@H](OC)CN(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)N1CCC(Br)CC1 2279391492 NLMXTCWHTVRJOZ-KFWWJZLASA-N 450.374 2.205 50 10 JEGE COC[C@H](Br)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301116709 IANIWNGAORMSCL-CQSZACIVSA-N 461.378 2.172 50 10 JEGE O=C(CCCNC(=O)c1cccc([N+](=O)[O-])c1)N/N=C/c1ccc(I)o1 33959079 GOQKVSLAZJKNQC-VXLYETTFSA-N 470.223 2.453 50 10 JEGE O=C(NNc1ncnc(NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1[N+](=O)[O-])c1ccccc1 40657258 UIXKSOLGQYFVGO-UHFFFAOYSA-N 472.805 2.460 50 10 JEGE COc1ccc(Br)cc1/C=N/NC(=O)CSc1nnc(-c2ccncc2)n1N 58990366 PLOKTIBXOHMNLH-ZVBGSRNCSA-N 462.333 2.067 50 10 JEGE O=C(N/N=C1\C(=O)N(CN2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)c2ccccc21)c1cccs1 136579847 PGDAYCIYRJXRNC-AWWYYBHASA-N 473.558 2.467 50 10 JEGE Nc1nonc1-n1nnc(C(=O)NN=Cc2ccco2)c1CN1CCC(Cc2ccccc2)CC1 254898534 UTKVSRPVUQUINN-UHFFFAOYSA-N 475.513 2.044 50 10 JEGE CCO[C@H]1CCCN(C(=O)/C(C#N)=C/c2cn(CCC(N)=O)nc2-c2ccc(OC)cc2)C1 920850430 FBLHEWZJFUCVGS-DOIQENQNSA-N 451.527 2.369 50 10 JEGE CCN1CCN(S(=O)(=O)c2ccc(CCNC(=O)/C(C#N)=C/c3ccccc3)cc2)CC1 1859514127 YIOXRWAFCHNWFT-RELWKKBWSA-N 452.580 2.279 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CC[C@H](C(F)(F)CBr)C1 2020895613 OLRIQDGMMNKYPJ-LBPRGKRZSA-N 465.316 2.355 50 10 JEGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2255828571 USBDWRYAMHUKLO-UHFFFAOYSA-N 472.442 2.345 50 10 JEGE COc1cc(C=NNC(=O)CSc2nnc(O)nc2O)ccc1OCc1ccc(C)cc1 2323176558 LEWUNEVTAODLRS-UHFFFAOYSA-N 455.496 2.421 50 10 JEGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)c(Br)c1 12502108 PBRJTKCUPRGTFT-UHFFFAOYSA-N 467.301 2.380 50 10 JEGE Cc1ccc(OCC(=O)NC(=S)NNC(=O)COc2ccc([N+](=O)[O-])cc2)c(Br)c1 12571137 LTRLMYOUWWGBMX-UHFFFAOYSA-N 497.327 2.145 50 10 JEGE CC(=O)N1CCN(C(=O)/C(C#N)=C\N2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1 216988914 GTRAHTUOXKXZLE-DAFNUICNSA-N 457.578 2.492 50 10 JEGE CCC(CC)(CCn1cnc(I)c1I)C(=O)NN 395563774 CGXXWDJXKCVZAS-UHFFFAOYSA-N 476.100 2.279 50 10 JEGE O=C(NNC(=O)[C@H]1C[C@H]1c1cccc2ccccc12)c1cccc(S(=O)(=O)N2CCOCC2)c1 730735971 FMZWSYXVQLRSFR-GOTSBHOMSA-N 479.558 2.425 50 10 JEGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](OC[C@H]2C[C@H](S(C)(=O)=O)C2)C1 1905176399 OZDLDCKYPWREIP-ZDEQEGDKSA-N 459.346 2.249 50 10 JEGE CC1(C)[C@H](CBr)OCCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2108231606 RDTQDYQKDKPBRF-KXBFYZLASA-N 491.379 2.215 50 10 JEGE O=S(=O)(c1cnn(CCCBr)c1)N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 2179794921 LZFMYJFIKXEIGD-HDICACEKSA-N 453.406 2.421 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](Br)C[C@@H](F)C1 2213903688 LFBRKPHCUMHJGS-QWHCGFSZSA-N 461.353 2.446 50 10 JEGE O=C(NNC(=O)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1)c1cccc2cccnc12 729499162 ABWCQSWQOKCRDE-KRWDZBQOSA-N 471.514 2.171 50 10 JEGE C#Cc1cccc(NC(=S)NNC(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 1176933085 HCYDHXVFMHQBLP-UHFFFAOYSA-N 457.364 2.271 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC=C(CBr)CC1 2004221961 WPQFIZMSMCDJGU-GOSISDBHSA-N 459.337 2.368 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@@H]2[C@H](CBr)C[C@H]2C1 2005995102 UMDCMKKDKRGHFM-GRDNDAEWSA-N 455.374 2.355 50 10 JEGE C[C@@H](Br)C[C@H]1COCCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2065577683 UMQUCZWYORIYGG-CABCVRRESA-N 473.389 2.267 50 10 JEGE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C1)CN(S(=O)(=O)N1CCC(Br)CC1)C2 2106771336 HUVIHNKRXPLYOD-OKILXGFUSA-N 452.415 2.279 50 10 JEGE COc1ccc(NC(=O)[C@@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)c(B(O)O)c1 2248397253 JQNSHWXOISJMNM-OAHLLOKOSA-N 460.295 2.241 50 10 JEGE COCCN(C[C@H](C)Br)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2250572023 UWOOOUWPNOISQT-AWEZNQCLSA-N 461.378 2.124 50 10 JEGE CC(=O)N1CCCc2cc(S(=O)(=O)NNC(=O)c3ccccc3Br)ccc21 15243106 SRLDYTFAEGWCDP-UHFFFAOYSA-N 452.330 2.372 50 10 JEGE O=C(NNc1ncnc(NNC(=O)c2ccccn2)c1[N+](=O)[O-])c1ccc(Br)cc1 40657884 PCFOYQMPDSZJGA-UHFFFAOYSA-N 473.247 2.056 50 10 JEGE COc1cc(C(=O)NCC(=O)NN=C(C)/C=C\c2ccc3c(c2)OCO3)cc(OC)c1OC 254311524 RJBONOZDMIECIM-MBCATKQQSA-N 455.467 2.376 50 10 JEGE CCCCOc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCCCC2)cc1 254382083 ZVOWLWXZYQABEJ-UHFFFAOYSA-N 467.534 2.161 50 10 JEGE CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(F)cc2)c1C 912663501 HDQHNRPDWKTNMO-JAORQVBISA-N 486.569 2.292 50 10 JEGE CC(C)(C)OC(=O)N1CCC([S@@](C)(=O)=NS(=O)(=O)CI)CC1 1910108900 SWOOOPQPTYSJHI-OAQYLSRUSA-N 466.363 2.206 50 10 JEGE CN(C[C@H](Br)C1CC1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000531747 DPBNXAPDOQGWES-YJBOKZPZSA-N 461.353 2.446 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCC[C@H](OCCBr)C1 2050834770 RLOYKUZVKRKQHJ-HNNXBMFYSA-N 473.389 2.269 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CCl)CC1CCOCC1 2195502130 NCAMJVWTMCQYJK-YWZLYKJASA-N 460.955 2.354 50 10 JEGE C[C@H](c1cscc1B(O)O)N(C)C(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2284060462 NQYYYJBGFYAEFZ-OSPHWJPCSA-N 487.431 2.117 50 10 JEGE O=C(Cn1c(O)nc2ccccc2c1=O)NN=Cc1ccc(OCC(=O)Nc2ccccc2)cc1 2328808916 SXBGOXDIJKYUDM-UHFFFAOYSA-N 471.473 2.270 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC2(CC[C@H](CBr)O2)C1 2336881791 IKYRVYJIXWSLNE-OAHLLOKOSA-N 485.400 2.411 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(CCCCl)C1CCOCC1 2381007315 GDGGVGJQCXSVTG-FQEVSTJZSA-N 460.955 2.451 50 10 JEGE CCOC(=O)c1cc(-c2ccc(F)cc2)n(CC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2Cl)c1C 9502162 YQFGVGHOOLGCAV-IAGOWNOFSA-N 456.923 2.300 50 10 JEGE COc1ccccc1/C=C1/SC(=S)N(CCC(=O)NNC(=O)c2ccccc2O)C1=O 33362404 JBXYUBABQIIWTQ-SFQUDFHCSA-N 457.533 2.453 50 10 JEGE CS(=O)(=O)N(CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccc2c3c(cccc13)CC2 59464108 JEFCPFXPHZGNPH-FSJBWODESA-N 468.491 2.469 50 10 JEGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\NCCCN1CCOCC1 217253931 DMWJVYBPSBVFGG-SQFISAMPSA-N 454.312 2.258 50 10 JEGE CCC(=O)NNC(=O)CSc1nnc(N/N=C/c2c(C)nn(-c3ccccc3)c2N(CC)CC)[nH]1 253566609 JDLWKHPNXRFQGJ-YDZHTSKRSA-N 498.617 2.241 50 10 JEGE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)CC1 727483243 MVGGSATXMOGZLG-UHFFFAOYSA-N 476.537 2.303 50 10 JEGE CN(CCCNC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1)S(C)(=O)=O 915178744 GMNFRJNXAKYNGL-GHRIWEEISA-N 474.974 2.422 50 10 JEGE CC(C)(C)OC(=O)N1C[C@@H](I)[C@H](OCC2CC(S(C)(=O)=O)C2)C1 1905179858 OZDLDCKYPWREIP-FIYWTHMPSA-N 459.346 2.249 50 10 JEGE C[C@@H]1CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C[C@H](CBr)O1 2029233226 QJKWLKNJOLTPAJ-CABCVRRESA-N 473.389 2.267 50 10 JEGE CC(C)(C)OC(=O)NCCN(CC(F)F)S(=O)(=O)N1CCC(Br)CC1 2044685059 VYKDZLQGYDBTJP-UHFFFAOYSA-N 450.346 2.182 50 10 JEGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1cnc(B(O)O)s1 2256617167 HLLWSAAGTWADRD-NYHFZMIOSA-N 493.394 2.393 50 10 JEGE CC(C)(C)OC(=O)N[C@@]1(C(=O)Nc2ccc(Cl)cc2B(O)O)CCN(Cc2ccccc2)C1 2268631922 DSYZCEMFGCJPSQ-QHCPKHFHSA-N 473.766 2.128 50 10 JEGE CC(=O)NNC(=O)CN1C(=O)[C@H](C)Oc2ccc(-c3nc(-c4ccccn4)sc3C)cc21 40600651 ZVAHBZUOSXMHJQ-LBPRGKRZSA-N 451.508 2.462 50 10 JEGE COc1cc(/C=C(\C#N)C(=O)N2CCN(C(=O)/C(C#N)=C/c3ccc(O)c(OC)c3)CC2)ccc1O 102622171 BVGALEGMDPHFBN-AYKLPDECSA-N 488.500 2.300 50 10 JEGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\[C@H]2C(=O)NC(=S)N(c3ccccc3)C2=O)cc1 103782707 UYQFDOPHVWJQPL-RVPYRKDQSA-N 468.535 2.065 50 10 JEGE Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1C(=NNC(=O)c1cccnc1)CCC2 1772746042 PVWIRPLSJIOJDN-UHFFFAOYSA-N 476.449 2.436 50 10 JEGE CN(CC1CC(Br)C1)C(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1887832866 KUVZDEIOOZBARM-RUXDESIVSA-N 453.399 2.043 50 10 JEGE C[C@H](Br)[C@@H](NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)C(F)(F)F 1990686334 MAZJTOGCDDBFQT-JOYOIKCWSA-N 457.268 2.306 50 10 JEGE C[C@@]12CN(S(=O)(=O)CCCCN3C(=O)c4ccccc4C3=O)C[C@@]1(CBr)C2 2001060517 ZAAUPRUWJPTDRN-MOPGFXCFSA-N 455.374 2.500 50 10 JEGE COC[C@]1(NS(=O)(=O)N2CCC(Br)CC2)CCCN(C(=O)OC(C)(C)C)C1 2162602500 PDRSDUMUUIRKCW-KRWDZBQOSA-N 470.430 2.096 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](F)C[C@H](Br)C1 2213903689 LFBRKPHCUMHJGS-STQMWFEESA-N 461.353 2.446 50 10 JEGE NNC(=O)C1(Cn2cnc(I)c2I)CCCCC1 2223140844 QSXRILPPAJMIES-UHFFFAOYSA-N 474.084 2.033 50 10 JEGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)c1ccc(B(O)O)cc1 2248415191 WLEXJNBUJZEUCM-SJORKVTESA-N 458.323 2.471 50 10 JEGE O=C(NC1(C(=O)NCCc2cccc(B(O)O)c2)CC1)OCC1c2ccccc2-c2ccccc21 2319275614 XPBAHPJUPRZARK-UHFFFAOYSA-N 470.334 2.096 50 10 JEGE O=C(NC1(C(=O)NCCc2ccccc2B(O)O)CC1)OCC1c2ccccc2-c2ccccc21 2319283897 DPWFLPWKWXZAEQ-UHFFFAOYSA-N 470.334 2.096 50 10 JEGE CCNC(=O)/C(C#N)=C\c1c(N2CCN(Cc3ccccc3)CC2)nc2c(C)cccn2c1=O 34720547 WPIXOHXFBOCTDU-PGMHBOJBSA-N 456.550 2.368 50 10 JEGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(CBr)cc2)[C@H](C(=O)O)C1 95086942 ZZOVCQOJRJVKEB-AWEZNQCLSA-N 463.350 2.276 50 10 JEGE COC(=O)c1cccc(C(=O)NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)c1 1865851577 DYZQIHQTGXIOHM-UHFFFAOYSA-N 462.487 2.373 50 10 JEGE CCOC(=O)C1=NO[C@H](Cc2c(C=NNC(=O)c3ccccc3)c3c(c(OC)c2OC)OCO3)C1 254759428 MTUVENXLFLHFIZ-OAHLLOKOSA-N 483.477 2.447 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@@H](CBr)C[C@@H]1CCCO1 1926760794 RGYNQEFNEKAPLS-CABCVRRESA-N 473.389 2.315 50 10 JEGE COC(=O)[C@H](I)CNC(=O)c1cc(I)ccc1F 2050464639 QRYDTRLVVWTMCC-SECBINFHSA-N 477.011 2.137 50 10 JEGE CC1(C)OC[C@@H](NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)[C@@H]1Br 2078732820 JQICTOIHQIMERC-CVEARBPZSA-N 473.389 2.313 50 10 JEGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H](C)c1cc(B(O)O)cs1 2268655200 JABQMBZXQGENKR-GQIGUUNPSA-N 476.404 2.446 50 10 JEGE Cc1cc(B(O)O)ccc1NC(=O)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2268791051 KQVKOMUTVUEJKG-UHFFFAOYSA-N 454.332 2.067 50 10 JEGE Cc1cccc(OCC(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2)c1 12503145 PYXBQKRTDKNUJB-UHFFFAOYSA-N 452.330 2.237 50 10 JEGE O=C(CCc1ccccc1Cl)NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 13623632 FMTUCXAEENGTGA-KRWDZBQOSA-N 458.971 2.343 50 10 JEGE CCN(CC)S(=O)(=O)c1ccc(Nc2ncnc(NNC(=O)COc3ccccc3)c2N)cc1 40759505 PHCNUAPLKWCWMA-UHFFFAOYSA-N 485.570 2.355 50 10 JEGE COc1ccc(C)cc1S(=O)(=O)NNC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 1860770273 AWUOURVLTSQJOL-UHFFFAOYSA-N 484.559 2.452 50 10 JEGE C[C@H](c1nscc1B(O)O)N(C)C(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21 2248885123 JMRHDFFOKYIQMA-OAHLLOKOSA-N 479.367 2.271 50 10 JEGE Cc1c(NC(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)ccc(B(O)O)c1Cl 2283946426 NOTLXIVMCBTXCV-SFHVURJKSA-N 490.749 2.294 50 10 JEGE COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C)cc2)cc1I 12502967 KZVBRQYGYLDRJH-UHFFFAOYSA-N 499.330 2.323 50 10 JEGE Cc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1I 13623058 OFPNPLCNKOHPKT-INIZCTEOSA-N 477.302 2.409 50 10 JEGE CCOC(=O)COc1c(Br)cc(/C=C(/C#N)c2nn(CCO)c(N)c2C#N)cc1OC 33552901 RICWVACUGJHRGP-MLPAPPSSSA-N 490.314 2.106 50 10 JEGE O=C(Cn1ncc2ccccc21)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1 730519085 GDDSVNSCQUARQU-UHFFFAOYSA-N 455.521 2.360 50 10 JEGE Cc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2nnc3cc(-c4ccccc4)nn3c2N)cc1 1088669426 CKOWXMYVXMZAMC-VAWYXSNFSA-N 472.534 2.031 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@@](CNS(=O)(=O)CI)(C(F)(F)F)C1 1983329133 GNXQBBIUAVUFID-NSHDSACASA-N 472.267 2.488 50 10 JEGE O=C(OCc1ccccc1)N1CCC[C@H](NS(=O)(=O)N2CCC(Br)CC2)C1 1999164590 PYIAXJKDPIZGJQ-KRWDZBQOSA-N 460.394 2.481 50 10 JEGE CC(C)(C)OC(=O)N(CCCC(=O)N1CCc2c(cccc2B(O)O)C1)Cc1ccccc1 2268679310 MQERTXHQZBFBMZ-UHFFFAOYSA-N 452.360 2.469 50 10 JEGE N#CC(=CN=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(F)cc1)C(=O)NCc1ccco1 2296553716 KAUAVNXJOQEGNM-RBUKOAKNSA-N 474.539 2.213 50 10 JEGE CC(C)(C)OC(=O)N1CCN(C[C@]2(CBr)CC2(F)F)[C@@H]2CS(=O)(=O)C[C@H]21 2351885394 JDYVXALLMWYPFC-LALPHHSUSA-N 459.353 2.125 50 10 JEGE CN(C[C@]1(Oc2ccc(C=O)c(B(O)O)c2)CCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C 2365049507 ZSRJPVVJEVKJEJ-RUZDIDTESA-N 468.359 2.069 50 10 JEGE Cc1ccc(NC(=O)CN2C(=O)/C(=N\NC(=O)C(=O)Nc3ccc(O)cc3)c3ccccc32)cc1 15776832 RIMVAWVDCKQPIJ-SLMZUGIISA-N 471.473 2.145 50 10 JEGE O=C(NNc1ncnc(NNC(=O)c2ccccc2[N+](=O)[O-])c1[N+](=O)[O-])c1cccc(Cl)c1 40658033 SXWNZWUCVNZLMG-UHFFFAOYSA-N 472.805 2.460 50 10 JEGE Cc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C(/C#N)C(=O)N[C@@H]1CCS(=O)(=O)C1 102990545 SZODIPGQAJQVJH-TXQCQQFXSA-N 464.503 2.006 50 10 JEGE CC(=NNc1nc(SCC(=O)NNC(=O)c2ccc(F)cc2)n[nH]1)c1ccc([N+](=O)[O-])cc1 1084495986 YEFOEQBOPXAKLF-UHFFFAOYSA-N 472.462 2.241 50 10 JEGE CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)c3cccc(F)n3)cc2)cc1 1470517207 GAKDZSSELLNCEV-UHFFFAOYSA-N 456.455 2.299 50 10 JEGE O=C(OCc1ccccc1)N1C[C@@H](NS(=O)(=O)CI)C2(CCC2)C1 1884479197 GOWJXSMKINLQDL-CQSZACIVSA-N 464.325 2.490 50 10 JEGE C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cc(CBr)sc1Br 2179792864 LMIAHPMGIZWRMR-SSDOTTSWSA-N 467.226 2.213 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H]2COC[C@@]2(CBr)C1 2226183799 USEMLDDWNZQMPV-FOIQADDNSA-N 485.400 2.126 50 10 JEGE CCCCNC(=O)C(=O)NN=Cc1ccc(OCC(=O)Nc2cccc(OC)c2)c(OC)c1 13136700 ONPIFDREIRHMOB-UHFFFAOYSA-N 456.499 2.088 50 10 JEGE COc1ccc(OC)c(NC(=O)C(=O)NN=C(C)CC(=O)Nc2ccc(OC)cc2OC)c1 254296322 QWVDWFFDGGJSQZ-UHFFFAOYSA-N 458.471 2.180 50 10 JEGE CCN(CC)Cc1c(C(=O)NN=Cc2ccc(OCc3ccccc3)cc2)nnn1-c1nonc1N 254520361 DWDWMAMZZNNKCN-UHFFFAOYSA-N 489.540 2.417 50 10 JEGE CCOc1cccc(C(C)=NNC(=O)c2nnn(-c3nonc3N)c2-c2ccc3c(c2)OCO3)c1 254578076 WSSLYUPGWJAECL-UHFFFAOYSA-N 476.453 2.181 50 10 JEGE O=C(COC(=O)C1CCN(c2nc3ccccc3s2)CC1)NNC(=O)[C@@H]1COc2ccccc2O1 728341991 DAWQDQOALXAQBT-IBGZPJMESA-N 496.545 2.043 50 10 JEGE O=C(NNC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)c1ccc(Br)cc1 1326917873 YVVBBYHZDOGPOQ-QGZVFWFLSA-N 480.384 2.452 50 10 JEGE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNc3ccc(C)cc3Cl)cc2)CC1 1635719387 PROKOOVCPPVAHV-UHFFFAOYSA-N 450.948 2.258 50 10 JEGE COC[C@@H](CCBr)NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942086450 ARAPJRCFUULYBF-CQSZACIVSA-N 461.378 2.172 50 10 JEGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(F)c(B(O)O)c(F)c1 2341184258 NWCRGOPMWBJZIV-ORAYPTAESA-N 464.274 2.082 50 10 JEGE Cn1cc(C(=O)NNC(=O)c2cc(S(C)(=O)=O)ccc2Br)c2ccccc21 728857115 DLLJFRAHXSCIER-UHFFFAOYSA-N 450.314 2.419 50 10 JEGE CC(=NNC(=O)c1ccccc1Br)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 729818154 IFHLFQIOVFWYCN-UHFFFAOYSA-N 488.385 2.329 50 10 JEGE O=C(NN=C1[C@H]2OC[C@@H](O2)[C@@H]2[C@H]1[C@H]2C(=O)c1cccs1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1848357823 OZCNKKYIDMVWOO-NFPQMFLLSA-N 458.408 2.151 50 10 JEGE CSCC[C@@H](C(=O)N1CCC[C@H](C(=O)NNc2ccccn2)C1)N1C(=O)c2ccccc2C1=O 1873777313 FEFOENGCHLHXQB-LPHOPBHVSA-N 481.578 2.181 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCO[C@H](CCBr)C1 2052697846 XJEICXRSSLJJML-CQSZACIVSA-N 473.389 2.124 50 10 JEGE COC1(CBr)CCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2108228573 AZILHNQYQOMHGX-SFHVURJKSA-N 491.379 2.217 50 10 JEGE C[C@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)C=Cc4ccc([N+](=O)[O-])s4)c(=O)c23)C1 2325893281 CVQSEPPBSBMNPN-NSHDSACASA-N 473.536 2.413 50 10 JEGE CC(C)[C@H]1C[C@@H](Oc2ncc(Br)cc2B(O)O)CN1C(=O)OCc1ccccc1 2344602839 KKWFSPHNTFTDGQ-SJLPKXTDSA-N 463.137 2.338 50 10 JEGE Cn1cc(C(=O)N/N=C/C2=C(N3CCOCC3)/C(=C\c3cccc([N+](=O)[O-])c3)CC2)ccc1=O 32690885 CZMFDMDIWUYSER-KPXPLDDESA-N 463.494 2.473 50 10 JEGE COc1ccc(O)c(/C=N/NC(=O)CSc2nnc(-c3ccccc3Br)n2N)c1 58988318 GBBHTPQHKQLCJL-ZVBGSRNCSA-N 477.344 2.378 50 10 JEGE COc1ccc(OC)c(NC(=O)C(=O)NN=C(C)CC(=O)Nc2ccccc2NC(C)=O)c1 252625384 QIZJFGPAADIRQU-UHFFFAOYSA-N 455.471 2.122 50 10 JEGE C#Cc1cccc(NC(=S)NNC(=O)[C@@H](CCCC)NC(=O)[C@H](C)NC(=O)C(C)(C)C)c1 1176937839 WTTMVDPBOBQHQD-MAUKXSAKSA-N 459.616 2.211 50 10 JEGE C#C[C@@H](NC(=O)NNC(=O)c1sc(N2CCOCC2)nc1C)c1ccc(Cl)cc1F 1230504004 GRRLPHHXSCUJKE-OAHLLOKOSA-N 451.911 2.399 50 10 JEGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(N3CCOCC3=O)c(C)c2)cc1 1664959712 RJUSPVFVTDKFNV-INIZCTEOSA-N 454.483 2.181 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@@H]2CC[C@@H](Br)[C@H]2C1 1942098333 NDKMRVVDDDQJTF-RRQGHBQHSA-N 455.374 2.498 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC2CC1(CBr)C2 2000533029 OEHDKVSXGGKMQQ-AFSSOGTRSA-N 459.337 2.200 50 10 JEGE CC(C)(C)OC(=O)N1CCC[C@H](c2nc(NS(=O)(=O)CI)n[nH]2)C1 2012992160 TXBPXGJOVZDIMR-VIFPVBQESA-N 471.321 2.053 50 10 JEGE CC1(C)OB(c2sc(S(=O)(=O)NCCSSCCN)cc2Cl)OC1(C)C 2282830668 YGPYIXLLOYNWPF-UHFFFAOYSA-N 458.889 2.319 50 10 JEGE COc1ccc([C@@H](C)NC(=O)C(C#N)=CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1OC 2325051833 WOYPYFSUSFCXLC-GOSISDBHSA-N 484.578 2.295 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCN2C[C@@H](Br)C[C@@H]2C1 2364213016 CUEFXKCOTPQOTF-DLBZAZTESA-N 498.443 2.326 50 10 JEGE Nn1c(N/N=C/c2cccc3ccccc23)nnc1SCC(=O)NNC(=O)c1ccc(F)cc1 20924115 JRXAQJLAAUQOSZ-BRJLIKDPSA-N 478.513 2.284 50 10 JEGE CCc1cccc2c(/C=C(/C#N)C(=O)NC[C@@H]3CCCO3)cn(CC(=O)N3CCOCC3)c12 1084070008 HZBCAWOSAPQXEU-FNGUVFISSA-N 450.539 2.265 50 10 JEGE C=CCNS(=O)(=O)c1cccc(C(=O)NNC(=O)c2cc(-c3ccc(CC)cc3)[nH]n2)c1 1295886409 CCTKHMFIQKZAQK-UHFFFAOYSA-N 453.524 2.178 50 10 JEGE Cc1ccc(C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1[N+](=O)[O-] 1865852282 RHICERCETAYFIX-NSHDSACASA-N 455.496 2.261 50 10 JEGE CC[C@@H]1CN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@@H]1Br 2000534500 VYDBMFBZEJHIHI-MRAWALMUSA-N 461.353 2.446 50 10 JEGE O=C(C=Cc1cccs1)NC(=S)NNC(=O)Cn1nnc(-c2cc(Cl)cc(Cl)c2)n1 2297563101 YLCMBGKGVNJEPQ-UHFFFAOYSA-N 482.378 2.444 50 10 JEGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccccc1B(O)O 2301662478 PCDFKXALNDHQDD-XMMPIXPASA-N 458.323 2.300 50 10 JEGE Cc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(/C#N)C(=O)N[C@H]1CCS(=O)(=O)C1 33715462 SAGWAHPXEXDVSY-FSEPTYSPSA-N 478.530 2.314 50 10 JEGE CCOc1cc(/C=N/NC(=O)CCCSc2nnc(-c3ccccc3O)n2N)ccc1O 58992057 OATMGDMPILMDGR-YDZHTSKRSA-N 456.528 2.491 50 10 JEGE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NN=Cc2cccc(Br)c2)cc1 1084351777 ZMUFPCMTOPLPRM-UHFFFAOYSA-N 467.345 2.178 50 10 JEGE C=CCc1cccc(C=NNc2nc(SCC(=O)NNC(=O)c3ccc(F)cc3)n[nH]2)c1O 1084522529 DPWJXPFFWQKDQB-UHFFFAOYSA-N 469.502 2.377 50 10 JEGE CC(=O)N[C@H](C(=O)NNC(=O)c1cnn(-c2ccccc2)c1)c1cccc(Br)c1 1126093112 OFLZQUXYRFFAGP-SFHVURJKSA-N 456.300 2.273 50 10 JEGE O=C(NS(=O)(=O)c1ccc(CCNC(=O)C(F)(F)F)cc1)Oc1ccc([N+](=O)[O-])cc1 1859004761 MMAFAMAEUPOSPT-UHFFFAOYSA-N 461.374 2.293 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2C[C@H]1[C@@H]2CBr 2024034855 LPZVPRNUROLUEA-ZKRNXSKHSA-N 459.337 2.056 50 10 JEGE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1cc(B(O)O)cs1 2243926142 FZZZOTCKUQPOLE-UHFFFAOYSA-N 464.352 2.361 50 10 JEGE COc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OC)c(I)c2)cc1 12502797 RAGSZBRRQHIPAD-UHFFFAOYSA-N 485.303 2.258 50 10 JEGE O=C(c1cc(I)ccc1O)N1CCN2C[C@@H](Br)C[C@@H]2C1 405290036 ZPGJNKHJZNCSQV-GXSJLCMTSA-N 451.102 2.290 50 10 JEGE COc1ccccc1OCC(=O)NNC(=O)[C@H](C)n1cnc2sc3c(c2c1=O)CC[C@H](C)C3 1860772484 ZXWPDRGPJUGZTR-KBPBESRZSA-N 470.551 2.379 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2C[C@H](Br)[C@H]1C2 2008070188 XEKLSBRBZXIYBK-VBNZEHGJSA-N 455.374 2.496 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](Cl)C2(CCOCC2)C1 2174369469 VAPGKFTZUQYUGL-QGZVFWFLSA-N 454.976 2.358 50 10 JEGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2scc(B(O)O)c2C1 2299774174 NQMKHQQMPXNFFG-HNNXBMFYSA-N 476.363 2.240 50 10 JEGE COC[C@@H](CBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301116796 JDIMYVKTPIMCJN-CQSZACIVSA-N 461.378 2.172 50 10 JEGE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)Nc2cc(F)c(F)cc2B(O)O)C1 2379880860 WIZPXICSXAAKDH-UHFFFAOYSA-N 476.285 2.037 50 10 JEGE Nc1c(NNC(=O)c2ccncc2)ncnc1NNC(=O)C(c1ccccc1)c1ccccc1 40793737 NDAPENOTQAREIS-UHFFFAOYSA-N 454.494 2.486 50 10 JEGE CC(C)COc1cccc(/C=N\NC(=O)[C@H](Sc2n[nH]c(=O)[nH]c2=O)c2ccccc2)c1 169891776 HFULETSOIJRCDK-OMMIQNFISA-N 453.524 2.477 50 10 JEGE CCCCOc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN(CC)CC)cc1 252623859 PAYWHHDAPQROPY-UHFFFAOYSA-N 455.523 2.017 50 10 JEGE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)/C(C#N)=C\c2cc(C)n([C@H](C)COC)c2C)CC1 727742967 LMNWAWLDOUIXNL-MLPWYGTASA-N 499.637 2.476 50 10 JEGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccccc2Cl)cc1)NC[C@@H]1CCCO1 1083944772 ZGYCHLJVISGAOI-KRWDZBQOSA-N 458.902 2.103 50 10 JEGE C[C@H]1CCC(C(=O)Nc2ccc(Cl)cc2)=C2NC=C(C(=O)NNC(=O)c3ccccc3)C(=O)N21 1088659684 JPIYIMDPVBDOFU-AWEZNQCLSA-N 479.924 2.449 50 10 JEGE C=CCOCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 1470908971 COYRKWDKGPQCCG-UHFFFAOYSA-N 452.920 2.287 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@@H]2CC[C@H](CBr)O[C@H]2C1 2273534278 OQWOCEJYQVMOHN-DAYGRLMNSA-N 485.400 2.267 50 10 JEGE CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2C)cc1 13976264 IJKPBEDSPGBSRK-UHFFFAOYSA-N 479.356 2.430 50 10 JEGE COc1ccc(N2NOC(=O)/C2=C(/O)N=C2[S+]=C(C(=O)Nc3ccccc3)C(C)=C2C#N)cc1 585673295 XHEPUZPHTHMKPH-UHFFFAOYSA-O 476.494 2.351 50 10 JEGE COc1ccc(OCCCC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1 1860771041 HDPKHLYCOVXFQI-UHFFFAOYSA-N 470.551 2.352 50 10 JEGE Cc1cc(C)c(S(=O)(=O)N2CCN(CC(=O)C(C#N)=C3NC(=O)c4ccccc4N3)CC2)c(C)c1 2040482466 QTRCTJISZURWFO-UHFFFAOYSA-N 493.589 2.078 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@H](OCCBr)C1 2113856356 MGJKLDMSGCQZMJ-LIRRHRJNSA-N 491.379 2.217 50 10 JEGE CC(C)(C)OC(=O)NCCN(Cc1ccccc1)C(=O)c1cc(F)c(B(O)O)cc1Cl 2248028020 DBVMIJYIEVPSSF-UHFFFAOYSA-N 450.703 2.326 50 10 JEGE CC(C)(C)OC(=O)N1CCN(CC2(CBr)CC(F)C2)[C@H]2CS(=O)(=O)C[C@@H]21 2265638053 IJNHVTDPACEAJH-CWVKQELPSA-N 455.390 2.218 50 10 JEGE CN1CC[C@H]([C@@H](Br)c2c(Br)c(Br)nn2C)S1(=O)=O 2316718612 VPPVQPPFGWSNPG-PHDIDXHHSA-N 465.993 2.415 50 10 JEGE COc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc(C)cc2)cc1I 12502996 YIPBFMGMMZBOSM-UHFFFAOYSA-N 499.330 2.323 50 10 JEGE Cc1cccc(OCC(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2)c1 12572177 JUHROFZZBZHGGJ-UHFFFAOYSA-N 452.330 2.237 50 10 JEGE CC(C)(C)OC(=O)NC[C@H]1COC(C)(C)CN1S(=O)(=O)N1CCC(Br)CC1 2194653680 MGJBWNPWALTKOF-AWEZNQCLSA-N 470.430 2.095 50 10 JEGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CC[C@H]2[C@H](CCC[C@H]2Br)C1 2213405492 NKAZVQBKIGGMMA-JKIFEVAISA-N 455.374 2.498 50 10 JEGE C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1)c1cc(B(O)O)cs1 2256626469 KJCSXEHOWKSPDA-DOXZYTNZSA-N 462.377 2.104 50 10 JEGE C[C@@H](c1cscc1B(O)O)N(C)C(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2268701873 SDKIDLQSYUOGHI-FUHWJXTLSA-N 476.404 2.448 50 10 JEGE CCc1cc(B(O)O)ccc1NC(=O)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2284137043 JPDCPPWCVXDISX-UHFFFAOYSA-N 468.359 2.321 50 10 JEGE COc1cc(C=C(C#N)C(=O)N2CCN(C(=O)C(C#N)=Cc3ccc(O)c(OC)c3)CC2)ccc1O 2297497748 BVGALEGMDPHFBN-UHFFFAOYSA-N 488.500 2.300 50 10 JEGE Cn1ncc(Br)c1S(=O)(=O)NCC(F)(F)C(F)(F)CI 2361672166 MXBDYJCWSVCBKN-UHFFFAOYSA-N 494.046 2.167 50 10 JEGE CN(CCCCl)S(=O)(=O)N(C)Cc1c(Br)c(Br)nn1C 2364335558 HJJSOCJFMLENNW-UHFFFAOYSA-N 452.600 2.182 50 10 JEGE COc1ccc(C(=O)NNC(=O)CSc2nnc(CCc3nc4ccccc4[nH]3)n2C)cc1 6444730 UUATZQLNTOPJBB-UHFFFAOYSA-N 465.539 2.039 50 10 JEGE O=C(NC(=S)NNC(=O)c1cc2ccccc2cc1O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 12502215 MOUULVWRTQKLOG-UHFFFAOYSA-N 455.408 2.311 50 10 JEGE COc1ccc(OCC(=O)NC(=S)NNC(=O)COc2ccc(C)cc2Br)cc1 13978834 UGGORCXBFLBSGD-UHFFFAOYSA-N 482.356 2.246 50 10 JEGE Cc1ccc(/C=N/NC(=O)CSc2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2N)cc1 58990492 GEODHXFQEMBQFU-AWQFTUOYSA-N 456.444 2.026 50 10 JEGE CC1(C)O[C@@H]2O[C@H](C(=O)N/N=C/c3cccc(Br)c3)[C@@H]3OC(C)(C)O[C@H]3[C@@H]2O1 252394571 VWRYINVXIDQZFU-MUMKWKQQSA-N 455.305 2.296 50 10 JEGE Cc1cccc(C)c1OCC(=O)NNC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860769847 JPBPNQBMFLXDEY-CYBMUJFWSA-N 454.552 2.426 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@@H](Br)C[C@]2(CCCO2)C1 1924283245 WKEUJTRHDAKEAD-IFXJQAMLSA-N 471.373 2.021 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@@H](Br)C[C@@]2(CCCO2)C1 1924283253 WKEUJTRHDAKEAD-LIRRHRJNSA-N 471.373 2.021 50 10 JEGE CN(CCN(CC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1Cl)Cc1ccccc1)Cc1ccccc1 2019313905 RRFLAHHZYYORIO-FGZHOGPDSA-N 464.031 2.141 50 10 JEGE Cc1c(NC(=O)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)ccc(B(O)O)c1Cl 2283957964 UNGLFPIDNQHEHE-DEOSSOPVSA-N 487.793 2.436 50 10 JEGE COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccccc1C 9696111 BNYDXSHIYIHXTF-UHFFFAOYSA-N 452.330 2.481 50 10 JEGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1/C(=N\NC(N)=S)CC(C)(C)C2 101110010 GUBNVTUPAZLUML-UUYOSTAYSA-N 458.500 2.081 50 10 JEGE N#CC1=Cn2c(sc(=Cc3ccc4c(c3)OCO4)c2=O)=C(C#N)[C@H]1c1ccc2c(c1)OCO2 254701649 SVWHQJDQJCNCAK-QFIPXVFZSA-N 455.451 2.032 50 10 JEGE O=C(N[C@@H](Cc1c(B(O)O)[nH]c2ccccc12)C(=O)O)OCC1c2ccccc2-c2ccccc21 394536869 PFCKSHGRJPPNKT-QHCPKHFHSA-N 470.290 2.382 50 10 JEGE COc1ccc(C)cc1C1(CNC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CCOCC1 728948244 BIIQGIOZCSTPLC-UHFFFAOYSA-N 482.585 2.089 50 10 JEGE COC(=O)c1ccc(C=NNC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(C(=O)O)cc2)cc1 1084419611 OTKOYNFQAXNMRO-SFHVURJKSA-N 452.492 2.115 50 10 JEGE C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)NNC(=O)Cc1ccccc1C 1651708740 OAGBCYSHEJRBQM-UHFFFAOYSA-N 456.616 2.283 50 10 JEGE Cc1c(CN)cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc1B(O)O 1887522880 WBOGZUXPGAPRBP-UHFFFAOYSA-N 471.366 2.205 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H]1CCC[C@H]1Br 2000545359 RTMACAMUANQUJG-DWQUBVKVSA-N 461.353 2.494 50 10 JEGE C[C@@]1(CBr)COCCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 2079152135 QXVGDXOJKYJYNI-IBGZPJMESA-N 473.389 2.126 50 10 JEGE CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)N2CCC(Br)CC2)C2(CCC2)C1 2264443510 YWMGGCSDOJZUSP-CQSZACIVSA-N 452.415 2.470 50 10 JEGE Cc1cc(NC(=O)C2(COCc3ccccc3)CN(C(=O)OC(C)(C)C)C2)cc(B(O)O)c1 2268790281 GVPVWQDIIAKYLZ-UHFFFAOYSA-N 454.332 2.067 50 10 JEGE Cc1cc(B(O)O)c(C(=O)NC2(CNC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)s1 2281783652 NOKYJZWUQNBVMJ-UHFFFAOYSA-N 487.431 2.026 50 10 JEGE C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(F)c(B(O)O)c(F)c1 2341210784 NWCRGOPMWBJZIV-YJYMSZOUSA-N 464.274 2.082 50 10 JEGE C=CCNS(=O)(=O)c1cccc(C(=O)NNC(=O)c2cc(-c3ccc(C)c(C)c3)[nH]n2)c1 1295891791 CCPBFMNZCDNDBI-UHFFFAOYSA-N 453.524 2.233 50 10 JEGE C=CCOCC(=O)NNC(=O)Cc1csc(=NCc2ccco2)n1-c1cccc(OC)c1 1440594986 NEFDICNIHBCJDO-UHFFFAOYSA-N 456.524 2.134 50 10 JEGE O=C(O)c1cc(S(=O)(=O)NC[C@H]2C[C@@H]2Br)ccc1I 1887792829 DSACPIFKBOEXCM-MUWHJKNJSA-N 460.087 2.051 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](Br)C(F)(F)C1 2000543674 XXUQGUWMZZNRNL-IUODEOHRSA-N 469.279 2.055 50 10 JEGE COC[C@@](C)(CCBr)NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2046021599 CQJVIXJWIIXGNN-QZTJIDSGSA-N 479.368 2.120 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](CCl)OC2(CCC2)C1 2165766841 PZBONYADMJVTCO-IFXJQAMLSA-N 458.939 2.203 50 10 JEGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1cc(B(O)O)cs1 2243675127 SBBOHRWUNRFCCA-HNNXBMFYSA-N 464.352 2.314 50 10 JEGE CC1(C)OCCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)[C@@H]1CBr 2267679431 JEIIUTCXIWEVNP-BEFAXECRSA-N 491.379 2.215 50 10 JEGE Cc1sc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc2ccccc2)c(B(O)O)c1C 2268655840 QHNVKXIOLOXDIH-FOIQADDNSA-N 476.404 2.160 50 10 JEGE Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNC(=O)Cn3nc(C)cc3C)cc2)cc1 26752694 PGNXPHVVXOUYEZ-UHFFFAOYSA-N 469.567 2.090 50 10 JEGE C[C@@H](NC(=O)/C(C#N)=C\N(CCN(C)C)[C@@H]1CCS(=O)(=O)C1)C12CC3CC(CC(C3)C1)C2 217047267 KQXQFYQAQXQWTN-VHJHPNLESA-N 462.660 2.166 50 10 JEGE O=C(CN1C(=O)C(=NNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc21)Nc1ccccc1 254393557 IRCDDDKIJUOXTN-UHFFFAOYSA-N 486.444 2.039 50 10 JEGE CCOc1cc(C=NNC(=O)c2c(C)nnn2-c2nonc2N)ccc1OCc1ccccc1F 254736904 INOZOUXOWTWXKF-UHFFFAOYSA-N 480.460 2.422 50 10 JEGE CCOc1ccc(C(C)=NNC(=O)c2nnn(-c3nonc3N)c2-c2ccc3c(c2)OCO3)cc1 254823834 ZLYMRAIHOFWDEX-UHFFFAOYSA-N 476.453 2.181 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@H]1COC2(CCC2)[C@H]1Br 2085559011 CPVLMPAOQODSMX-HOTGVXAUSA-N 471.373 2.067 50 10 JEGE O=S(=O)(N1CCC(Br)CC1)N1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21 2162208613 DARAMDYFUDQOGS-OALUTQOASA-N 458.422 2.066 50 10 JEGE C[C@@H](NC(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)c1cc(B(O)O)cs1 2256681564 NASOSJNGBQUFAZ-CRAIPNDOSA-N 462.377 2.105 50 10 JEGE OB(O)c1cc(OCc2cc(I)ccc2Br)ncc1Cl 2367628304 YIUQBYYOFABVBM-UHFFFAOYSA-N 468.281 2.361 50 10 JEGE NNC(=O)c1coc(COCc2ccc(I)c(Br)c2)n1 2377637424 ASWWLAOFHOZWCK-UHFFFAOYSA-N 452.046 2.362 50 10 JEGE C[C@@H]1CO[C@@H](CBr)CN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703963615 BORKICGIQTWCFK-KGLIPLIRSA-N 473.389 2.123 50 10 JEGE CCCOc1ccc(C(=O)NNC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1[N+](=O)[O-] 1860396061 CZKPWWGITHPPER-UHFFFAOYSA-N 454.439 2.221 50 10 JEGE C[C@@H](Br)CN1CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CC1 2113860651 GACLBSMILYNDLO-MRXNPFEDSA-N 486.432 2.184 50 10 JEGE CC(C)(C)OC(=O)N[C@@]1(C(=O)Nc2cc(Cl)ccc2B(O)O)CCN(Cc2ccccc2)C1 2268632741 NCOMPCQMYASKHH-QHCPKHFHSA-N 473.766 2.128 50 10 JEGE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)N1CCCc2c(B(O)O)cccc21 2284020444 MBANOHHTUUJHSS-IBGZPJMESA-N 468.359 2.146 50 10 JEGE CCc1ccc(OCC(=O)NNC(=O)CCCCC(=O)NNC(=O)COc2ccc(CC)cc2)cc1 100063219 CODKSVVIPFQIRB-UHFFFAOYSA-N 498.580 2.124 50 10 JEGE COc1cc2c(cc1NC(=O)CC(C)=NNC(=O)C(=O)N1CCOCC1)oc1ccccc12 254440228 FWAMPINQTPEOCA-UHFFFAOYSA-N 452.467 2.274 50 10 JEGE COc1ccc(OC)c(N(CC(=O)NN=Cc2cccnc2)S(=O)(=O)c2ccccc2)c1 1084298954 NCNXVRWYAFXRTH-UHFFFAOYSA-N 454.508 2.444 50 10 JEGE CO[C@H]1C[C@H](CBr)N(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2029232886 MTJVLFQXBGFMBT-CABCVRRESA-N 473.389 2.267 50 10 JEGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2sc(B(O)O)cc2C1 2248420260 QLLXHEYMIMDGOV-HNNXBMFYSA-N 476.363 2.240 50 10 JEGE O=C(NC1(C(=O)NCc2cc(B(O)O)ccc2F)CC1)OCC1c2ccccc2-c2ccccc21 2319043467 MLYUPMGITRGXEU-UHFFFAOYSA-N 474.297 2.193 50 10 JEGE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(F)c(F)cc1B(O)O 2351780278 DSXSICGPWJFBNB-DJJJIMSYSA-N 464.274 2.082 50 10 JEGE Cc1cc(Cl)ccc1OCC(=O)NNC(=S)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 12502261 BHHNACPAMJHRTE-UHFFFAOYSA-N 467.847 2.179 50 10 JEGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc(C)c1Cl 13979850 JHWIFRFCXMVSGV-UHFFFAOYSA-N 481.874 2.488 50 10 JEGE CN(CCCNC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1)S(C)(=O)=O 915178745 GMNFRJNXAKYNGL-LGMDPLHJSA-N 474.974 2.422 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@]1(F)C[C@@H](CBr)C1 2049517032 FTTFAJCOXBMYNS-PJSAGSTRSA-N 479.343 2.443 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H](CBr)OCC12CC2 2127556311 UEOADISENLASIK-HNNXBMFYSA-N 485.400 2.411 50 10 JEGE CC(C)n1cc(B(O)O)cc1C(=O)NCCNC(=O)OCC1c2ccccc2-c2ccccc21 2247759789 WSKOVZXZQXCFJG-UHFFFAOYSA-N 461.327 2.017 50 10 JEGE CN(CC1(Oc2cc(B(O)O)ccn2)CCN(Cc2ccccc2)CC1)C(=O)OC(C)(C)C 2270900418 RGNYKCPEHIHBOL-UHFFFAOYSA-N 455.364 2.042 50 10 JEGE CN(C)[C@@H]1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1Br 2338850791 VACNJHZJQVBEAY-ZWKOTPCHSA-N 486.432 2.182 50 10 JEGE CN1CCN(C(=O)c2c(Br)c(Br)nn2C)[C@@H](CCBr)C1 2364016415 YNVNTIHHCXXZPG-QMMMGPOBSA-N 473.007 2.486 50 10 JEGE N#C/C(=C/c1c(N2CCC3(CC2)OCCO3)nc2ccccn2c1=O)C(=O)NC1CCCCC1 34990378 KLQQYZMACQDLQC-VLGSPTGOSA-N 463.538 2.394 50 10 JEGE CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)NN=Cc2cc(C)n(C)c2C)c(OC)c1 252629493 UHHZSRXXKOZSFP-HSZRJFAPSA-N 497.552 2.371 50 10 JEGE Cc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)cc1C 1084640488 NDSCEJMTBJNCBC-NRFANRHFSA-N 452.511 2.066 50 10 JEGE CN(C[C@H]1C[C@@H](Br)C1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2020200723 GDPHOGBLTXQCNH-FHSNZYRGSA-N 461.353 2.446 50 10 JEGE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](NS(=O)(=O)c3ccc(CBr)cc3)[C@H]2C1 2178138662 ZEVKIYKPADDCLR-PMPSAXMXSA-N 461.378 2.494 50 10 JEGE COc1cc2c(C=NNC(=O)CCc3nc4ccccc4[nH]c3=O)c(C(=O)O)n(C)c2cc1OC 2321687254 PVPYVKMXFJBXCK-UHFFFAOYSA-N 477.477 2.213 50 10 JEGE CN(CC1(Oc2cc(B(O)O)c(F)cn2)CCN(Cc2ccccc2)CC1)C(=O)OC(C)(C)C 2370029614 OBZNDGBQUPBSCP-UHFFFAOYSA-N 473.354 2.181 50 10 JEGE CN(C)c1ccc(/C=C(/C#N)C(=O)OCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)cc1 97664025 HRLUJADMUGYBSC-WJDWOHSUSA-N 450.451 2.322 50 10 JEGE Cc1c(C(=O)NNC(=O)COc2ccccc2)oc2c1/C(=N/NC(=O)c1ccco1)CCC2 101606640 DENQAQYZFCAHKD-LFVJCYFKSA-N 450.451 2.491 50 10 JEGE Nc1nonc1-c1nc2ccccc2n1CC(=O)NN=Cc1ccc(-c2ccc(O)c(C(=O)O)c2)o1 254735929 FGOFJOMVKBRMFA-UHFFFAOYSA-N 487.432 2.483 50 10 JEGE CC(=O)c1ncc(C(=O)NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)s1 1623341049 MSHBBNGNMVNZPM-UHFFFAOYSA-N 450.523 2.283 50 10 JEGE C[C@](CBr)(NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O)C(F)F 2000534266 UXWJLMQRIGYRME-HZPDHXFCSA-N 471.295 2.349 50 10 JEGE O=S(=O)(N[C@H]1CN(Cc2ccccc2)[C@@]2(CCOC2)C1)N1CCC(Br)CC1 2162210791 DLCLZWZVVSDABV-MOPGFXCFSA-N 458.422 2.114 50 10 JEGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1c(F)cccc1B(O)O 2260954406 DLUFJLKWJDEBMU-INIZCTEOSA-N 476.313 2.091 50 10 JEGE Cn1cc(C(=O)NCCSSCCNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2267177420 NGNRJJNLZCXGCF-UHFFFAOYSA-N 486.469 2.355 50 10 JEGE CCCS(=O)(=O)N(C)NC(=O)c1cc(I)ccc1Br 2339716955 RWEWJCSZDUJMJP-UHFFFAOYSA-N 461.119 2.370 50 10 JEGE Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NNC(=O)c3cn(C)c4ccccc34)C2)cc1 14886456 FCWNRTQZBVTYPB-QGZVFWFLSA-N 454.552 2.349 50 10 JEGE CS(=O)(=O)[C@@H]1CSCCN1S(=O)(=O)c1cc(CCl)sc1Br 97656949 ZCBPEAUULJUSCT-SECBINFHSA-N 454.842 2.358 50 10 JEGE O=C1NC(=O)[C@@H](c2cc(I)cc(I)c2)[C@@H]1Cl 709818848 IDOFUCBKKBSPSP-YUMQZZPRSA-N 461.424 2.243 50 10 JEGE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)OCC(=O)NNC(=O)c2cccs2)CC1 727556692 BXLOUSKMDUVMAF-UHFFFAOYSA-N 458.540 2.016 50 10 JEGE Nn1c(SCCCC(=O)NN=Cc2cc([N+](=O)[O-])ccc2O)nnc1-c1ccccc1O 1084342409 ADFCFHZTYRVWOM-UHFFFAOYSA-N 457.472 2.001 50 10 JEGE CN1CCN(Cc2cccc(CNC(=O)NNC(=O)c3ccc(Br)cc3)c2)CC1 1321514042 YBHOCEWEZHZRLR-UHFFFAOYSA-N 460.376 2.341 50 10 JEGE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@]3(C)C[C@H]3Br)CC2)cc1 1684131448 NLQDZABLGSPRRU-SJLPKXTDSA-N 458.378 2.079 50 10 JEGE Cc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc(B(O)O)c(C)c1N1CCNCC1 1887521124 RWBYZVZOVVRTKJ-UHFFFAOYSA-N 485.393 2.432 50 10 JEGE O=S(=O)(CI)N[C@H]1CN(Cc2ccccc2)C2(CCOCC2)C1 1983330705 HICRPBLLUBKFKC-OAHLLOKOSA-N 450.342 2.122 50 10 JEGE CN(C)C[C@@H]1C[C@@H](Br)CN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2122389561 FDFNSBUMFGLQOQ-CVEARBPZSA-N 486.432 2.182 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1COC2(CCC2)[C@H]1Br 2141556623 MPHDZRQICXGYRO-VKJFTORMSA-N 489.363 2.015 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC(COCCCl)CC1 2167400852 YINBEBMLKOOXRQ-FQEVSTJZSA-N 460.955 2.308 50 10 JEGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc([N+](=O)[O-])cc2)c(OC)c1 2314737384 FLCZXFZLZSATMR-UHFFFAOYSA-N 455.423 2.257 50 10 JEGE COc1cc([N+](=O)[O-])ccc1NC(=O)C(C#N)=CN1CCN(Cc2ccc3c(c2)OCO3)CC1 2325225462 OFSJICAWKMCHCF-UHFFFAOYSA-N 465.466 2.496 50 10 JEGE CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)c1cn(C)c2ccccc12 10736364 QICRPXVAMSZGKM-QGZVFWFLSA-N 478.571 2.179 50 10 JEGE Cc1ccccc1C(=O)NNc1ncnc(NNC(=O)Cc2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-] 40657718 PQGHSFWSURONLJ-UHFFFAOYSA-N 466.414 2.044 50 10 JEGE CC(C)C(=O)NNC(=O)[C@@H](C)Sc1n[nH]c(NN=Cc2ccc(Br)cc2)n1 1084568163 MBNCTWYFWSZYMU-SNVBAGLBSA-N 454.354 2.297 50 10 JEGE C=C[C@@H]1OCCC[C@H]1NC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(OC)cc2)c1 1686531959 SSZHPTOQFHSBCD-UXHICEINSA-N 474.539 2.174 50 10 JEGE O=C(OCc1ccccc1)N1CCC2(CC1)C[C@@H](NS(=O)(=O)CCOCCCl)CO2 2192329222 BNICWUOEUAVURT-GOSISDBHSA-N 460.980 2.122 50 10 JEGE C[C@H](NC(=O)[C@@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(B(O)O)c1 2248415430 ACRDEPWLYJMDSS-DLBZAZTESA-N 458.323 2.471 50 10 JEGE C[C@@H](c1cc(B(O)O)cs1)N(C)C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2284060573 PCAHYEOXBXNSEC-BXKMTCNYSA-N 487.431 2.117 50 10 JEGE CCOc1ccc(-n2c(C)cc(C=C(C#N)C(=O)OCC(=O)N[C@H]3CCS(=O)(=O)C3)c2C)cc1 2297335568 KTTAQPCGFMHJIP-FQEVSTJZSA-N 485.562 2.246 50 10 JEGE O=C(COc1ccc(Cl)cc1Br)NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 13628918 WPDUARQPWXBVBO-NSHDSACASA-N 470.707 2.270 50 10 JEGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1 14657306 XVTVUMQOFUJBHA-UHFFFAOYSA-N 458.540 2.256 50 10 JEGE COc1cccc(/C(C)=N/NC(=O)CSc2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2N)c1 58992011 ONFPVNHSGOOYAT-SRZZPIQSSA-N 486.470 2.116 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC(OCCCBr)C1 2085890514 IUGAKFXIYAABNE-UHFFFAOYSA-N 473.389 2.124 50 10 JEGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)C=Cc2ccccc2OC)cc1 2313739194 DBPGPWILYZVGGU-UHFFFAOYSA-N 471.535 2.376 50 10 JEGE O=C(NC1(C(=O)NCCc2ccc(B(O)O)cc2)CC1)OCC1c2ccccc2-c2ccccc21 2319073248 NMSBQIDFSMUZOM-UHFFFAOYSA-N 470.334 2.096 50 10 JEGE COc1ccc(CC(=O)NNC(=S)NC(=O)c2ccccc2I)cc1 12501563 SYDINMPAOGUSCI-UHFFFAOYSA-N 469.304 2.178 50 10 JEGE CCOc1ccc(-c2c(C(=O)NN=Cc3cc(F)ccc3F)nnn2-c2nonc2N)cc1 254309381 RDVUHICOUAVSKQ-UHFFFAOYSA-N 454.397 2.340 50 10 JEGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2cccc(Cl)c2)cc1)NC[C@H]1CCCO1 1084278411 ISBGPISNPGOSKP-LJQANCHMSA-N 458.902 2.103 50 10 JEGE CCOc1cc(C=NNC(=O)C(=O)NCc2ccccc2)cc(I)c1O 1084616855 SQWVUJFWLVZWGQ-UHFFFAOYSA-N 467.263 2.162 50 10 JEGE C[C@@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)c(=O)c23)C1 1865852411 VLVKQSUQNQJFNA-CYBMUJFWSA-N 477.587 2.035 50 10 JEGE CC(C)(C)OC(=O)N1C[C@H](C(=O)NC[C@H]2C[C@@H](Br)C2)S(=O)(=O)C(C)(C)C1 1892657618 KBXNGCPHWVBVNS-FRRDWIJNSA-N 453.399 2.089 50 10 JEGE CN(C[C@@H]1C[C@@H]1Br)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O 1892658426 UVIOTBLQWHQLDD-RWMBFGLXSA-N 453.399 2.041 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@H]1C[C@@H]([C@H](F)CBr)C1 2021850227 SFAVZDKEELRPTP-DVOMOZLQSA-N 461.353 2.494 50 10 JEGE O=S(=O)(NCCC1(O)CCN(Cc2ccccc2)CC1)N1CCC(Br)CC1 2162203555 DXLXXHJRGRAXBW-UHFFFAOYSA-N 460.438 2.097 50 10 JEGE OB(O)c1cc(Br)cnc1OCc1ccc(Cl)cc1I 2365636062 NQCXSXOSIPOMBE-UHFFFAOYSA-N 468.281 2.361 50 10 JEGE O=C(CNC(=O)c1ccc2c(c1)OCO2)N/N=C1/C(=O)N(CCc2ccccc2)c2ccccc21 1501313 JJBPOLRYFHEHFY-RMLRFSFXSA-N 470.485 2.255 50 10 JEGE COc1ccccc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)NCc2ccccc2)cc1 725410517 CHCBDOOPPRZGNO-UHFFFAOYSA-N 460.490 2.479 50 10 JEGE Cc1cc(C)n(CC(=O)NNC(=O)CCN2CCN(C(c3ccccc3)c3ccccc3)CC2)n1 783488768 HZDCMXCNCNEBLW-UHFFFAOYSA-N 474.609 2.445 50 10 JEGE C=CCNC(=O)CN1CCN(C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CC1 818087182 MZYKVXLYGDSBEY-HKWRFOASSA-N 491.983 2.471 50 10 JEGE O=S(=O)(N[C@@H]1CN(Cc2ccccc2)[C@@]2(CCOC2)C1)N1CCC(Br)CC1 2162210792 DLCLZWZVVSDABV-OALUTQOASA-N 458.422 2.114 50 10 JEGE C[C@H]1CN(S(=O)(=O)c2cc(CBr)sc2Br)CCS1(=O)=O 2179791812 WSNBGECIFYMOIH-ZETCQYMHSA-N 467.226 2.213 50 10 JEGE Cc1ccc(CNC(=O)CCNC(=O)OCC2c3ccccc3-c3ccccc32)cc1B(O)O 2253235884 YAODHUKRESQXDU-UHFFFAOYSA-N 458.323 2.220 50 10 JEGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)cc1B(O)O 2256621120 QPGTWCRNBHXQCV-IFXJQAMLSA-N 462.739 2.457 50 10 JEGE C[C@@H](NC(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)c1cccc(B(O)O)c1 2268708155 XWJPZWLBZFGXBW-DYESRHJHSA-N 456.348 2.044 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC2(CCOCC2)[C@H]1CBr 2352880736 ODCNNQJBJYSJRO-QGZVFWFLSA-N 485.400 2.269 50 10 JEGE NNC(=O)c1nc(COCc2ccc(I)c(Br)c2)ns1 2377632967 IYZAMDYDOXZUFQ-UHFFFAOYSA-N 469.102 2.226 50 10 JEGE CC(C)(C)OC(=O)N1CC(c2c[nH]nc2NS(=O)(=O)N2CCC(Br)CC2)C1 2380427382 CIDRWQLOCNDMIE-UHFFFAOYSA-N 464.386 2.260 50 10 JEGE C/C(=N/NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(-n2ccnc2)cc1 34864328 HGBVWVKGURRQDA-ULJHMMPZSA-N 453.524 2.047 50 10 JEGE O=C(NNc1ncnc(NCCCN2CCOCC2)c1[N+](=O)[O-])c1ccc(Br)cc1 40623169 ADHNJFKHJPQEGK-UHFFFAOYSA-N 480.323 2.038 50 10 JEGE COC(=O)[C@@H](I)CNS(=O)(=O)c1ccc(Br)cc1Cl 234614516 LKTJPJJYPKKNJA-QMMMGPOBSA-N 482.521 2.357 50 10 JEGE Cc1cccc(NC(=O)CN2C(=O)C(=NNC(=O)C(=O)Nc3ccc(C(=O)O)cc3)c3ccccc32)c1 254680194 WJEDKNJNAIOXAE-UHFFFAOYSA-N 499.483 2.138 50 10 JEGE COc1ccc(C)cc1S(=O)(=O)NNC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O 1860770445 IELWTVZGSQVMKV-UHFFFAOYSA-N 484.559 2.452 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NCC[C@H]1COC[C@@H]1Br 2048704898 FKMHFJBDTGNHDL-YOEHRIQHSA-N 473.389 2.172 50 10 JEGE NNC(=O)CCCCCCn1cnc(I)c1I 2300616297 OAVIQOYGHXYWBP-UHFFFAOYSA-N 462.073 2.033 50 10 JEGE O=C(Cc1nnc(NC(=O)c2ccccc2)s1)NN=Cc1cc2c(c([N+](=O)[O-])c1)OCO2 13576423 ZKGGXOXURVOLQW-UHFFFAOYSA-N 454.424 2.120 50 10 JEGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2OCCOC)cc1 14660633 LIPWMOSDQIRWTE-UHFFFAOYSA-N 458.540 2.400 50 10 JEGE CN1CCN(c2nc3ccccn3c(=O)c2/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)CC1 33350339 DRVMXAZWDLEBEY-JXAWBTAJSA-N 469.954 2.438 50 10 JEGE CCOc1ccc(-c2c(C(=O)NN=C(C)c3ccc(O)c(OC)c3)nnn2-c2nonc2N)cc1 254398861 PIZBHPYGRZVDAN-UHFFFAOYSA-N 478.469 2.166 50 10 JEGE COc1ccc(C=NNC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)cc1[N+](=O)[O-] 1084334584 ZJDMMQAPFZOVRE-UHFFFAOYSA-N 485.316 2.282 50 10 JEGE C=CCOc1cn(-c2ccccc2)nc1C(=O)NNC(=O)Nc1ccc(S(C)(=O)=O)cc1 1633826445 OSBVPVMDIZUDKW-UHFFFAOYSA-N 455.496 2.307 50 10 JEGE O=C(OCc1ccccc1)N1C[C@H]2CC[C@H]1[C@@H](Nc1ncc(Br)cc1B(O)O)C2 2231675947 ZKDQPPZFVJMQDE-WBAXXEDZSA-N 460.137 2.126 50 10 JEGE O=C(CCCNC(=O)OCC1c2ccccc2-c2ccccc21)NCCc1cccc(B(O)O)c1 2257399339 FKIGBWDASDQAGC-UHFFFAOYSA-N 472.350 2.344 50 10 JEGE Cc1ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)c(F)c1B(O)O 2352964527 IYYQVAAFMGKLEI-YWZLYKJASA-N 460.311 2.251 50 10 JEGE Cn1nc(Br)c(Br)c1C(=O)N1CCN2C[C@@H](Br)C[C@H]2C1 2364230025 HCFIJKDHVJBVNA-YUMQZZPRSA-N 470.991 2.239 50 10 JEGE N#C/C=C1\Sc2ccccc2C(=O)N1CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 2626373 GVNBQXUVOARBAP-FBHDLOMBSA-N 468.560 2.133 50 10 JEGE COc1ccc(CC(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2C)cc1 12503648 QDEXEBNEGRPPRZ-UHFFFAOYSA-N 466.357 2.410 50 10 JEGE COc1cc(/C=N/NC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)ccc1OCc1ccccc1F 169925319 YQFCOTJXTMPKDJ-BRJLIKDPSA-N 454.458 2.181 50 10 JEGE CCc1ccccc1N(CC(=O)NN=Cc1ccc(OC(=O)OC)c(OC)c1)S(C)(=O)=O 252633888 WIGFYZSLQRVEKV-UHFFFAOYSA-N 463.512 2.319 50 10 JEGE CC(=O)N[C@](C)(C(=O)NNc1ncnc(Cl)c1C(C)C)c1ccc(S(C)(=O)=O)cc1 1451456017 SXCFKRZVDYHBHF-IBGZPJMESA-N 453.952 2.152 50 10 JEGE C=CCn1ncc2ccc(NC(=O)NNC(=O)CN(C)S(=O)(=O)c3ccc(C)cc3)cc21 1467381219 COACRFZELICTIJ-UHFFFAOYSA-N 456.528 2.004 50 10 JEGE C#C[C@@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(Cl)cc1F 1683516657 GAFYSXZBDUIGCG-QGZVFWFLSA-N 452.895 2.048 50 10 JEGE CC(C)(C)OC(=O)N1CCC[C@@H]1c1nc(NS(=O)(=O)CI)n[nH]1 1987353403 ZLUXTDFIJPKHTJ-MRVPVSSYSA-N 457.294 2.011 50 10 JEGE CC1([C@@H](CBr)NS(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2000536795 ABYKCGDUKAOUAL-RDTXWAMCSA-N 461.353 2.494 50 10 JEGE CC1(C)CN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@H]1Br 2000539491 KZCMJWNALNXGAZ-KDOFPFPSSA-N 461.353 2.446 50 10 JEGE O=C(N[C@@H]1COCC[C@H]1NS(=O)(=O)CCC(CCl)CCl)OCc1ccccc1 2044259144 YPOIBIPPYQJOBK-IAGOWNOFSA-N 453.388 2.474 50 10 JEGE O=S(=O)(CCCl)CCNS(=O)(=O)c1cc(Br)ccc1Br 2360921444 MFJUSTAXMPNICV-UHFFFAOYSA-N 469.604 2.144 50 10 JEGE Cc1ccc(C(=O)NC(=S)NNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1Br 13623404 JNKLHSHOQHDTLK-INIZCTEOSA-N 489.395 2.442 50 10 JEGE O=C(OCc1ccccc1)N1CCC2(CC1)C[C@@H](NS(=O)(=O)CI)CO2 1983334135 NZPKOZDPZSBFDG-OAHLLOKOSA-N 494.351 2.259 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC(I)CC1 1992342742 CZZFEFOCVPEXDQ-KRWDZBQOSA-N 494.326 2.240 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1C[P@](C)(=O)C[C@@H]1Br 2057707289 GLGFKZCQXYAFSC-WOTHAOSASA-N 495.307 2.069 50 10 JEGE CC(C)(C)OC(=O)N1CCC2(CC1)CN(S(=O)(=O)N1CCC(Br)CC1)C2 2106778511 DUSVLRLCXMWKKU-UHFFFAOYSA-N 452.415 2.423 50 10 JEGE Cn1ncc2c(=O)n(CCC(=O)NNC(=O)c3ccc(COc4ccc(Cl)cc4)cc3)cnc21 8852013 HQWJJXSFOHXBDJ-UHFFFAOYSA-N 480.912 2.214 50 10 JEGE COCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1 14660644 DQTQLLOSLOQGCY-UHFFFAOYSA-N 482.356 2.189 50 10 JEGE Cn1cc(Br)cc1C(=O)NNC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2 16270346 CSAOHOMAEPUUBF-UHFFFAOYSA-N 466.380 2.207 50 10 JEGE C/C(=N\NC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)c1ccccc1 48533722 GZUYUWVOLJVCDT-CJLVFECKSA-N 479.400 2.296 50 10 JEGE Cc1ccc(NCC(=O)NNC(=O)c2cc(S(=O)(=O)Nc3ccccc3F)c[nH]2)c(C)c1 728205626 UHXLFZRQCFMIHU-UHFFFAOYSA-N 459.503 2.445 50 10 JEGE COc1ccc(C(=O)NN=C2C(=O)N(CCN3C(=O)c4ccccc4C3=O)c3ccccc32)cc1OC 1084297414 KAIGNEKIZSQIGV-UHFFFAOYSA-N 498.495 2.481 50 10 JEGE CC(C)(C)OC(=O)NC1CC(C[S@](C)(=O)=NS(=O)(=O)CI)C1 1910109257 VGVOGPOKRGAQAS-BZRFMRBBSA-N 466.363 2.110 50 10 JEGE C[C@H](Br)CN1CCCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)CC1 2120332358 VNKGLQXFJAAKIM-INIZCTEOSA-N 486.432 2.184 50 10 JEGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1C[C@@H]2C[C@H](CBr)C[C@@H](C2)C1 2303479937 FLXFDZUYKXGAIM-QDMKHBRRSA-N 455.374 2.355 50 10 JEGE CCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)/C=C\c2ccc(OC)c(OC)c2)cc1 33621733 IHBVJYZBYZMKCF-SDQBBNPISA-N 456.524 2.401 50 10 JEGE COc1ccc2c(c1)/C(=N/NC(=O)CNC(=O)c1ccccc1Br)C(=O)N2C(C)C 38180327 MLOYKYNVVNXXIF-PLRJNAJWSA-N 473.327 2.463 50 10 JEGE CC[C@H](Br)C(=O)Nc1nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2s1 170503401 OSKGMTHJVRVNTP-LBPRGKRZSA-N 461.407 2.344 50 10 JEGE Cn1cc(C(=O)NNC(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)c2ccccc21 726496737 IBUQTPOGQQEOSB-UHFFFAOYSA-N 455.323 2.225 50 10 JEGE CN1CCN(C(=O)CN(C)C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CC1 842798638 DGQUNSYZHIZHPB-XMHGGMMESA-N 479.972 2.257 50 10 JEGE C[C@@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)CCC(=O)c4cccs4)c(=O)c23)C1 1860770218 YDDODLKJQCVHMB-GFCCVEGCSA-N 458.565 2.455 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC(F)(F)C[C@@H]1CBr 2046023184 QAUKBCCFRFUMAW-BZNIZROVSA-N 483.306 2.445 50 10 JEGE C[P@]1(=O)C[C@@H](Br)[C@H](NS(=O)(=O)Cc2ncsc2Br)C1 2226104365 GSEASPQXISLBRR-TXLFOSJXSA-N 452.130 2.464 50 10 JEGE O=S(=O)(NCCn1cnc(I)c1)c1ccc(CBr)cc1 2237144298 QAZWAWDUVRKMOX-UHFFFAOYSA-N 470.130 2.361 50 10 JEGE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(B(O)O)cc1F 2257489605 QBZCIPGQFDLHGY-UHFFFAOYSA-N 476.313 2.439 50 10 JEGE O=C(CCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S)NNC(=O)c1cccc(O)c1 2295934295 XUYSHCCHPDWYRZ-UHFFFAOYSA-N 471.516 2.173 50 10 JEGE CCOC(=O)c1ccccc1NC=C1C(=O)N(CCCN2CCCC2=O)C(=O)C(C#N)=C1C 2296535541 SFJSDJHIOSPYGI-UHFFFAOYSA-N 450.495 2.380 50 10 JEGE O=C1CC[C@H](N2C(=O)c3cccc(OCCCCCCI)c3C2=O)C(=O)N1 2049393780 JJKYGONZCXRJKJ-ZDUSSCGKSA-N 484.290 2.462 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@H]2CN(S(=O)(=O)N3CCC(Br)CC3)C[C@@H]2C1 2112470160 WHEIIYXOOLMWJW-KBPBESRZSA-N 452.415 2.279 50 10 JEGE O=C(O)[C@@H](CBr)NS(=O)(=O)c1cc(Br)ccc1Br 2320233616 YCMUAIMAHAYENE-SSDOTTSWSA-N 465.945 2.338 50 10 JEGE N#CC(=CNCCN1CCOCC1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324603029 XZYRKWJLTDZPEM-UHFFFAOYSA-N 459.594 2.249 50 10 JEGE COc1ccc(/C(C)=N/Nc2nc(S[C@H](C)C(=O)NNC(=O)C3CCC3)n[nH]2)cc1OC 59879327 WGTQZIKUWCWCDU-VTGBELTLSA-N 461.548 2.086 50 10 JEGE COc1ccc(CC(=O)NNC(=O)CSc2n[nH]c(/C=C\c3ccc(OC)c(OC)c3)n2)cc1 96602915 VNFIBWRTIMNSBJ-XFFZJAGNSA-N 483.550 2.483 50 10 JEGE COc1cc(/C=N/NC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)ccc1OCc1ccc(C)cc1 169925115 NHEOZYULQVDXLD-DHRITJCHSA-N 450.495 2.351 50 10 JEGE COc1cc(C(C)=NNC(=O)c2c(C)nnn2-c2nonc2N)ccc1OCc1ccccc1 254759934 YYXKOHLESDDBSV-UHFFFAOYSA-N 462.470 2.283 50 10 JEGE CCN(CCOCCBr)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703963596 ALLQDENZRYJLPD-UHFFFAOYSA-N 475.405 2.372 50 10 JEGE O=C(NNC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12)c1cccc(S(=O)(=O)N2CCOCC2)c1 730735970 FMZWSYXVQLRSFR-DHIUTWEWSA-N 479.558 2.425 50 10 JEGE CN1CCN(C(=O)CN(C)C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CC1 842798622 DGQUNSYZHIZHPB-RGEXLXHISA-N 479.972 2.257 50 10 JEGE COc1ccc(Cl)cc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)NC[C@H]2CCCO2)cc1 1084607472 BHFCQLCIXVODNE-GOSISDBHSA-N 488.928 2.111 50 10 JEGE CC(=O)c1ccc(S(=O)(=O)CC(=O)NNC(=O)CSc2ccc(Cl)cc2)cc1F 1463700583 YIDLYIIOGKCQKR-UHFFFAOYSA-N 458.920 2.395 50 10 JEGE COCC[C@]1(NS(=O)(=O)N2CCC(Br)CC2)CCN(C(=O)OC(C)(C)C)C1 2162600265 HUNHNIPOLXMRFZ-QGZVFWFLSA-N 470.430 2.096 50 10 JEGE Cc1cccc(OCC(=O)NC(=S)NNC(=O)c2ccccc2I)c1 12503061 UDUFOLUGKIXJQZ-UHFFFAOYSA-N 469.304 2.314 50 10 JEGE CC(C)(C)OC(=O)NNc1ccc(C(=O)NCCOCCOCCOCCN=[N+]=[N-])cn1 2049382351 HWQQBMDQCXUNFO-UHFFFAOYSA-N 453.500 2.023 50 10 JEGE CC(C)(C)OC(=O)NC1CC(C[S@](C)(=O)=NS(=O)(=O)N2CCC(Br)CC2)C1 2172247292 BCULXOBBONIHTQ-JGUWLOPCSA-N 488.470 2.492 50 10 JEGE CN(C[C@H](COCc1ccccc1)Oc1cc(B(O)O)c(Cl)cn1)C(=O)OC(C)(C)C 2252680599 LHUJRWGCPXIJKI-MRXNPFEDSA-N 450.728 2.246 50 10 JEGE Cc1c(B(O)O)csc1C(=O)NC1(CNC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2282145505 LYSJYEBWILJJRV-UHFFFAOYSA-N 487.431 2.026 50 10 JEGE O=C(NNC(=O)c1nccnc1C(=O)NCc1ccc(F)cc1)c1ccc(Br)cc1 1115950627 XUQHXDNXACQWAQ-UHFFFAOYSA-N 472.274 2.383 50 10 JEGE C/C(=C\c1ccncc1)C(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 1463674575 JWDYVJJGBJYCQR-SAPNQHFASA-N 450.520 2.425 50 10 JEGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cccc(-n3cnc(N(C)C)n3)c2)cc1 1562660364 NBVJQJPAZOJHJD-OAHLLOKOSA-N 451.487 2.156 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2CC[C@H](C1)C2Br 2048824508 YNNDKRDBNVWTSH-ICMXQALXSA-N 473.364 2.446 50 10 JEGE COCCn1[nH]c(Br)nc1=NCCSSCCNC(=O)OC(C)(C)C 2328474602 NNEFLNHISHBWPN-UHFFFAOYSA-N 456.432 2.427 50 10 JEGE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H](NS(=O)(=O)N3CCC(Br)CC3)C[C@H]12 2333021972 RTEDKPOXSJFBPI-MXAVVETBSA-N 452.415 2.372 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCN2C[C@H](Cl)C[C@H]2C1 2364209810 WPRPHCUAUGVOAX-SJORKVTESA-N 453.992 2.170 50 10 JEGE O=C(NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1cc(Cl)cc(Cl)c1 13630294 ZMAMNIZYXVJRIL-LLVKDONJSA-N 455.323 2.271 50 10 JEGE O=C(NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1cc(Cl)cc(Cl)c1 13630295 ZMAMNIZYXVJRIL-NSHDSACASA-N 455.323 2.271 50 10 JEGE COc1ccc(CC(=O)NNC(=S)NC(=O)CCC(=O)OCCCc2ccccc2)cc1 13999270 FHASGLJHCPOAAF-UHFFFAOYSA-N 457.552 2.216 50 10 JEGE CCOC(=O)C1=c2sc(=Cc3ccc(F)cc3)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccc(F)cc1 254715326 QTXDBPVWGLGEPR-IBGZPJMESA-N 465.481 2.179 50 10 JEGE CC(=O)c1ccc(Br)c(NC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)c1 1673981829 YIKMXXPCQIAUKO-UHFFFAOYSA-N 458.272 2.365 50 10 JEGE C[C@@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)COc4ccccc4Cl)c(=O)c23)C1 1860770209 XYXRGHGNZMUPKQ-GFCCVEGCSA-N 460.943 2.463 50 10 JEGE CC(C)(C)OC(=O)N1C[C@H](C(=O)NC[C@H]2C[C@H](Br)C2)S(=O)(=O)C(C)(C)C1 1892657619 KBXNGCPHWVBVNS-JHJVBQTASA-N 453.399 2.089 50 10 JEGE CC(C)(C)OC(=O)N1C[C@@H](CNS(=O)(=O)CI)[C@@H](C(F)(F)F)C1 1983328030 SPSLHCCPWVMFCV-BDAKNGLRSA-N 472.267 2.344 50 10 JEGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)NC[C@]1(CBr)C[C@@H]1C(F)(F)F 2017507945 NHRQJPGWJPTZLI-SWLSCSKDSA-N 469.279 2.166 50 10 JEGE CC(C)(C)OC(=O)N[C@H](CCOc1cc(B(O)O)c(Cl)cn1)COCc1ccccc1 2303521650 XBALAWPAXPKQNV-MRXNPFEDSA-N 450.728 2.294 50 10 JEGE COc1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccc(C)c(I)c1 13977154 KNXGOKHTOJFQDS-UHFFFAOYSA-N 499.330 2.323 50 10 JEGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2C)cc1Br 14662116 NZTCCCHTGMHBEV-UHFFFAOYSA-N 496.383 2.497 50 10 JEGE C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)c3cn(C)c4ccccc34)c2)C[C@H](C)O1 15093044 OBBUYMYRFSZDFV-HOTGVXAUSA-N 470.551 2.051 50 10 JEGE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)COc1ccc(Br)cc1 1540596755 YENMPWQNFRUMMU-OAHLLOKOSA-N 454.321 2.282 50 10 JEGE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNc3cc(F)cc(Cl)c3)cc2)CC1 1632438112 QDBYEIGILNLYBZ-UHFFFAOYSA-N 454.911 2.089 50 10 JEGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 1991913187 KQPBSNPRDOJVOJ-IBGZPJMESA-N 465.638 2.381 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC1CC([C@H](F)CBr)C1 2021786085 SFAVZDKEELRPTP-SEEARECTSA-N 461.353 2.494 50 10 JEGE CC(C)(C)OC(=O)N[C@H]1CN(S(=O)(=O)N2CCC(Br)CC2)CC(F)(F)C1 2127786082 ZPVHBHAECBYFLE-GFCCVEGCSA-N 462.357 2.325 50 10 JEGE Cc1sc(C(=O)NCC2(N(Cc3ccccc3)Cc3ccccc3)COC2)c(C)c1B(O)O 2267448371 XQMIWBYVZGOLQJ-UHFFFAOYSA-N 464.396 2.246 50 10 JEGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccccc2[N+](=O)[O-])c(OC)c1 2314737397 HEHHCXSSDLAIII-UHFFFAOYSA-N 455.423 2.257 50 10 JEGE C/C(=N/NC(=O)c1nnn(-c2nonc2N)c1CSc1ccccc1)c1ccc2c(c1)OCO2 15894611 VCAIZMPGGGTSGW-FMCGGJTJSA-N 478.494 2.408 50 10 JEGE O=C(NNc1ncnc(N2CCC(C(=O)O)CC2)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 40658696 HUDJDPCNJLIADP-UHFFFAOYSA-N 465.810 2.004 50 10 JEGE COc1ccc(N([C@@H](C)C(=O)NN=Cc2cc3c(cc2Br)OCO3)S(C)(=O)=O)cc1 1084387861 UOGMUQSVGVPHEX-LBPRGKRZSA-N 498.355 2.491 50 10 JEGE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNc3c(F)cccc3Cl)cc2)CC1 1128135495 FDTSCODASNRMBH-UHFFFAOYSA-N 454.911 2.089 50 10 JEGE O=C(CCCNC(=O)c1cccc([N+](=O)[O-])c1)NN=Cc1ccc(I)o1 1772719626 GOQKVSLAZJKNQC-UHFFFAOYSA-N 470.223 2.453 50 10 JEGE CCc1cc2c(=O)n(CC(=O)NNC(=O)c3ccc(I)cc3)cnc2s1 1860770188 XELSSCDIHHRGLS-UHFFFAOYSA-N 482.303 2.086 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2C[C@H]1C[C@H]2Br 2004621073 DJRZOHVQJHXIST-ABXQLRGKSA-N 459.337 2.198 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2C[C@@H](Br)[C@H]1C2 2008070187 XEKLSBRBZXIYBK-APHBMKBZSA-N 455.374 2.496 50 10 JEGE CCOC1(CBr)CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 2052828284 LBPSJTRJFBCRTN-UHFFFAOYSA-N 473.389 2.124 50 10 JEGE COc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccccc2[N+](=O)[O-])cc1I 14033845 INFYFRBQTZDHEG-JTQLQIEISA-N 485.234 2.437 50 10 JEGE COc1cc(C=NNC(=O)CCCSc2nnc(-c3ccccc3)n2N)c([N+](=O)[O-])cc1O 1084132717 YLZNFVPIVVOWIN-UHFFFAOYSA-N 471.499 2.304 50 10 JEGE C#C[C@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(Cl)cc1F 1683516656 GAFYSXZBDUIGCG-KRWDZBQOSA-N 452.895 2.048 50 10 JEGE O=S(=O)(C1CC(CBr)C1)N1CC[C@H](N2CCN(Cc3ccccc3)CC2)C1 2179954242 LMCBRGZSWZNAAX-GPJFCIFZSA-N 456.450 2.382 50 10 JEGE CC(C)(C)OC(=O)N1CC(Oc2ncc(Br)cc2B(O)O)(c2ccsc2)C1 2240287760 RYVJFAXEBLGYCC-UHFFFAOYSA-N 455.139 2.110 50 10 JEGE COc1ccccc1OCC(=O)NC(=S)NNC(=O)CCC(=O)Nc1ccccc1Cl 12571653 MTWOIJZKFKSWLA-UHFFFAOYSA-N 464.931 2.168 50 10 JEGE CC[C@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1 13630307 GFRPQDVFKWKEPS-HOCLYGCPSA-N 458.540 2.141 50 10 JEGE COc1cccc(/C=C/C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1 1860770175 WRTYQABBGSPDNU-KGXGESDWSA-N 452.536 2.452 50 10 JEGE O=C(Cn1c(O)nc2ccccc2c1=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 1873792920 SXBGOXDIJKYUDM-VULFUBBASA-N 471.473 2.270 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@]1(F)C[C@H](CBr)C1 2003049818 BSOAVGRXSAUEPG-KTXOBNNYSA-N 461.353 2.495 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H](CBr)C[C@H]2OCC[C@@H]21 2090531446 RAKLBIDRLUAPFB-RRQGHBQHSA-N 485.400 2.265 50 10 JEGE O=C(c1cccc(I)c1)N1C[C@@H]2OC[C@H](CBr)O[C@@H]2C1 2279904568 FLZZUAUILBHNCB-RWMBFGLXSA-N 452.086 2.295 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)Nc2cccc(B(O)O)c2F)C1 2283991611 TWIVPSMLQAYXIG-XMMPIXPASA-N 472.322 2.288 50 10 JEGE Cn1ncc(C(=O)N2C[C@@H]3CC[C@H](CBr)O[C@H]3C2)c1I 2289185851 HFSWXVUWHDJAIO-NGZCFLSTSA-N 454.106 2.039 50 10 JEGE COc1ccc(C(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1I 12578476 VDRVCJIHUZKZAF-UHFFFAOYSA-N 486.262 2.400 50 10 JEGE CCS(=O)(=O)CCCC(CBr)(CBr)[C@@H]1CCS(=O)(=O)C1 118875451 UVLQIJFYDZXLBN-LLVKDONJSA-N 454.246 2.412 50 10 JEGE C[C@H]1CN(S(=O)(=O)CI)C[C@@H](C)N1C(=O)OCc1ccccc1 1881743762 BCTFQTQEVXEUDP-BETUJISGSA-N 452.314 2.440 50 10 JEGE O=C(N1CCC[C@H]([C@H]2CCCCN2S(=O)(=O)CI)C1)C(F)(F)F 2007708211 KVIJUDDDYZSTNZ-WDEREUQCSA-N 468.279 2.364 50 10 JEGE O=S(=O)([C@H]1C[C@H](OCc2ccccc2)C1)N1CCN(CCOCCBr)CC1 2161297755 OAVNWLRGFDFASF-WGSAOQKQSA-N 461.422 2.093 50 10 JEGE O=S(=O)(N1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1)N1CCCC[C@@H]1CBr 2179816108 IOQPUXQFYSRAAF-QYZOEREBSA-N 458.422 2.066 50 10 JEGE Cc1cc(C(=O)NNC(=S)NC(=O)COc2ccc3ccccc3c2Br)[nH]n1 12503354 DCGPNNLRHKRZBQ-UHFFFAOYSA-N 462.329 2.348 50 10 JEGE O=C(CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)NNC(=O)c1ccc2ccccc2n1 28619303 BELAMIVYNJMBTE-UHFFFAOYSA-N 453.462 2.051 50 10 JEGE CCOc1cc([C@H]2[C@@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OCCN1CCOCC1 96576485 XJZWUPDFQIMZDA-RDGATRHJSA-N 488.592 2.151 50 10 JEGE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNc3cc(Cl)ccc3C)c2)CC1 1304402589 RFGICHWWKRIXGA-UHFFFAOYSA-N 450.948 2.258 50 10 JEGE CC[C@H](C)[C@H](C(=O)N1CCC[C@H](C(=O)NNc2ccccn2)C1)N1C(=O)c2ccccc2C1=O 1873777927 WSIFYQVPGRJQQC-XGHQBKJUSA-N 463.538 2.474 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@](CNS(=O)(=O)CI)(C(F)(F)F)C1 1983329132 GNXQBBIUAVUFID-LLVKDONJSA-N 472.267 2.488 50 10 JEGE C[C@H](NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O)C1(CBr)CC1 2000533570 RDKCQYKYJDJPGV-YVEFUNNKSA-N 461.353 2.494 50 10 JEGE C[C@H](NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)c1nnc(CBr)s1 2017514929 MLSZWTDHIVOBMR-JTQLQIEISA-N 473.374 2.100 50 10 JEGE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)[C@@H](Br)C2CCCC2)C1 2167047741 KZLGQWHQZURDLG-CABCVRRESA-N 467.426 2.481 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H](Br)[C@@H]2COC[C@@H]21 2338849777 LVWSSAWPMVDVME-BZSNNMDCSA-N 485.400 2.267 50 10 JEGE Cn1ncc(C(=O)N(CCCBr)C2CCOCC2)c1I 2381010432 DDZCBUDZDJFCIZ-UHFFFAOYSA-N 456.122 2.431 50 10 JEGE O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 747369300 GUELFJFGMRVQOX-NHCUHLMSSA-N 491.997 2.245 50 10 JEGE CC(=NNC(=O)CSc1nnc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1N)c1cccs1 1083971269 YWUFPPMPWRPLBV-UHFFFAOYSA-N 462.473 2.169 50 10 JEGE O=C(NC1CC2(C1)CN(S(=O)(=O)CI)C2)OCc1ccccc1 1881746578 UMUXBZHWXPBGMT-UHFFFAOYSA-N 450.298 2.100 50 10 JEGE C[C@@H]1CN(S(=O)(=O)c2cc(CBr)sc2Br)CCS1(=O)=O 2179791811 WSNBGECIFYMOIH-SSDOTTSWSA-N 467.226 2.213 50 10 JEGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NN=C/C=C\c3ccccc3[N+](=O)[O-])CC2)cc1 254631249 JOCMPPNTTXFRFQ-RCMDNSJOSA-N 471.539 2.025 50 10 JEGE COc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2C)cc1COc1ccc(F)cc1F 254838395 GVVKIGBYQIREOY-UHFFFAOYSA-N 484.423 2.171 50 10 JEGE CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)[C@H]3Cc4ccccc4O3)cc2)cc1 748283263 GMVLWTQRGVWRTH-JOCHJYFZSA-N 479.514 2.455 50 10 JEGE CC(=O)O[C@@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 1083818429 RDLYSPHPIQHWLE-XCDZQEORSA-N 462.568 2.091 50 10 JEGE CC(=O)N[C@@H](C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1)c1cccc(Br)c1 1638062895 IVXOPXPSARZQDK-APPDUMDISA-N 452.280 2.380 50 10 JEGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccccc2CN2C(=O)CCC2=O)cc1 1673856460 MXMSMZLPPXQSOI-OAHLLOKOSA-N 452.467 2.158 50 10 JEGE C[C@@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)COc4ccc(Cl)cc4)c(=O)c23)C1 1860770007 PGQVAEGIKBPEST-GFCCVEGCSA-N 460.943 2.463 50 10 JEGE C[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CN1S(=O)(=O)N1CCC(Br)CC1 2106774926 ZSZTYUBHVYDOII-NFAWXSAZSA-N 452.415 2.278 50 10 JEGE CC(C)(C)OC(=O)N1CCN(CC2(CBr)CC(F)C2)[C@@H]2CS(=O)(=O)C[C@@H]21 2265638054 IJNHVTDPACEAJH-DLOXAQCQSA-N 455.390 2.218 50 10 JEGE CCOCCOc1ccc(C(=O)NC(=S)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 9821924 MGJRCZIJQJGHPN-UHFFFAOYSA-N 477.539 2.077 50 10 JEGE O=C(CSc1n[nH]c(N/N=C/c2ccc(Cl)cc2Cl)n1)NNC(=O)C(F)(F)F 20833114 BKBQJDMNYPKFHR-RMOCHZDMSA-N 456.237 2.359 50 10 JEGE O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1cc(Br)c(N2CCOCC2)o1 59248988 JXXDJGTZCQCEBH-VXLYETTFSA-N 453.249 2.316 50 10 JEGE CC(C)C(=O)NNC(=O)[C@@H](C)Sc1n[nH]c(N/N=C/c2ccc(Br)cc2)n1 59879219 MBNCTWYFWSZYMU-NCMFSIOGSA-N 454.354 2.297 50 10 JEGE CCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)/C=C\c2ccc(OCC)cc2)cc1 206829765 BMKSSNUEPVKINY-AUWJEWJLSA-N 471.535 2.376 50 10 JEGE COC[C@H](CCBr)NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703994812 YQPVYSHZIWZENU-ZDUSSCGKSA-N 461.378 2.028 50 10 JEGE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)NNC(=O)CO)ccc1Cl 1611094715 JWRKUVBKWZAXLH-UHFFFAOYSA-N 458.323 2.128 50 10 JEGE CN(CC(F)(F)CBr)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1938122773 STDRWAWZKJAQGX-UHFFFAOYSA-N 453.305 2.355 50 10 JEGE CC(C)(C)OC(=O)NC[C@H](NS(=O)(=O)N1CCC(Br)CC1)C(F)(F)F 2044255884 WIKXRTKNLGAGRN-JTQLQIEISA-N 454.309 2.136 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@@H]2CN(S(=O)(=O)N3CCC(Br)CC3)C[C@H]2C1 2112470163 WHEIIYXOOLMWJW-ZIAGYGMSSA-N 452.415 2.279 50 10 JEGE C[C@H](NC(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)c1ccc(B(O)O)cc1 2268713403 XGZGDWZOJYBRQH-LAUBAEHRSA-N 456.348 2.044 50 10 JEGE N#CC(=CN[C@H]1CCS(=O)(=O)C1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2318454710 FBMNYMIXGVONTJ-QHCPKHFHSA-N 464.591 2.104 50 10 JEGE CCc1ccc(OCC(=O)NNS(=O)(=O)c2ccc(NC(C)=O)cc2)c(Br)c1 13977607 IXUVBOPNXPHNKC-UHFFFAOYSA-N 470.345 2.358 50 10 JEGE Nn1c(SCCCC(=O)N/N=C/c2ccc(O)cc2)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 58989526 SWFIICRPKHHPHN-SRZZPIQSSA-N 486.470 2.204 50 10 JEGE C[C@@H](Cc1ccc(Br)cc1)NC(=O)NNC(=O)C1CCN(c2ncccn2)CC1 728949146 NWQYSCNSKRSTJZ-AWEZNQCLSA-N 461.364 2.417 50 10 JEGE Cn1ncc2c(N3CCN(C(=O)/C(C#N)=C/c4cn(CCC#N)nc4-c4ccccc4)CC3)ncnc21 914466878 BWWQCAXVPQXDEN-XSFVSMFZSA-N 492.547 2.396 50 10 JEGE CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)O[C@@H]1CO[Si](C)(C)C(C)(C)C 1083805706 RDLYSPHPIQHWLE-SPOLIRPYSA-N 462.568 2.091 50 10 JEGE C=CCn1nc(C)c(-c2cc(C(=O)NNC(=O)c3cc(OC)c(OC)c(OC)c3)n[nH]2)c1C 1586881855 KYCUKLBBCKPJDV-UHFFFAOYSA-N 454.487 2.177 50 10 JEGE C[C@@H]1CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C[C@@H](CBr)O1 2029233228 QJKWLKNJOLTPAJ-HUUCEWRRSA-N 473.389 2.267 50 10 JEGE O=S(=O)(N1CCC(Br)CC1)N1CC[C@]2(CN(Cc3ccccc3)CCO2)C1 2162201933 NEENQUMXDSLZCC-IBGZPJMESA-N 458.422 2.067 50 10 JEGE CC(C)(C)OC(=O)NC1(C(=O)Nc2cccc(B(O)O)c2F)CCN(Cc2ccccc2)CC1 2283956021 IBTXXOROTKRHSD-UHFFFAOYSA-N 471.338 2.004 50 10 JEGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)N[C@H]3CCS(=O)(=O)C3)c(Oc3ccc(F)cc3)nc12 2296720225 ANTLQBMMFPNGQF-KRWDZBQOSA-N 482.493 2.145 50 10 JEGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)[C@H]1COc2ccccc2O1 2314793654 WSUJTOFPBXULNK-JOCHJYFZSA-N 450.447 2.206 50 10 JEGE COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)CCC(=O)NCc1ccccc1 9696117 ZHAZVJUFYUDGGS-UHFFFAOYSA-N 493.383 2.190 50 10 JEGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 13623527 DVJPNXFUWMQGTJ-SFHVURJKSA-N 454.552 2.158 50 10 JEGE C/C(=N\NC(=O)CCCSc1nnc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1N)c1ccncc1 58991514 UFWLECXNXOVHLJ-WSDLNYQXSA-N 485.486 2.283 50 10 JEGE Nn1c(SCC(=O)NN=Cc2cc(Br)ccc2O)nnc1-c1cccc([N+](=O)[O-])c1 1084502700 ZAJQUVQUPZWPLY-UHFFFAOYSA-N 492.315 2.278 50 10 JEGE C=CCNS(=O)(=O)c1cccc(C(=O)NNC(=O)c2cc(-c3cc(C)ccc3C)[nH]n2)c1 1466579192 XKLOYNIWSAYEAD-UHFFFAOYSA-N 453.524 2.233 50 10 JEGE C=CCNS(=O)(=O)c1ccc(CC(=O)NNC(=O)[C@H](C)Oc2cccc(Cl)c2)s1 1634392482 JDSTZOPEBWDZJW-LBPRGKRZSA-N 457.961 2.023 50 10 JEGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)NC[C@]1(F)CC[C@H](CBr)CC1 2008941265 YWWQZSKDBVKROQ-KTXOBNNYSA-N 461.353 2.495 50 10 JEGE COCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)N1CCC(Br)CC1 2163056023 NKTMOGIFMRHVCE-OAHLLOKOSA-N 470.430 2.048 50 10 JEGE Cn1ncc(I)c1CNS(=O)(=O)c1ccc(CBr)cc1 2189871403 DDOZYTQHNDQNSN-UHFFFAOYSA-N 470.130 2.398 50 10 JEGE CN(C[C@H]1C[C@H](Br)C1)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O 2197731952 FZCDPFWUOJLVGG-IHRRRGAJSA-N 467.426 2.431 50 10 JEGE C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1)c1cscc1B(O)O 2256621083 QCVRFBYYHFUDDC-YZVOILCLSA-N 462.377 2.104 50 10 JEGE C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1)c1ccc(B(O)O)cc1 2268635835 WETJXZOKVALZSX-FVJLSDCUSA-N 456.348 2.042 50 10 JEGE O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC(=S)NNC(=O)COc1ccc(Br)cc1 9229847 CLUSCFYWZPQFGO-XCVCLJGOSA-N 479.312 2.471 50 10 JEGE CC(C)C(=O)NNC(=O)[C@H](C)Sc1n[nH]c(N/N=C/c2cc(Br)ccc2O)n1 59879551 PKIHUMMBIUZRJO-LLADZKGESA-N 470.353 2.003 50 10 JEGE COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1/C=N/NC(=O)CCc1nc2ccccc2[nH]c1=O 1873496442 RMNSZVYPIKTKEC-BRJLIKDPSA-N 477.477 2.291 50 10 JEGE CN(C[C@@H]1C[C@@H]1Br)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O 1892658425 UVIOTBLQWHQLDD-AVGNSLFASA-N 453.399 2.041 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1[C@H]2CC[C@H]1[C@@H](F)[C@H](Br)C2 2016207560 RNTGEKIDEDTMEP-MWNCTCPHSA-N 459.337 2.341 50 10 JEGE CO[C@H]1C[C@@](CBr)(NS(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 2077893608 DWGQEUFDLRHGMY-XVDXERDNSA-N 473.389 2.171 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1[C@H](CBr)C[C@H]2OCC[C@H]21 2090542620 RDTMYKJWHMEEJQ-BMGDILEWSA-N 485.400 2.409 50 10 JEGE CC(C)(C)OC(=O)N1CC(N(OCc2ccccc2)C(=O)c2cc(Cl)cc(B(O)O)c2)C1 2255506809 VKOJKGQXMVBKHS-UHFFFAOYSA-N 460.723 2.213 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H]2OCC[C@]2(CBr)C1 2278886749 HSPCYRUJFGTNTO-XLIONFOSSA-N 485.400 2.269 50 10 JEGE C#CCOc1c(I)cc(C=C(C#N)c2nn(CCO)c(N)c2C#N)cc1OC 2295146350 KOKDSKNFAMGTOT-UHFFFAOYSA-N 489.273 2.019 50 10 JEGE COC(=O)[C@@H](I)CNC(=O)Cc1ccc(OC)cc1Br 2364183626 DPJALWLMAGMWSQ-NSHDSACASA-N 456.074 2.093 50 10 JEGE O=C(NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1ccc(Cl)cc1Cl 13630129 KXGDKVWDACZOQY-SNVBAGLBSA-N 455.323 2.271 50 10 JEGE O=C(NNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1cc(F)ccc1Br 728548994 ZKAUECSICDQUNJ-UHFFFAOYSA-N 484.347 2.450 50 10 JEGE CCO[C@H]1CCCN(C(=O)/C(C#N)=C\c2cn(CCC(N)=O)nc2-c2ccc(OC)cc2)C1 920850434 FBLHEWZJFUCVGS-UHWDDTASSA-N 451.527 2.369 50 10 JEGE COc1ccc(N([C@H](C)C(=O)NN=Cc2cccc(OC3CSC3)c2)S(C)(=O)=O)cc1 1084264518 HUZINCHYDHNSOP-OAHLLOKOSA-N 463.581 2.494 50 10 JEGE COc1ccc(CSCC(=O)NN=Cc2ccc(OCC(=O)N3CCOCC3)cc2)cc1 1084270290 YQRFBACVCAJQBV-UHFFFAOYSA-N 457.552 2.316 50 10 JEGE C#C[C@H](CO)NC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(OC(F)F)c(OC)c1 1625165253 IOVLNZUSWKALFI-BAPRJRNISA-N 455.421 2.091 50 10 JEGE CC1(C)CN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@H]1Br 2000539493 KZCMJWNALNXGAZ-RDTXWAMCSA-N 461.353 2.446 50 10 JEGE CC(C)(C)OC(=O)NCCC1(Oc2cc(B(O)O)ccn2)CCN(Cc2ccccc2)CC1 2231658051 ZRWHDTJJSLTHHG-UHFFFAOYSA-N 455.364 2.090 50 10 JEGE C[C@@H](O)CN(CCNC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(CBr)cc1 2269958506 DWEXBNBTKCWVPI-CYBMUJFWSA-N 451.383 2.478 50 10 JEGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)N[C@@H]3CCS(=O)(=O)C3)c(Oc3ccccc3)nc12 2296718578 ZLHOOROTZYAROY-QGZVFWFLSA-N 464.503 2.006 50 10 JEGE CC(C)(C)OC(=O)N1CC2(C1)CS(=O)(=O)CCN2C[C@@]1(CBr)CC1(F)F 2351888633 JQKFFBNFVMJCJQ-AWEZNQCLSA-N 459.353 2.127 50 10 JEGE O=C(COc1ccccc1)NNc1ncnc(N2CCN(c3ccccc3F)CC2)c1[N+](=O)[O-] 40659496 RDSNGIMOXFFCOH-UHFFFAOYSA-N 467.461 2.373 50 10 JEGE C/C(=N\Nc1nc(SCC(=O)NNC(=O)C2CCC2)n[nH]1)c1ccc(Br)cc1 59880984 KGNFUVUGTKFVHW-KEBDBYFISA-N 466.365 2.443 50 10 JEGE O=C(NNC(=S)Nc1ccccc1)[C@@H]1CCCN([C@H]2CC(=O)N(c3ccccc3)C2=O)C1 250535671 LFOHMNGZQWTVNQ-APWZRJJASA-N 451.552 2.048 50 10 JEGE CCN(CC)c1c(C=NNC(=O)CSc2nc(N)cc(N)n2)c(C)nn1-c1ccccc1 1084264466 KWIORZUIVZDQBA-UHFFFAOYSA-N 453.576 2.224 50 10 JEGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NNCC(F)(F)C(F)(F)F)cc1 1631485652 LJIMCKTZKWASED-AWEZNQCLSA-N 457.421 2.251 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@@H]2CC[C@]2(CBr)C1 1910379036 JYVVFLOHSIHRRL-LIRRHRJNSA-N 455.374 2.500 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@](C)(CBr)C(F)F 2000534267 UXWJLMQRIGYRME-JKSUJKDBSA-N 471.295 2.349 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC2(CCOCC2)[C@@H]1CBr 2352880735 ODCNNQJBJYSJRO-KRWDZBQOSA-N 485.400 2.269 50 10 JEGE C#CCOc1c(I)cc(/C=C(/C#N)c2nn(CCO)c(N)c2C#N)cc1OC 33247227 KOKDSKNFAMGTOT-QPEQYQDCSA-N 489.273 2.019 50 10 JEGE COc1ccc(C=NNC(=O)CNC(=O)c2ccccc2)cc1Cn1nc(C)c([N+](=O)[O-])c1C 254513771 OCLSNYSQXXGIIU-UHFFFAOYSA-N 464.482 2.345 50 10 JEGE CCOc1cccc(-c2c(C(=O)NN=Cc3ccc(NC(C)=O)cc3)nnn2-c2nonc2N)c1 254524155 ZWMCRHFKKWSTOA-UHFFFAOYSA-N 475.469 2.021 50 10 JEGE COc1ccc(/C=C(\C#N)C(=O)Nc2cccc3c2CN([C@@H]2CCC(=O)NC2=O)C3=O)cc1OC 1866130171 FIIXQRDYOSTEET-JVVYVMHDSA-N 474.473 2.010 50 10 JEGE COc1cc(Br)cc(/C=N/NC(=O)Cn2c(O)nc3ccccc3c2=O)c1OC 1873792567 KVXUSIKPGPTGAT-ZVBGSRNCSA-N 461.272 2.032 50 10 JEGE CC(C)[C@H](CI)NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 1978675964 HQJIJHKKVXCUBZ-WMLDXEAASA-N 496.342 2.390 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2C[C@@H](CBr)[C@@H]2C1 2053980079 GSEDREHKPDCAOG-DYIBVVGTSA-N 473.364 2.303 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H]2CCO[C@@]2(CBr)C1 2231356444 VERJSDPIDRJSCO-YWZLYKJASA-N 485.400 2.269 50 10 JEGE O=C(CNC(=O)c1ccccc1I)N/N=C/c1coc2ccccc2c1=O 48572228 BVMUXJUCSRESGB-LSFURLLWSA-N 475.242 2.278 50 10 JEGE C[C@H](C(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1)N1C(=O)NC2(CCCC2)C1=O 726496936 RWCBRSWGYBCXTJ-OAHLLOKOSA-N 468.485 2.419 50 10 JEGE N#Cc1ccc(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c(F)c1 729879694 LXPDQNCAFPTDIW-UHFFFAOYSA-N 459.503 2.016 50 10 JEGE COc1ccc(-c2cc(C(=O)N[C@@H](CO)C(=O)Nc3ccc(SC#N)cc3)nc(O)n2)cc1 1866623531 XJUPXZRVNAWSHD-IBGZPJMESA-N 465.491 2.160 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2C[C@H]1[C@@H]2CBr 2024034553 IWXLBQANUODXAX-WQVCFCJDSA-N 455.374 2.354 50 10 JEGE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@H]1C[C@H]2NS(=O)(=O)N1CCC(Br)CC1 2108246189 VZNPGRBMVFRWEP-CTHBEMJXSA-N 452.415 2.372 50 10 JEGE CCc1cccc2c(C=C(C#N)C(=O)NC[C@@H]3CCCO3)cn(CC(=O)N3CCOCC3)c12 2313623911 HZBCAWOSAPQXEU-NRFANRHFSA-N 450.539 2.265 50 10 JEGE COc1cccc(/C=N/NC(=O)[C@@H]2CCCN(C(=S)NN[C@@H]3C[C@@H]4C=C[C@@H]3C4)CC2)c1O 215724345 KMHGIAGHSMGURL-KVZKSUCGSA-N 457.600 2.297 50 10 JEGE O=C(NN=C1[C@H]2OC[C@@H](O2)[C@@H]2[C@@H](C(=O)c3ccccc3)[C@H]12)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 252596493 CIZRBZQICZJVBQ-JUEKAOKDSA-N 452.379 2.089 50 10 JEGE CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCc2ccc(OCc3ccccn3)cc2)c1 918233585 IAMYRRABVYBOHD-UHFFFAOYSA-N 483.550 2.055 50 10 JEGE COc1ccc(C=NNC(=O)Cc2nnc(NC(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])s2)cc1 1084601358 YRVNDNHZTHXPMT-UHFFFAOYSA-N 485.438 2.308 50 10 JEGE CC(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(CCl)cc3)CC2)cc1 1474812508 BYQYCYHAKPVOGV-UHFFFAOYSA-N 456.973 2.323 50 10 JEGE O=C(OCc1ccccc1)N1C[C@H]2CC[C@H]1[C@H](NS(=O)(=O)CI)C2 1884479868 PMFSZFJSRTZHAM-ZNMIVQPWSA-N 464.325 2.488 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@](C)(CBr)C(F)F 2000534264 UXWJLMQRIGYRME-CVEARBPZSA-N 471.295 2.349 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@H](C2(NS(=O)(=O)N3CCC(Br)CC3)CC2)C1 2106298139 JZZAWPWKLBGFMR-ZDUSSCGKSA-N 452.415 2.470 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@@H]2CCN(S(=O)(=O)N3CCC(Br)CC3)C[C@@H]21 2106778211 BCCGAWZZWLDAAW-ZFWWWQNUSA-N 452.415 2.422 50 10 JEGE CC(C)(C)OC(=O)N1CC(N(OCc2ccccc2)c2ccc(B(O)O)c(C(F)(F)F)n2)C1 2231641709 SRPFBLQLDSEKHN-UHFFFAOYSA-N 467.253 2.338 50 10 JEGE COc1ccc(CNC(=O)C2(NC(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc1B(O)O 2341918695 XGCCWBLGWULMJX-UHFFFAOYSA-N 486.333 2.063 50 10 JEGE NNC(=O)[C@@H]1CC[C@@H](COCc2ccc(I)c(Br)c2)O1 2377634340 HQEQBRJPDKNECB-CABZTGNLSA-N 455.090 2.108 50 10 JEGE Nn1c(SCC(=O)NNC(=O)c2ccc(F)cc2)nnc1-c1ccc(Br)cc1 20922982 NHQWEYIILQTVLR-UHFFFAOYSA-N 465.308 2.114 50 10 JEGE N#C/C(=C/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1)C(=O)NCc1ccccc1 229639935 CADIJGPZBWXFBH-IXQWTKEYSA-N 452.561 2.485 50 10 JEGE CC(=O)[C@@H]1CC(C(=O)NNC(=O)[C@@H](C)Nc2nc3ccccc3s2)=NN1c1ccccc1 751318649 FHJNFGSNQYVHBR-ACJLOTCBSA-N 450.524 2.468 50 10 JEGE COc1ccc(Br)cc1C=NNC(=O)C(=O)NCCc1ccc(OC)c(OC)c1 1083991087 HYALFUDKOZOUOC-UHFFFAOYSA-N 464.316 2.284 50 10 JEGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(S(=O)(=O)CBr)CC1 1965812284 REGDKPISEXGPTL-UHFFFAOYSA-N 486.429 2.458 50 10 JEGE CC(C)(C)OC(=O)N[C@H]1CN(S(=O)(=O)CI)CC[C@@H]1C(F)(F)F 1983326713 DENUYSVELXEBMD-IUCAKERBSA-N 472.267 2.486 50 10 JEGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)N1CCCc2cccc(B(O)O)c21 2284060621 PQLZLFLHJRZGQS-HXUWFJFHSA-N 468.359 2.146 50 10 JEGE COc1ccccc1OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCCc1ccccc1 13999344 PNXUKCIRNSNLKE-UHFFFAOYSA-N 473.551 2.052 50 10 JEGE O=C(NNc1ncnc(NCc2ccc3c(c2)OCO3)c1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] 40585199 ZMWUANRGQRKWNN-UHFFFAOYSA-N 453.371 2.391 50 10 JEGE C[C@@H]1C[C@@H](CBr)CN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000532473 JVTCRFHNFGFCDO-FHSNZYRGSA-N 461.353 2.446 50 10 JEGE CO[C@@H]1C[C@@H](NS(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C[C@H]1Br 2067192353 NIEHMADQLYXOSH-APHBMKBZSA-N 473.389 2.169 50 10 JEGE CN(C)C[C@H]1C[C@H](Br)CN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2122373716 FMOYDUJRXISBIV-LSDHHAIUSA-N 486.432 2.038 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2CCO[C@@]2(CBr)C1 2231356417 UXDVBBONMALEIR-XOBRGWDASA-N 485.400 2.124 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H]2OC[C@@H](CBr)[C@H]2C1 2330879917 SGILMGCDZGFQLT-ZTFGCOKTSA-N 485.400 2.124 50 10 JEGE Cn1cc(Br)cc1C(=O)NNS(=O)(=O)c1c(F)cc(F)cc1Br 28780044 WQQPYFBZFWOCFB-UHFFFAOYSA-N 473.093 2.452 50 10 JEGE COC(=O)c1cc(S(=O)(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)c(C(=O)OC)s1 726519130 CTGBRUSZLLNZQS-UHFFFAOYSA-N 454.526 2.242 50 10 JEGE COc1ccc(C=NNC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(C(=O)O)cc2)c(OC)c1 1084641107 NBJVUPCGSVKUEM-LJQANCHMSA-N 454.508 2.345 50 10 JEGE CC(C)(C)OC(=O)N1C[C@@H]2CCCN(S(=O)(=O)N3CCC(Br)CC3)[C@@H]2C1 2106774554 XXRNBJVXFNYBNY-DZGCQCFKSA-N 452.415 2.422 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCO[C@@H]2C[C@@H](CCl)C[C@@H]21 2199766122 RNSDQHNBQUVHFU-NYYTWLDWSA-N 458.939 2.059 50 10 JEGE CCOCCOCCOCCO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1I 2223304950 WNRRORHJBRULGZ-CABCVRRESA-N 473.348 2.496 50 10 JEGE CN1CCN(C(=O)c2c(Br)c(Br)nn2C)C[C@H]1CBr 2338859630 HGYHZKUNBPNHPD-SSDOTTSWSA-N 458.980 2.096 50 10 JEGE COc1ccccc1OCC(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1Cl 12571492 WYNHVINNZAUVPB-UHFFFAOYSA-N 458.323 2.482 50 10 JEGE Nn1c(SCC(=O)N/N=C/c2ccccc2Cl)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 58989406 ZPXOUBUMONEMPA-DNTJNYDQSA-N 476.862 2.371 50 10 JEGE CCOc1cccc(-c2c(C(=O)NN=Cc3cccc(OC)c3OC)nnn2-c2nonc2N)c1 254304715 NYKPWEQAYFUUPD-UHFFFAOYSA-N 478.469 2.079 50 10 JEGE COc1ccccc1N(CC(=O)NN=Cc1cccc(O)c1O)S(=O)(=O)c1ccccc1 254757981 FOKHRJRGSIOONP-UHFFFAOYSA-N 455.492 2.452 50 10 JEGE CCN(CC)S(=O)(=O)c1ccc(Cl)c(S(=O)(=O)NNC(=O)c2cn(C)c3ccccc23)c1 728260978 MSOUNFLFBITEEC-UHFFFAOYSA-N 499.014 2.486 50 10 JEGE C=CCc1cc([N+](=O)[O-])ccc1OC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 746184199 HSVOPVFURNTBMH-UHFFFAOYSA-N 473.507 2.395 50 10 JEGE Cc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(C(=O)CCN3CCOCC3)CC2)n1 1868480048 DOYRJEPHSDKDNW-UHFFFAOYSA-N 467.599 2.473 50 10 JEGE Cc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc(B(O)O)cc1N1CCNCC1 1887522705 GVSDDWWKYKRABC-UHFFFAOYSA-N 471.366 2.123 50 10 JEGE CN(C)C[C@H](Br)CN(C)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2029212625 LIBZDGOCVCJSMY-HNNXBMFYSA-N 474.421 2.040 50 10 JEGE C[C@H]1CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C[C@@H](CBr)O1 2029233229 QJKWLKNJOLTPAJ-LSDHHAIUSA-N 473.389 2.267 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1C[C@H](CBr)[C@H]2C[C@@H]21 2048005879 QCVLMFOOXDLKLE-KQBQCQLESA-N 473.364 2.350 50 10 JEGE CC[C@H](C)[C@@H](CI)NS(=O)(=O)c1nn(C)cc1Br 2081254003 RXJIEIPHTDKMCP-IONNQARKSA-N 450.140 2.311 50 10 JEGE C[C@@H](c1nscc1B(O)O)N(C)C(=O)[C@@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21 2248398140 QJCGFFZXFJFMPT-CABCVRRESA-N 479.367 2.270 50 10 JEGE COc1ccc(OC)c(NC(=O)C(=O)NN=Cc2cc3c(cc2Br)OCO3)c1 252593050 BIONCZYTXOPAKW-UHFFFAOYSA-N 450.245 2.284 50 10 JEGE Cc1nn(C)c(C)c1/C=C/C(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 1087686796 CWDACZXEBLWRJE-BUHFOSPRSA-N 456.510 2.213 50 10 JEGE CC(=O)N(c1ccc(NC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1)[C@H]1C[C@H]1C 1562845207 JKMSNYBDPUGDHH-QRWLVFNGSA-N 451.531 2.307 50 10 JEGE COC[C@@H](Br)CCNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942087153 FIJCEFLTTNSYPB-AWEZNQCLSA-N 461.378 2.172 50 10 JEGE C[C@H](Br)C[C@@H]1COCCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2128872239 APUUYHYCFPDPBH-IQUTYRLHSA-N 491.379 2.215 50 10 JEGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1sc(Cl)cc1B(O)O 2320680993 JNUMOSFKTCXGIQ-SCLBCKFNSA-N 482.795 2.196 50 10 JEGE CC(C)(C)c1ccc(OCC(=O)NC(=S)NNC(=O)CCC(=O)NCc2ccccc2)cc1 13976416 FGKDOWHFGGGHNW-UHFFFAOYSA-N 470.595 2.481 50 10 JEGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2OCC)cc1 14022068 ULIOQKMPKKUUCG-UHFFFAOYSA-N 459.524 2.367 50 10 JEGE CCN(/C=C(/C#N)C(=O)Nc1ccc(I)cc1C)[C@@H]1CCS(=O)(=O)C1 217254096 WGIIIVDHFMJMRC-VSKPTYQZSA-N 473.336 2.455 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(CBr)cc2)[C@H](CO)C1 2172901555 WJPBFRBJEZBDMD-GOEBONIOSA-N 463.394 2.478 50 10 JEGE COc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 2296719337 FFMGPSCJXRLRNC-KRWDZBQOSA-N 494.529 2.014 50 10 JEGE COC(=O)c1ccc(C(=O)ON2C(=O)CCC2=O)cc1P(c1ccccc1)c1ccccc1 102214995 XJSNHTAXBRWNGI-UHFFFAOYSA-N 461.410 2.452 50 10 JEGE CCOc1ccc(-c2c(C(=O)NN=C(C)c3ccc4c(c3)OCO4)nnn2-c2nonc2N)cc1 254868316 DHSZPLLDVRLKPU-UHFFFAOYSA-N 476.453 2.181 50 10 JEGE COc1ccc(O)c(C=NNC(=O)CCCSc2nnc(-c3cccc([N+](=O)[O-])c3)n2N)c1 1084104631 LLMZJVLWSNOHMV-UHFFFAOYSA-N 471.499 2.304 50 10 JEGE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNc3cccc(C)c3Cl)c2)CC1 1304419011 CXTXBUGGTZZGDN-UHFFFAOYSA-N 450.948 2.258 50 10 JEGE CCOC1(CBr)CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2052828250 KQSKPVCOVJXLNL-UHFFFAOYSA-N 473.389 2.269 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1C[C@@H]([C@H](F)CBr)C1 2078421755 FXYQGBMWMADTKC-ABXQLRGKSA-N 479.343 2.442 50 10 JEGE Cc1cc(B(O)O)c(CNC(=O)[C@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)s1 2243665047 PLEHQQRHCZTNEI-HNNXBMFYSA-N 464.352 2.280 50 10 JEGE CO[C@@](C)(CBr)CNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 707423055 CCWBFAPUOPJDJG-SFHVURJKSA-N 461.378 2.028 50 10 JEGE O=C(Cn1nnc(-c2ccccc2)n1)NN=Cc1cnn(-c2ccc(Br)cc2)c1 917531613 CACFTLISUVSXPF-UHFFFAOYSA-N 451.288 2.439 50 10 JEGE C#CC[C@@]1(C(=O)NNC(=O)c2cc(Br)cn2C)CCCN1C(=O)OC(C)(C)C 1124613375 KNAVOVBNFLIFQE-IBGZPJMESA-N 453.337 2.342 50 10 JEGE COc1cccc(/C=C/C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 1860770176 WRTYQABBGSPDNU-RCQQVGEISA-N 452.536 2.452 50 10 JEGE CCOc1ccc(S(=O)(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 1860770684 RSZCPLDSTYZIAQ-CYBMUJFWSA-N 476.580 2.306 50 10 JEGE CN(C)[S@](=O)(=NC(=O)C1CC(Br)C1)N1CCN(C(=O)OC(C)(C)C)CC1 1887731633 QMJJASLOVAVKPL-INYWJWDISA-N 453.403 2.099 50 10 JEGE C[C@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)C=Cc4ccc([N+](=O)[O-])cc4)c(=O)c23)C1 2325893233 RSOSLEOAUMEXFW-ZDUSSCGKSA-N 467.507 2.352 50 10 JEGE Cc1ccc(S(=O)(=O)NNc2ncnc(NNC(=O)c3ccccc3Br)c2N)cc1 40784962 WYLDGRJIDSDGKJ-UHFFFAOYSA-N 492.359 2.192 50 10 JEGE Nn1c(SCCCC(=O)N/N=C/c2ccccc2)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 58986681 VSGXYKBDYIIRJH-CIAFOILYSA-N 470.471 2.498 50 10 JEGE COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(\C)NNC(=O)c1cc(OC)cc(OC)c1 205944359 BDWYNCRJLVZRTQ-KGENOOAVSA-N 452.467 2.178 50 10 JEGE O=C(NN=CC=NNC(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(N2CCCC2=O)cc1 1083982810 UYWBJBXQLAUPBR-UHFFFAOYSA-N 460.494 2.072 50 10 JEGE COc1cccc(C=NNC(=O)CCCSc2nnc(-c3cccc([N+](=O)[O-])c3)n2N)c1O 1084616204 QVRUQAMHCCRALU-UHFFFAOYSA-N 471.499 2.304 50 10 JEGE CC(=O)c1cccc(OCc2cc(C(=O)NNc3ccc(S(=O)(=O)N(C)C)cc3)no2)c1 1450111837 HIVJKFZSFUSQKZ-UHFFFAOYSA-N 458.496 2.463 50 10 JEGE C#CC[C@@]1(C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)CCCN1C(=O)OC(C)(C)C 1638041948 UKOZAGMTRQXUPL-QHCPKHFHSA-N 453.499 2.132 50 10 JEGE C=C[C@@H]1OCC[C@H]1NC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1 1686496689 AHSSRIAOBJPUDD-UXHICEINSA-N 458.540 2.392 50 10 JEGE C[C@@H](Br)[C@H]1CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CCO1 2053851836 VANKKZPZQYAVLG-RHSMWYFYSA-N 473.389 2.267 50 10 JEGE Cc1cc(B(O)O)sc1CN(C)C(=O)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2268680867 OFSYUFJQBNHNNM-SFHVURJKSA-N 476.404 2.195 50 10 JEGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1C[C@H]2CC(CBr)C[C@@H](C2)C1 2303119108 FLXFDZUYKXGAIM-GJZGRUSLSA-N 455.374 2.355 50 10 JEGE CCN(Cc1ccccc1)c1ccc(/C=N/NC(=O)[C@H](C)Sc2n[nH]c(=O)[nH]c2=O)cc1 169890556 FPIAIADGSZYUAN-LUILSVGHSA-N 452.540 2.116 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC1(CBr)CCOCC1 703964656 KYGUZMSPHIGHPH-UHFFFAOYSA-N 473.389 2.172 50 10 JEGE Cc1csc([C@H](C)NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)n1 727942628 ULZQUGRKJDLYTB-AWEZNQCLSA-N 451.574 2.331 50 10 JEGE Cn1cc(C(=O)NNC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)c2ccccc21 730519370 JVQFMSKISKFMMO-GOSISDBHSA-N 454.552 2.181 50 10 JEGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1)NCCc1ccccc1 1084160657 JUUAXWXOYJKXQN-UHFFFAOYSA-N 489.488 2.421 50 10 JEGE COc1ccc(C=NNc2nc(SCC(=O)NNC(=O)c3ccc(Cl)cc3)n[nH]2)cc1OC 1084212883 PRJXNBYLWMSJAZ-UHFFFAOYSA-N 489.945 2.475 50 10 JEGE Cc1ccc(C)c(OCC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 1860769762 GZSXMQFUZNECTM-CQSZACIVSA-N 454.552 2.426 50 10 JEGE CN(C)[S@@](=O)(=NC(=O)[C@H]1C[C@@H](Br)C1)N1CCN(C(=O)OC(C)(C)C)CC1 1887760847 QMJJASLOVAVKPL-CXHCJZKCSA-N 453.403 2.099 50 10 JEGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CC[C@@](CBr)(C(F)(F)F)C1 2002428961 XZYAJIDNISKPHF-HNNXBMFYSA-N 469.279 2.262 50 10 JEGE CCOc1ccc(CCNC=C(C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1OCC 2318468249 LIDVVAYYPURCQI-UHFFFAOYSA-N 458.540 2.310 50 10 JEGE CC(=NNC(=O)CN1CCCc2ccccc21)c1ccc(OCC(=O)N2CCOCC2)cc1 916308616 OMEWEZHYORMCMW-UHFFFAOYSA-N 450.539 2.217 50 10 JEGE O=C(NN=Cc1ccncc1)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 1084049896 UHLYZHIHIJVBST-UHFFFAOYSA-N 451.346 2.395 50 10 JEGE CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)NNC(=O)c2ccc(Br)cc2)c1 1318205875 CPARGPDQICGUKH-LLVKDONJSA-N 455.334 2.062 50 10 JEGE CC(=O)N[C@@H](C(=O)NNC(=O)CN1CCCc2ccccc21)c1cccc(Br)c1 1538915009 PWPXDYNRYDHMAB-HXUWFJFHSA-N 459.344 2.227 50 10 JEGE C=CC[C@@]1(C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)CCCN1C(=O)OC(C)(C)C 1543863846 RCTLLNNDRGJNMX-NRFANRHFSA-N 455.556 2.187 50 10 JEGE O=C(NC1(C(=O)NCc2ccc(B(O)O)cc2)CC1)OCC1c2ccccc2-c2ccccc21 2302865917 PUTFHAHNWIHTBJ-UHFFFAOYSA-N 456.307 2.054 50 10 JEGE COc1ccc(C(=O)NNC(=O)c2cn(C)c3ccccc23)cc1S(=O)(=O)NC1CCCC1 15092879 SQUUYIORNAUVEJ-UHFFFAOYSA-N 470.551 2.483 50 10 JEGE CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NNC(=O)CCc3ccco3)cc2)cc1 748271698 YZRFKTFANFAWPH-UHFFFAOYSA-N 469.519 2.355 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](CBr)[C@@H](F)C1 2008024255 HCAGIWLTOIACBQ-YLVFBTJISA-N 465.316 2.005 50 10 JEGE CC(C)(C)OC(=O)N1C[C@H]2CCC[C@@]2(NS(=O)(=O)N2CCC(Br)CC2)C1 2106306057 VIWSLVJXFZCYNY-CXAGYDPISA-N 452.415 2.470 50 10 JEGE O=C(O)c1cc(S(=O)(=O)N[C@H]2C[C@@H](Br)C2)ccc1I 2126740580 HQQSWABZRVDJHB-KNVOCYPGSA-N 460.087 2.194 50 10 JEGE Cc1cc(S(=O)(=O)NCCCN(Cc2ccccc2)Cc2ccccc2)ccc1B(O)O 2255760678 UROYRSUEUSJOSH-UHFFFAOYSA-N 452.385 2.046 50 10 JEGE C[C@H](Oc1cccc2cccnc12)C(=O)NNC(=S)NC(=O)c1cc2ccccc2oc1=O 3669165 CXXNMQDNXFIVQL-ZDUSSCGKSA-N 462.487 2.444 50 10 JEGE O=C(CNC(=O)c1cccs1)N/N=C1/C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21 100431746 DDIPSXLYKSWLNF-YYADALCUSA-N 462.487 2.274 50 10 JEGE O=C(CI)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1 1865946637 BMJMKJJAAFUTMV-UHFFFAOYSA-N 452.661 2.304 50 10 JEGE CC1(C)CN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)[C@@H]1CBr 2000539344 AENOVPVGRPAXKE-KDOFPFPSSA-N 461.353 2.446 50 10 JEGE CC(C)(C)OC(=O)N1[C@@H](CNS(=O)(=O)N2CCC(Br)CC2)COC1(C)C 2106298145 KCJWQIUMIQLASO-ZDUSSCGKSA-N 456.403 2.052 50 10 JEGE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCc2cccc(B(O)O)c21 2283978313 AQMNZVFTXKWEGT-DYESRHJHSA-N 468.359 2.144 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2COC[C@]2(CCl)C1 2364209329 RFYIYKVJINTDFJ-KKSFZXQISA-N 454.976 2.360 50 10 JEGE CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)COc2ccc(Br)c(C)c2)cc1 12485183 RZEUBSLYLQKULN-UHFFFAOYSA-N 456.318 2.104 50 10 JEGE O=C(Cc1ccc([N+](=O)[O-])cc1)NNc1ncnc(N2CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-] 40611599 BQOOOKOIUDIUOZ-UHFFFAOYSA-N 492.496 2.301 50 10 JEGE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1nn(CC)c(=O)c2ccccc12 1463598738 VSMQPZLFWSWWDF-KRWDZBQOSA-N 457.531 2.427 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](F)C[C@@H](Br)C1 2213903687 LFBRKPHCUMHJGS-OLZOCXBDSA-N 461.353 2.446 50 10 JEGE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)Nc1ccc(B(O)O)c(F)c1F 2268628090 CEMVHBBYMKZALC-HNNXBMFYSA-N 464.274 2.083 50 10 JEGE COC(=O)c1[nH]c2cc(OC)cc(OC)c2c1C=NNC(=O)CCc1nc2ccccc2[nH]c1=O 2321687211 ADQBRFVUXNTLQJ-UHFFFAOYSA-N 477.477 2.291 50 10 JEGE CC(C)(C)OC(=O)N[C@@]1(C)CN(S(=O)(=O)N2CCC(Br)CC2)CC1(F)F 2336869026 QRPXGUCSHQXNNJ-AWEZNQCLSA-N 462.357 2.325 50 10 JEGE COc1ccc(/C=C\C(=O)NC(=S)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC 102650852 FHHHFZHLCTZCSZ-CLFYSBASSA-N 475.523 2.079 50 10 JEGE N#C/C(=C/N1CCN(Cc2ccc3c(c2)OCO3)CC1)C(=O)N1CCN(Cc2ccccc2)CC1 217257639 RRQZJXHKSREHKQ-GFMRDNFCSA-N 473.577 2.285 50 10 JEGE N#C/C(=C/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1)C(=O)NCc1ccccc1 229051310 TYUSPNWGILKUNA-QIZXSREBSA-N 466.588 2.481 50 10 JEGE CCOc1cc(C=NNC(=O)C(=O)NC2CC2)ccc1OCC(=O)Nc1cccc(C)c1C 254487985 XIWKHFUGWGQATO-UHFFFAOYSA-N 452.511 2.448 50 10 JEGE COC(=O)[C@@H](Br)Cn1cnc(I)c1I 379503657 MJFFLNAJIKPMOJ-BYPYZUCNSA-N 484.857 2.029 50 10 JEGE CC(C)(C)OC(=O)N1C[C@@H](C(=O)NC[C@H]2C[C@H](Br)C2)S(=O)(=O)C(C)(C)C1 1892657616 KBXNGCPHWVBVNS-AVGNSLFASA-N 453.399 2.089 50 10 JEGE COC[C@@](C)(CCBr)NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1996324102 SLWMKQPZIDMPDN-GOSISDBHSA-N 461.378 2.172 50 10 JEGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@H](F)C1(O)CN(C(=O)OC(C)(C)C)C1 2022831872 YLOHBZUTLSXTIS-ZDUSSCGKSA-N 483.628 2.329 50 10 JEGE CC(N)=C(C#N)C(=O)COC(=O)CCCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 2040419776 LGQCQIAXMBXTNV-UHFFFAOYSA-N 467.853 2.286 50 10 JEGE CC(C)(C)OC(=O)N1CCCC[C@@H]2[C@H](NS(=O)(=O)N3CCC(Br)CC3)[C@H]21 2106306447 ZAQCWRDQODFIII-ILXRZTDVSA-N 452.415 2.468 50 10 JEGE O=S(=O)(c1cc(CBr)ccn1)N1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2179813942 XGMVKJIADLIUEX-QZTJIDSGSA-N 452.374 2.250 50 10 JEGE C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)cc1B(O)O 2256621121 QPGTWCRNBHXQCV-KUHUBIRLSA-N 462.739 2.457 50 10 JEGE Cc1cc(B(O)O)c(C)cc1NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2268654174 VZODNNGTNOJQNG-LAUBAEHRSA-N 456.348 2.420 50 10 JEGE O=C(NC1(C(=O)N2CCc3cccc(B(O)O)c32)CC1)OCC1c2ccccc2-c2ccccc21 2319282492 LLIZSZSDPHZEFQ-UHFFFAOYSA-N 468.318 2.327 50 10 JEGE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1C[C@H]2NS(=O)(=O)N1CCC(Br)CC1 2329595014 VZNPGRBMVFRWEP-NZBPQXDJSA-N 452.415 2.372 50 10 JEGE O=C(N/N=C1\CCS(=O)(=O)c2ccccc21)c1cccc(S(=O)(=O)N2CCCCC2)c1 9540274 QGKWRXLWBWMGEQ-ZBJSNUHESA-N 461.565 2.173 50 10 JEGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 33871549 XDFIBOOZYPDVFP-XUDLPTGHSA-N 478.530 2.314 50 10 JEGE O=C(NNc1ncnc(NNC(=O)c2ccccc2[N+](=O)[O-])c1[N+](=O)[O-])c1ccccc1Cl 40658031 DGMNCXRQGUNBIE-UHFFFAOYSA-N 472.805 2.460 50 10 JEGE CCOc1ccc(NC(=O)/C(C#N)=C\c2c(N3CCN(C)CC3)nc3ccccn3c2=O)cc1 102864033 FUSYHLCHOUUCRZ-VLGSPTGOSA-N 458.522 2.391 50 10 JEGE CC(CBr)(CBr)NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1F 126516745 IPZNDHIIXRWDBA-UHFFFAOYSA-N 467.176 2.056 50 10 JEGE Cc1cc(C(=O)NCCCONC(=O)OCC2c3ccccc3-c3ccccc32)ccc1B(O)O 2255513490 SCJLONPJKNZDPK-UHFFFAOYSA-N 474.322 2.265 50 10 JEGE Cc1sc(C)c(S(=O)(=O)N(CCCNC(=O)OC(C)(C)C)Cc2ccccc2)c1B(O)O 2255759038 SRQHCNQKIOGIKV-UHFFFAOYSA-N 482.433 2.150 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H]1CC[C@@H](CBr)CO1 2264699684 RPRCFXWZZDVMPA-KSMMKXTCSA-N 491.379 2.120 50 10 JEGE COc1cc(CNC(=O)C2(NC(=O)OCC3c4ccccc4-c4ccccc43)CC2)ccc1B(O)O 2341918425 UDSUNLYFGPCVRM-UHFFFAOYSA-N 486.333 2.063 50 10 JEGE Nc1nonc1-n1nnc(C(=O)NN=Cc2cccc(Br)c2)c1-c1cccc([N+](=O)[O-])c1 252628949 TVJAHNFXLZONPS-UHFFFAOYSA-N 498.257 2.334 50 10 JEGE Nc1nonc1-n1nnc(CN2CCCCC2)c1C(=O)NN=Cc1ccc(C(F)(F)F)cc1 254434894 RGZDBWYVQMQDGZ-UHFFFAOYSA-N 463.424 2.001 50 10 JEGE C#CCCCC(=O)NNC(=O)[C@H](Cc1cn(Cc2ccccc2)cn1)NC(=O)OC(C)(C)C 1304009794 FVQCJGFXYIHJPI-FQEVSTJZSA-N 453.543 2.318 50 10 JEGE O=C(NNC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)c1ccc(Br)cc1 1326917867 YVVBBYHZDOGPOQ-KRWDZBQOSA-N 480.384 2.452 50 10 JEGE CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NNC(=O)Nc2ccc(C)cc2Cl)c1 1568038269 PJNJTCWRDSHKTN-UHFFFAOYSA-N 452.920 2.372 50 10 JEGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)NCC1(CBr)CC(F)(F)C1 2243365002 GHZCZWVNAFBNNH-UHFFFAOYSA-N 451.289 2.012 50 10 JEGE CC(C)(C)OC(=O)NC[C@@](C)(CI)O[C@@H]1CCCN(S(C)(=O)=O)C1 2249191024 VMBPRIPDEFZZPP-IUODEOHRSA-N 476.377 2.145 50 10 JEGE O=C(Cn1nnc(-c2cc(Cl)cc(Cl)c2)n1)NNS(=O)(=O)c1cccc(Cl)c1 1044951 KIQYNPIWFFXEMG-UHFFFAOYSA-N 461.718 2.310 50 10 JEGE CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C2CCN(c3nc4ccccc4s3)CC2)c1 727364584 YGHPMAXIUGFAHO-UHFFFAOYSA-N 487.607 2.224 50 10 JEGE Cc1nn(C(C)C)c(C)c1C=NNc1nc(SCC(=O)NNC(=O)c2ccccc2)n[nH]1 1083851339 DGIVSTFLMFIKBM-UHFFFAOYSA-N 455.548 2.198 50 10 JEGE C=CCn1c(SCC(=O)NN=Cc2cc(OC)c(O)cc2[N+](=O)[O-])nnc1-c1cccnc1 1083899299 BDAGKKJCJBGTHE-UHFFFAOYSA-N 469.483 2.391 50 10 JEGE COc1ccc(CC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1OC 1860772387 XGGOITMQVXCWAM-CYBMUJFWSA-N 470.551 2.305 50 10 JEGE CC1(C)CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C[C@@H](CBr)O1 2029232392 IEKCFIDEAMIVBL-CQSZACIVSA-N 473.389 2.267 50 10 JEGE Cn1nc(Br)cc1S(=O)(=O)NCCCCCCI 2029276352 VCVGHQWZYMFZOO-UHFFFAOYSA-N 450.140 2.456 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC(OCCBr)CC1 2108245402 TXELIZHXBHOCKP-LJQANCHMSA-N 491.379 2.217 50 10 JEGE O=S1(=O)CC[C@@H](C(CBr)(CBr)C[C@@H]2CCS(=O)(=O)C2)C1 2148767595 AUDKZRVZITUDAG-WDEREUQCSA-N 452.230 2.022 50 10 JEGE C#CCN(CC(=O)NNC(=O)[C@H](C)Oc1cccc(Br)c1)C(=O)OC(C)(C)C 1135448860 PRTDXJRYGMSHBF-ZDUSSCGKSA-N 454.321 2.234 50 10 JEGE CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1467953046 LLWQXQZEOHRDNE-AZUAARDMSA-N 458.559 2.317 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@@H]1C[C@H](CBr)[C@@H]2C[C@@H]12 2001892784 REQFRDMUYJNUFG-VJUNAUMWSA-N 455.374 2.402 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H]2[C@H](CBr)[C@@H]2C1 2046030092 VWIUAHYEOSGLFT-XIEZEKGWSA-N 473.364 2.303 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1C[C@@H]([C@@H](F)CBr)C1 2078421758 FXYQGBMWMADTKC-ZQUVKOLYSA-N 479.343 2.442 50 10 JEGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@H](Br)[C@@H]2COC[C@@H]21 2338861608 SCFCHTQPBDQDBK-ACZMJKKPSA-N 457.948 2.179 50 10 JEGE CCN1C(=O)/C(=N\NC(=O)CCC(=O)N/N=C2/C(=O)N(CC)c3ccc(C)cc32)c2cc(C)ccc21 38180194 AZQUYERYFQVIOQ-UEUMJKGWSA-N 488.548 2.157 50 10 JEGE Cc1nn(-c2ccccc2)c(N2CCOCC2)c1/C=N/NC(=O)CCCSc1nnc(N)s1 253561636 CHYCCUILCMDKSB-OEAKJJBVSA-N 486.627 2.474 50 10 JEGE O=C(NNc1ccc(F)c(F)c1F)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 728715808 CRKNPSVMRDRVRU-NSHDSACASA-N 455.414 2.184 50 10 JEGE CC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)Nc2ccc(Cl)cc2Cl)cc1 1556340792 HQMMDYKJBWBNKP-UHFFFAOYSA-N 459.311 2.327 50 10 JEGE CC(C)(C)OC(=O)N1CCC([S@](C)(=O)=NS(=O)(=O)CI)CC1 1910108899 SWOOOPQPTYSJHI-NRFANRHFSA-N 466.363 2.206 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2C[C@@H](Br)C[C@H]2C1 2065403926 QWBSJBQXUQPITD-ZYKCCNLVSA-N 473.364 2.446 50 10 JEGE COc1ccc(N2C[C@@H](C(=O)N3CCN(C(=O)C(C#N)=Cc4ccccc4)CC3)CC2=O)cc1 2085377195 YJCCJBSIGKVKSR-NRFANRHFSA-N 458.518 2.326 50 10 JEGE C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cc(CBr)sc1Br 2179792865 LMIAHPMGIZWRMR-ZETCQYMHSA-N 467.226 2.213 50 10 JEGE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)Nc2cc(F)c(B(O)O)c(F)c2)C1 2366923031 BTZJUISTKASWQM-UHFFFAOYSA-N 476.285 2.037 50 10 JEGE COCCCNC(=O)CC(=O)NN=Cc1ccc(OCC(=O)Nc2ccccc2Cl)cc1 1084597033 RRVLICHRAHJHRG-UHFFFAOYSA-N 460.918 2.350 50 10 JEGE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNc3ccc(Cl)cc3F)cc2)CC1 1179770567 JJDBOIPRRVZDSL-UHFFFAOYSA-N 454.911 2.089 50 10 JEGE CC(C)(C)OC(=O)N1CCC[C@@]2(NS(=O)(=O)N3CCC(Br)CC3)C[C@@H]2C1 2106295002 CCVPVSTUELYQPA-CXAGYDPISA-N 452.415 2.470 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCO[C@@H]2C[C@H](CCl)C[C@H]21 2199766123 RNSDQHNBQUVHFU-RKURPORMSA-N 458.939 2.059 50 10 JEGE CCN(C[C@@](C)(CI)O[C@H]1CCN(S(C)(=O)=O)C1)C(=O)OC(C)(C)C 2257828189 BPWDBSNNMXKNIK-XJKSGUPXSA-N 490.404 2.488 50 10 JEGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ncc(B(O)O)c(C)n1 2268651883 QWNUPCBHNVEZKB-NPMXOYFQSA-N 488.353 2.357 50 10 JEGE CC(C)(C)OC(=O)NC1(CC(=O)N2CCC(B(O)O)CC2)CCN(Cc2ccccc2)CC1 2270371552 KSZJAFVKXFGCKS-UHFFFAOYSA-N 459.396 2.401 50 10 JEGE COc1ccc(C(=O)NNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1I 12574083 KOELJOOCMVUHGY-UHFFFAOYSA-N 486.178 2.191 50 10 JEGE CCCCOc1cccc(C(=O)NC(=S)NNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)c1 13630270 QAXLOTRCMNTUIX-MRXNPFEDSA-N 458.540 2.143 50 10 JEGE COc1ccc(C(=O)NNC(=S)NC(=O)CCC(=O)OCCCc2ccccc2)cc1OC 13999390 YDBPPIBHRXOFKV-UHFFFAOYSA-N 473.551 2.296 50 10 JEGE CCN1CCN(c2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2[N+](=O)[O-])CC1 40610680 WCXVWFNTYVESLD-UHFFFAOYSA-N 470.317 2.356 50 10 JEGE COc1ccccc1C(=O)NCC(=O)NN=C1C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21 254629779 CCGAXQUIZOILRB-UHFFFAOYSA-N 486.484 2.221 50 10 JEGE NC(=O)Cn1cc(C=NNC(=O)c2ccc(Cn3cc(Cl)cn3)o2)c(-c2ccccc2)n1 254826160 XXFIAGOEIUYNRE-UHFFFAOYSA-N 451.874 2.291 50 10 JEGE CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1)O[C@@H](C)C2 730473530 HOPARDRKPBPGCA-IXDGSTSKSA-N 458.536 2.377 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CBr)C1CCC1 2000543547 NGKNGNOTBDHJED-CRAIPNDOSA-N 461.353 2.494 50 10 JEGE C[P@]1(=O)C[C@@H](Br)[C@@H](NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 2008547911 XFXBIDDZQREQIH-RIDFSIMASA-N 477.317 2.121 50 10 JEGE CO[C@]1(CBr)CCCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2108231998 UZMLJKULNLTODZ-MOPGFXCFSA-N 491.379 2.217 50 10 JEGE CCOc1ccc(-n2c(C)cc(C=C(C#N)C(=O)OCC(=O)N[C@@H]3CCS(=O)(=O)C3)c2C)cc1 2297335569 KTTAQPCGFMHJIP-HXUWFJFHSA-N 485.562 2.246 50 10 JEGE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(F)c(B(O)O)c(F)c1 2341210782 NWCRGOPMWBJZIV-BFUOFWGJSA-N 464.274 2.082 50 10 JEGE CC(C)COc1ccccc1C(=O)NC(=S)NNC(=O)CCC(=O)NCc1ccccc1 14035351 DJDXOMOPSOYRPO-UHFFFAOYSA-N 456.568 2.454 50 10 JEGE COCCOc1ccc(Br)cc1C(=O)NNC(=O)CCC(=O)NCc1ccccc1 14662565 YMRGVWRTJAUWJK-UHFFFAOYSA-N 478.343 2.332 50 10 JEGE CCCN(CCC)Cc1c(C(=O)N/N=C/c2ccc(N(CC)CC)cc2)nnn1-c1nonc1N 20037857 WDPVFUAGKKAGIH-MFKUBSTISA-N 482.593 2.465 50 10 JEGE CC(=O)N(C[C@H](C)N(C(C)=O)C(C)=O)C[C@H](Cc1ccc(N=C=S)cc1)N(C(C)=O)C(C)=O 33753524 XKWMWKSTOBNCPW-WNSKOXEYSA-N 474.583 2.359 50 10 JEGE CC(=O)c1cc(Br)ccc1OCC(=O)NNC(=O)c1nnc(O)c2ccccc12 1135886789 PXBJDYUMAKWYGI-UHFFFAOYSA-N 459.256 2.141 50 10 JEGE CC[C@H](C)[C@H](C(=O)N1CCC[C@@H](C(=O)NNc2ccccn2)C1)N1C(=O)c2ccccc2C1=O 1873777924 WSIFYQVPGRJQQC-CSODHUTKSA-N 463.538 2.474 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CBr)C(F)(F)F 2000545159 RCDKZKSPZNGLPE-FZMZJTMJSA-N 475.258 2.256 50 10 JEGE C[C@@H](NC(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)c1cc(B(O)O)cs1 2256671033 NASOSJNGBQUFAZ-CRAIPNDOSA-N 462.377 2.105 50 10 JEGE O=S(=O)(CCBr)CCNS(=O)(=O)c1c(Cl)cccc1Br 2360913599 KVGTVWPZXDJEIA-UHFFFAOYSA-N 469.604 2.191 50 10 JEGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)COc2ccccc2OC)c(Br)c1 13978612 ODWMXWUMYNGVSM-UHFFFAOYSA-N 496.383 2.500 50 10 JEGE O=C(CNC(=O)c1ccccc1)N/N=C1/C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21 100431679 IZNMZOJOLDJUFR-WEMUOSSPSA-N 456.458 2.212 50 10 JEGE Cc1c(C(=O)NNC(=O)c2ccncc2)oc2c1/C(=N/NC(=O)COc1ccccc1)CCC2 101611543 DCMHUYTVBJGSEN-NLRVBDNBSA-N 461.478 2.293 50 10 JEGE CC(C)OCCCNC(=O)C(=O)NN=Cc1ccccc1OCC(=O)Nc1ccc(F)cc1 254439644 UKRAIPDMVYPFJO-UHFFFAOYSA-N 458.490 2.225 50 10 JEGE C/C(C=NNC(=O)c1nnn(-c2nonc2N)c1CN(C)C1CCCCC1)=C\c1ccco1 254593413 LGOKNQFRUDBWMJ-VYXMHMSKSA-N 453.507 2.409 50 10 JEGE CCOc1cc(C=NNC(=O)c2c(C)nnn2-c2nonc2N)ccc1OC(=O)c1ccc(F)cc1 254819971 YDXMGCNFSRAZNQ-UHFFFAOYSA-N 494.443 2.062 50 10 JEGE COCc1c(C(=O)NN=C(C)c2ccc(OCc3ccccc3)cc2)nnn1-c1nonc1N 254854710 SLBNCDLSEFUERF-UHFFFAOYSA-N 462.470 2.112 50 10 JEGE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NNC(=O)c2cc(Br)c[nH]2)cc1 1667322074 MUGWKBZMHYZOCR-UHFFFAOYSA-N 456.322 2.050 50 10 JEGE CC(C)(C)OC(=O)N(CCNC(=O)c1ccc(B(O)O)cc1C(F)(F)F)OCc1ccccc1 2281597340 FYWZIOWOBZGOTD-UHFFFAOYSA-N 482.264 2.484 50 10 JEGE O=C1CN(C(=O)c2c(F)cccc2I)CCN1CCBr 2282782589 CJDDJXBLHZOHID-UHFFFAOYSA-N 455.065 2.110 50 10 JEGE Cc1ccc(CNC(=O)C2(NC(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc1B(O)O 2319284024 GMIMZOOGGZIJDI-UHFFFAOYSA-N 470.334 2.362 50 10 JEGE CC(=O)NNC(=O)[C@H](C)Sc1n[nH]c(N/N=C/c2ccc(COc3ccc(F)cc3)o2)n1 59880245 LOLIRHVRTXKXRD-PQDFQZGZSA-N 461.479 2.210 50 10 JEGE CSCC[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)NNC(=O)NC(C)C 745146253 FAAOVPPMXZHCDL-GFCCVEGCSA-N 490.957 2.498 50 10 JEGE O=C(Cc1ccncc1)NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1858960127 IGTCDINRDACRDU-UHFFFAOYSA-N 470.463 2.326 50 10 JEGE CC1(C)CN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@@H](CBr)O1 2108243368 KMBFQTBVZAXXKS-BFUOFWGJSA-N 491.379 2.215 50 10 JEGE CCc1cc(B(O)O)ccc1NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2268641101 LZQKQDLCPHFRNM-HRAATJIYSA-N 456.348 2.366 50 10 JEGE CCCOC(=O)CCC(=O)NC(=S)NNC(=O)CCC(=O)Nc1cccc(Cl)c1C 13997411 SHFLQUNKQBPNNO-UHFFFAOYSA-N 456.952 2.122 50 10 JEGE N#C/C(=C/N[C@H]1CCS(=O)(=O)C1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216500343 FBMNYMIXGVONTJ-NMFWXREBSA-N 464.591 2.104 50 10 JEGE COCCN(/C=C(/C#N)C(=O)NC(c1ccccc1)c1ccccc1)[C@H]1CCS(=O)(=O)C1 216977378 ICUCTZMRSZPKNS-FQEQIMQSSA-N 453.564 2.435 50 10 JEGE CCCC(=O)Nc1nnc(CC(=O)NN=Cc2cc3c(cc2Br)OCO3)s1 1084350485 JNXPMUQEYIFYRU-UHFFFAOYSA-N 454.306 2.461 50 10 JEGE CCOc1cc(C=NNC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)cc(Br)c1O 1084591842 WCIDKMCMPLVMPQ-UHFFFAOYSA-N 494.342 2.380 50 10 JEGE COC(=O)c1cccc(C(=O)NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)c1 1865851417 BFSJFRHEQNXLAN-UHFFFAOYSA-N 462.487 2.373 50 10 JEGE Cn1ncc(C(=O)N2C[C@@H]3OCCC[C@]3(CBr)C2)c1I 2239178815 GMCBDMCCXMHXAN-GWCFXTLKSA-N 454.106 2.041 50 10 JEGE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1ccccc1B(O)O 2257372159 FQDSHPARGJKXJX-UHFFFAOYSA-N 472.350 2.342 50 10 JEGE COCCN(C[C@H](C)Br)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2259756304 AEUIUOUNICZUFD-AWEZNQCLSA-N 475.405 2.370 50 10 JEGE Cc1cc(CN(C)C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc2ccccc2)sc1B(O)O 2268634701 JOZLEPJASZIKSR-APWZRJJASA-N 476.404 2.193 50 10 JEGE CC(C)CCNC(=O)C(C#N)=CN=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2c(c1)OCO2 2296556028 SAVPTONVMVDEKY-LPHOPBHVSA-N 476.580 2.060 50 10 JEGE COC(=O)C(C#N)=Cc1c(N2CCN(c3ccc(OC)cc3)CC2)nc2c(C)cccn2c1=O 2296732336 WWLUBOUXVJSGTD-UHFFFAOYSA-N 459.506 2.418 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H]2[C@H](CBr)[C@@H]2C1 2311905188 VWIUAHYEOSGLFT-BMHLXIAXSA-N 473.364 2.303 50 10 JEGE COc1ccc(C=NNC(=O)[C@H](Sc2nnc(O)nc2O)c2ccccc2)cc1[N+](=O)[O-] 2323172444 CWULDGZIKKXULA-OAHLLOKOSA-N 456.440 2.183 50 10 JEGE COc1ccccc1/C=C\C=NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 606347348 NGBIOINTSVGCPL-BVZVNWIJSA-N 457.552 2.464 50 10 JEGE Cc1nc(-c2cnccn2)sc1C(=O)NNC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@H](C)C3 1865845314 PWSVLMNKQPZMNT-NSHDSACASA-N 495.590 2.266 50 10 JEGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(CCc3c[nH]c4ccccc34)C2)C1 1872962612 UYIJNXMAUDGNLE-UXHICEINSA-N 474.565 2.336 50 10 JEGE O=S(=O)(CCC(F)(F)CBr)N1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2123363566 UXMMPTCPEPFCIH-CVEARBPZSA-N 453.349 2.322 50 10 JEGE CN(C)S(=O)(=O)C[C@H](NCCSSCCNC(=O)OC(C)(C)C)C(F)(F)F 2181747541 DYWMPILEWPWLQB-NSHDSACASA-N 455.590 2.304 50 10 JEGE COc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2)cc1I 14037918 VFIWKOPCQSCYJB-SNVBAGLBSA-N 485.234 2.437 50 10 JEGE C[C@@H](Sc1nnc(Cn2nnc3ccccc32)n1-c1ccccc1)C(=O)NNC(=O)C1CCC1 59878244 LECQWHHMCZJGSM-OAHLLOKOSA-N 476.566 2.488 50 10 JEGE CC(=O)N1CCN(CCOc2ccc(CCNC(=O)[C@@]3(C)C[C@H]3Br)cc2)CC1 1136576043 ULLCQMUXOSRQCH-CTNGQTDRSA-N 452.393 2.062 50 10 JEGE Cc1nc(I)c(I)n1Cc1csc(C(=O)NN)c1 2028588937 UBTQIEFQHWSUIG-UHFFFAOYSA-N 488.092 2.114 50 10 JEGE CN(C[C@]1(Oc2ncccc2B(O)O)CCCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C 2270915642 ZVGXFLHCJXHUFY-XMMPIXPASA-N 455.364 2.042 50 10 JEGE CCOc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)c2ccccc2[N+](=O)[O-])cc1 12501244 BVIUZDUCLPUNMH-UHFFFAOYSA-N 459.484 2.048 50 10 JEGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2)cc1 12572169 KIYGVHLERDRSRV-UHFFFAOYSA-N 452.330 2.237 50 10 JEGE CCOC(=O)COc1ccc(C=NNC(=O)CNC(=O)COc2ccc3c(c2)CCCC3)cc1OC 254393146 FRASJDQKUUJIHI-UHFFFAOYSA-N 497.548 2.161 50 10 JEGE CC(=O)[C@H]1CC(C(=O)NNC(=O)[C@H](C)Nc2nc3ccccc3s2)=NN1c1ccccc1 751318654 FHJNFGSNQYVHBR-SCLBCKFNSA-N 450.524 2.468 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@]2(C)C[C@]2(CBr)C1 2046803376 SPEYSROXQYEOIJ-FHWLQOOXSA-N 473.364 2.448 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2OCCC[C@]2(CCl)C1 2239163368 UOXFVVZBMRQGCS-UWJYYQICSA-N 454.976 2.358 50 10 JEGE CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2)cc1 12572065 CQHCJOJLCUOLOI-UHFFFAOYSA-N 465.329 2.122 50 10 JEGE N#C/C(=C/c1c(N2CCC3(CC2)OCCO3)nc2ccccn2c1=O)C(=O)NCc1ccccc1 34990529 AJCHOGSJKNJSNF-SILNSSARSA-N 471.517 2.261 50 10 JEGE Cc1ccc(SCc2c(C(=O)NN=Cc3ccccc3O)nnn2-c2nonc2N)cc1 254396952 JIJZHYDVJQSYIT-UHFFFAOYSA-N 450.484 2.303 50 10 JEGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNS(=O)(=O)c3ccccc3)cc2)cc1 254569590 SVFZCXLVUVFNSS-UHFFFAOYSA-N 467.503 2.343 50 10 JEGE COC(=O)[C@H](I)CNS(=O)(=O)c1c(Cl)cccc1Br 302383708 FAGFJVIYKHKNHP-MRVPVSSYSA-N 482.521 2.357 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@H]2CN(S(=O)(=O)N3CCC(Br)CC3)C[C@H]2C1 2112470162 WHEIIYXOOLMWJW-UONOGXRCSA-N 452.415 2.279 50 10 JEGE C[P@]1(=O)C[C@H](Br)[C@H](NS(=O)(=O)Cc2ncsc2Br)C1 2226104363 GSEASPQXISLBRR-KITDARMDSA-N 452.130 2.464 50 10 JEGE COc1cc(B(O)O)ccc1NC(=O)[C@@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21 2248398681 VZASFQXLVFDCDQ-OAHLLOKOSA-N 460.295 2.241 50 10 JEGE C[C@@H](NC(=O)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)c1cc(B(O)O)cs1 2256641311 NASOSJNGBQUFAZ-QAPCUYQASA-N 462.377 2.105 50 10 JEGE COc1cc(C(=O)NNC(=S)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc(OC)c1OC 13976704 OHJURAPJMABMER-UHFFFAOYSA-N 468.875 2.223 50 10 JEGE CN1CCN(CN2C(=O)C(=NNC(=O)c3ccc(F)cc3)c3cc(Br)ccc32)CC1 254488919 NMRZSOLOADADHG-UHFFFAOYSA-N 474.334 2.274 50 10 JEGE COc1ccc(N(CC(=O)NN=Cc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1OC 1084600556 FSSWDNJWKLUTNL-UHFFFAOYSA-N 470.891 2.182 50 10 JEGE CN1CCN(C[C@H](NC(=O)NNC(=O)c2ccc(Br)cc2)c2ccccc2)CC1 1338445866 IKNYDSVEUOYNDH-IBGZPJMESA-N 460.376 2.382 50 10 JEGE O=C(c1ccc(I)c(O)c1)N1C[C@@H]2OC[C@H](CBr)[C@@H]2C1 2178081074 BPFSQPHBOJORRH-KWBADKCTSA-N 452.086 2.479 50 10 JEGE CC(C)(C)OC(=O)N1CC(N(OCc2ccccc2)C(=O)c2c(Cl)cccc2B(O)O)C1 2255688751 ZPOUTUGJGYSSRV-UHFFFAOYSA-N 460.723 2.213 50 10 JEGE Cc1cc(B(O)O)c(C)cc1NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2268656333 VZODNNGTNOJQNG-DYESRHJHSA-N 456.348 2.420 50 10 JEGE CC(C)CNC(=O)C(C#N)=CN=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(N(C)C)cc1 2296571259 NDQMUIYPDOLYEX-RTBURBONSA-N 461.613 2.007 50 10 JEGE COc1ccccc1C=C1SC(=S)N(CCC(=O)NNC(=O)c2ccccc2O)C1=O 2297296766 JBXYUBABQIIWTQ-UHFFFAOYSA-N 457.533 2.453 50 10 JEGE O=C(N[C@@H]1CS(=O)(=O)C[C@H]1Cl)c1cc(Br)ccc1I 236029550 ZTIJBZQYHNYQPM-PSASIEDQSA-N 478.533 2.188 50 10 JEGE Cc1c(B(O)O)cc(C(=O)O)cc1N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887519099 MEOWQFJVYXGJES-UHFFFAOYSA-N 486.333 2.444 50 10 JEGE Cc1c(NC(=O)OCC2c3ccccc3-c3ccccc32)cc(CN2CCNCC2)cc1B(O)O 1887522897 XNKJARAPFKXHDV-UHFFFAOYSA-N 471.366 2.441 50 10 JEGE COC[C@](C)(CCBr)NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2046021600 CQJVIXJWIIXGNN-ROUUACIJSA-N 479.368 2.120 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC2(C1)OCCC[C@H]2Br 2103405129 OFSAXPLFEXTUMH-QGZVFWFLSA-N 485.400 2.411 50 10 JEGE O=S(=O)(c1cnn(CCBr)c1)N1CCN(Cc2ccccc2)CC(F)(F)C1 2179821502 LIUWDGPSKOBQBF-UHFFFAOYSA-N 463.348 2.420 50 10 JEGE COc1ccc(B(O)O)cc1NC(=O)[C@@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21 2248402571 YOMQVYBHADVFCJ-OAHLLOKOSA-N 460.295 2.241 50 10 JEGE CN(CC1(Oc2ccc(B(O)O)cn2)CCN(Cc2ccccc2)CC1)C(=O)OC(C)(C)C 2270900195 QIZVKIXYBZBFMH-UHFFFAOYSA-N 455.364 2.042 50 10 JEGE Cn1cc(C(=O)NNC(=O)CCCCC(=O)NNC(=O)c2cn(C)c3ccccc23)c2ccccc21 729836945 FNOHLEQANPWLRN-UHFFFAOYSA-N 488.548 2.453 50 10 JEGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1)NCc1ccccc1 1084051759 MYKDRKSTQBMKDK-UHFFFAOYSA-N 475.461 2.379 50 10 JEGE C#Cc1cccc(NC(=S)NNC(=O)c2ccc(S(C)(=O)=O)c(Br)c2)c1 1633773363 BGIZPSKLDULCST-UHFFFAOYSA-N 452.355 2.465 50 10 JEGE COC(=O)c1cccc(C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 1865852348 UARIQKTZTLMSOD-CHWSQXEVSA-N 468.535 2.392 50 10 JEGE CC[C@H](C)[C@@H](C(=O)N1CCC[C@@H](C(=O)NNc2ccccn2)C1)N1C(=O)c2ccccc2C1=O 1873777926 WSIFYQVPGRJQQC-FVJLSDCUSA-N 463.538 2.474 50 10 JEGE COCC[C@@H](CBr)NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942089885 SFLHQXCFTXPPLI-AWEZNQCLSA-N 461.378 2.172 50 10 JEGE O=S(=O)(N1CCC(Br)CC1)N1CC[C@H]2OCCN(Cc3ccccc3)[C@H]2C1 2185518322 ZTDJGSMSCQKGEL-RBUKOAKNSA-N 458.422 2.066 50 10 JEGE Cc1cc(F)c(B(O)O)cc1C(=O)NCCNC(=O)OCC1c2ccccc2-c2ccccc21 2249385863 OLJCSFZUKPSDGV-UHFFFAOYSA-N 462.286 2.082 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1C[C@@H]2C[C@H]1C[C@H]2Br 2310032899 FJBWOTULWAKVOL-KJZGRGJYSA-N 473.364 2.492 50 10 JEGE CCCOc1ccc(C=NNC(=O)[C@H](C)Sc2nnc(O)nc2O)cc1Br 2323160879 RCAVVFYPNZEAAM-VIFPVBQESA-N 456.322 2.465 50 10 JEGE C=CCN(CC=C)C(=O)C(C#N)=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 2325441721 LBLYJOBUAYMNNF-UHFFFAOYSA-N 450.948 2.381 50 10 JEGE CCN(CC)C(=O)COc1ccc(C=NNC(=O)Cn2cnc3sc(C)c(C)c3c2=O)cc1 2325902934 GRYLROWMWGMPGW-UHFFFAOYSA-N 469.567 2.472 50 10 JEGE CC(C)(C)OC(=O)NC1(CC(=O)N2CC[C@@](C)(B(O)O)C2)CCN(Cc2ccccc2)CC1 2342478553 XINCDPPRSXYETR-HSZRJFAPSA-N 459.396 2.401 50 10 JEGE COC(=O)c1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C)cc2Br)cc1 10455780 JWRZKYGXQVONBR-UHFFFAOYSA-N 480.340 2.259 50 10 JEGE CC1(C)O[C@H]2[C@@H](CO[C@](O)(CO)[C@@H]2O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1 504291235 LYEYVIPMFIHSLX-WTEVXDJOSA-N 458.627 2.163 50 10 JEGE O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21)NNC(=O)c1cc(F)ccc1Br 728546647 DSOHQSSOIIEDSN-VNHYZAJKSA-N 459.341 2.075 50 10 JEGE CCOc1cc(C)c(S(=O)(=O)NNC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1C 1858082134 IXUHTOXZXKEGLP-UHFFFAOYSA-N 456.565 2.158 50 10 JEGE C[C@@H](C(=O)NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)n1cnc2sc3c(c2c1=O)CCCC3 1860772140 SIPLPKWXHIOQTF-JTQLQIEISA-N 486.466 2.175 50 10 JEGE C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)N1C[C@@H](C(=O)N2CCC[C@H](C(=O)NNc3ccccn3)C2)CC1=O 1872961045 HVTZOZPULMMBCD-CEGNMAFCSA-N 453.587 2.437 50 10 JEGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 1993236103 VJKHLLRKVJDLRH-ZIAGYGMSSA-N 465.638 2.379 50 10 JEGE C[C@H](Br)[C@H]1CCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2000545948 WGUKALXJZDPPCN-ZJNRKIDTSA-N 461.353 2.446 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@@H]1C[C@H](Br)CCO1 2036676803 PENAZELEBSXKID-CABCVRRESA-N 473.389 2.315 50 10 JEGE CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)NCCN2CCCCI 2248248257 ICVSEECKPDHWKT-UHFFFAOYSA-N 451.349 2.403 50 10 JEGE O=C(NNc1ncnc(NCCCn2ccnc2)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 40658689 SWEPPSKAJWOOJB-UHFFFAOYSA-N 461.826 2.402 50 10 JEGE COc1ccc(C(C)=NOCC(=O)NN=C2C(=O)N(CN3CCCC3)c3ccccc32)cc1OC 254612044 KXNVBRANIUVHBL-UHFFFAOYSA-N 479.537 2.365 50 10 JEGE N#CC1=Cn2c(sc(=Cc3ccc4c(c3)OCO4)c2=O)=C(C#N)[C@@H]1c1ccc2c(c1)OCO2 254701648 SVWHQJDQJCNCAK-JOCHJYFZSA-N 455.451 2.032 50 10 JEGE Cc1cccc(C)c1OCC(=O)NNC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@H](C)C3 1860769848 JPBPNQBMFLXDEY-ZDUSSCGKSA-N 454.552 2.426 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC1CC(CBr)C1 2002989018 RAPZIVLWNSFHKA-KJBLDROHSA-N 461.353 2.351 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2CC[C@]2(CBr)C1 2078132875 LMIMQJYKYPDRPP-AGRHKRQWSA-N 473.364 2.448 50 10 JEGE CC1(C)OC[C@H](NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)[C@H]1Br 2078732823 JQICTOIHQIMERC-JKSUJKDBSA-N 473.389 2.313 50 10 JEGE CN(Cc1ccccc1)C1(CNS(=O)(=O)N2CCC(Br)CC2)CCOCC1 2162221474 WIWKSIKRWVZEMO-UHFFFAOYSA-N 460.438 2.361 50 10 JEGE CC[C@@]1(NC(=O)c2cc(B(O)O)c(Cl)s2)CCCN(C(=O)OCc2ccccc2)C1 2281915014 XWVJUKOTEUWVJN-HXUWFJFHSA-N 450.753 2.393 50 10 JEGE C[C@H](NC(=O)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1)c1cc(B(O)O)cs1 2283992012 WDMUJRINZBUBTP-XDHUDOTRSA-N 488.415 2.449 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2CC[C@]2(CBr)C1 2311368063 LMIMQJYKYPDRPP-BKTGTZMESA-N 473.364 2.448 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N(CCCBr)C1CCOCC1 2327741543 QPOJXPNCRPDSEW-UHFFFAOYSA-N 473.389 2.269 50 10 JEGE COc1ccccc1OCC(=O)NNC(=S)NC(=O)COc1ccc(Cl)cc1Cl 12502445 VGIYOHIFRBASJP-UHFFFAOYSA-N 458.323 2.482 50 10 JEGE O=C(CN1CCOCC1)N/N=C1\C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 59165261 CHMRSSJSEULAEZ-DAFNUICNSA-N 471.355 2.191 50 10 JEGE O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 747369299 GUELFJFGMRVQOX-LEWJYISDSA-N 491.997 2.245 50 10 JEGE C#CCCOc1ccc(C(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1 1635520568 QHYVAYMNCNXWSK-UHFFFAOYSA-N 454.958 2.321 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H]1CC[C@@H](Br)C1 2000540405 FFQLLTAEYKXGPY-JCGVRSQUSA-N 461.353 2.494 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2C[C@H]2[C@H]1CBr 2021738022 VSWCBBVHFOPSPR-APHBMKBZSA-N 455.374 2.354 50 10 JEGE Cn1ncc(C(=O)N2CCC3(CC2)C[C@@H](Br)CO3)c1I 2173173771 ULJZLKBKMDTZJM-SECBINFHSA-N 454.106 2.183 50 10 JEGE O=C(Cc1cccc2ccccc12)NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 13623412 ZDRHTBYNBPNGLB-FQEVSTJZSA-N 460.559 2.453 50 10 JEGE CCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OC(C)C)cc2)cc1 14039125 XTKDUGNSWQZCQF-UHFFFAOYSA-N 459.524 2.365 50 10 JEGE COCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(OC)cc1 14662952 QPAKJZDEVIHKRL-UHFFFAOYSA-N 482.356 2.432 50 10 JEGE Cc1nc(S(=O)(=O)N[C@@H](CI)C(C)C)c(Br)n1C 381158805 PVNFIFHHVRGMGX-QMMMGPOBSA-N 450.140 2.229 50 10 JEGE Cc1ccn2c(C(=O)NNC(=O)Cn3cnc4sc5c(c4c3=O)CCCC5)c(C)nc2c1 1860771445 WRHIGNGTTBCUJV-UHFFFAOYSA-N 450.524 2.063 50 10 JEGE COc1cc(OC)cc(C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)c1 1860772359 WRNXJYAHCAMSHR-LBPRGKRZSA-N 456.524 2.376 50 10 JEGE O=S(=O)(CI)N1CCC[C@@]2(CN(Cc3ccccc3)CCO2)C1 1983329646 LRKMOLUXGQZOED-MRXNPFEDSA-N 450.342 2.076 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@H](CNS(=O)(=O)N2CCC(Br)CC2)C12CC2 2108029379 KKUZYQQCVBECQK-CYBMUJFWSA-N 452.415 2.470 50 10 JEGE O=S1(=O)C[C@@H](Br)[C@H](NS(=O)(=O)c2cc(Cl)c(Br)s2)C1 2121369458 SWZJITSQNUCSLJ-INEUFUBQSA-N 473.617 2.003 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H]1COC2(CCC2)[C@@H]1Br 2141552961 DNSAIHJCWFKQLV-DLBZAZTESA-N 485.400 2.457 50 10 JEGE Cc1ccc(CNC(=O)[C@@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1B(O)O 2253233598 PIUDZKXASMEBNB-QGZVFWFLSA-N 458.323 2.218 50 10 JEGE CCN(C[C@](C)(CI)O[C@@H]1CCN(S(C)(=O)=O)C1)C(=O)OC(C)(C)C 2257828187 BPWDBSNNMXKNIK-CJNGLKHVSA-N 490.404 2.488 50 10 JEGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)N1CCCc2cccc(B(O)O)c21 2284058928 PQLZLFLHJRZGQS-HXUWFJFHSA-N 468.359 2.146 50 10 JEGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccc([N+](=O)[O-])cc1 2314795856 XDVOGHKNYGXJQJ-UHFFFAOYSA-N 467.434 2.354 50 10 JEGE CN1CC[C@@H]([C@H](Br)c2c(Br)c(Br)nn2C)S1(=O)=O 2316718614 VPPVQPPFGWSNPG-WDSKDSINSA-N 465.993 2.415 50 10 JEGE CN(C)CCN(/C=C(/C#N)C(=O)NC(c1ccccc1)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 216977316 NTTUSPSVGVMUFY-MUGAAPJKSA-N 466.607 2.350 50 10 JEGE CS(=O)(=O)Cc1cccc(CNC(=O)NNC(=O)c2ccc(F)cc2Br)c1 749192367 BEWZHFMLYQPMHN-UHFFFAOYSA-N 458.309 2.277 50 10 JEGE CC(=O)NNC(=O)[C@H](C)Sc1n[nH]c(NN=Cc2ccccc2OCc2ccccc2)n1 1083969296 GEJKALRPLIRCFC-AWEZNQCLSA-N 453.528 2.478 50 10 JEGE CCc1cccc(OCC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1 1860769669 CQMFAMGMRVFFQZ-AWEZNQCLSA-N 454.552 2.372 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](F)[C@H](CBr)C1 1907657705 HCAGIWLTOIACBQ-ZLENFMNRSA-N 465.316 2.005 50 10 JEGE CO[C@@H]1C[C@@H](Br)CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2046663183 FQPFVSXLJNRRAD-HUUCEWRRSA-N 473.389 2.267 50 10 JEGE COC1CC(CBr)(NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2077902789 TUVXXWWSMVMDFW-UHFFFAOYSA-N 473.389 2.315 50 10 JEGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1nc(B(O)O)ccc1Cl 2243685614 YJYSKSOMUXQULB-ZDUSSCGKSA-N 465.702 2.281 50 10 JEGE C[C@H](NC(=O)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)c1cc(B(O)O)cs1 2256641312 NASOSJNGBQUFAZ-YJBOKZPZSA-N 462.377 2.105 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H]2OC[C@H](CBr)[C@H]2C1 2330878914 SGILMGCDZGFQLT-BMGDILEWSA-N 485.400 2.124 50 10 JEGE COc1ccccc1C(=O)NC(=S)NNC(=O)c1ccccc1I 12403205 UDFYXVPISJWVIW-UHFFFAOYSA-N 455.277 2.249 50 10 JEGE CCOC(=O)/C=C\C(=O)N/C(S)=N\NC(=O)c1ccc(NC(=O)c2ccccc2C)cc1 33616124 CNRHKPGOECMUFA-SEYXRHQNSA-N 454.508 2.413 50 10 JEGE O=C(NNc1ncnc(NCCCN2CCOCC2)c1[N+](=O)[O-])c1cccc2ccccc12 40623202 XFWWFYJVKBSPOI-UHFFFAOYSA-N 451.487 2.429 50 10 JEGE O=C1NCCC[C@@H]1C(=O)N/N=C1\C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 59158732 IAXWDMGMVYSSGA-XZHXWOGCSA-N 469.339 2.385 50 10 JEGE CCOc1ccccc1C=NNC(=O)c1nnn(-c2nonc2N)c1CN(C)C1CCCCC1 254764800 WVPWHTRGQDKVBC-UHFFFAOYSA-N 467.534 2.160 50 10 JEGE NC(=O)[C@H]1CCCN(Cc2cccc(CNC(=O)NNC(=O)c3cccc4cccnc34)c2)C1 731043537 GYXYEZUFZXWWRX-FQEVSTJZSA-N 460.538 2.076 50 10 JEGE C=C[C@@H]1OCC[C@H]1NC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 1312709533 IPLIUAQXJKVAIE-MSOLQXFVSA-N 464.931 2.428 50 10 JEGE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNc3ccc(Cl)c(C)c3)c2)CC1 1471776248 SEEYOTDWOHFDDZ-UHFFFAOYSA-N 450.948 2.258 50 10 JEGE C#C[C@H]1CC[C@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)CC1 1479208691 BHSGLLVJMURNHP-IRJFHVNHSA-N 454.552 2.301 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC(I)CC1 1992342743 CZZFEFOCVPEXDQ-QGZVFWFLSA-N 494.326 2.240 50 10 JEGE C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1)c1ccc(B(O)O)cc1 2268635839 WETJXZOKVALZSX-XGHQBKJUSA-N 456.348 2.042 50 10 JEGE COC(=O)CN1C(=O)[C@]2(C(C#N)=C(N)Oc3cc(C)n(Cc4ccccc4)c(=O)c32)c2ccccc21 39918695 GCJAEGIZNZISOA-MHZLTWQESA-N 482.496 2.097 50 10 JEGE Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccccc2C(=O)NNC(=O)C(=O)NC(C)C)c1C 843404306 HHQBBUWDPUTIDO-UHFFFAOYSA-N 460.556 2.007 50 10 JEGE COc1cc(C)c(C)cc1S(=O)(=O)NNC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860770572 OEWWJQSNJBQECS-GFCCVEGCSA-N 490.607 2.218 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC([C@@H](F)CBr)C1 2001903011 IFMWPWJMZXLQMU-YOEHRIQHSA-N 465.316 2.005 50 10 JEGE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)S(=O)(=O)N2CCC(Cl)CC2)C1 2217287324 GQTZZVYBEGGUPC-UHFFFAOYSA-N 474.023 2.418 50 10 JEGE CC(C)(C)OC(=O)N1CC(N(OCc2ccccc2)C(=O)c2cccc(B(O)O)c2Cl)C1 2255741075 AVYSVZQGCRGLMT-UHFFFAOYSA-N 460.723 2.213 50 10 JEGE NNC(=O)c1cc(COCc2cc(I)ccc2Br)on1 2367281473 YQEBCAVNOSUOMM-UHFFFAOYSA-N 452.046 2.362 50 10 JEGE CCOc1c(I)cc(/C=C(/C#N)c2nn(CCO)c(N)c2C#N)cc1OC 6600249 MLDSNQFWJQNKBZ-SDQBBNPISA-N 479.278 2.405 50 10 JEGE O=C(NNC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1)c1cc(Br)c[nH]1 1087479651 FYZAJPOIWSBYFC-VIFPVBQESA-N 470.121 2.354 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCO[C@@H]2C[C@H](Br)C[C@H]21 2065591251 YKNQNAYEYLIUDN-KBRIMQKVSA-N 471.373 2.019 50 10 JEGE O=S(=O)(N[C@@H]1CN(Cc2ccccc2)[C@]2(CCOC2)C1)N1CCC(Br)CC1 2162210793 DLCLZWZVVSDABV-RBUKOAKNSA-N 458.422 2.114 50 10 JEGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)CCN1C(=O)c2ccccc2C1=O 41015706 MQHACSJMLLSJSZ-NBVRZTHBSA-N 489.484 2.053 50 10 JEGE COC(=O)[C@H](I)CNS(=O)(=O)c1ccc(Br)cc1Cl 300087150 LKTJPJJYPKKNJA-MRVPVSSYSA-N 482.521 2.357 50 10 JEGE O=C(N/N=C1/[C@@H]2[C@H](C(=O)c3ccccc3)[C@H]2[C@H]2CO[C@@H]1O2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 575732979 CIZRBZQICZJVBQ-PZGOGEEJSA-N 452.379 2.089 50 10 JEGE N#CCCn1cc(/C=C(\C#N)C(=O)NCCCN2CCN(c3ncccn3)CC2)c(-c2ccccc2)n1 914755987 DUVNGXFYCFXCNT-FCDQGJHFSA-N 495.591 2.489 50 10 JEGE C#CCCCC(=O)NNC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 1472039327 VLDJOMXQZDCCGU-UHFFFAOYSA-N 457.508 2.213 50 10 JEGE C#C[C@@H](NC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1)c1ccc(Br)cc1 1478895862 HAGCFCSAUICQFP-MRXNPFEDSA-N 450.314 2.171 50 10 JEGE COC[C@@](C)(CBr)CNS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1926971937 LFFUGDGHRDWMTL-SFHVURJKSA-N 461.378 2.030 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Br)C2(CC2)C1 1944735499 GMOPTHSEBXEDAT-HNNXBMFYSA-N 455.374 2.498 50 10 JEGE C[C@H](CCl)C(=O)Nc1c(I)ncnc1I 1974851343 JLETWWKFBBXMLV-SCSAIBSYSA-N 451.433 2.499 50 10 JEGE O=C(NCCC(=O)N1CCc2cc(B(O)O)ccc2C1)OCC1c2ccccc2-c2ccccc21 2257364658 KHYBLQJSKWPOFB-UHFFFAOYSA-N 470.334 2.180 50 10 JEGE Cc1cnc(O[C@]2(CN(C)C(=O)OC(C)(C)C)CCCN(Cc3ccccc3)C2)cc1B(O)O 2286404540 MYBOZHSIZJDRFD-VWLOTQADSA-N 469.391 2.350 50 10 JEGE NNC(=O)[C@@H]1CCC[C@H](COc2cc(Br)cc(I)c2)O1 2364066736 PALKWDZQLARMID-PWSUYJOCSA-N 455.090 2.360 50 10 JEGE Cc1ccc(O[C@H](C)C(=O)NNC(=S)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1C 10153793 XOKOWJWGSXBRJB-GFCCVEGCSA-N 461.456 2.223 50 10 JEGE Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=S)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 12502265 UFBLCKQFASVCBZ-UHFFFAOYSA-N 488.482 2.174 50 10 JEGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2)cc1 13976818 UMALFWKHPKEQFJ-UHFFFAOYSA-N 466.357 2.491 50 10 JEGE COCCOc1ccccc1C(=O)NNC(=O)c1ccc(OC)c(I)c1 14659074 ABQHBVDFTSOBRJ-UHFFFAOYSA-N 470.263 2.400 50 10 JEGE CCOc1ccc(C)cc1[C@@H](C)NC(=O)/C(C#N)=C\N(CCN(C)C)[C@H]1CCS(=O)(=O)C1 253318979 IMHFPKIVENXGTP-FWENICOESA-N 462.616 2.029 50 10 JEGE CCOc1cccc(-c2c(C(=O)NN=Cc3cc(OC)ccc3OC)nnn2-c2nonc2N)c1 254713525 DWQHDPQUXVYEOE-UHFFFAOYSA-N 478.469 2.079 50 10 JEGE C=CCOc1cccnc1C(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 1135582046 OAAYXWUFURZZPH-UHFFFAOYSA-N 455.474 2.479 50 10 JEGE C=C[C@@H]1OCC[C@H]1NC(=O)NNC(=O)CCN1CCN(C(c2ccccc2)c2ccccc2)CC1 1682616952 GGQBJDBZIDBBOW-RPWUZVMVSA-N 477.609 2.458 50 10 JEGE O=S1(=O)C[C@H](Nc2ncc(I)cc2Br)[C@@H](Cl)C1 2015762602 NBFMEWOFOGRJOL-YUMQZZPRSA-N 451.511 2.265 50 10 JEGE O=S(=O)(N1CCC(Br)CC1)N1CC[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2185518325 ZTDJGSMSCQKGEL-RTBURBONSA-N 458.422 2.066 50 10 JEGE Cc1ccc(S(=O)(=O)N2CCN(/C=C(/C#N)C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)cc1 217232784 BYQYWSIVIURQSL-ICFOKQHNSA-N 455.496 2.256 50 10 JEGE N#CCCn1cc(/C=C(/C#N)C(=O)NCCCN2CCN(c3ncccn3)CC2)c(-c2ccccc2)n1 914755988 DUVNGXFYCFXCNT-NMWGTECJSA-N 495.591 2.489 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N[C@@H](CCBr)C(F)(F)F 1918532372 GXUOPHSRQLGHTB-LBPRGKRZSA-N 457.268 2.308 50 10 JEGE CC(C)(C)OC(=O)NCCSSCCNC(=O)C1(NC(=O)OC(C)(C)C)CC(O)C1 1990037329 OZJNKUMASOCSOQ-UHFFFAOYSA-N 465.638 2.427 50 10 JEGE Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1C 12572588 HFASMRUABIEEQZ-UHFFFAOYSA-N 473.511 2.031 50 10 JEGE COc1ccc(Br)cc1/C=N/Nc1nc(SCC(=O)NNC(=O)C(C)(C)C)n[nH]1 20834846 PPTBQUDOEMLFCU-UFWORHAWSA-N 484.380 2.307 50 10 JEGE COCCN(CCOC)c1ncnc(NNC(=O)c2ccc(Br)cc2)c1[N+](=O)[O-] 40618313 RXUQGLWVXPHZON-UHFFFAOYSA-N 469.296 2.003 50 10 JEGE CCOc1cc([C@@H]2[C@@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OCCN1CCOCC1 43766798 XJZWUPDFQIMZDA-RCZVLFRGSA-N 488.592 2.151 50 10 JEGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1CSc1ccccc1)c1cccc(O)c1 254848255 GPSROMZPLNABMN-UHFFFAOYSA-N 450.484 2.384 50 10 JEGE NNC(=O)CCOc1c(I)cc(Cl)cc1I 309508362 RCTACZRHYDBVEN-UHFFFAOYSA-N 466.444 2.308 50 10 JEGE Cc1c(C(=O)NNC(=O)c2ccncc2)oc2c1C(=NNS(=O)(=O)c1ccc(F)cc1)CCC2 1772751999 QZFGFWBTNBEPOW-UHFFFAOYSA-N 485.497 2.216 50 10 JEGE C[C@@H](C(=O)NNC(=O)Cc1ccccc1[N+](=O)[O-])n1cnc2sc3c(c2c1=O)CCCC3 1860772370 WXSCTXVMYWUXKY-LBPRGKRZSA-N 455.496 2.196 50 10 JEGE CN(C1CC(CBr)C1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2018085149 LCDRSECUSMHKBU-KJBLDROHSA-N 461.353 2.446 50 10 JEGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ncc(B(O)O)cc1F 2256604568 DUTMJVXZNVZJKF-QFIPXVFZSA-N 477.301 2.402 50 10 JEGE Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)CNC(=O)[C@@H]1COc2ccccc2O1 85387941 BUABCILEMLXDRE-ZDZUNBPVSA-N 453.886 2.240 50 10 JEGE CN(CC1CC(Br)C1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000540629 GDPHOGBLTXQCNH-PWGQDJSOSA-N 461.353 2.446 50 10 JEGE O=C(c1ccc(I)c(O)c1)N1C[C@@H]2COC[C@]2(CBr)C1 2234579924 LKACQJQPHKXWEW-YGRLFVJLSA-N 452.086 2.480 50 10 JEGE C[C@H](NC(=O)[C@@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(B(O)O)cc1 2248398824 WLEXJNBUJZEUCM-DLBZAZTESA-N 458.323 2.471 50 10 JEGE CN(Cc1ccc(B(O)O)s1)C(=O)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2283985310 HSDRNUBZIQDBFK-XMMPIXPASA-N 488.415 2.230 50 10 JEGE Cc1cccc(NC(=O)NCC2(N(Cc3ccccc3)Cc3ccccc3)COC2)c1B(O)O 2380911273 BNAUWRHHBDIADC-UHFFFAOYSA-N 459.355 2.268 50 10 JEGE COc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1C 12403264 MMXNAUXFIBZQOJ-UHFFFAOYSA-N 452.330 2.481 50 10 JEGE C/C(=N\Nc1nc(SCC(=O)NNC(=O)c2ccc(F)cc2)n[nH]1)c1ccc([N+](=O)[O-])cc1 20923871 YEFOEQBOPXAKLF-SSDVNMTOSA-N 472.462 2.241 50 10 JEGE COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)cc1 59464115 ZSWBATUPIZASLN-VULFUBBASA-N 495.557 2.407 50 10 JEGE Cc1cc(C)c(C=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCC(C)CC2)c(C)c1 254404230 PBTLOPZTFZVNCO-UHFFFAOYSA-N 451.535 2.154 50 10 JEGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1cccc(B(O)O)c1 2248416713 XXBVEAXWXFUFIX-QGZVFWFLSA-N 458.323 2.252 50 10 JEGE COc1cc(C=NNC(=O)c2c(C)nnn2-c2nonc2N)ccc1OCc1ccc(C)cc1 254870377 VVXUVONZTPUGRD-UHFFFAOYSA-N 462.470 2.201 50 10 JEGE C#Cc1cccc(NC(=S)NNC(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)c1 1154050704 VICHHIWZHBLJGB-UHFFFAOYSA-N 457.364 2.271 50 10 JEGE CC#CCS(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(F)cc2Br)c1 1441819882 UYBFBWJLCDNKLF-UHFFFAOYSA-N 453.289 2.460 50 10 JEGE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNc3ccc(F)c(Cl)c3)c2)CC1 1648406862 XCYUSJBMFHUAND-UHFFFAOYSA-N 454.911 2.089 50 10 JEGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)c4ccc5c(c4)OCO5)c(=O)c23)C1 1860771971 NKNOSSWQINSHII-NWDGAFQWSA-N 454.508 2.334 50 10 JEGE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1cc(B(O)O)ccc1F 2257375551 ZYMDZBHQBUBAME-UHFFFAOYSA-N 476.313 2.439 50 10 JEGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(B(O)O)c(F)c1F 2268653575 ORETWJIXNJKQPN-ORAYPTAESA-N 464.274 2.082 50 10 JEGE COc1ccc(CNC(=O)CCCNC(=O)OCC2c3ccccc3-c3ccccc32)cc1B(O)O 2278692497 OAHLLOOGMLGZBR-UHFFFAOYSA-N 488.349 2.310 50 10 JEGE Cc1ccc(S(=O)(=O)N2CCN(C=C(C#N)C(=O)Nc3ccccc3[N+](=O)[O-])CC2)cc1 2324115683 NBVIZRXDFMFGAF-UHFFFAOYSA-N 455.496 2.256 50 10 JEGE COc1cc(Br)cc(C=NNC(=O)Cn2c(O)nc3ccccc3c2=O)c1OC 2328808882 KVXUSIKPGPTGAT-UHFFFAOYSA-N 461.272 2.032 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCC(CO)(CCl)CC1 2364181596 CSQFNFSCPFRTPG-UHFFFAOYSA-N 456.992 2.486 50 10 JEGE CS(=O)(=O)CCCCC(CBr)(CBr)[C@H]1CCS(=O)(=O)C1 706360086 VJEUWTSRSLZISY-NSHDSACASA-N 454.246 2.412 50 10 JEGE CCc1cc2c(=O)n(CC(=O)NNC(=O)[C@H]3CC(=O)N(c4c(CC)cccc4CC)C3)cnc2s1 1865845111 JEYSVGQASANOBW-KRWDZBQOSA-N 495.605 2.346 50 10 JEGE CC(C)(C)OC(=O)N1C[C@H](NC(=O)[C@@H](Br)C2CCCC2)[C@@H](S(C)(=O)=O)C1 1877659859 PWGBPKFPBUFKCA-IHRRRGAJSA-N 453.399 2.089 50 10 JEGE Cn1ncc(C(=O)N2C[C@@H](Br)C[C@@]3(CCCO3)C2)c1I 1924292431 QSNFPSWNERYFJF-ZANVPECISA-N 454.106 2.183 50 10 JEGE CO[C@]1(CBr)CCCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2108231999 UZMLJKULNLTODZ-OALUTQOASA-N 491.379 2.217 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@@H]2CN(S(=O)(=O)N3CCC(Br)CC3)C[C@@H]2C1 2112470161 WHEIIYXOOLMWJW-KGLIPLIRSA-N 452.415 2.279 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](CCl)OC2(CCC2)C1 2165766837 PZBONYADMJVTCO-AUUYWEPGSA-N 458.939 2.203 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC(CCCBr)C1 2216742387 KYXXXHHHSUHZKL-GOSISDBHSA-N 461.353 2.448 50 10 JEGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)c1ccc(B(O)O)cc1 2248420560 WLEXJNBUJZEUCM-IRXDYDNUSA-N 458.323 2.471 50 10 JEGE COc1ccc(OCC(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2C)cc1 13979290 BQPWTTXZAYNKMT-UHFFFAOYSA-N 482.356 2.246 50 10 JEGE COCCOc1ccc(C(=O)NNC(=O)c2ccc(OC)c(I)c2)cc1 14656216 AXYBRYFDUQXGQY-UHFFFAOYSA-N 470.263 2.400 50 10 JEGE O=C(N/N=C/c1ccc(S(=O)(=O)O)o1)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 106998368 SRQGZPBFZIOQEJ-QYWMOJRTSA-N 483.458 2.176 50 10 JEGE COc1ccc(CC(=O)NCC(=O)NN=C2C(=O)N(Cc3ccccc3)c3ccccc32)cc1 254868052 OFZUNIXUSVMQHI-UHFFFAOYSA-N 456.502 2.421 50 10 JEGE CN(C)c1ccc(N2C(=N/C=C(/C#N)C(=O)NCc3ccco3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 254913847 YKPRLWIICIYNIW-SIIVZOOYSA-N 485.591 2.144 50 10 JEGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)N2CCN(C3CCCC3)CC2)cc1 920853051 HCGMOSDMTMFSLI-CAPFRKAQSA-N 476.581 2.428 50 10 JEGE C[C@@H](NC(=O)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)c1cc(B(O)O)cs1 2283953223 QONKDMZTQVFGOZ-QGZVFWFLSA-N 487.431 2.165 50 10 JEGE Cc1ccc(C(=O)NC(=S)NNC(=O)CCC(=O)NCc2ccccc2)cc1Br 12573127 WCELNBOUPBJCKM-UHFFFAOYSA-N 477.384 2.490 50 10 JEGE COc1ccc(Br)cc1/C=N/Nc1nc(S[C@@H](C)C(=O)NNC(=O)C(C)C)n[nH]1 59880770 MCBCRKBEHAUUCL-WHGJXMNKSA-N 484.380 2.306 50 10 JEGE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)COc1ccc(Br)cc1 1540596754 YENMPWQNFRUMMU-HNNXBMFYSA-N 454.321 2.282 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCOC[C@H](Br)C1 2316828033 XKESMBNHYQYDAH-OAHLLOKOSA-N 473.389 2.269 50 10 JEGE NNC(=O)[C@H]1CC[C@H](COCc2ccc(I)c(Br)c2)O1 2377634339 HQEQBRJPDKNECB-BXKDBHETSA-N 455.090 2.108 50 10 JEGE O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=S)NC(=O)c1ccccc1Br 12500914 VDKUGHLIBFNBDL-UHFFFAOYSA-N 453.274 2.072 50 10 JEGE C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)c3cn(C)c4ccccc34)cc2)C[C@@H](C)O1 15092827 ZVRPQLMWONXFGM-IYBDPMFKSA-N 470.551 2.051 50 10 JEGE CCOc1ccc(CCN/C=C(/C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1OCC 217005750 LIDVVAYYPURCQI-ICFOKQHNSA-N 458.540 2.310 50 10 JEGE COc1ccc(C(C)=NNC(=O)CCCSc2nnc(-c3ccncc3)n2N)c(OC)c1 1083930949 BEMAZASYGRVSGR-UHFFFAOYSA-N 455.544 2.484 50 10 JEGE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNc3nccnc3C3CCC3)CC2)cc1 1640354421 NDHRBXKCEPJKGT-UHFFFAOYSA-N 457.556 2.491 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NCC1(CBr)CCOCC1 2029231964 BMETZGUGIYQMHG-UHFFFAOYSA-N 473.389 2.174 50 10 JEGE Cn1ncc(C(=O)N2C[C@@H](Br)C3(CCOCC3)C2)c1I 2174366665 YCCPPQAMVMBNLQ-SNVBAGLBSA-N 454.106 2.041 50 10 JEGE Cc1cc(B(O)O)c(C)cc1NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2268656336 VZODNNGTNOJQNG-UWJYYQICSA-N 456.348 2.420 50 10 JEGE CCc1cc(B(O)O)ccc1NC(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2268716616 GBUIHQXRXDPTNZ-HXUWFJFHSA-N 456.348 2.368 50 10 JEGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@@H]2COC[C@@]2(CBr)C1 2364015219 NMSIWOVMHFGBOE-JMCQJSRRSA-N 471.975 2.429 50 10 JEGE Cc1c(C(=O)NNC(=O)c2ccncc2)oc2c1/C(=N/NS(=O)(=O)c1ccccc1)CCC2 40815081 WOPMPUOHIUGXLZ-JJIBRWJFSA-N 467.507 2.077 50 10 JEGE CN1C(=O)[C@@]2(C)CC(C)(C(=O)NNC(=O)c3ccccc3Br)C[C@@](C)(C2)C1=O 100970197 ZSIHWSPAYDRROB-PMACEKPBSA-N 450.333 2.412 50 10 JEGE CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)NNc3cccc(Cl)c3)ccc2F)CC1 1463965816 GBJDFQLYCNGPHF-UHFFFAOYSA-N 454.911 2.089 50 10 JEGE O=C(N/N=C1\[C@H]2OC[C@H](O2)[C@@H]2[C@H](C(=O)c3ccccc3)[C@H]12)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1565535013 CIZRBZQICZJVBQ-JNCKBZFMSA-N 452.379 2.089 50 10 JEGE Cc1c(C(=O)NNC(=O)c2ccncc2)oc2c1C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772746612 YDCMWQXAFHMPPA-UHFFFAOYSA-N 476.449 2.436 50 10 JEGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C2)C1 1872960326 BSMFHRXQVXDILC-HUUCEWRRSA-N 486.916 2.378 50 10 JEGE CC(=O)Nc1nnc(S(=O)(=O)N(C)C[C@@H](Br)COCc2ccccc2)s1 1916363511 ASUHHGPLWWLTCJ-CYBMUJFWSA-N 463.379 2.097 50 10 JEGE CN(CC1CN(C(=O)OCc2ccccc2)C1)S(=O)(=O)N1CCC(Br)CC1 1999487838 LUIMKOXJSSDHIQ-UHFFFAOYSA-N 460.394 2.291 50 10 JEGE Cc1ccc(B(O)O)cc1S(=O)(=O)NCCCN(Cc1ccccc1)Cc1ccccc1 2255757167 QZCXRTLIGHZRHD-UHFFFAOYSA-N 452.385 2.046 50 10 JEGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)Nc1cc(Cl)ccc1B(O)O 2256672510 IUMXXTRBLSQDLH-QGZVFWFLSA-N 462.739 2.459 50 10 JEGE C[C@H](NC(=O)C(C#N)=CN(CCN(C)C)[C@@H]1CCS(=O)(=O)C1)C12CC3CC(CC(C3)C1)C2 2324904209 KQXQFYQAQXQWTN-VMUPYFCGSA-N 462.660 2.166 50 10 JEGE CO[C@@]1(CBr)CCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 703957914 JDNYFYMONHWAIU-LJQANCHMSA-N 473.389 2.124 50 10 JEGE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNc3cccc(C)c3Cl)cc2)CC1 1646168477 GADBIHYSBCLHLQ-UHFFFAOYSA-N 450.948 2.258 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCCSCCBr 1899597367 MPIARBOFCMHKSZ-MRXNPFEDSA-N 467.382 2.058 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CBr)C1CCC1 2000543550 NGKNGNOTBDHJED-YJBOKZPZSA-N 461.353 2.494 50 10 JEGE Cc1nc(I)c(I)n1Cc1ccccc1C(=O)NN 2088986987 DAXAHYGVQNTLMV-UHFFFAOYSA-N 482.063 2.053 50 10 JEGE COc1cc(B(O)O)ccc1NC(=O)[C@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21 2248398680 VZASFQXLVFDCDQ-HNNXBMFYSA-N 460.295 2.241 50 10 JEGE COc1cccc(C=C2SC(=S)N(CC(=O)NNC(=O)c3ccccc3OC)C2=O)c1 2297319992 PJCRYEFFUHWMSH-UHFFFAOYSA-N 457.533 2.366 50 10 JEGE CN(C)C[C@H](CBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316823061 XJCTWQNOZUSZCN-HNNXBMFYSA-N 474.421 2.088 50 10 JEGE C[C@H](Sc1n[nH]c(NN=Cc2cccc(Br)c2)n1)C(=O)NNC(=O)C1CCC1 1084261199 RJPDOZIJAIIYHK-JTQLQIEISA-N 466.365 2.441 50 10 JEGE CC(=O)c1cccc(S(=O)(=O)NCC(=O)NNC(=O)Nc2ccc(Cl)cc2Cl)c1 1556340651 AYVPHNSEUOVONV-UHFFFAOYSA-N 459.311 2.327 50 10 JEGE C[C@]1(CBr)CC(F)(F)CN1S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 1976199009 YYCWEIPNUWHSOF-OAHLLOKOSA-N 451.289 2.107 50 10 JEGE COc1ccc(NC(=O)C2(NC(=O)OCC3c4ccccc4-c4ccccc43)CC2)c(B(O)O)c1 2319027680 VXCNPZAXBCEMQP-UHFFFAOYSA-N 472.306 2.385 50 10 JEGE CCOc1cc(/C=N/NC(=O)CCCNC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1O 39724869 TZGCUUAFPITGCU-AFUMVMLFSA-N 459.499 2.477 50 10 JEGE O=C(COc1ccc(C=NNC(=O)C(=O)NC[C@H]2CCCO2)cc1)Nc1ccccc1Cl 725444495 RSXIINLWSHBUFR-QGZVFWFLSA-N 458.902 2.103 50 10 JEGE CC(=O)N(Cc1ccc(NC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cc1)C(C)C 1200373196 RNKWLVJCTQFNNK-UHFFFAOYSA-N 450.499 2.157 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@@H]2C[C@H](CBr)[C@@H]2C1 2005995104 UMDCMKKDKRGHFM-KEYYUXOJSA-N 455.374 2.355 50 10 JEGE COc1cc(C(=O)NC(=S)NNC(=O)CCC(=O)Nc2ccc(C)cc2C)cc(OC)c1OC 12503686 ZOGIVCZRDRFZII-UHFFFAOYSA-N 488.566 2.384 50 10 JEGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)Cc2ccccc2)cc1Br 14662114 GSJVUFSPNSQVHG-UHFFFAOYSA-N 466.357 2.353 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCCN1CCC(Br)CC1 703951894 UGFUJZJPMNCLAC-UHFFFAOYSA-N 486.432 2.088 50 10 JEGE Nn1c(SCC(=O)NN=Cc2ccc(O)cc2O)nnc1-c1ccccc1Br 1084431549 WMLOECYOFSOMKY-UHFFFAOYSA-N 463.317 2.075 50 10 JEGE C=C[C@@H]1OCC[C@H]1NC(=O)NNC(=O)c1ccc(NS(=O)(=O)c2ccc(OCC)cc2)cc1 1681194213 QIAOKMVPSIKNNI-UXHICEINSA-N 474.539 2.174 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@](C)(CBr)C1CC1 2000543804 NSJCHGBUDPQTDR-MSOLQXFVSA-N 461.353 2.494 50 10 JEGE COCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccccc1Br 14660731 LPDMFFVXWKCADZ-UHFFFAOYSA-N 452.330 2.424 50 10 JEGE Cc1nc(C)c(C(=O)N/N=C\c2ccc(O)cc2O)cc1C(=O)N/N=C\c1ccc(O)cc1O 48523337 XWXONAKMQNUSDP-OASZVOALSA-N 463.450 2.049 50 10 JEGE Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 102845878 KAGDBNLJVHYWND-TXQCQQFXSA-N 464.503 2.006 50 10 JEGE COC(=O)[C@H](Br)COc1c(I)cc(C#N)cc1[N+](=O)[O-] 159881349 SDTMTUIRYJSPIT-SSDOTTSWSA-N 455.002 2.386 50 10 JEGE Nn1c(CCc2ccccc2)nnc1SCCCC(=O)NN=Cc1cc([N+](=O)[O-])ccc1O 1084038853 SVZWKZHEHNWFJT-UHFFFAOYSA-N 469.527 2.414 50 10 JEGE C[C@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)c4ccc(Br)o4)c(=O)c23)C1 1860770035 QCXFSGLCNIMXEV-VIFPVBQESA-N 465.329 2.400 50 10 JEGE O=C(OCc1ccccc1)N1CCC(NS(=O)(=O)N2CCC(Br)CC2)CC1 1999163576 JYVZADSHYNOHCO-UHFFFAOYSA-N 460.394 2.481 50 10 JEGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ncc(B(O)O)cn1 2220156181 NXEFIEABKZIVPC-OYHNWAKOSA-N 474.326 2.048 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2OCCC[C@@]2(CCl)C1 2238800822 UZMZSMYTKZPDDS-LSTHTHJFSA-N 458.939 2.060 50 10 JEGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@H](Br)[C@H]2COC[C@@H]21 2338861611 SCFCHTQPBDQDBK-VQVTYTSYSA-N 457.948 2.179 50 10 JEGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCCc2ccccc2)cc1 13999294 IBGNXASFRNOGSD-UHFFFAOYSA-N 457.552 2.352 50 10 JEGE O=C(NNc1ncnc(NNC(=O)c2ccccc2Br)c1[N+](=O)[O-])c1ccco1 40658357 IELIWAGKABTTAS-UHFFFAOYSA-N 462.220 2.254 50 10 JEGE O=C(N[C@@H]1CS(=O)(=O)C[C@H]1Cl)c1cc(I)ccc1Br 236029630 NZSOXJZCXJFBIS-NXEZZACHSA-N 478.533 2.188 50 10 JEGE Cc1c(N(CC(=O)NN=Cc2ccco2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 1084065393 VBIAKIFXONWXDF-UHFFFAOYSA-N 493.545 2.423 50 10 JEGE CC(=O)CCc1ccc(OCc2cccc(C(=O)NNC(=O)c3nc[nH]c4ncnc3-4)c2)cc1 1558271639 DVHYQFGWGRVTNL-UHFFFAOYSA-N 458.478 2.480 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1CC[C@H](CBr)C1 2000540030 CSKFFSUVCDZDFA-LXIYXOSZSA-N 461.353 2.494 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](CBr)[C@@H](F)C1 2008018718 QMAVYHQJFLMFJN-WFASDCNBSA-N 461.353 2.303 50 10 JEGE CCN1CCC[C@H]([C@H](Br)c2cnn(C)c2I)S1(=O)=O 2089516394 WULQCMOSADBBBF-NXEZZACHSA-N 462.151 2.275 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@H]2CCN(S(=O)(=O)N3CCC(Br)CC3)C[C@H]21 2106778210 BCCGAWZZWLDAAW-UKRRQHHQSA-N 452.415 2.422 50 10 JEGE CC[C@]1(CBr)COCCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2112705860 OHNWRFIWNRUEKH-OALUTQOASA-N 491.379 2.217 50 10 JEGE C[C@H](Br)C[C@@H]1COCCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2128872243 APUUYHYCFPDPBH-KSMMKXTCSA-N 491.379 2.215 50 10 JEGE CCCCOC(=O)c1ccccc1NC(=O)C(C#N)=CNCc1ccc(S(N)(=O)=O)cc1 2325307199 QRZJXMALUMWARX-UHFFFAOYSA-N 456.524 2.427 50 10 JEGE Cc1cc(OCC(=O)NC(=S)NNC(=O)c2ccc([N+](=O)[O-])cc2)ccc1Br 12573328 JQQQSGGLWGJYIO-UHFFFAOYSA-N 467.301 2.380 50 10 JEGE CC(C)CNC(=O)/C(C#N)=C\N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(N(C)C)cc1 229018625 NDQMUIYPDOLYEX-JIZVALTBSA-N 461.613 2.007 50 10 JEGE CSc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCCC[C@H]2C)cc1 254477875 XNSDTXXMSRZFCE-CYBMUJFWSA-N 455.548 2.093 50 10 JEGE CC(C)(C)c1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCCCC2)cc1 254521792 NTBCAMUGLASZDH-UHFFFAOYSA-N 451.535 2.280 50 10 JEGE Cn1cc(Br)cc1C(=O)NNC(=O)CCc1nc2ccccc2c(=O)n1C1CC1 1086988968 JYFOOJMBXMHYGJ-UHFFFAOYSA-N 458.316 2.226 50 10 JEGE COc1ccc(Cl)cc1S(=O)(=O)NNC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860770738 VHALEIQKDCHHHP-LLVKDONJSA-N 496.998 2.255 50 10 JEGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1Cc2cccc(B(O)O)c2C1 2248397983 PTAVKYXCAASERH-INIZCTEOSA-N 456.307 2.136 50 10 JEGE COc1cc(C=NNC(=O)CNc2nnc(O)nc2O)ccc1OCc1cccc(Cl)c1 2323201728 IKOOHXOZZZSMPF-UHFFFAOYSA-N 458.862 2.086 50 10 JEGE CN(C)CCN(C=C(C#N)C(=O)NC(c1ccccc1)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 2324825778 NTTUSPSVGVMUFY-HSZRJFAPSA-N 466.607 2.350 50 10 JEGE O=C(COc1ccc(Br)cc1)NNC(=S)NC(=O)c1cccc([N+](=O)[O-])c1 2690776 BVVXCJQIOCVJRE-UHFFFAOYSA-N 453.274 2.072 50 10 JEGE CC[C@@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1 13630306 GFRPQDVFKWKEPS-ZBFHGGJFSA-N 458.540 2.141 50 10 JEGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2c(N3CCN(C)CC3)nc3c(C)cccn3c2=O)cc1 32307852 HRZIKHFUKPSGLA-HKWRFOASSA-N 463.563 2.402 50 10 JEGE Cc1nn(C(C)C)c(C)c1/C=N/Nc1nc(SCC(=O)NNC(=O)c2ccccc2)n[nH]1 59820846 DGIVSTFLMFIKBM-UFFVCSGVSA-N 455.548 2.198 50 10 JEGE N#C/C(=C/Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)NCc1ccccc1 217011230 CUFSHDOWJXYSSA-ICFOKQHNSA-N 460.943 2.497 50 10 JEGE C=CC(=O)N1CCC(C(=O)NNc2ccccc2S(=O)(=O)N(C)C)(c2ccccc2)CC1 1298831849 SLOGPNPFJUFEGO-UHFFFAOYSA-N 456.568 2.126 50 10 JEGE C[C@@H]1CN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)CC[C@H]1Br 2000541254 HWMCDWMZUWSFMH-CDHAZOANSA-N 461.353 2.446 50 10 JEGE C[C@@H]1CN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)CC[C@H]1Br 2000541255 HWMCDWMZUWSFMH-DWQUBVKVSA-N 461.353 2.446 50 10 JEGE CC(C)(C)OC(=O)N1CCN(C[C@]2(CBr)CC2(F)F)[C@H]2CS(=O)(=O)C[C@@H]21 2351885395 JDYVXALLMWYPFC-SLEUVZQESA-N 459.353 2.125 50 10 JEGE Cc1[nH]c(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)c(C)c1C(=O)N/N=C/c1ccc([N+](=O)[O-])o1 15015789 DULSJVKIKPMLGX-OKXCLTPOSA-N 457.359 2.162 50 10 JEGE CCOC(=O)C1CCN(c2ncnc(NNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2[N+](=O)[O-])CC1 40618826 KGNQFZAXXPOAEO-UHFFFAOYSA-N 493.864 2.483 50 10 JEGE COc1ccc(C=CC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1OC 2325893195 JZLMDKWEPZYUEZ-CQSZACIVSA-N 482.562 2.461 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H]2OC[C@@H](CCl)[C@@H]2C1 2364212828 ARUVFTBCNPNXPM-MNEFBYGVSA-N 454.976 2.358 50 10 JEGE Cc1sc2ncn(CC(=O)NNC(=O)[C@@H](C)Nc3nc4ccccc4s3)c(=O)c2c1C 9856586 OYZDLGBTJYMNJC-LLVKDONJSA-N 456.553 2.333 50 10 JEGE CS(=O)(=O)N(CC(=O)NN=Cc1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc(Cl)cc1 1084619856 MGGSCCVXTKCPNN-UHFFFAOYSA-N 495.945 2.001 50 10 JEGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NNS(=O)(=O)c4cccs4)c(=O)c23)C1 1860770442 ICFPUTNXMPUMKX-QWRGUYRKSA-N 452.583 2.215 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@@]12CC[C@@](CBr)(C1)OC2 2069888894 KNIVOEKGONJXLW-OALUTQOASA-N 471.373 2.069 50 10 JEGE Cc1sc(C(=O)NCCNC(=O)OCC2c3ccccc3-c3ccccc32)c(C)c1B(O)O 2243380911 AFZRCWZCFRXHIJ-UHFFFAOYSA-N 464.352 2.313 50 10 JEGE COC(=O)N1CCN(C=C(C#N)C(=O)Nc2ccc(I)cc2C)CC1 2325417731 BYLVKGYYLFNWON-UHFFFAOYSA-N 454.268 2.330 50 10 JEGE Cc1cc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)c3cn(C)c4ccccc34)c2)no1 10737069 QBRYZAPSVPYBAU-UHFFFAOYSA-N 453.480 2.350 50 10 JEGE Cc1cc(C(=O)NNC(=O)C[C@@H]2CCS(=O)(=O)C2)c(C)n1-c1cccc(Br)c1 110228891 ONLVSRQKDVXBKJ-AWEZNQCLSA-N 468.373 2.442 50 10 JEGE CC(C)S(=O)(=O)CCC(CBr)(CBr)[C@H]1CCS(=O)(=O)C1 232696446 YJMSBBGOYQUKHI-NSHDSACASA-N 454.246 2.411 50 10 JEGE COc1cc(C=NNC(=O)Cn2ccc(C(F)(F)F)n2)ccc1OCC(=O)N1C[C@@H](C)O[C@H](C)C1 254385966 FLHBUPRDKMSRAL-HUUCEWRRSA-N 497.474 2.075 50 10 JEGE COc1ccc(C)cc1S(=O)(=O)NNC(=O)[C@H](C)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860770790 XGEWHTRTXIRAOD-OCCSQVGLSA-N 490.607 2.471 50 10 JEGE N#CSc1ccc(NC(=O)[C@H](CO)NC(=O)c2ccc(N3CCN(C(=O)C4CC4)CC3)cc2)cc1 1866900475 YIAZZSWPDHQZRV-QFIPXVFZSA-N 493.589 2.048 50 10 JEGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(Cc3ccc(Cl)cc3)C2)C1 1872963154 ZLJCAEOYYJNANR-MSOLQXFVSA-N 455.946 2.465 50 10 JEGE C[C@@H]1C[C@H]1N(CCBr)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2002036461 YQGPISWWPHUGTA-CDHAZOANSA-N 461.353 2.446 50 10 JEGE C[C@H](Br)[C@H]1CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)CCO1 2053852145 XCYQOXBJCBKJKV-XJKSGUPXSA-N 473.389 2.123 50 10 JEGE Cc1ccc(B(O)O)cc1NC(=O)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2268792389 DTMFZULNGRQMDI-UHFFFAOYSA-N 454.332 2.067 50 10 JEGE COc1cc(/C=N/NC(=O)CCCSc2nnc(-c3ccccc3O)n2N)c([N+](=O)[O-])cc1O 58992153 UAEJTTZNHBWAPP-SSDVNMTOSA-N 487.498 2.010 50 10 JEGE C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N[C@H](CS)C(=O)O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 70697819 VVYLAGBYVBIHHA-IQQCVISESA-N 487.571 2.017 50 10 JEGE Cc1cc(C)c(C=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCCC[C@@H]2C)c(C)c1 254381898 WOVHLIPDPVOLGW-INIZCTEOSA-N 451.535 2.296 50 10 JEGE Cc1ccc(-n2c(SCC(=O)NNS(=O)(=O)c3cnc(C)[nH]3)nnc2-c2ccccc2)cc1 727350304 JIRUXWMYSSRKFV-UHFFFAOYSA-N 483.579 2.376 50 10 JEGE COc1ccc(N(CC(=O)NN=Cc2ccccn2)S(=O)(=O)c2ccccc2)c(OC)c1 1084346809 RZSMAKAWQSXRRV-UHFFFAOYSA-N 454.508 2.444 50 10 JEGE CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NNc3ccnc(N(C)C)n3)cc2)cc1 1182786742 SKZVIMFIZSRASO-UHFFFAOYSA-N 454.512 2.303 50 10 JEGE CCCN1C(=O)C(=NNC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@H](C)C4)c2ccccc21 1772760252 IXPYDPLAUTVPTD-ZDUSSCGKSA-N 464.551 2.255 50 10 JEGE Cn1cc(S(=O)(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)cc1CBr 2179816241 QTAHNIHWILHJKC-OALUTQOASA-N 454.390 2.194 50 10 JEGE C[C@@H](NS(=O)(=O)C=Cc1ccccc1)C(=O)NNC(=O)COc1cccc(C(F)(F)F)c1 2297380760 ABPIMWQUEJIUHC-CQSZACIVSA-N 471.457 2.210 50 10 JEGE CC(C)S(=O)(=O)N(C)NC(=O)c1cc(Br)ccc1I 2339721329 QNPUCFAAVQSPAC-UHFFFAOYSA-N 461.119 2.369 50 10 JEGE Cn1cc(C(=O)NNC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)c2ccccc21 10736791 KXHYDDUIZFWJML-UHFFFAOYSA-N 476.505 2.318 50 10 JEGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)N[C@H]3CCS(=O)(=O)C3)c(Oc3ccccc3)nc12 102846135 ZLHOOROTZYAROY-WBILKINKSA-N 464.503 2.006 50 10 JEGE Cc1ccc(N2C(=O)[C@H](C=NNC(=O)CC[C@H](O)c3ccccc3)C(=O)NC2=S)cc1C 725382394 BJMWVUCVEIUKDT-MOPGFXCFSA-N 452.536 2.283 50 10 JEGE COc1ccc(C=NNC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(O)c(OC)c2)c(OC)c1 1084071564 HTFAKTICUWWEFQ-FQEVSTJZSA-N 456.524 2.361 50 10 JEGE Cc1nc(-c2ccc(F)cc2F)ccc1C(=O)NNC(=O)CN1C(=O)c2ccccc2C1=O 1865759480 CCOFUOQTHYQYAI-UHFFFAOYSA-N 450.401 2.392 50 10 JEGE COC(=O)c1cccc(C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)c1 1865851423 BJENVOLLDCXVJF-GFCCVEGCSA-N 454.508 2.146 50 10 JEGE CN(C)[S@](=O)(=NC(=O)[C@H]1C[C@@H](Br)C1)N1CCN(C(=O)OC(C)(C)C)CC1 1887760849 QMJJASLOVAVKPL-QFDBLCPBSA-N 453.403 2.099 50 10 JEGE CCN(CCOCCBr)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2046030000 VHWFQKFLPKMDOR-GOSISDBHSA-N 479.368 2.074 50 10 JEGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2c(B(O)O)cccc21 2248399162 ZOWZPYYBCYEGPK-INIZCTEOSA-N 456.307 2.183 50 10 JEGE Cc1csc(CN(C)C(=O)C[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)c1B(O)O 2268715941 BBFMQEBDNDVQPT-GOSISDBHSA-N 476.404 2.195 50 10 JEGE Cc1cc(Cl)c(B(O)O)cc1NC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C 2283947037 VTFBKFJXKWAUES-IBGZPJMESA-N 490.749 2.294 50 10 JEGE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NNC(=O)c1cccnc1 2313682860 MGCBCSQHPWEFPI-UHFFFAOYSA-N 450.480 2.166 50 10 JEGE Nn1c(SCC(=O)N/N=C/c2c[nH]c3ccccc23)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 58988943 NEIDEORGTOSWAQ-LSFURLLWSA-N 481.454 2.199 50 10 JEGE Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)c1 102847953 GIWBBNTXTJTIQG-WBILKINKSA-N 464.503 2.006 50 10 JEGE CC(=O)N1CCN(CCOc2ccc(CCNC(=O)NNC(=O)c3ccc(Cl)cc3)cc2)CC1 728134093 IDFUQZPZJLFATL-UHFFFAOYSA-N 487.988 2.070 50 10 JEGE COc1ccc(C=NNc2nc(SCC(=O)NNC(=O)c3ccc(Cl)cc3)n[nH]2)cc1 1084188411 XHSDDFQOQAAZKJ-UHFFFAOYSA-N 459.919 2.466 50 10 JEGE CCOc1cc(C=NNC(=O)CCCSc2nnc(-c3ccccc3O)n2N)ccc1O 1084205528 OATMGDMPILMDGR-UHFFFAOYSA-N 456.528 2.491 50 10 JEGE CC[C@@H](NC(=O)NNC(=O)c1ccc(Br)cc1)c1cccc(S(N)(=O)=O)c1 1321596101 KEFIJJKOXLYVDN-OAHLLOKOSA-N 455.334 2.192 50 10 JEGE Cc1c(C(=O)N2CCN(C)CC2)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772746648 DWJPMDTZMVXSIF-UHFFFAOYSA-N 453.499 2.283 50 10 JEGE CC(C)(C)OC(=O)N1CCOC2(CCC(NS(=O)(=O)CI)CC2)C1 2007717053 JUZMDJTXYPIGBN-UHFFFAOYSA-N 474.361 2.247 50 10 JEGE CC(C)(C)OC(=O)N1CCC[C@@](F)(CNS(=O)(=O)N2CCC(Br)CC2)C1 2106298065 JKBTUYSNAGTJTO-MRXNPFEDSA-N 458.394 2.419 50 10 JEGE O=C(N[C@H]1C(F)(F)C12CC(NS(=O)(=O)CCOCCCl)C2)OCc1ccccc1 2142154198 ZCZUQPFGOMRHFW-ISXOHVOVSA-N 452.907 2.254 50 10 JEGE CC(C)(C)OC(=O)N1CCC[C@]2(C1)C(=O)NCCN2CCCCI 2248240521 FXTYLOKBRBYZEP-KRWDZBQOSA-N 451.349 2.403 50 10 JEGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCc2cc(B(O)O)ccc21 2283973938 WVOLGNKGFSVSCI-HTAPYJJXSA-N 468.359 2.144 50 10 JEGE COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1 15714556 SRFVJWBSCXBQMD-UHFFFAOYSA-N 475.567 2.088 50 10 JEGE COc1ccccc1NC(=O)C(=O)NN=C1C(=O)N(CC(=O)Nc2ccc(C)cc2)c2ccccc21 252636094 XDTNOTZHOMJIHQ-UHFFFAOYSA-N 485.500 2.448 50 10 JEGE CC(=O)NNC(=O)[C@H](C)Sc1n[nH]c(NN=Cc2ccc(COc3ccc(F)cc3)o2)n1 1084288052 LOLIRHVRTXKXRD-NSHDSACASA-N 461.479 2.210 50 10 JEGE O=C(NN=C1[C@H]2OC[C@@H](O2)[C@H]2[C@@H](C(=O)c3ccccc3)[C@@H]12)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1848357819 CIZRBZQICZJVBQ-IALVOCICSA-N 452.379 2.089 50 10 JEGE C[C@@H](Br)C[C@@H]1COCCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2065577685 UMQUCZWYORIYGG-HUUCEWRRSA-N 473.389 2.267 50 10 JEGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CC[C@@H]2[C@H](Br)CCC[C@H]2C1 2213405491 NKAZVQBKIGGMMA-GRDNDAEWSA-N 455.374 2.498 50 10 JEGE Cc1cc(NC(=O)[C@H]2C[C@@H](Br)C2)c(I)cc1S(N)(=O)=O 2240638368 TYAZVSYKHVDOQL-OCAPTIKFSA-N 473.130 2.359 50 10 JEGE Cc1cc(B(O)O)c(C)cc1NC(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2284054300 AIINTMIOTTVHJA-VWLOTQADSA-N 467.375 2.091 50 10 JEGE C=CCNS(=O)(=O)c1cccc(C(=O)NNc2c(F)cc(C(=O)NC3CC3)cc2F)c1 1466208388 IARCDJRICZXXHV-UHFFFAOYSA-N 450.467 2.078 50 10 JEGE COc1ccc(C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1OC 1860771636 CBRCJYFUOVZRMY-LBPRGKRZSA-N 456.524 2.376 50 10 JEGE COc1ccc([C@H](C)N2C[C@@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1OC 1872960809 GFIVGWXYZYRMOO-IHPCNDPISA-N 495.580 2.390 50 10 JEGE COc1ccc([C@H](C)N2C[C@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1OC 1872960813 GFIVGWXYZYRMOO-YSIASYRMSA-N 495.580 2.390 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@@]2(C[C@H](Br)CO2)C1 2081999724 VOIQKHFGCPASHW-IFXJQAMLSA-N 471.373 2.021 50 10 JEGE CO[C@@H]1CCN(S(=O)(=O)N2CCC(Br)CC2)[C@H](CNC(=O)OC(C)(C)C)C1 2163056564 SSLJRLZXUNPXNZ-LSDHHAIUSA-N 470.430 2.095 50 10 JEGE COc1ccc(CC(=O)NNC(=S)NC(=O)COc2ccc(Br)c(C)c2)cc1 12573490 KCKSISKUVHWJLU-UHFFFAOYSA-N 466.357 2.410 50 10 JEGE Cc1ccccc1NC(=O)CN1C(=O)/C(=N\NC(=O)C(=O)Nc2ccccc2O)c2ccccc21 108248083 JQEYQXXTIQQWQR-SLMZUGIISA-N 471.473 2.145 50 10 JEGE COC(=O)c1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CSc2ccccc2)cc1 254846045 IRSBMVFGSAJQLE-UHFFFAOYSA-N 478.494 2.075 50 10 JEGE COCC[C@@H](CBr)NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703992434 AGMAZXZXEYPWDY-ZDUSSCGKSA-N 461.378 2.028 50 10 JEGE C=CCOc1ccc(CNC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 1564734579 LOXWDJSGWMJTPA-UHFFFAOYSA-N 458.540 2.180 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@H](CBr)C[C@H]1CCOC1 2074894821 DXILQZRXDVFCNW-CABCVRRESA-N 473.389 2.172 50 10 JEGE O=C(c1cc(I)ccc1O)N1C[C@H]2COC[C@@H](C1)C2Br 2167770003 OSEMXWXWKVBNIR-PHXKMMTBSA-N 452.086 2.479 50 10 JEGE CC(C)(C)OC(=O)N(CCNC(=O)c1cc(F)c(B(O)O)cc1Cl)OCc1ccccc1 2256015865 YWNXJUNFXQYILY-UHFFFAOYSA-N 466.702 2.258 50 10 JEGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(B(O)O)cc1 2301716218 CLKAHKHXZSNAOK-DEOSSOPVSA-N 458.323 2.300 50 10 JEGE C=CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)Nc2ccc(Br)cc2)cc1 1634931645 WUFMJWYMUJCDJZ-UHFFFAOYSA-N 453.318 2.380 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)CI)C(F)(F)CC1 1910136368 RBCCLXGFVLINDR-VIFPVBQESA-N 454.277 2.333 50 10 JEGE C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1)c1cccc(B(O)O)c1 2268646631 KMWHJUKFHXIMFF-FVJLSDCUSA-N 456.348 2.042 50 10 JEGE O=C(NC1(C(=O)N2Cc3cccc(B(O)O)c3C2)CC1)OCC1c2ccccc2-c2ccccc21 2319282181 HSIHOCBMCSJEFM-UHFFFAOYSA-N 468.318 2.280 50 10 JEGE COC(=O)c1cccc(C(=O)NNC(=O)c2ccc(OC)c(I)c2)c1 10292602 BCWAQIJCWSEQRV-UHFFFAOYSA-N 454.220 2.161 50 10 JEGE CCNC(=O)/C(C#N)=C\c1c(N2CCN(c3ccc(OC)cc3)CC2)nc2c(C)cccn2c1=O 33584361 JGRYKACHFZKKDU-MNDPQUGUSA-N 472.549 2.381 50 10 JEGE COc1ccc(/C=N/NC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)cc1OCc1ccc(C)cc1 169925142 CVOQCERCNPADJC-DHRITJCHSA-N 450.495 2.351 50 10 JEGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1CSc1nncn1C)c1ccc(CC(C)C)cc1 254740517 UOSOUUOTYFPCMN-UHFFFAOYSA-N 495.573 2.006 50 10 JEGE CC(C)CC(=O)N1CCN(C(=O)CCCCCNC(=O)NNC(=O)c2cn(C)c3ccccc23)CC1 727474118 YYPJYQQCGXHEPJ-UHFFFAOYSA-N 498.628 2.400 50 10 JEGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)N(C)c2ccc(OC)nc2)cc1 746517082 HZXMORHSTMQFCV-ATVHPVEESA-N 460.494 2.408 50 10 JEGE CC(C)(C)OC(=O)N1C[C@@H]2CN(S(=O)(=O)N3CCC(Br)CC3)C[C@@]2(C)C1 2106772830 IISIDDSTFGHTPT-CXAGYDPISA-N 452.415 2.279 50 10 JEGE CC(C)(C)OC(=O)N1CC2(CCCN(S(=O)(=O)N3CCC(Br)CC3)C2)C1 2106776563 JHCJDQCMDVUPNZ-UHFFFAOYSA-N 452.415 2.423 50 10 JEGE CC(C)(C)OC(=O)N[C@H]1CCN(S(=O)(=O)N2CCC(Br)CC2)CC1(F)F 2106778641 FRXBOZBRHJNVRH-LBPRGKRZSA-N 462.357 2.325 50 10 JEGE Cc1cc(CNC(=O)CCNC(=O)OCC2c3ccccc3-c3ccccc32)sc1B(O)O 2243911852 XPYSJHRYPCKWCI-UHFFFAOYSA-N 464.352 2.281 50 10 JEGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cccc(B(O)O)n1 2248401407 IHBWMJFSJNPTGF-HSZRJFAPSA-N 459.311 2.263 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@@H]2CC[C@H](CBr)O[C@@H]2C1 2273534279 OQWOCEJYQVMOHN-HDMKZQKVSA-N 485.400 2.267 50 10 JEGE CC(C=NNC(=O)c1nnn(-c2nonc2N)c1CN(C)C1CCCCC1)=Cc1ccco1 2297469543 LGOKNQFRUDBWMJ-UHFFFAOYSA-N 453.507 2.409 50 10 JEGE CN(C)[C@H]1CN(C(=O)c2c(Br)c(Br)nn2C)C[C@H]1Br 2338673549 MHLFCDIECFBQMQ-RQJHMYQMSA-N 458.980 2.095 50 10 JEGE O=C(NNC(=S)Nc1ccccc1)[C@H]1CCCN([C@@H]2CC(=O)N(c3ccccc3)C2=O)C1 59108212 LFOHMNGZQWTVNQ-QFBILLFUSA-N 451.552 2.048 50 10 JEGE CC1CCN(C(=O)/C(C#N)=C\Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CC1 216440669 UKXVHWFONUHRIE-PEZBUJJGSA-N 452.964 2.439 50 10 JEGE NC(=O)[C@@H]1CCCN(Cc2cccc(CNC(=O)NNC(=O)c3ccc(Br)cc3)c2)C1 1326994694 HUKANBCOQWWNBC-GOSISDBHSA-N 488.386 2.291 50 10 JEGE C#CCN1CCN(C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(OC)c(OC)c2)CC1 1643134405 ZEFSXSTUTILTRE-HKWRFOASSA-N 458.522 2.165 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@@H]1C[C@@H](Br)CCO1 2036676804 PENAZELEBSXKID-GJZGRUSLSA-N 473.389 2.315 50 10 JEGE COc1ncc(Br)c(C)c1CO[C@H]1CS(=O)(=O)C[C@H]1I 2368197893 JPDGVAKEZVTHKH-MNOVXSKESA-N 476.130 2.278 50 10 JEGE COc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2[N+](=O)[O-])cc1Br 12501246 FYXSUENHESXHQA-UHFFFAOYSA-N 453.274 2.315 50 10 JEGE O=C(NNC(=S)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc(Cl)c([N+](=O)[O-])c1 100077792 BZYOMQSWQJDFTR-UHFFFAOYSA-N 468.791 2.014 50 10 JEGE COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 207228048 WMAQJKZGJSBJFC-WJDWOHSUSA-N 473.463 2.137 50 10 JEGE O=C(CNS(=O)(=O)c1ccccc1)NN=Cc1ccc(OC(=O)c2ccccc2F)cc1 254296747 LJMNXRGAUKUFNK-UHFFFAOYSA-N 455.467 2.474 50 10 JEGE CC(=O)[C@H]1CC(C(=O)NNC(=O)[C@@H](C)Nc2nc3ccccc3s2)=NN1c1ccccc1 751318652 FHJNFGSNQYVHBR-FZKQIMNGSA-N 450.524 2.468 50 10 JEGE C=CCN1C(=O)c2ccc(C(=O)NNC(=O)CCCCCNC(=O)OC(C)(C)C)cc2C1=O 1300936120 QUJDLZKHFXKSSI-UHFFFAOYSA-N 458.515 2.315 50 10 JEGE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNc3cnnc4ccccc34)CC2)cc1 1472510070 GRFWQDKJQMQCBZ-UHFFFAOYSA-N 453.524 2.376 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@H](CBr)CC(F)F 1936748541 IZQMYGPOMJNUGE-NSHDSACASA-N 453.305 2.401 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@@H]2CCC[C@H](Br)[C@H]2C1 1945730246 GWEJLJRQLMLPNV-JQFCIGGWSA-N 455.374 2.498 50 10 JEGE CC(N)=C(C#N)C(=O)COC(=O)C1(S(=O)(=O)c2ccc(Br)cc2)CCCC1 2040488363 PEXHJLGACVCZBJ-UHFFFAOYSA-N 455.330 2.404 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(CCBr)C1CCOCC1 2353569885 XMVSDWMWPWJYHS-IBGZPJMESA-N 491.379 2.217 50 10 JEGE Cn1ncc(C(=O)N2CC3(CCOCC3)[C@H]2CBr)c1I 2381131373 MSRJADVWMALWGZ-SNVBAGLBSA-N 454.106 2.041 50 10 JEGE O=C(NNc1ncnc(NNC(=O)c2ccccc2Cl)c1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 40658108 IMEGFZNBTXXGCY-UHFFFAOYSA-N 472.805 2.460 50 10 JEGE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)N2CCC(Br)CC2)CC2(CC2)C1 2106297112 WMVNQXKFTSCZIZ-CQSZACIVSA-N 452.415 2.470 50 10 JEGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2sc(B(O)O)cc2C1 2248416329 QLLXHEYMIMDGOV-OAHLLOKOSA-N 476.363 2.240 50 10 JEGE N#CC(=CN=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1)C(=O)NCc1ccccc1 2297471480 CADIJGPZBWXFBH-VQTJNVASSA-N 452.561 2.485 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2[C@@H](Br)CC[C@H]2C1 2308994553 VHEILDBRBAENPK-DNQNPRGNSA-N 473.364 2.446 50 10 JEGE COc1ccc(C(=O)NNc2ncnc(N3CCN(c4ccc(OC)cc4)CC3)c2[N+](=O)[O-])cc1 40611234 REVBHYUNKPFFTB-UHFFFAOYSA-N 479.497 2.486 50 10 JEGE C=CCOc1ccccc1C=NNC(=O)Cn1c(=O)c2c(ncn2CC)n(Cc2ccccc2)c1=O 916330873 CWJYECXLMQJDGC-UHFFFAOYSA-N 486.532 2.143 50 10 JEGE C=CCNC(=S)NNC(=O)c1c(I)ccc(Br)c1F 1618600996 NFLRSORUMGULON-UHFFFAOYSA-N 458.094 2.488 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N(CCBr)CC(F)F 1936749856 VLEBMOHDORHVCB-UHFFFAOYSA-N 453.305 2.355 50 10 JEGE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2NS(=O)(=O)N1CCC(Br)CC1 2106295230 FDXWLZVSKTUOJK-CQSZACIVSA-N 452.415 2.470 50 10 JEGE CC(C)(C)OC(=O)NC[C@]12C[C@H](CCN1S(=O)(=O)N1CCC(Br)CC1)C2 2340783083 LOQKMMJBVONDIB-XFHMXUHZSA-N 452.415 2.470 50 10 JEGE COC(=O)/C(C#N)=C\c1c(N2CCN(c3ccc(OC)cc3)CC2)nc2c(C)cccn2c1=O 2200137 WWLUBOUXVJSGTD-SDXDJHTJSA-N 459.506 2.418 50 10 JEGE C[C@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)NNC(=O)COc1cccc(C(F)(F)F)c1 96652879 ABPIMWQUEJIUHC-BMSUMIBZSA-N 471.457 2.210 50 10 JEGE COC(=O)N1CCN(/C=C(/C#N)C(=O)Nc2ccc(I)cc2C)CC1 217254430 BYLVKGYYLFNWON-QBFSEMIESA-N 454.268 2.330 50 10 JEGE C=CCOc1ccccc1C=NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 915914463 SZTZLIXIIYBKEV-UHFFFAOYSA-N 457.552 2.355 50 10 JEGE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NNC(=O)C(F)(F)Oc2ccccc2)cc1 1475973028 ADRCMYIPGOXBDR-UHFFFAOYSA-N 454.455 2.318 50 10 JEGE CC(=O)c1ccc(S(=O)(=O)CC(=O)NNC(=O)c2ccccc2Br)cc1F 1587116586 WMXRLNZAFQKVPL-UHFFFAOYSA-N 457.277 2.026 50 10 JEGE Cn1ncc(C(=O)N2CCC(CI)CC2)c1I 1949199006 UOGJHDAHQPOEAG-UHFFFAOYSA-N 459.069 2.312 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](F)[C@H](CBr)C1 2008018713 QMAVYHQJFLMFJN-DOMZBBRYSA-N 461.353 2.303 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2[C@@H](Br)CC[C@H]2C1 2046026824 VHEILDBRBAENPK-BVNXPQQUSA-N 473.364 2.446 50 10 JEGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2C)cc1 14657263 SLRLLMCVFSIPSN-UHFFFAOYSA-N 496.383 2.497 50 10 JEGE O=C(NNc1ncnc(N2CCN(c3ccccc3)CC2)c1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] 40610849 HGIWRPDIABVINH-UHFFFAOYSA-N 464.442 2.377 50 10 JEGE O=C(NNC(=S)Nc1ccccc1)[C@H]1CCCN([C@H]2CC(=O)N(c3ccccc3)C2=O)C1 250535677 LFOHMNGZQWTVNQ-LPHOPBHVSA-N 451.552 2.048 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@H]2C[C@@H](Br)CC[C@H]2C1 703958870 WFHXFBLECBDYPO-ZNMIVQPWSA-N 455.374 2.498 50 10 JEGE Cn1cc(C(=O)NNC(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)c2ccccc21 725874620 HAXGTNLOZDKSKU-UHFFFAOYSA-N 469.567 2.497 50 10 JEGE CC(=O)N1CCN(c2ccccc2CNC(=O)NNC(=O)c2ccccc2Br)CC1 726274085 MWSNBFKECQXEGM-UHFFFAOYSA-N 474.359 2.262 50 10 JEGE O=S1(=O)CC[C@@H](C(CBr)(CBr)C[C@@H]2CCCS2(=O)=O)C1 822170885 JNRUISFDUGEYCR-MNOVXSKESA-N 452.230 2.165 50 10 JEGE CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NNC(=S)Nc2cc(C)ccc2F)cc1 1303279533 UQPHRCKSOVRJFK-UHFFFAOYSA-N 452.533 2.023 50 10 JEGE COc1ccccc1OCC(=O)NNC(=O)[C@H](C)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860772485 ZXWPDRGPJUGZTR-KGLIPLIRSA-N 470.551 2.379 50 10 JEGE O=C(NCCNC(=O)c1ccc(B(O)O)cc1Cl)OCC1c2ccccc2-c2ccccc21 2243437652 ADFZDSPTPMGIRR-UHFFFAOYSA-N 464.714 2.288 50 10 JEGE Cc1c(Cl)cc(C(=O)N2CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC2)cc1B(O)O 2282297401 LDAYSKHMOASGHF-UHFFFAOYSA-N 497.785 2.173 50 10 JEGE Cc1cc(B(O)O)ccc1NC(=O)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2284014733 DKMXGYMLJUMHNF-VWLOTQADSA-N 468.359 2.457 50 10 JEGE CCc1c(C(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)c(OC)c2)nnn1-c1nonc1N 3637706 STBUHZYXEMKYAM-OPEKNORGSA-N 480.460 2.286 50 10 JEGE Cn1cc(C(=O)NNC(=O)CCCCCNC2=NS(=O)(=O)c3ccccc32)c2ccccc21 10736704 POINULXACINWGN-UHFFFAOYSA-N 467.551 2.238 50 10 JEGE COC(=O)[C@@H](I)CNC(=O)c1ccc(F)cc1I 234590925 SQZCKUHSYANFTK-VIFPVBQESA-N 477.011 2.137 50 10 JEGE C[C@@H](CC(CBr)(CBr)[C@H]1CCS(=O)(=O)C1)CS(C)(=O)=O 706480871 XKIKWCNZYCGVCB-QWRGUYRKSA-N 454.246 2.268 50 10 JEGE C[C@@H](NC(=O)COc1ccc(C=NNC(=O)C(=O)NCc2ccccn2)cc1)c1ccccc1 1084151284 OOOOGMMTSFJIRI-GOSISDBHSA-N 459.506 2.104 50 10 JEGE C#C[C@H](NC(=O)NNC(=O)C1CCN(c2ncccn2)CC1)c1ccc(Br)cc1 1686920042 RXVOUQIUVVVKGY-KRWDZBQOSA-N 457.332 2.160 50 10 JEGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 1993236102 VJKHLLRKVJDLRH-UONOGXRCSA-N 465.638 2.379 50 10 JEGE CC(C)(C)OC(=O)NCC1CC2(CCN2S(=O)(=O)N2CCC(Br)CC2)C1 2125783091 QWUFCQYJWVVURB-UHFFFAOYSA-N 452.415 2.470 50 10 JEGE O=C(NC1(C(=O)N2CCc3scc(B(O)O)c3C2)CC1)OCC1c2ccccc2-c2ccccc21 2319026783 MRGVVOQOQPYDSR-UHFFFAOYSA-N 488.374 2.384 50 10 JEGE CN1C(=O)C(=NNC(=O)CCCCCCC(=O)NN=C2C(=O)N(C)c3ccccc32)c2ccccc21 254737760 OQFVSHABUULWIQ-UHFFFAOYSA-N 488.548 2.321 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N[C@@H](CBr)CC(F)(F)F 717837075 YTSZTAUQTWSBGL-SNVBAGLBSA-N 457.268 2.308 50 10 JEGE Cc1csc(CC(=O)NNC(=O)COC(=O)c2cc3c(Br)cccc3[nH]2)n1 728730366 NNZOTUJFHBMSIJ-UHFFFAOYSA-N 451.302 2.242 50 10 JEGE COc1cccc(OCC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1 1860772119 RSJKTRWJOITDEK-UONOGXRCSA-N 470.551 2.379 50 10 JEGE COc1ccc(N2C[C@@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1Cl 1872960925 HNSRCOPTUUALIL-CVEARBPZSA-N 471.945 2.478 50 10 JEGE CC(C)(C)OC(=O)NCCSSCCNC(=O)C1(O)CC(NC(=O)OC(C)(C)C)C1 1993317211 SSKJACVVUBAOAF-UHFFFAOYSA-N 465.638 2.427 50 10 JEGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 2296718564 XDFIBOOZYPDVFP-SFHVURJKSA-N 478.530 2.314 50 10 JEGE COc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(C)cc1Br 12403249 HXUJMIDTSRICOG-UHFFFAOYSA-N 452.330 2.481 50 10 JEGE O=C(CCCCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O)N/N=C/c1cc([N+](=O)[O-])ccc1O 13985517 DAHABLPKAGTTDE-XHQRYOPUSA-N 472.414 2.075 50 10 JEGE O=C(CCC(=O)NNC(=S)NC(=O)CCC(=O)OCCCc1ccccc1)NCc1ccccc1 13999308 HTOLXKWOGGASSJ-UHFFFAOYSA-N 498.605 2.061 50 10 JEGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2)cc1Br 14662130 LWGJLTQFZRLCGC-UHFFFAOYSA-N 452.330 2.424 50 10 JEGE C[C@@H]1[C@H](OC(=O)CCC(=O)NC(C)(C)CO)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@H]1[C@@]24OO3 504028230 JQUKZDZVFSIJPC-QDAQEVRKSA-N 455.548 2.405 50 10 JEGE biogenic COc1cc(C2=NNC(=O)CC2)ccc1NNC(=O)[C@H](CC(C)C)N1C(=O)c2ccccc2C1=O 1858079697 OMLBSYRCMMQAND-FQEVSTJZSA-N 477.521 2.463 50 10 JEGE Cc1c(N2C[C@@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)cccc1[N+](=O)[O-] 1872962276 SBBBMAGAQRYKRA-SJORKVTESA-N 466.498 2.033 50 10 JEGE O=C(c1ccc(I)c(O)c1)N1C[C@H]2COC[C@@H](C1)[C@@H]2Br 2189069985 ZCGAUMLWGCCSCT-IWIIMEHWSA-N 452.086 2.479 50 10 JEGE Cc1cccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)c1C 2297318642 PMNMWACODNNHRI-SFHVURJKSA-N 478.530 2.314 50 10 JEGE O=C(NCCS(=O)(=O)CCBr)c1cc(Cl)ccc1I 2335757006 LIDKDFIVBPAEBA-UHFFFAOYSA-N 480.549 2.484 50 10 JEGE C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)NNC(=O)c1ccccc1I 14033775 CICNMSIEFTZAAR-SNVBAGLBSA-N 455.208 2.428 50 10 JEGE Nc1nonc1-n1nnc(C(=O)NN=Cc2ccc(C(F)(F)F)cc2)c1-c1ccc2c(c1)OCO2 254519020 OSDFZJXTRCOIOW-UHFFFAOYSA-N 486.370 2.411 50 10 JEGE COc1cc(C=NNC(=O)c2ccccc2-n2cccc2)ccc1OCC(=O)N1CCOCC1 254702448 ZUONOWAZZFEHIK-UHFFFAOYSA-N 462.506 2.487 50 10 JEGE Cn1ncc(C(=O)NC(C)(CBr)CBr)c1I 382287642 QFFLYYWQPHKZCI-UHFFFAOYSA-N 464.927 2.303 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@@H]2CC[C@@H](Br)C[C@H]2C1 703958868 WFHXFBLECBDYPO-SOUVJXGZSA-N 455.374 2.498 50 10 JEGE NC(=O)Cn1cc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)c(-c2ccccc2)n1 725274312 RRQOFQACLLHSKS-UHFFFAOYSA-N 453.502 2.422 50 10 JEGE COc1ccc(NCC(=O)NNC(=O)C2CCN(C(=O)N(C)Cc3ccccc3)CC2)cc1 727484106 FYMSAHVHMKXWIH-UHFFFAOYSA-N 453.543 2.219 50 10 JEGE C=C[C@@](C)(O)CC(=O)NNC(=O)CCN1CCN(C(c2ccccc2)c2ccccc2)CC1 1540458774 CXVQBFFMYQBTTL-AREMUKBSSA-N 450.583 2.258 50 10 JEGE CCOc1ccc(S(=O)(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 1860770685 RSZCPLDSTYZIAQ-ZDUSSCGKSA-N 476.580 2.306 50 10 JEGE C[C@H](C(=O)NNC(=O)c1cc2ccccc2oc1=O)n1cnc2sc3c(c2c1=O)CCCC3 1860771906 LJYQDFWPLFMFPR-GFCCVEGCSA-N 464.503 2.465 50 10 JEGE O=C(CCC(=O)c1ccc(F)cc1)NNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 1865851959 LKRVALCXFXQZNV-UHFFFAOYSA-N 456.499 2.286 50 10 JEGE CC(C)n1cc(B(O)O)cc1C(=O)NCCCONC(=O)OCC1c2ccccc2-c2ccccc21 2267320793 YILOGSAPSIDQSY-UHFFFAOYSA-N 491.353 2.339 50 10 JEGE COc1ccc(C=C(C#N)C(=O)Nc2ccc(OC)cc2S(=O)(=O)N2CCOCC2)cc1 2297491215 WMHJFNWVMGEPQR-UHFFFAOYSA-N 457.508 2.270 50 10 JEGE CCOC(=O)N1CCN(c2ncnc(NNC(=O)c3ccc(Cl)cc3Cl)c2N)CC1 40793520 PSOSFDNVFVEAHH-UHFFFAOYSA-N 454.318 2.401 50 10 JEGE Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1/C(=N/NC(=O)c1ccccn1)CCC2 101605977 RBOLXRNIXUZFBA-PCLIKHOPSA-N 476.449 2.436 50 10 JEGE O=C(NNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1)c1cc(Br)c[nH]1 1087991460 KLQQWHBMZJFLAH-INIZCTEOSA-N 457.284 2.399 50 10 JEGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1C[C@H](CBr)[C@@H](C(F)(F)F)C1 1999598381 CRPPAPLKXORHST-GWCFXTLKSA-N 469.279 2.118 50 10 JEGE CC1CCN(C(=O)C(C#N)=CNc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CC1 2324583932 UKXVHWFONUHRIE-UHFFFAOYSA-N 452.964 2.439 50 10 JEGE CC(C)C[C@H](C(=O)N1CCC[C@@H](C(=O)NNc2ccccn2)C1)N1C(=O)c2ccccc2C1=O 1873777328 FJRADMLJCYYUOW-YLJYHZDGSA-N 463.538 2.474 50 10 JEGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1cc(B(O)O)cs1 2243665374 SBBOHRWUNRFCCA-OAHLLOKOSA-N 464.352 2.314 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H](Br)[C@H]2COC[C@H]21 2338840349 LVWSSAWPMVDVME-FGTMMUONSA-N 485.400 2.267 50 10 JEGE O=C(/C=C/c1ccc(Cl)cc1)NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 13623636 QBXMBMZKCZQCSI-VGMNTSGFSA-N 456.955 2.424 50 10 JEGE O=C(CSCC(=O)Nc1ccccc1)NN=Cc1cc([N+](=O)[O-])ccc1N1CCOCC1 252606164 GPXBMDHWUNNOMJ-UHFFFAOYSA-N 457.512 2.253 50 10 JEGE Cc1nc(S(=O)(=O)N[C@H](CI)C(C)C)c(Br)n1C 381158795 PVNFIFHHVRGMGX-MRVPVSSYSA-N 450.140 2.229 50 10 JEGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1C[C@@H](CBr)[C@H](C(F)(F)F)C1 709803628 CRPPAPLKXORHST-ZWNOBZJWSA-N 469.279 2.118 50 10 JEGE C[C@@H]1C[C@H](Br)CN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2000534523 WDTBHXKSAJTHIV-VBHSOAQHSA-N 461.353 2.446 50 10 JEGE CO[C@@]1(CBr)CCCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 2029233342 RVACNDQPTZROTB-LJQANCHMSA-N 473.389 2.269 50 10 JEGE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)S(=O)(=O)c1ccc(B(O)O)cc1Cl 2255883079 ACSIQUOFKVMESU-UHFFFAOYSA-N 482.795 2.126 50 10 JEGE Cc1ccccc1Oc1nc2c(C)cccn2c(=O)c1C=C(C#N)C(=O)N[C@H]1CCS(=O)(=O)C1 2296720903 SAGWAHPXEXDVSY-SFHVURJKSA-N 478.530 2.314 50 10 JEGE Cc1cc(Br)cc(C)c1OCC(=O)NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 13629486 LQNNSTSSAZZIOQ-AWEZNQCLSA-N 464.316 2.234 50 10 JEGE COCCOc1ccc(C(=O)NNC(=O)COc2ccccc2OC)cc1Br 14661519 CMKSPRJKQCBPAK-UHFFFAOYSA-N 453.289 2.323 50 10 JEGE COc1ccc(/C(C)=N/NC(=O)CSc2nnc(CCc3ccccc3)n2N)cc1OC 58989806 PWOROMUMWRTFFM-BUVRLJJBSA-N 454.556 2.427 50 10 JEGE CCN(CC)c1ccc(C=NNC(=O)CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 254347172 ADKWSDRFJDEMQP-UHFFFAOYSA-N 485.610 2.197 50 10 JEGE C=CCNS(=O)(=O)c1ccc(CC(=O)NNC(=S)Nc2ccc(OCC)cc2)s1 1540374198 MNYRBFAAIMCJFK-UHFFFAOYSA-N 454.599 2.171 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H](Br)C[C@]2(CCCO2)C1 1924300168 XRFRXYWIDHYDLX-FOIQADDNSA-N 485.400 2.411 50 10 JEGE COc1cc(CNC(=O)C(C)(C)NC(=O)OCC2c3ccccc3-c3ccccc32)ccc1B(O)O 2273773344 QCKOEKXXQUSXJQ-UHFFFAOYSA-N 488.349 2.309 50 10 JEGE N#CC(=Cc1c(N2CCC3(CC2)OCCO3)nc2ccccn2c1=O)C(=O)NC1CCCCC1 2314435459 KLQQYZMACQDLQC-UHFFFAOYSA-N 463.538 2.394 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC2(CC[C@@H](CBr)O2)C1 2336881790 IKYRVYJIXWSLNE-HNNXBMFYSA-N 485.400 2.411 50 10 JEGE Cc1cc(OCC(=O)NNC(=S)NC(=O)COc2ccccc2)ccc1Br 12502184 UOGKLWMISOQRKE-UHFFFAOYSA-N 452.330 2.237 50 10 JEGE O=C(Cc1ccc([N+](=O)[O-])cc1)NNc1ncnc(N2CCN(c3ccccc3)CC2)c1[N+](=O)[O-] 40610865 POMZCBOJBQPUGK-UHFFFAOYSA-N 478.469 2.305 50 10 JEGE CN1CCN(Nc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2[N+](=O)[O-])CC1 40623694 ACWIDYIKLUCUAZ-UHFFFAOYSA-N 462.514 2.234 50 10 JEGE O=C(NN=C1[C@H]2OC[C@@H](O2)[C@@H]2[C@@H](C(=O)c3cccs3)[C@H]12)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 252623783 OZCNKKYIDMVWOO-ZMSRBJPPSA-N 458.408 2.151 50 10 JEGE CC(=NNC(=O)[C@H]1Cc2ccccc2O1)c1ccc(S(=O)(=O)N(C)CCCC(=O)O)cc1 748149186 UOAZQLZLWCPEHO-HXUWFJFHSA-N 459.524 2.016 50 10 JEGE CC1=N[C@@]2(C(C)=NNC(N)=O)[C@@H](C[C@@H]3[C@H]4CCC5=CC(=NNC(N)=O)C=C[C@]5(C)[C@@H]4C(=O)C[C@@]32C)O1 1083142788 OFEHTJTYDSSXJI-DYKYHUGISA-N 495.584 2.139 50 10 JEGE Nn1c(SCC(=O)NN=Cc2ccccc2Cl)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1083961601 ZPXOUBUMONEMPA-UHFFFAOYSA-N 476.862 2.371 50 10 JEGE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NNC(=O)c2cc(-c3ccccc3)[nH]n2)cc1 1475973086 COFGXKOEAGQSQU-UHFFFAOYSA-N 454.512 2.350 50 10 JEGE COC(=O)c1ccccc1NC(=S)NNC(=O)C1CCN(C(=S)N[C@H]2C[C@H]3C=C[C@H]2C3)CC1 1615950678 YWVCPNGEWNVWBD-QOKNQOGYSA-N 487.651 2.342 50 10 JEGE COc1ccc(C)cc1S(=O)(=O)NNC(=O)[C@H](C)n1cnc2sc3c(c2c1=O)CC[C@H](C)C3 1860770789 XGEWHTRTXIRAOD-JSGCOSHPSA-N 490.607 2.471 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@@H](CBr)C2(CCC2)C1 1914021036 UODAVBMMEAVBAP-CQSZACIVSA-N 455.374 2.500 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCC([C@H](F)CBr)CC1 1999582895 FEVGRDSPBQTTHF-MRXNPFEDSA-N 461.353 2.448 50 10 JEGE C[C@H](c1cc(B(O)O)cs1)N(C)C(=O)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2256671539 UBEHUUMIUZRNAR-CRAIPNDOSA-N 462.377 2.057 50 10 JEGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@@H]2[C@@H](CBr)CO[C@H]2C1 2364228043 HUOXDOMBMRQCDC-RNJXMRFFSA-N 471.975 2.427 50 10 JEGE Cn1nc(Br)c(Br)c1CNS(=O)(=O)N1CCC(Br)CC1 2364379760 RPOVKTVPXUZSCS-UHFFFAOYSA-N 495.035 2.139 50 10 JEGE COC(=O)c1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OC)c(Br)c2)cc1 10455776 CZVKVWLPUKSUHG-UHFFFAOYSA-N 466.313 2.194 50 10 JEGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 13623496 LXQMBWKPJIUCNJ-IBGZPJMESA-N 468.579 2.406 50 10 JEGE C=CCOc1ccc(C(=O)NNC(=S)NC(=O)CCC(=O)OCCc2ccccc2)cc1 14019421 PPMFFZJEGQGMIP-UHFFFAOYSA-N 455.536 2.453 50 10 JEGE COCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(C)cc1Br 14660641 WLWWTFDOKJXJBG-UHFFFAOYSA-N 496.383 2.497 50 10 JEGE CCc1ccc(N2C[C@@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1[N+](=O)[O-] 1872961873 NAFIHCPWGPFZGT-ROUUACIJSA-N 480.525 2.287 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC1(F)CC(CBr)C1 2049629092 FTTFAJCOXBMYNS-KQJRHQORSA-N 479.343 2.443 50 10 JEGE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)c2ccc(CBr)cc2)CC[C@H]1CO 2178899074 XJIDRECVIHAVRA-GOEBONIOSA-N 463.394 2.478 50 10 JEGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2cc(B(O)O)ccc2C1 2256607024 YAIIKBZEMMUANP-KRWDZBQOSA-N 470.334 2.178 50 10 JEGE C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1)c1cccc(B(O)O)c1 2268646622 KMWHJUKFHXIMFF-CSODHUTKSA-N 456.348 2.042 50 10 JEGE C[C@H](NC(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)c1ccc(B(O)O)cc1 2268702706 XGZGDWZOJYBRQH-LAUBAEHRSA-N 456.348 2.044 50 10 JEGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(NNC(=O)c2cccnc2)c1[N+](=O)[O-] 40659008 KSDQSCGWLRWXHY-UHFFFAOYSA-N 493.267 2.366 50 10 JEGE Cc1c(C(=O)NNC(=O)c2ccncc2)oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 101600382 YDCMWQXAFHMPPA-KOEQRZSOSA-N 476.449 2.436 50 10 JEGE COc1ccc(Br)c(C(=O)NNC(=O)c2cc(NC(C)=O)cc(NC(C)=O)c2)c1 728529768 NWDOBQLCIDMENR-UHFFFAOYSA-N 463.288 2.449 50 10 JEGE O=C(CSc1n[nH]c(NN=Cc2cc([N+](=O)[O-])ccc2O)n1)NNC(=O)c1ccc(Cl)cc1 1084315612 QKSGYFBTOOSDFQ-UHFFFAOYSA-N 490.889 2.071 50 10 JEGE COc1ccc(C(C)=NNC(=O)CSc2nnc(CCc3ccccc3)n2N)c(OC)c1 1084494904 CMWJDGCBVKJDHL-UHFFFAOYSA-N 454.556 2.427 50 10 JEGE CC(C)(C)OC(=O)N1C[C@H](CNS(=O)(=O)CI)[C@@H](C(F)(F)F)C1 1983328032 SPSLHCCPWVMFCV-IUCAKERBSA-N 472.267 2.344 50 10 JEGE O=C(NCC(=O)N1CCCc2cccc(B(O)O)c21)OCC1c2ccccc2-c2ccccc21 2248396988 HGYOXAGTRDAZFY-UHFFFAOYSA-N 456.307 2.184 50 10 JEGE C[C@H](c1cscc1B(O)O)N(C)C(=O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2256671163 OPJDCQHEMPDTLE-BEFAXECRSA-N 462.377 2.057 50 10 JEGE C[C@H](NC(=O)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1)c1cscc1B(O)O 2283990532 GGIWZULFWKUOSS-BXKMTCNYSA-N 488.415 2.449 50 10 JEGE COc1ccc([C@H](C)NC(=O)C(C#N)=CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 2325068271 CXQAVPQGNZKOLX-SFHVURJKSA-N 454.552 2.286 50 10 JEGE Cc1ccc(NC(=O)CN2C(=O)/C(=N\NC(=O)C(=O)Nc3ccc(C(=O)O)cc3)c3ccccc32)cc1 1952659 ODQPVXBXNHBGKT-IADYIPOJSA-N 499.483 2.138 50 10 JEGE Cc1ccc(S(=O)(=O)N2CCN(/C=C(/C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cc1 217233927 RSUXLFYIEPQQRI-ICFOKQHNSA-N 455.496 2.256 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@]1(CBr)CCCOC1 700892463 HNLLMCTUQYRCHM-HXUWFJFHSA-N 487.416 2.420 50 10 JEGE O=C1NCCC[C@@H]1C(=O)NN=C1C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 1084337969 IAXWDMGMVYSSGA-INIZCTEOSA-N 469.339 2.385 50 10 JEGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)C1 1872960787 GAGPABMFUORNSR-ROUUACIJSA-N 455.946 2.465 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CC[C@@H](CBr)C(F)(F)C1 1942546760 PFLKZSSKIIHWCI-LBPRGKRZSA-N 465.316 2.355 50 10 JEGE CC1(CC(CBr)(CBr)[C@@H]2CCS(=O)(=O)C2)CS(=O)(=O)C1 2153386482 OTOGIJMCPBTCEK-SNVBAGLBSA-N 452.230 2.022 50 10 JEGE COc1cc(C=NNC(=O)CSc2nnc(O)nc2O)ccc1OCc1ccccc1F 2323177027 JLYUJYNYLPMPKW-UHFFFAOYSA-N 459.459 2.252 50 10 JEGE CCOc1ccc(C)cc1[C@@H](C)NC(=O)C(C#N)=CNCCc1ccc(S(N)(=O)=O)cc1 2325074129 FGHJORQHGUGZPH-QGZVFWFLSA-N 456.568 2.458 50 10 JEGE COc1ccc(C(=O)NCC(=O)N/N=C/c2cc3c(cc2Br)OCO3)cc1OC 3162773 UBRUZXMSPMIRPS-GZIVZEMBSA-N 464.272 2.075 50 10 JEGE CCOC(=O)c1ccc(OCC(=O)N/N=C(/S)NC(=O)/C=C\c2ccccc2OC)cc1 33566432 PBZHHAAAPBXZKB-RAXLEYEMSA-N 457.508 2.397 50 10 JEGE N#C/C(=C/N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)NCCN1CCOCC1 217260327 ABRNFVBXOQSZIQ-LVWGJNHUSA-N 459.594 2.249 50 10 JEGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)N[C@H](C)CN2CCCCC2)cc1 920853809 HFBUVESYCMQPSG-WRDGEJPTSA-N 464.570 2.332 50 10 JEGE C=CC(=O)Nc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 1463539394 HHKGFXOOJRNMDW-UHFFFAOYSA-N 456.524 2.061 50 10 JEGE CC(=O)N1CCC[C@H](CNC(=O)NNC(=O)COc2ccc(OCc3ccccc3)cc2)C1 1478569558 UJAJRGBDAPOGSL-HXUWFJFHSA-N 454.527 2.233 50 10 JEGE C=C[C@H](COC)NC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 1681667073 JFPJTBXOQJNXIE-CQSZACIVSA-N 452.920 2.286 50 10 JEGE COc1cc(/C=N/NC(=O)Cn2c(O)nc3ccccc3c2=O)ccc1OC(=O)c1ccccc1 1873792305 BGUZHTWGULGNLB-VULFUBBASA-N 472.457 2.480 50 10 JEGE CCN(CC)S(=O)(=O)C[C@@H](Br)c1cnn(C)c1I 2028942072 SQSCLKSJKUHNLQ-SECBINFHSA-N 450.140 2.132 50 10 JEGE CN1CCN(C(=O)OC(C)(C)C)[C@@H](CNS(=O)(=O)c2ccc(CBr)cc2)C1 2162591658 MXDQCNXCINNNQK-HNNXBMFYSA-N 462.410 2.411 50 10 JEGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(B(O)O)cc1F 2317672535 YBRURYCHCKSOGS-DEOSSOPVSA-N 476.313 2.439 50 10 JEGE Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)CNC(=O)c1ccc2c(c1)OCCO2 1877479 UGQPMBLFJKKCHZ-BRJLIKDPSA-N 453.886 2.485 50 10 JEGE COc1ccc(Br)cc1C=NNc1nc(S[C@@H](C)C(=O)NNC(=O)C(C)C)n[nH]1 1084248869 MCBCRKBEHAUUCL-JTQLQIEISA-N 484.380 2.306 50 10 JEGE COc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)c1 1860772356 WQTROQYLGVSLEI-LLVKDONJSA-N 471.495 2.276 50 10 JEGE O=Cc1cc(B(O)O)cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c1 1887514797 YVDOQPMVIDRCMU-UHFFFAOYSA-N 456.307 2.250 50 10 JEGE Cc1cccc(C=C2SC(=O)N(CCC(=O)NNC(=O)[C@@H]3COc4ccccc4O3)C2=O)c1 2040430928 XZZGUOOGSOXSNE-SFHVURJKSA-N 467.503 2.409 50 10 JEGE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(B(O)O)c(F)c1F 2268635213 ORETWJIXNJKQPN-BFUOFWGJSA-N 464.274 2.082 50 10 JEGE O=C(Cc1cccc2ccccc12)NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 13630192 CVNWNSJGMYOJGS-QGZVFWFLSA-N 450.520 2.046 50 10 JEGE CCN(CC)S(=O)(=O)c1ccc(Nc2ncnc(NNC(=O)c3cccnc3)c2[N+](=O)[O-])cc1 40628046 IMLOWRJYMJQTLM-UHFFFAOYSA-N 486.514 2.311 50 10 JEGE COc1cc(C=NNC(N)=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 252605660 GLLVVOCCBUPZHQ-UHFFFAOYSA-N 489.291 2.378 50 10 JEGE O=C(CN1C(=O)C(=NNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc21)Nc1ccccc1 254734170 SZGHMOKTDRFPTM-UHFFFAOYSA-N 486.444 2.039 50 10 JEGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)COc3ccc(Cl)c(Cl)c3)cc2)CC1 728214964 WBECJHNUWAECQB-UHFFFAOYSA-N 473.382 2.452 50 10 JEGE CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NNC(=O)[C@@H]3Cc4ccccc4O3)cc2)cc1 748280198 PXJUSBXCRAGADG-QHCPKHFHSA-N 493.541 2.132 50 10 JEGE O=C(NN=Cc1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc(CN2CCOCC2)cc1 1084101164 VMFCCPCTFQWYDX-UHFFFAOYSA-N 453.499 2.028 50 10 JEGE CC(C)(C)OC(=O)N1CCC2(CC1)c1[nH]cnc1CCN2S(=O)(=O)CI 2129058323 IZKZONISTQEGPU-UHFFFAOYSA-N 496.371 2.216 50 10 JEGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2cc(B(O)O)ccc21 2248416025 KOOLCBBADSLESJ-MRXNPFEDSA-N 456.307 2.183 50 10 JEGE O=C(NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1)c1c(Cl)cccc1B(O)O 2267435448 ZRTNTCQCBDKHLN-UHFFFAOYSA-N 464.758 2.221 50 10 JEGE CC(C)(C)OC(=O)NC[C@@H]1CC(F)(F)CN1S(=O)(=O)N1CCC(Br)CC1 2278995579 MOGYBBNWFWEBIP-LBPRGKRZSA-N 462.357 2.325 50 10 JEGE C[C@@H]1C[C@H]2[C@@H]3C[C@H](Br)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO 2333121696 BFZCSZWVWZIJCC-GQKYHHCASA-N 471.363 2.269 50 10 JEGE O=C(CCC(=O)NNC(=S)NC(=O)COc1ccc(Cl)cc1Cl)NCc1ccccc1 12502422 JLSICIDTXPPXFD-UHFFFAOYSA-N 483.377 2.491 50 10 JEGE CC1(C)O[C@H]2CO[C@@](O)(CO)[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H]2O1 248161944 LYEYVIPMFIHSLX-FUCAVZNHSA-N 458.627 2.163 50 10 JEGE COc1ccc(-n2nnnc2SCC(=O)NN=Cc2c[nH]nc2-c2ccc(F)cc2)cc1 254835842 HKSKUJJOIGCHMW-UHFFFAOYSA-N 452.475 2.443 50 10 JEGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NNC(=O)C1=COCCC1 730767778 MHNQMCPKCUQOAP-UHFFFAOYSA-N 463.943 2.373 50 10 JEGE CC(=NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1ccc(S(N)(=O)=O)cc1 916279141 RDZCEYZFOHRYQQ-UHFFFAOYSA-N 475.530 2.246 50 10 JEGE NC(=O)COc1ccc(C=NNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 1084041424 ISYDINZLBVNBSN-UHFFFAOYSA-N 484.509 2.035 50 10 JEGE CCOc1cc(/C=C(\C#N)C(=O)N(C)C)cc(I)c1OCC(=O)OC 1084165613 OUPFODAWNQFEDS-WUXMJOGZSA-N 458.252 2.237 50 10 JEGE COc1ccc(NC(=O)C(=O)NN=Cc2cc3c(cc2Br)OCO3)c(OC)c1 1084421059 MXQUIIUUEQFZFQ-UHFFFAOYSA-N 450.245 2.284 50 10 JEGE CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 1435237481 WTYGATFJAFGTJE-HXUWFJFHSA-N 458.559 2.317 50 10 JEGE C#CC[C@@]1(C(=O)NNc2c(OC)cccc2S(C)(=O)=O)CCCN1C(=O)OC(C)(C)C 1624726131 CSCHOAIOAGTQCU-NRFANRHFSA-N 451.545 2.335 50 10 JEGE CC(=O)[C@H]1CC(C(=O)NNc2ccccc2S(=O)(=O)NC(C)(C)C)=NN1c1ccccc1 1636802875 BWRZMQDBKAFSCC-LJQANCHMSA-N 457.556 2.430 50 10 JEGE Cn1cc(C(=O)NN=CC2=C(N3CCOCC3)C(=Cc3ccc([N+](=O)[O-])cc3)CC2)ccc1=O 2053514592 SHROIUXTOSXMGU-UHFFFAOYSA-N 463.494 2.473 50 10 JEGE Cn1ncc(C(=O)N2CCC(OCCCBr)CC2)c1I 2207533757 UEAYKSXVTVAQJG-UHFFFAOYSA-N 456.122 2.431 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](F)C[C@@H](Br)C1 2213908294 SXRKEXPNYZDSLQ-QFSBIZTOSA-N 465.316 2.148 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@@H]1COC[C@H]1Br 2316825001 AXLAIKWIDGPRMB-RHSMWYFYSA-N 473.389 2.172 50 10 JEGE O=C(NNc1ncnc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1[N+](=O)[O-])c1ccccc1F 40658227 GNZPKYLHVZZCEJ-UHFFFAOYSA-N 495.471 2.332 50 10 JEGE Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)NCCc3cnn(C)c3)c2)c(C)c1 1317882438 GICXAGLCJCHDNL-UHFFFAOYSA-N 470.555 2.024 50 10 JEGE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H]3CC[C@@H](CN3S(=O)(=O)CI)[C@H]2C1 1983327913 RKUJQUSTCVPMLY-RNJOBUHISA-N 456.346 2.286 50 10 JEGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1ccc(B(O)O)s1 2243665329 RPKUWQSLUPNLFP-OAHLLOKOSA-N 464.352 2.314 50 10 JEGE CCOCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2Cl)cc1 9822030 OZHFIZLFLDVDLY-UHFFFAOYSA-N 451.932 2.470 50 10 JEGE C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NNC(=O)c3cn(C)c4ccccc34)c2)C[C@@H](C)O1 15093041 OBBUYMYRFSZDFV-HZPDHXFCSA-N 470.551 2.051 50 10 JEGE CCc1nnc(NS(=O)(=O)c2ccc(N/C=C3/C(=O)N(C)C(=O)C(C#N)=C3C)cc2)s1 103249184 PLPNTXZTXAUNAV-XNTDXEJSSA-N 458.525 2.036 50 10 JEGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)C(=O)NCc3ccccc3)cc2)cc1 1084095453 MQJOASQZHZDUIH-UHFFFAOYSA-N 460.490 2.479 50 10 JEGE C=CC[C@@]1(C(=O)NNC(=O)[C@@H]2CCN2C(=O)OC(C)(C)C)CCCN1C(=O)OC(C)(C)C 1645021659 LTTVPAIDRLPWAJ-NYHFZMIOSA-N 452.552 2.489 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2C[C@@H]2[C@H]1CBr 1910402749 LWEWRRPLINNCDN-MKXCTONWSA-N 459.337 2.056 50 10 JEGE CN(CCOCCBr)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942089692 RESXWTGJGTZZCC-UHFFFAOYSA-N 461.378 2.126 50 10 JEGE CCN1CCC[C@H]([C@@H](Br)c2cnn(C)c2I)S1(=O)=O 2089516397 WULQCMOSADBBBF-ZJUUUORDSA-N 462.151 2.275 50 10 JEGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCc2cc(B(O)O)ccc21 2283975970 WVOLGNKGFSVSCI-HTAPYJJXSA-N 468.359 2.144 50 10 JEGE CN(C)C[C@@H](Br)CN(C)C(=O)c1c(Br)c(Br)nn1C 2338859260 FLCWGJQFBLIAPZ-SSDOTTSWSA-N 460.996 2.342 50 10 JEGE Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c(Br)c1 13623025 LFGVBPFLWCPMKG-MRXNPFEDSA-N 460.328 2.332 50 10 JEGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 13623497 BSWBCZFWUIKDGW-GOSISDBHSA-N 454.552 2.160 50 10 JEGE COc1c(Br)c(C[C@@H]2CC(C(=O)NN=Cc3cccnc3)=NO2)c(OC)c2c1OCO2 15085974 LXUIFHGJHXTQTL-GFCCVEGCSA-N 491.298 2.428 50 10 JEGE COc1ccc(/C(C)=N/Nc2nc(SCC(=O)NNC(=O)c3ccc(F)cc3)n[nH]2)cc1OC 20923473 YFNPUIKRQOBPAJ-WYMPLXKRSA-N 487.517 2.350 50 10 JEGE CCCOc1ccc(-c2c(C(=O)NN=Cc3cccc([N+](=O)[O-])c3)nnn2-c2nonc2N)cc1 254868339 FKUMYTTZOOTSNZ-UHFFFAOYSA-N 477.441 2.360 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC([C@H](F)CBr)C1 2001903003 IFMWPWJMZXLQMU-RHSMWYFYSA-N 465.316 2.005 50 10 JEGE Cc1sc(B(O)O)c(C(=O)NCCNC(=O)OCC2c3ccccc3-c3ccccc32)c1C 2243414532 CPTCFGLNJSTBMY-UHFFFAOYSA-N 464.352 2.313 50 10 JEGE COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)C(C#N)=C2Nc3ccccc3N2C)cc1 2297299232 BUWHKTMVRHHBFJ-UHFFFAOYSA-N 470.551 2.450 50 10 JEGE Cc1ccccc1OCC(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1 12503257 WPMJOCMTJUSQOH-UHFFFAOYSA-N 452.330 2.237 50 10 JEGE O=C(CNC(=O)c1ccccc1Br)N/N=C1/C(=O)Nc2ccc(Br)cc21 27520783 HTJNAWIIDKJRAZ-UHFFFAOYSA-N 480.116 2.414 50 10 JEGE O=C(N1CCC[C@@H]([C@@H]2CCCCN2S(=O)(=O)CI)C1)C(F)(F)F 2007708209 KVIJUDDDYZSTNZ-MNOVXSKESA-N 468.279 2.364 50 10 JEGE CS[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NS(=O)(=O)N1CCC(Br)CC1 2084777673 CCXBVEUMBFLPEW-OLZOCXBDSA-N 458.444 2.031 50 10 JEGE Cc1cc(B(O)O)sc1CNC(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21 2243916133 LCHWGNSQGJUDPT-UHFFFAOYSA-N 464.352 2.281 50 10 JEGE C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1)c1ccc(B(O)O)cc1 2268635834 WETJXZOKVALZSX-FIKGOQFSSA-N 456.348 2.042 50 10 JEGE C[C@H](c1cc(B(O)O)cs1)N(C)C(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2268698581 BVPUKOCJHJCPHZ-VQIMIIECSA-N 476.404 2.448 50 10 JEGE CN1CCC(CBr)(NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CC1 2352606143 ZREUTASHEJHUHC-UHFFFAOYSA-N 486.432 2.232 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCN2C[C@H](Br)C[C@@H]2C1 2364213017 CUEFXKCOTPQOTF-IAGOWNOFSA-N 498.443 2.326 50 10 JEGE COc1ncc(Br)c(C)c1CO[C@@H]1CS(=O)(=O)C[C@@H]1I 2368197895 JPDGVAKEZVTHKH-WDEREUQCSA-N 476.130 2.278 50 10 JEGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 12502273 FHWYXPCJVSFAID-UHFFFAOYSA-N 474.455 2.191 50 10 JEGE Cc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C(/C#N)C(=O)N[C@H]1CCS(=O)(=O)C1 102990550 SZODIPGQAJQVJH-WBILKINKSA-N 464.503 2.006 50 10 JEGE CCOc1ccc(-c2c(C(=O)NN=C(C)c3cccc(NC(C)=O)c3)nnn2-c2nonc2N)cc1 254350966 UNKFQLBPYNZNIF-UHFFFAOYSA-N 489.496 2.411 50 10 JEGE Cn1cc(C(=O)NNC(=O)NCc2cccc(CN3CCC[C@@H](C(N)=O)C3)c2)c2ccccc21 731044339 OSXTUAXISJKIPA-LJQANCHMSA-N 462.554 2.020 50 10 JEGE CCO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NS(=O)(=O)N1CCC(Br)CC1 2162595376 WICKBURIWUAQFM-HUUCEWRRSA-N 470.430 2.095 50 10 JEGE NCCSSCCNS(=O)(=O)c1c(N)cc(Br)cc1Br 2191633353 FWWKBZOKMRULSF-UHFFFAOYSA-N 465.258 2.412 50 10 JEGE COC(=O)[C@H](CBr)NS(=O)(=O)c1cc(Br)ccc1Br 2343400036 JXEVQOGMSDFJBF-QMMMGPOBSA-N 479.972 2.426 50 10 JEGE O=C(COc1ccc(Br)cc1Br)NNC(=S)NC(=O)C1CC1 12571767 OIGLMVFXDLUKBT-UHFFFAOYSA-N 451.140 2.022 50 10 JEGE COc1ccc(OCC(=O)NC(=S)NNC(=O)CCC(=O)Nc2cccc(Cl)c2C)cc1 13978805 HTLIFSBOXKZVBQ-UHFFFAOYSA-N 478.958 2.477 50 10 JEGE CCN(CC)Cc1c(C(=O)NN=C(C)c2ccc(CC(C)C)cc2)nnn1-c1nonc1N 254499114 LDZVTABCTQGGGU-UHFFFAOYSA-N 453.551 2.427 50 10 JEGE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NNc2ccc(F)c(F)c2F)o1 728715424 DWXUTNMGJPOCCO-LBPRGKRZSA-N 461.418 2.170 50 10 JEGE Cc1c(CN)cc(B(O)O)cc1N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887522641 BEBUMEJETWHQTM-UHFFFAOYSA-N 471.366 2.205 50 10 JEGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CCOC2(CCC(Br)CC2)C1 2069659102 PYRHSAIQDMGGIX-UHFFFAOYSA-N 471.373 2.021 50 10 JEGE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CC[C@@H]2NS(=O)(=O)N1CCC(Br)CC1 2106297024 VPSKIEHCBAFUMH-YUELXQCFSA-N 452.415 2.468 50 10 JEGE CC(C)(C)OC(=O)N1C[C@H]2CC[C@@]2(CNS(=O)(=O)N2CCC(Br)CC2)C1 2136065048 LBUIJNQLNVCOII-CXAGYDPISA-N 452.415 2.327 50 10 JEGE Cc1cc(Cl)c(B(O)O)cc1NC(=O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2256671645 VWVASFIXUBCJSW-IBGZPJMESA-N 462.739 2.377 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)Nc2ccc(B(O)O)c(F)c2)C1 2283982995 FFNSAJDQZWGJES-XMMPIXPASA-N 472.322 2.288 50 10 JEGE C#C[C@@H](C)NC(=O)NNC(=O)Cc1csc(=NCc2ccco2)n1-c1cccc(OC)c1 1252431287 JACQOUBUKBZMBS-OAHLLOKOSA-N 453.524 2.136 50 10 JEGE C[C@@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)/C=C/c4ccc([N+](=O)[O-])cc4)c(=O)c23)C1 1860770076 RSOSLEOAUMEXFW-OMDQHUAHSA-N 467.507 2.352 50 10 JEGE C[C@@H](NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O)c1nnc(CBr)s1 2072473087 IJVWSFAQVKHNMD-LLVKDONJSA-N 487.401 2.490 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1COC(C)(C)[C@@H]1Br 2078732586 IKGNSDWZZGQUNF-HUUCEWRRSA-N 473.389 2.169 50 10 JEGE C[C@@H](NC(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)c1ccc(B(O)O)cc1 2268713402 XGZGDWZOJYBRQH-DYESRHJHSA-N 456.348 2.044 50 10 JEGE CN(C)S(=O)(=O)C[C@H](Br)c1c(Br)c(Br)nn1C 2301123400 YXLGNPAVSKRSBM-YFKPBYRVSA-N 453.982 2.273 50 10 JEGE COc1cc2[nH]c(C(=O)O)c(C=NNC(=O)CCc3nc4ccccc4[nH]c3=O)c2cc1OC 2321687220 DRFBBVOBIXCSGA-UHFFFAOYSA-N 463.450 2.203 50 10 JEGE Cn1nc(Br)c(Br)c1C(=O)N1CCN(CCCBr)CC1 2364229601 CDHDOUUWFSYRFS-UHFFFAOYSA-N 473.007 2.488 50 10 JEGE Cc1cc(OCC(=O)NC(=S)NNC(=O)c2ccccc2[N+](=O)[O-])ccc1Br 12573378 VCJZGQBIBZPPKP-UHFFFAOYSA-N 467.301 2.380 50 10 JEGE CCc1ccc(NC(=O)C(=O)N/N=C(\C)CC(=O)NCCc2ccc(OC)c(OC)c2)cc1 100996817 GZBPCXQDEZOQKK-JVWAILMASA-N 454.527 2.446 50 10 JEGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc2c(c1)OCO2)c1ccccc1Br 1084533112 SGJOZGPQTPULKK-UHFFFAOYSA-N 454.302 2.094 50 10 JEGE C/C(=C\c1cccnc1)C(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 1540370258 HSTPVPCEBKDZBS-GHRIWEEISA-N 450.520 2.425 50 10 JEGE Cc1cccc(OCC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1C 1860769986 ORINLSGLDDMJOE-ZDUSSCGKSA-N 454.552 2.426 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCCC1(CBr)CC1 2000540866 QXCRPVZJZSKHNO-QGZVFWFLSA-N 461.353 2.495 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@]2(C)C[C@@]2(CBr)C1 2046803375 SPEYSROXQYEOIJ-CEXWTWQISA-N 473.364 2.448 50 10 JEGE Cn1ncc(C(=O)N2C[C@H](CBr)OC3(CCC3)C2)c1I 2165761455 WNFOUNUVGJIGGN-VIFPVBQESA-N 454.106 2.183 50 10 JEGE O=C(NOCCCNC(=O)c1ncc(B(O)O)cc1Cl)OCC1c2ccccc2-c2ccccc21 2255564912 DSHVTXXKADCAKP-UHFFFAOYSA-N 495.728 2.005 50 10 JEGE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1C=C(C#N)C(=O)N[C@@H]1CCS(=O)(=O)C1 2296720277 IAROLLMCTXKTEU-QGZVFWFLSA-N 494.529 2.014 50 10 JEGE O=C(CNC(=O)c1ccc2c(c1)OCO2)N/N=C1/C(=O)N(Cc2ccccc2)c2ccccc21 100431666 VYEKLYQKQUEBQK-WEMUOSSPSA-N 456.458 2.212 50 10 JEGE CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](n3cnc(N)nc3=O)[C@H](O)[C@@H]2O[Si](C(C)C)(C(C)C)O1 199881978 VAGZMBQFNHKEMT-BRSBDYLESA-N 486.718 2.435 50 10 JEGE C=CCOc1ccccc1CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 1468843235 YGPDUXSRWDTTBC-UHFFFAOYSA-N 458.540 2.180 50 10 JEGE CC(=O)N(c1ccc(NC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1)[C@H]1C[C@@H]1C 1562845208 JKMSNYBDPUGDHH-YWZLYKJASA-N 451.531 2.307 50 10 JEGE C[C@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)c4cncc(Br)c4)c(=O)c23)C1 1860769683 CZSVXLFKOLEYQT-JTQLQIEISA-N 476.356 2.202 50 10 JEGE CC(C)(C)OC(=O)N1CCOC[C@](F)(CNS(=O)(=O)CCC(CCl)CCl)C1 2182442943 DLHPFZUXRXUKRC-INIZCTEOSA-N 451.388 2.365 50 10 JEGE CC(C)(C)OC(=O)Nc1cc(OCCNS(=O)(=O)CI)ccn1 2212657790 QSKYKISSRPSLPB-UHFFFAOYSA-N 457.290 2.119 50 10 JEGE Cc1cc(CN(C)C(=O)CNC(=O)OCC2c3ccccc3-c3ccccc32)sc1B(O)O 2243685308 RJGPAPYLNJCXDN-UHFFFAOYSA-N 464.352 2.233 50 10 JEGE COCCCNC(=O)C(C#N)=Cc1c(N2CCN(Cc3ccccc3)CC2)nc2ccccn2c1=O 2297461564 IAAQUDFGDHCXAD-UHFFFAOYSA-N 486.576 2.076 50 10 JEGE COCCn1[nH]c(Br)nc1=NCC(F)(F)C(F)(F)CI 2381940544 WFCYOBFQWXELLM-UHFFFAOYSA-N 475.022 2.226 50 10 JEGE CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)CCC(=O)OCCCc2ccccc2)cc1 13999239 MTRXKRVFKNKCSZ-UHFFFAOYSA-N 470.551 2.237 50 10 JEGE CCOC(=O)C1=c2s/c(=C/c3ccccc3F)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccccc1F 32939102 LGZUZXJNBZLMJX-MVDPLZLPSA-N 465.481 2.179 50 10 JEGE COc1ccc(C(=O)NNc2ncnc(N3CCN(Cc4ccccc4)CC3)c2[N+](=O)[O-])cc1 40611594 ALDVJOWDJBKZAQ-UHFFFAOYSA-N 463.498 2.473 50 10 JEGE Cc1cc(C)nc(SCC(=O)NN=Cc2cn(CC(=O)N3CCOCC3)c3ccccc23)n1 254555252 ZJEWIIONPKEAJZ-UHFFFAOYSA-N 466.567 2.149 50 10 JEGE COc1cccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CSc2ccccc2)c1O 254705193 AOIDKHMVHHPIGB-UHFFFAOYSA-N 466.483 2.003 50 10 JEGE Cc1cc(C=NNC(=O)c2cccnc2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 254814762 LXBSLKWSULJNAZ-UHFFFAOYSA-N 467.551 2.274 50 10 JEGE CC(=O)c1oc2cc(C)ccc2c1CC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 1540291499 YGIBLCOISKHTBE-UHFFFAOYSA-N 457.508 2.198 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H]2[C@H](Br)CC[C@H]2C1 1942098331 NDKMRVVDDDQJTF-IAOVAPTHSA-N 455.374 2.498 50 10 JEGE C[C@@H]1C[C@@H](Br)CN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2000534522 WDTBHXKSAJTHIV-SNUQEOBHSA-N 461.353 2.446 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H](OCCCBr)C1 2142044423 AFAIYHNUDUYVCP-LIRRHRJNSA-N 491.379 2.217 50 10 JEGE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ncc(B(O)O)cn1 2220156186 NXEFIEABKZIVPC-QRQCRPRQSA-N 474.326 2.048 50 10 JEGE O=C(COc1ccccc1)NNC(=S)NC(=O)c1ccccc1I 12501531 SUQREODWTXVZES-UHFFFAOYSA-N 455.277 2.006 50 10 JEGE O=C1NC(=O)[C@H](Cl)[C@H]1c1cc(I)cc(I)c1 709818835 IDOFUCBKKBSPSP-HTQZYQBOSA-N 461.424 2.243 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(CCBr)CC1CC1 2000531992 GKBSHUDETLPHDE-SFHVURJKSA-N 461.353 2.448 50 10 JEGE Cc1cc(B(O)O)c(CN(C)C(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc2ccccc2)s1 2268655012 GVDBDOKUVPAJSW-OXQOHEQNSA-N 476.404 2.193 50 10 JEGE O=C(Cc1ccc([N+](=O)[O-])cc1)NNc1ncnc(NCc2ccc3c(c2)OCO3)c1[N+](=O)[O-] 40585225 CTBCOGPPZIWBMM-UHFFFAOYSA-N 467.398 2.320 50 10 JEGE CC(C)COc1ccc(/C=N\NC(=O)[C@@H](Sc2n[nH]c(=O)[nH]c2=O)c2ccccc2)cc1 169891777 CHJGFOFECYLEME-NVIPHDJISA-N 453.524 2.477 50 10 JEGE CC(=NNC(=O)c1ccccc1Br)c1ccc(S(=O)(=O)N2CCNCC2)cc1 916247638 ORFPUNDZGXSNNK-UHFFFAOYSA-N 465.373 2.197 50 10 JEGE CC[C@@H](C)[C@H](CI)NS(=O)(=O)c1c(Br)cnn1C 2081240275 GAFABMWAVFQFBH-APPZFPTMSA-N 450.140 2.311 50 10 JEGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(B(O)O)cc1 2301716219 CLKAHKHXZSNAOK-XMMPIXPASA-N 458.323 2.300 50 10 JEGE Cn1nc(Br)c(Br)c1C(=O)NCC[C@@H]1COC[C@@H]1Br 2338684962 UKOXPNQFDCEIGA-RQJHMYQMSA-N 459.964 2.475 50 10 JEGE CCN(CC)Cc1c(C(=O)NN=Cc2cccc(Cl)c2Cl)nnn1-c1nonc1N 2187765 BHMCJRZKUMDEOC-UHFFFAOYSA-N 452.306 2.145 50 10 JEGE CC(C)(CCl)C(=O)N1CCN(c2nc(CN3CCN(c4ccccc4)CC3)cc(=O)[nH]2)CC1 95535962 ZGIYCBMFEFOHFP-UHFFFAOYSA-N 473.021 2.006 50 10 JEGE COc1ccccc1NC(=O)C(=O)N/N=C1\C(=O)N(CC(=O)Nc2ccccc2)c2ccccc21 103312123 NGGYLLQTWQDSFM-SLMZUGIISA-N 471.473 2.140 50 10 JEGE CN(/C=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 216500570 UCTZUQPRLMYPPP-GUHCFGCBSA-N 478.618 2.447 50 10 JEGE CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NNc3nc4ccncc4s3)CC2)c1 1302270971 OOKVFQYSRPHNPO-UHFFFAOYSA-N 459.553 2.438 50 10 JEGE CN1C(=O)Cc2cc(S(=O)(=O)NNC(=O)c3ccc(NC(=O)OC(C)(C)C)cc3)ccc21 1858081940 SPHLIZFXKFNUEX-UHFFFAOYSA-N 460.512 2.176 50 10 JEGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NNS(=O)(=O)c4ccccc4[N+](=O)[O-])c(=O)c23)C1 1860770380 GMTWXOJOVRTLQA-RYUDHWBXSA-N 491.551 2.062 50 10 JEGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(B(O)O)s1 1901486174 SDGWFQOSCIARLA-NRFANRHFSA-N 464.352 2.361 50 10 JEGE CC(C)(C)OC(=O)NCCSSCCN=c1[nH]cnc(I)c1N 1985350338 OYCQDAVFRXKHQO-UHFFFAOYSA-N 471.390 2.403 50 10 JEGE CC(C)(C)OC(=O)N[C@H](CNS(=O)(=O)N1CCC(Br)CC1)C(F)(F)F 2044258764 XJIYLPKMBVULMN-SNVBAGLBSA-N 454.309 2.136 50 10 JEGE CC(C)(C)OC(=O)N1C[C@H]2CN(S(=O)(=O)N3CCC(Br)CC3)C[C@@]2(C)C1 2106772833 IISIDDSTFGHTPT-SUMWQHHRSA-N 452.415 2.279 50 10 JEGE O=C(c1sccc1I)N1CCn2c(CBr)nnc2C1 2115149258 AGPJNQRPYCTPAI-UHFFFAOYSA-N 453.103 2.495 50 10 JEGE O=S(=O)(c1cnn(CCBr)c1)N1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 2179824249 SMZMABUZVFTRDD-QZTJIDSGSA-N 453.406 2.421 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H]2COC[C@]2(CCl)C1 2364197970 RFYIYKVJINTDFJ-IERDGZPVSA-N 454.976 2.360 50 10 JEGE O=C(CSc1n[nH]c(N/N=C/c2ccc(Br)cc2)n1)NNC(=O)C1CCC1 59879212 IECQIWSYSHFSIG-QGMBQPNBSA-N 452.338 2.053 50 10 JEGE COc1cc(C=NNC(=O)Cc2nnc(NC(=O)c3ccc([N+](=O)[O-])cc3)s2)ccc1O 254876658 CKFQDBFVLWMKCN-UHFFFAOYSA-N 456.440 2.106 50 10 JEGE CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)NNC(=O)C1CCN(c3ncccn3)CC1)O[C@@H](C)C2 730495322 BOSKRVIPQIBFPK-ZAAXVRCTSA-N 465.554 2.366 50 10 JEGE COc1ccc(N2CCN(CCNC(=O)NNC(=O)c3ccc(OC(C)C)c(OC)c3)CC2)cc1 742947558 GHRFDTDVQYXPNW-UHFFFAOYSA-N 485.585 2.257 50 10 JEGE C#Cc1cccc(NC(=S)NNC(=O)[C@@H]2CCCN2C(=O)c2ccc(OC)cc2OC)c1 1637294900 DWJBZEVTDMYWKV-IBGZPJMESA-N 452.536 2.308 50 10 JEGE CCCN(CCC)S(=O)(=O)c1ccc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2c1 1866097260 CFDQLJXKNZNTPT-UHFFFAOYSA-N 461.374 2.039 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CCBr)C1CC1 2000540200 DJJUNAJPQLWNJQ-MAUKXSAKSA-N 461.353 2.494 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@@H]1C[C@H](CBr)[C@@H]2C[C@H]12 2001892782 REQFRDMUYJNUFG-ISWURRPUSA-N 455.374 2.402 50 10 JEGE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](CCNS(=O)(=O)N2CCC(Br)CC2)O1 2181160566 ZDJUQYSAMOLMPJ-DZGCQCFKSA-N 470.430 2.095 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2COC[C@@]2(CCl)C1 2364209327 RFYIYKVJINTDFJ-HRAATJIYSA-N 454.976 2.360 50 10 JEGE COc1ccc(CC(=O)N/N=C2\C(=O)N(CN3CCOCC3)c3ccc(Br)cc32)cc1 2254670 GGUBIFZVSSNUQK-DAFNUICNSA-N 487.354 2.157 50 10 JEGE O=C(COc1ccc(Br)cc1Cl)NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 13629472 GXEVRWYBDUUGFC-NSHDSACASA-N 470.707 2.270 50 10 JEGE CN(C[C@H]1C[C@@H](Br)C1)C(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1887829537 KUVZDEIOOZBARM-HZSPNIEDSA-N 453.399 2.043 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@H](CBr)C[C@@H]1CCCO1 1926760795 RGYNQEFNEKAPLS-GJZGRUSLSA-N 473.389 2.315 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2C[C@@]2(CBr)C1 2022770319 QFQISAMVXTUHNG-JBBXEZCESA-N 459.337 2.057 50 10 JEGE Cc1nc(I)c(I)n1Cc1ccc(C(=O)NN)cc1 2088988108 RMYQKYFLKHVDGR-UHFFFAOYSA-N 482.063 2.053 50 10 JEGE C=C[C@]1(CBr)COCCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2135126702 IDGANQIWLLCCAM-FQEVSTJZSA-N 485.400 2.291 50 10 JEGE C[C@@H](NC(=O)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1)c1cc(B(O)O)cs1 2283992010 WDMUJRINZBUBTP-OSPHWJPCSA-N 488.415 2.449 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC2(CCOCC2)[C@H]1CCl 2381036827 HSBGOBDPGRFMEA-VQIMIIECSA-N 458.939 2.060 50 10 JEGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2)cc1 14657218 OMRCARYBNKFCAW-UHFFFAOYSA-N 482.356 2.189 50 10 JEGE COC(=O)c1cc(S(=O)(=O)NNC(=O)c2cn(C)c3ccccc23)c(Br)cc1F 728503732 ZCURXZVZBSOHGH-UHFFFAOYSA-N 484.303 2.490 50 10 JEGE Cc1cc(S(=O)(=O)NNC(=O)c2ccc(Br)cc2Cl)ccc1OCC(=O)O 728853347 FFGWXJMTKYRGGD-UHFFFAOYSA-N 477.720 2.498 50 10 JEGE COc1ccc(C)cc1S(=O)(=O)NNC(=O)[C@H](C)n1cnc2sc3c(c2c1=O)CCCC3 1860770537 MMFNSLIBLANDBW-ZDUSSCGKSA-N 476.580 2.225 50 10 JEGE C[C@@H]1CN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@H]1CBr 1906256756 MKDRUFYXNQSEAZ-VFVRVIDISA-N 461.353 2.303 50 10 JEGE COC[C@@](C)(CBr)N(C)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2046024756 CXAUAILJQDZEDM-QZTJIDSGSA-N 479.368 2.072 50 10 JEGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(NNC(=O)c2ccccn2)c1[N+](=O)[O-] 40659081 MGLSGQUMYWQLPO-UHFFFAOYSA-N 493.267 2.366 50 10 JEGE Cc1cc(C(=O)NNC(=O)C[C@H]2CCS(=O)(=O)C2)c(C)n1-c1cccc(Br)c1 110228894 ONLVSRQKDVXBKJ-CQSZACIVSA-N 468.373 2.442 50 10 JEGE COc1c(I)cc(C=NNC(=O)CC#N)cc1I 252627216 RPAQOSUZPIGXIK-UHFFFAOYSA-N 469.020 2.268 50 10 JEGE COc1cccc(N2C[C@H](C(=O)N3CCN(C(=O)C(C#N)=Cc4ccccc4)CC3)CC2=O)c1 2085374815 AAIPDCMRNKHGIF-OAQYLSRUSA-N 458.518 2.326 50 10 JEGE CC(C)(C)OC(=O)N1C[C@H](CNS(=O)(=O)N2CCC(Br)CC2)OC(C)(C)C1 2162588879 KSUGLUXBKFWZNQ-AWEZNQCLSA-N 470.430 2.095 50 10 JEGE O=S(=O)([C@@H](CBr)C1CC1)N1CC[C@H](N2CCN(Cc3ccccc3)CC2)C1 2179831176 UHOGFBDPWVDOIK-PMACEKPBSA-N 456.450 2.382 50 10 JEGE CC(C)CNC(=O)C(C#N)=CN=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(N(C)C)cc1 2296571257 NDQMUIYPDOLYEX-OALUTQOASA-N 461.613 2.007 50 10 JEGE CC(C)(C)OC(=O)N1CCCN([S@](C)(=O)=NCCOCCI)CC1 2306798823 IJAJYJCZFMAWGH-XMMPIXPASA-N 475.393 2.394 50 10 JEGE CCOC(=O)c1ccc(OCC(=O)NNC(=O)c2ccc(OC)c(I)c2)cc1 14027314 BUCDOXDPILBKJJ-UHFFFAOYSA-N 498.273 2.317 50 10 JEGE O=C(COc1ccccc1)NNc1ncnc(NNC(=O)c2ccc(Cl)cc2)c1[N+](=O)[O-] 40657812 KERDFOVNIDOMRT-UHFFFAOYSA-N 457.834 2.317 50 10 JEGE COc1cccc(C(=O)NCC(=O)NN=C2C(=O)N(Cc3ccc4c(c3)OCO4)c3ccccc32)c1 254762317 OJMNCVSLAHTLHB-UHFFFAOYSA-N 486.484 2.221 50 10 JEGE C[C@@H](C(=O)NNS(=O)(=O)c1cccs1)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860770441 ICFPUTNXMPUMKX-MNOVXSKESA-N 452.583 2.215 50 10 JEGE CN(C[C@H]1C[C@@H](Br)C1)C(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)OC(C)(C)C 1887823860 STNWSWUKOFDCQS-HZSPNIEDSA-N 453.399 2.043 50 10 JEGE Cc1cc(B(O)O)c(C)cc1NC(=O)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2284141570 FABYGFKXJBWKSF-UHFFFAOYSA-N 468.359 2.376 50 10 JEGE CN(Cc1c(Br)c(Br)nn1C)S(=O)(=O)CCCBr 2316895820 BLLOOLSGQFKLFK-UHFFFAOYSA-N 468.009 2.492 50 10 JEGE O=C(NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)C(c1ccccc1)c1ccccc1 13630157 GMGAWJHROFRKMW-IBGZPJMESA-N 476.558 2.482 50 10 JEGE COCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc([N+](=O)[O-])cc1 14662976 QUIAVURUMBCAIW-UHFFFAOYSA-N 497.327 2.332 50 10 JEGE C=CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cc(-c3ccc(CC)cc3)[nH]n2)cc1 1637729903 UQOXEJHNOOBTQM-UHFFFAOYSA-N 453.524 2.178 50 10 JEGE COc1ccc(C)cc1S(=O)(=O)NNC(=O)[C@@H](C)n1cnc2sc3c(c2c1=O)CCCC3 1860770536 MMFNSLIBLANDBW-CYBMUJFWSA-N 476.580 2.225 50 10 JEGE CN(Cc1sccc1B(O)O)C(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21 2243911679 VLODQLQMEKBWDX-UHFFFAOYSA-N 464.352 2.315 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2C[C@@H](CBr)[C@@H]2C1 2309716282 GSEDREHKPDCAOG-LKTHJCGVSA-N 473.364 2.303 50 10 JEGE N#CC1=Cn2c(s/c(=C/c3ccc4c(c3)OCO4)c2=O)=C(C#N)[C@H]1c1ccc2c(c1)OCO2 2230061 SVWHQJDQJCNCAK-FCNMGYEHSA-N 455.451 2.032 50 10 JEGE O=C(N1CCC[C@@H]([C@H]2CCCCN2S(=O)(=O)CI)C1)C(F)(F)F 2007708208 KVIJUDDDYZSTNZ-GHMZBOCLSA-N 468.279 2.364 50 10 JEGE COc1ccc(NC(=O)CCNC(=O)OCC2c3ccccc3-c3ccccc32)cc1B(O)O 2301530603 UUGJGJXODZAFIZ-UHFFFAOYSA-N 460.295 2.242 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H]2[C@@H](CBr)[C@@H]2C1 2311905187 VWIUAHYEOSGLFT-BGIGGGFGSA-N 473.364 2.303 50 10 JEGE CN1CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)[C@@H](CCCl)C1 2364205618 METRHNWGMXANLV-KRWDZBQOSA-N 456.008 2.418 50 10 JEGE COc1cc(Cl)ccc1C(=O)NNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 27266476 VTNIQFUAUOCUML-UHFFFAOYSA-N 451.932 2.211 50 10 JEGE CNS(=O)(=O)c1ccc(C=CC(=O)NNC(=O)c2ccc(COc3ccccc3)o2)cc1 2042449242 YRQMUFVUBUCGPB-UHFFFAOYSA-N 455.492 2.241 50 10 JEGE Cn1ncc(C(=O)N2CCC(COCCBr)CC2)c1I 2167393014 UNWZDSGXLPJSIS-UHFFFAOYSA-N 456.122 2.288 50 10 JEGE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)Nc1cc(F)c(B(O)O)c(F)c1 2341186359 OXULMDDUPAHURE-INIZCTEOSA-N 464.274 2.083 50 10 JEGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OC)cc2)cc1Br 14662102 NREBAEGVHFPQSK-UHFFFAOYSA-N 482.356 2.432 50 10 JEGE COCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccccc1 14662946 UNRMOFIXQZHBHK-UHFFFAOYSA-N 482.356 2.189 50 10 JEGE COc1ccc(N2C(=O)/C(=C/NNC(=O)Cc3cccn3C)c3ccccc3C2=O)cc1OC 37228432 QOVJIDATMRDDPS-HMMYKYKNSA-N 460.490 2.434 50 10 JEGE CCOc1cc(C=NNC(=O)c2nnn(-c3nonc3N)c2CSc2ccccc2)ccc1O 254353964 ZJSLDLSNRBKYFM-UHFFFAOYSA-N 480.510 2.393 50 10 JEGE CC(C)(C)OC(=O)N1CCC[C@H]([S@](C)(=O)=NS(=O)(=O)CI)C1 1910107755 PFGHDIOGFHLQMR-CWKPULSASA-N 466.363 2.206 50 10 JEGE CC[C@@H]1CN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@H]1Br 2000534497 VYDBMFBZEJHIHI-CDHAZOANSA-N 461.353 2.446 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1CCOC[C@@H]1CBr 2072947540 PSWGHKXNQUGKKA-XJKSGUPXSA-N 473.389 2.028 50 10 JEGE CC(C)(C)OC(=O)NC1(CCOc2ncc(Br)cc2B(O)O)CCSCC1 2240280974 OIOFRGDNXVEWEL-UHFFFAOYSA-N 461.187 2.083 50 10 JEGE COc1ccc(/C(C)=N/NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2N)c(OC)c1 58991358 KGQOUAYKDMKMBW-WSDLNYQXSA-N 471.499 2.217 50 10 JEGE CNc1c(I)cc(C=NNC(=O)CC#N)cc1I 1084615502 XXDREGLIZMIZGB-UHFFFAOYSA-N 468.036 2.301 50 10 JEGE CC(=O)N[C@](C)(C(=O)NNc1ccccc1OC(F)(F)F)c1ccc(S(C)(=O)=O)cc1 1556300924 LXULIOBTJXXKOB-SFHVURJKSA-N 459.446 2.483 50 10 JEGE COc1ccc(Cl)cc1S(=O)(=O)NNC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@H](C)C3 1860770739 VHALEIQKDCHHHP-NSHDSACASA-N 496.998 2.255 50 10 JEGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CC[C@@H](Br)C(F)(F)CC1 1937572951 MPYBUUMPFOCISI-CYBMUJFWSA-N 451.289 2.107 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H]1CCOC[C@H]1CBr 2072947474 OXVFXEZWDINCQW-RHSMWYFYSA-N 473.389 2.172 50 10 JEGE CC(C)(C)OC(=O)N1C[C@H]2CCN(S(=O)(=O)N3CCC(Br)CC3)C[C@H]2C1 2106773722 UCUSOFRYUXDSIB-ZIAGYGMSSA-N 452.415 2.279 50 10 JEGE CC(C)(C)OC(=O)N1CC(C[S@@](C)(=O)=NS(=O)(=O)N2CCC(Br)CC2)C1 2109492818 JOOGYFLHGPUQIW-RUZDIDTESA-N 474.443 2.055 50 10 JEGE CC(C)(C)OC(=O)NCC1(NS(=O)(=O)N2CC(Cl)C2)CCN(Cc2ccccc2)CC1 2246829444 NXXARLZQPLBSND-UHFFFAOYSA-N 473.039 2.303 50 10 JEGE Cc1cc(B(O)O)c(F)c(C(=O)NCCCONC(=O)OCC2c3ccccc3-c3ccccc32)c1 2267246430 NUDTZFMTZDOSLJ-UHFFFAOYSA-N 492.312 2.404 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H](Br)[C@H]2COC[C@H]21 2338840350 LVWSSAWPMVDVME-KZNAEPCWSA-N 485.400 2.267 50 10 JEGE CN(C[C@@]1(Oc2cc(B(O)O)c(F)cn2)CCCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C 2370029688 PACPKXUHRXWXQE-DEOSSOPVSA-N 473.354 2.181 50 10 JEGE CC(C)(CCl)C(=O)N1CCN(c2nnc(SCC(=O)NCc3ccco3)s2)CC1 49367854 WAAWFLWAGLMKTP-UHFFFAOYSA-N 458.009 2.453 50 10 JEGE O=C(CC[C@@H](O)c1ccccc1)N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O 100453773 UGPUPONUHBMYRJ-RFTFHOITSA-N 458.927 2.320 50 10 JEGE Cc1nc(S(=O)(=O)NCCCCCI)c(Br)n1C 310949251 YOLJSFSOZSABGV-UHFFFAOYSA-N 450.140 2.375 50 10 JEGE C[C@H]1CN(S(=O)(=O)CI)C[C@H](C)N1C(=O)OCc1ccccc1 1881743767 BCTFQTQEVXEUDP-STQMWFEESA-N 452.314 2.440 50 10 JEGE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(S(=O)(=O)N3CCC(Br)CC3)C[C@H]21 2106771646 JVDVCFRTEQAMIY-NWANDNLSSA-N 452.415 2.326 50 10 JEGE CC(C)(C)OC(=O)N1CCC(CI)(O[C@@H]2CCN(S(C)(=O)=O)C2)CC1 2257833826 SGUZPVVNOVTWQO-CYBMUJFWSA-N 488.388 2.242 50 10 JEGE C/C(N)=C(/C#N)C(=O)COC(=O)c1cccnc1SCC(=O)Nc1ccc2c(c1)OCO2 9562712 XZLBLFMVMVWIAP-NTCAYCPXSA-N 454.464 2.023 50 10 JEGE CCOc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)COc2cccc(C)c2)cc1 12503123 GQASSNJOTOBNPW-UHFFFAOYSA-N 458.540 2.213 50 10 JEGE C=CCN1C(=O)C(=NNC(=O)[C@@H](CCSC)N2C(=O)c3ccccc3C2=O)c2ccccc21 254751162 GMYPITHXFBDMHU-LJQANCHMSA-N 462.531 2.457 50 10 JEGE CC1(C)CN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@@H]1Br 2000539492 KZCMJWNALNXGAZ-KSSFIOAISA-N 461.353 2.446 50 10 JEGE O=C(OCc1ccccc1)N1C[C@@H](Nc2ncc(Br)cc2B(O)O)C2(CCC2)C1 2231670348 VMNLNUGQRCZDCJ-QGZVFWFLSA-N 460.137 2.127 50 10 JEGE O=C(c1cc(I)ccc1O)N1C[C@@H]2COC[C@]2(CBr)C1 2234578495 GIMJBMFWSFSOIU-OTYXRUKQSA-N 452.086 2.480 50 10 JEGE Cc1sc(C(=O)N(OCc2ccccc2)C2CN(C(=O)OC(C)(C)C)C2)c(B(O)O)c1C 2255525849 KKYPDQZPSHXIJE-UHFFFAOYSA-N 460.361 2.238 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2CC[C@@H](CCl)O[C@H]2C1 2289334601 FPBHXVYHBIODTI-MPGHIAIKSA-N 454.976 2.357 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)N2CCC(Br)CC2)[C@@H]2CC[C@@H]21 2330839058 UDTHEDNZYRFANI-ZNMIVQPWSA-N 452.415 2.468 50 10 JEGE COc1ccc(/C=N/NC(=O)CNC(=O)c2ccc(OC)c(OC)c2)cc1Br 2176384 UQAOKUDZMHRDNE-LSHDLFTRSA-N 450.289 2.355 50 10 JEGE CN1CCN(CN2C(=O)/C(=N/NC(=O)c3ccccc3)c3cc(Br)ccc32)CC1 19362894 KEILZBBSFZSCHS-FCDQGJHFSA-N 456.344 2.135 50 10 JEGE C#C[C@H](NC(=O)NNC(=O)c1sc(N2CCOCC2)nc1C)c1ccc(Cl)cc1F 1230503996 GRRLPHHXSCUJKE-HNNXBMFYSA-N 451.911 2.399 50 10 JEGE O=C(c1csc(I)c1)N1C[C@@H]2OC[C@@H](CBr)O[C@@H]2C1 2265158913 NXEHXBGBHBSAEM-KXUCPTDWSA-N 458.115 2.356 50 10 JEGE Cc1sc(CN(C)C(=O)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)c(B(O)O)c1C 2283963197 NPJCBRFTIHDZHJ-IBGZPJMESA-N 489.447 2.028 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)Nc2ccc(Cl)c(B(O)O)n2)C1 2283985513 JWUMZXOBSLSMBB-HSZRJFAPSA-N 489.765 2.197 50 10 JEGE O=C(COc1ccc(Br)cc1Br)NC(=S)NNC(=O)C1CC1 12571407 IUYFVASXRIUMQL-UHFFFAOYSA-N 451.140 2.022 50 10 JEGE O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 100958716 RVSHGXUNFSJRPQ-MLHZQLSASA-N 456.371 2.166 50 10 JEGE CC(=O)N[C@@](C)(C(=O)NNc1cccc(Br)c1)c1ccc(S(C)(=O)=O)cc1 1566579991 JFCMVEPRSKVRFL-GOSISDBHSA-N 454.346 2.347 50 10 JEGE COc1cc(C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)ccc1[N+](=O)[O-] 1860772031 OTDCBEWQLGBRJE-NSHDSACASA-N 471.495 2.276 50 10 JEGE CN([C@H](CCBr)C(F)(F)F)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 1984140607 UIMHZZDBFSFOKR-GFCCVEGCSA-N 457.268 2.260 50 10 JEGE CC(C)(C)OC(=O)N1CC(N(OCc2ccccc2)C(=O)c2ccc(B(O)O)cc2Cl)C1 2255945526 ZTXJCFCKCIJPMK-UHFFFAOYSA-N 460.723 2.213 50 10 JEGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)N1CCCc2c(B(O)O)cccc21 2284040654 MBANOHHTUUJHSS-LJQANCHMSA-N 468.359 2.146 50 10 JEGE CO[C@@H](CBr)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301110808 JRWVDQZZCGEJMP-AWEZNQCLSA-N 461.378 2.172 50 10 JEGE CC(C)n1cc(/C=N/Nc2nc(SCC(=O)NNC(=O)c3ccc(Cl)cc3)n[nH]2)cn1 20924087 ZROALVQNRULBGH-IFRROFPPSA-N 461.939 2.235 50 10 JEGE C=CCc1cccc(/C=N/NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2N)c1O 58988449 QMKHIHSPPMJOAK-SSDVNMTOSA-N 453.484 2.244 50 10 JEGE CCC[C@@H]1C[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@@H](O)[C@H]3OC(C)(C)O[C@@H]23)N(C)C1 575232289 HCPHMGDEJJICGS-RAVJWDQXSA-N 465.056 2.188 50 10 JEGE in-vitro CC(=O)O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 1083818428 RDLYSPHPIQHWLE-UJWQCDCRSA-N 462.568 2.091 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@](F)(CBr)C1 2000539751 MHKGPGOSCXRPBD-IRXDYDNUSA-N 465.316 2.150 50 10 JEGE Cc1cnc(OC2(CNC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)cc1B(O)O 2231615817 WGWDFPICZCYFST-UHFFFAOYSA-N 455.364 2.008 50 10 JEGE Cc1sc(CN(C)C(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)c(B(O)O)c1C 2268713438 XUWBJDXERZCMSD-SFHVURJKSA-N 476.404 2.113 50 10 JEGE CC(C)(C)OC(=O)N1C[C@@]2(CNS(=O)(=O)N3CCC(Br)CC3)CC[C@H]1C2 2338315769 ODQCPEPQMRXMHN-YOEHRIQHSA-N 452.415 2.470 50 10 JEGE CCOc1ccc(-c2c(C(=O)NN=Cc3ccc(O)c(OCC)c3)nnn2-c2nonc2N)cc1 254593170 QLPIBOHDZDDAEN-UHFFFAOYSA-N 478.469 2.166 50 10 JEGE CO[C@@H]1CC(=O)[C@]23C(=O)N[C@H](CC(C)C)[C@@H]2C(C)=C(C)[C@H](OO)[C@@H]3C=C(C)CC[C@H](O)[C@H]1O 585660691 FCNYTFYALYEECS-FBGHPIJWSA-N 465.587 2.394 50 10 JEGE biogenic CNS(=O)(=O)c1ccccc1N1CCN(C(=O)/C(C#N)=C/c2cc(C)n([C@@H](C)COC)c2C)CC1 727742968 LMNWAWLDOUIXNL-OMNSNBSWSA-N 499.637 2.476 50 10 JEGE CC(=O)N(C)c1ccc(NC(=O)NNC(=O)[C@H](C)Oc2cccc(Br)c2)cn1 1672991531 LXFGRHLNZJBCID-NSHDSACASA-N 450.293 2.447 50 10 JEGE CN(C[C@H]1C[C@@H](Br)C1)C(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1887829540 KUVZDEIOOZBARM-MJBXVCDLSA-N 453.399 2.043 50 10 JEGE Cc1ccc(S(=O)(=O)N2CCN(C=C(C#N)C(=O)N3CCN(c4ccc(F)cc4)CC3)CC2)cc1 2325282198 BQLVQKNRDOONNA-UHFFFAOYSA-N 497.596 2.197 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H]2OC[C@@H](CBr)[C@H]2C1 2330878915 SGILMGCDZGFQLT-ZTFGCOKTSA-N 485.400 2.124 50 10 JEGE C=CCn1nc(C)c(/C=N/NC(=O)CSc2nnc(Cn3nnc4ccccc43)n2CC=C)c1C 59829811 IYYLANNHUCZMRV-ZMOGYAJESA-N 490.597 2.499 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)CI)C(F)(F)CC1 1910136367 RBCCLXGFVLINDR-SECBINFHSA-N 454.277 2.333 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCO[C@H](CCBr)C1 2052685761 BHSKDRDIFKDOSI-OAHLLOKOSA-N 473.389 2.269 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2CC[C@@]2(CBr)C1 2078132878 LMIMQJYKYPDRPP-ZNZDAUKMSA-N 473.364 2.448 50 10 JEGE Cc1cc(B(O)O)c(CNC(=O)[C@@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)s1 2243665048 PLEHQQRHCZTNEI-OAHLLOKOSA-N 464.352 2.280 50 10 JEGE CC(C)(C)OC(=O)N1CC(N(OCc2ccccc2)C(=O)c2cc(B(O)O)c(F)cc2Cl)C1 2270449653 OMQCHGZODZVTML-UHFFFAOYSA-N 478.713 2.352 50 10 JEGE OB(O)c1csnc1CSc1cc(I)ccc1Br 2316470979 XQPOCEFUIWZLDS-UHFFFAOYSA-N 455.933 2.482 50 10 JEGE COc1ccc(C=C(C#N)C(=O)Nc2cccc3c2CN([C@@H]2CCC(=O)NC2=O)C3=O)cc1OC 2329702879 FIIXQRDYOSTEET-LJQANCHMSA-N 474.473 2.010 50 10 JEGE Cn1nc(Br)c(Br)c1C(=O)N[C@H]1CCOC[C@H]1CBr 2338860591 KAKPEYRVNJPKDB-RQJHMYQMSA-N 459.964 2.475 50 10 JEGE CC(C)(C)C(=O)NNC(=O)CSc1n[nH]c(N/N=C/c2cc(Br)ccc2O)n1 20834617 PLULTUFDXCRZJM-CNHKJKLMSA-N 470.353 2.004 50 10 JEGE C[C@H](C(=O)N1CCCCC1)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 101052152 GZTZQEQSWBKTJG-ZIIDRAPCSA-N 462.182 2.165 50 10 JEGE COc1ccc(CCNC(=O)/C(C#N)=C\N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 216927355 NZQIDXAURFDGHJ-UZYVYHOESA-N 468.579 2.076 50 10 JEGE CCOc1ccc(-c2c(C(=O)NN=Cc3ccc(F)cc3F)nnn2-c2nonc2N)cc1 254491106 GCIIHXGDPQSHAZ-UHFFFAOYSA-N 454.397 2.340 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCC(F)(F)[C@@H](CBr)C1 703958213 NEJFOSZZDINFKT-LBPRGKRZSA-N 465.316 2.355 50 10 JEGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CCC2(CCC2)[C@H](CBr)C1 1946322382 OPTAAZPCTMKWPX-CQSZACIVSA-N 455.374 2.500 50 10 JEGE N#CC(=Cc1ccc2c(c1)OCO2)C(=O)OCC(=O)COC(=O)C(C#N)=Cc1ccc2c(c1)OCO2 2040422060 LQABPPCAHLNNIQ-UHFFFAOYSA-N 488.408 2.314 50 10 JEGE C=C[C@]1(CBr)COCCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2079187204 DWAQRBUSIVBTPR-IBGZPJMESA-N 471.373 2.045 50 10 JEGE CN(C[C@H]1C[C@H]1Br)S(=O)(=O)c1ccc(I)c(C(=O)O)c1 2196940930 PHTNRXLKWSOSIT-GMSGAONNSA-N 474.114 2.393 50 10 JEGE CC(C)(C)OC(=O)N1CCN(CCCCCI)[C@H]2CS(=O)(=O)C[C@H]21 2214697468 QHSSHPIGTBSALJ-UONOGXRCSA-N 472.389 2.310 50 10 JEGE Cc1cc(C(=O)NCCCONC(=O)OCC2c3ccccc3-c3ccccc32)c(B(O)O)s1 2247890128 HDWFJYZLMSYYPP-UHFFFAOYSA-N 480.351 2.327 50 10 JEGE COc1cc(C(=O)NNC(=S)NC(=O)COc2ccc(Cl)cc2)cc(OC)c1OC 12502886 WVIFZIVARFKUMM-UHFFFAOYSA-N 453.904 2.080 50 10 JEGE COc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2[N+](=O)[O-])cc1Br 12570340 IXAQESAXPNORFT-UHFFFAOYSA-N 453.274 2.315 50 10 JEGE COC(=O)c1ccc(/C=N/NC(=O)C2=C(C)NC(=S)N[C@H]2c2cccc([N+](=O)[O-])c2)cc1 59384693 IUUSMJMVHNCLFC-QPHXDFOYSA-N 453.480 2.325 50 10 JEGE C[C@@H]1C[C@@H](Br)CN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2000534524 WDTBHXKSAJTHIV-VFVRVIDISA-N 461.353 2.446 50 10 JEGE C[C@@H](NC(=O)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1)c1cscc1B(O)O 2283990533 GGIWZULFWKUOSS-MZNJEOGPSA-N 488.415 2.449 50 10 JEGE CCOc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 13621147 ZAWQBSHGQQTDQP-DHZHZOJOSA-N 459.524 2.460 50 10 JEGE COc1ccc(C(C)=NNC(=O)CSc2nnc(CCc3ccccc3)n2N)cc1OC 1083956755 PWOROMUMWRTFFM-UHFFFAOYSA-N 454.556 2.427 50 10 JEGE O=C(NN=Cc1cccnc1)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 1084309256 VJDQUJYSBBOOIK-UHFFFAOYSA-N 451.346 2.395 50 10 JEGE C=CC(=O)Nc1ccc(C(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1 1566281550 NPXBCQLFTMMCJY-UHFFFAOYSA-N 455.946 2.043 50 10 JEGE CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NNc2ncc(Br)cc2C)c1 1570549895 JMYHELWOLXTDJC-UHFFFAOYSA-N 455.334 2.167 50 10 JEGE CC(=O)N(C)c1ccc(CNC(=O)NNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)cc1 1682801317 GMXZUFBFZRHHQW-UHFFFAOYSA-N 450.499 2.104 50 10 JEGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNS(=O)(=O)c4ccc(F)cc4)c(=O)c23)C1 1860770748 VRYCHESDKHCVHJ-NWDGAFQWSA-N 464.544 2.293 50 10 JEGE COC(=O)c1[nH]c2cc(OC)cc(OC)c2c1/C=N/NC(=O)CCc1nc2ccccc2[nH]c1=O 1873496068 ADQBRFVUXNTLQJ-BRJLIKDPSA-N 477.477 2.291 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NCC(F)(F)CBr 1900071511 YIGYHYJCTCOSMM-UHFFFAOYSA-N 453.305 2.403 50 10 JEGE COC(=O)[C@@H](I)CNC(=O)c1cc(I)ccc1F 2050464641 QRYDTRLVVWTMCC-VIFPVBQESA-N 477.011 2.137 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1C[P@](C)(=O)C[C@@H]1Br 2057715219 SIOMIYLDGVMWRY-SPPRZUHCSA-N 491.344 2.367 50 10 JEGE COC1(CBr)CCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2108228572 AZILHNQYQOMHGX-GOSISDBHSA-N 491.379 2.217 50 10 JEGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2ccc(B(O)O)cc2C1 2256605787 NVFKMONNAVTJGU-QGZVFWFLSA-N 470.334 2.178 50 10 JEGE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)c(B(O)O)c1 2256625890 CWNKVEAOEIALAU-LIRRHRJNSA-N 462.739 2.457 50 10 JEGE O=C(COc1ccc2ccccc2c1)NNC(=S)NC(=O)COc1ccc([N+](=O)[O-])cc1 12572439 VGUXWRWJCDGNAL-UHFFFAOYSA-N 454.464 2.228 50 10 JEGE CCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1 13977319 IHBVJYZBYZMKCF-WUXMJOGZSA-N 456.524 2.401 50 10 JEGE CCOC(=O)c1ccc(OCC(=O)N/N=C(/S)NC(=O)/C=C\c2ccc(OC)c(OC)c2)cc1 33566428 AJYLCZLBPROUDA-SDQBBNPISA-N 487.534 2.406 50 10 JEGE CCOc1cc(/C=N\NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)ccc1OCc1ccc(C)cc1 169924750 GCZWMMNBLZJXQH-MXAYSNPKSA-N 450.495 2.351 50 10 JEGE CCCN(CCC)Cc1c(C(=O)NN=Cc2ccccc2OCC)nnn1-c1nonc1N 254441493 HHVZGRBENMPWCM-UHFFFAOYSA-N 455.523 2.017 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NCCCCCI 703990943 QJYGBYXTYDAWKX-UHFFFAOYSA-N 464.325 2.197 50 10 JEGE COC[C@H](Br)CCNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703993104 JAYDVCGWYQMDND-CYBMUJFWSA-N 461.378 2.028 50 10 JEGE CN(C)c1ccc(C=NNC(=O)Cc2nnc(NC(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])s2)cc1 1084326223 MSBBKRUODKLPLO-UHFFFAOYSA-N 498.481 2.366 50 10 JEGE CC(C)(C)C(=O)NNC(=O)CSc1n[nH]c(NN=Cc2cccc(Br)c2)n1 1084506424 ZVQQMHJNLFCJLY-UHFFFAOYSA-N 454.354 2.299 50 10 JEGE C#Cc1cccc(NC(=S)NNC(=O)[C@H]2CCCN2C(=O)c2ccc(OC)cc2OC)c1 1637294901 DWJBZEVTDMYWKV-LJQANCHMSA-N 452.536 2.308 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCS[C@H](CBr)C1 1936750013 VZTHNHDMKCKCMR-CYBMUJFWSA-N 461.403 2.205 50 10 JEGE CC(C)(C)OC(=O)N1CC(N(CC2CC2)S(=O)(=O)N2CCC(Br)CC2)C1 2106774573 YBNWKERYGALUBB-UHFFFAOYSA-N 452.415 2.422 50 10 JEGE O=C(NC[C@@]12CC[C@H]1CCCN2S(=O)(=O)N1CCC(Br)CC1)C(F)(F)F 2163058883 OMVZMWBWKKFXAH-RISCZKNCSA-N 462.332 2.014 50 10 JEGE C[C@H](c1cscc1B(O)O)N(C)C(=O)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2268613378 SDKIDLQSYUOGHI-AEFFLSMTSA-N 476.404 2.448 50 10 JEGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)C[C@H]1CCS(=O)(=O)C1 2293202144 IRZZRGNODOSQKY-MRXNPFEDSA-N 458.492 2.242 50 10 JEGE COCCNC(=O)Cn1cc(C=C(C#N)C(=O)NC[C@H]2CCCO2)c2cc(Br)ccc21 2313624615 YGRIZWLQWFFEQZ-GOSISDBHSA-N 489.370 2.369 50 10 JEGE Cc1cc(Br)ccc1OCC(=O)NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 12493772 IQWFOYKHWVZXQU-UHFFFAOYSA-N 453.205 2.414 50 10 JEGE O=C(NC(=S)NNC(=O)c1ccccc1Br)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 14018123 VOXLAJXJOQYXGG-UHFFFAOYSA-N 468.245 2.215 50 10 JEGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2Br)cc1 14657318 VTBHQDKMPOVQGP-UHFFFAOYSA-N 452.330 2.424 50 10 JEGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(-c3ccc4c(c3)C(=O)NC4=O)o2)C1=O 101145807 VJUATNNWGUFOCH-WOJGMQOQSA-N 473.441 2.376 50 10 JEGE CCN(CC)c1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2-c2cccc(OC)c2)c(O)c1 254403392 MCNHWMRIZDCJHW-UHFFFAOYSA-N 491.512 2.224 50 10 JEGE CCc1c(C(=O)NN=Cc2ccc(OCc3ccc(F)cc3)c(OC)c2)nnn1-c1nonc1N 254590398 STBUHZYXEMKYAM-UHFFFAOYSA-N 480.460 2.286 50 10 JEGE COc1ccc(C)cc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)NCc2ccco2)cc1 1084315435 MSSIVRSRTXHWBN-UHFFFAOYSA-N 464.478 2.381 50 10 JEGE C#C[C@@H](CO)NC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(OC(F)F)c(OC)c1 1625165254 IOVLNZUSWKALFI-FVLHSZHDSA-N 455.421 2.091 50 10 JEGE CC(C)(C)OC(=O)Nc1ccc(C(=O)NNS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1 1858081842 KRRFMFCDZBHPCV-UHFFFAOYSA-N 488.522 2.310 50 10 JEGE COc1cccc(OCC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1 1860772117 RSJKTRWJOITDEK-KBPBESRZSA-N 470.551 2.379 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H]2C[C@]2(CBr)C1 1906351010 PAHSOWYCNYOGNC-LIRRHRJNSA-N 455.374 2.500 50 10 JEGE CC1(C)CN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)[C@H]1CBr 2000539348 AENOVPVGRPAXKE-KSSFIOAISA-N 461.353 2.446 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@@H]2CCN(S(=O)(=O)N3CCC(Br)CC3)C[C@H]21 2106778208 BCCGAWZZWLDAAW-DZGCQCFKSA-N 452.415 2.422 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@@H](NS(=O)(=O)c2ccc(CBr)cc2)C1 2172898172 BNRPZGBXWQQBBG-HOCLYGCPSA-N 463.394 2.478 50 10 JEGE CC(C)(C)OC(=O)N[C@H]1CN(CCOCCI)CC12CCOCC2 2306798818 IHXCQPFMJCLKRK-AWEZNQCLSA-N 454.349 2.444 50 10 JEGE CCCCOc1cccc(C(=O)NC(=S)NNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)c1 13630271 QAXLOTRCMNTUIX-INIZCTEOSA-N 458.540 2.143 50 10 JEGE COc1cccc(OCC(=O)Oc2ccc(/C=C(\C#N)C(=O)N3CCOCC3)cc2OC)c1 41017823 BLSBPPSXTMIZSF-LDADJPATSA-N 452.463 2.454 50 10 JEGE C=CCN1C(=O)C(=NNC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c2ccccc21 1084501333 KHMATHFJLJFIPV-UHFFFAOYSA-N 466.563 2.449 50 10 JEGE COc1ccc(S(=O)(=O)CCC(=O)N[C@H](CO)C(=O)Nc2ccc(SC#N)cc2)cc1Cl 1866807285 NLSAWSAGSJFSSW-QGZVFWFLSA-N 497.982 2.201 50 10 JEGE CC(C)(C)OC(=O)NC[C@@H]1CN(S(=O)(=O)CI)C[C@H]1C(F)(F)F 1983327927 RNAJZLYKJRJVAU-RKDXNWHRSA-N 472.267 2.344 50 10 JEGE Cc1cc(B(O)O)c(C)cc1NC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2284054299 AIINTMIOTTVHJA-RUZDIDTESA-N 467.375 2.091 50 10 JEGE O=C(O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1O 249922923 VXLADYQBBOPTRE-PIQGMWHKSA-N 459.090 2.373 50 10 JEGE COc1ccc(C(=O)NCC(=O)NN=C2C(=O)N(Cc3ccc4c(c3)OCO4)c3ccccc32)cc1 254606853 FEVQMWOVKFQBOT-UHFFFAOYSA-N 486.484 2.221 50 10 JEGE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NNC(=O)CCC3CCCCC3)CC2)cc1 727482620 YNMBZNCOHNTZEN-UHFFFAOYSA-N 464.588 2.297 50 10 JEGE O=C(COC(=O)C1CCN(c2nc3ccccc3s2)CC1)NNC(=O)[C@H]1COc2ccccc2O1 728341992 DAWQDQOALXAQBT-LJQANCHMSA-N 496.545 2.043 50 10 JEGE CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)NNC(=O)c1nn(C)c(=O)c3ccccc13)O[C@H](C)C2 730516332 FKPWRCLRIYFEMK-XVGQJIODSA-N 462.506 2.220 50 10 JEGE COc1ccc(CNC(=O)C(=O)NN=Cc2ccc(OCC(=O)NC3CCCCC3)cc2)cc1 1083899298 AGSCJRYMMFUTRA-UHFFFAOYSA-N 466.538 2.289 50 10 JEGE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNc3nc4ccncc4s3)CC2)cc1 1631807507 NXTHOGZJESXTBL-UHFFFAOYSA-N 459.553 2.438 50 10 JEGE CN(C[C@@H]1C[C@H]1Br)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O 1892658427 UVIOTBLQWHQLDD-XQQFMLRXSA-N 453.399 2.041 50 10 JEGE COc1ccc(C(=O)NNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1I 12583041 KDKTXUZVMNNJDM-UHFFFAOYSA-N 471.207 2.048 50 10 JEGE COC(=O)[C@@H](Br)CNS(=O)(=O)c1cc(Br)ccc1Br 234590916 FGHOKVDNZRUAMZ-QMMMGPOBSA-N 479.972 2.426 50 10 JEGE CC(C)CCNC(=O)/C(C#N)=C/N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc2c(c1)OCO2 254757470 SAVPTONVMVDEKY-VNGDEMECSA-N 476.580 2.060 50 10 JEGE COC(=O)[C@@H](I)CNC(=O)c1cccc(F)c1I 721651850 RIRSPZGOGSKDFO-QMMMGPOBSA-N 477.011 2.137 50 10 JEGE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1cccc(B(O)O)c1 2257401974 QYVFIGSVVFMCSK-UHFFFAOYSA-N 472.350 2.342 50 10 JEGE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCc2c(B(O)O)cccc21 2283978323 ASURSAOPYUOUBJ-JTSKRJEESA-N 468.359 2.144 50 10 JEGE CN([C@@H]1COC[C@@H]1Br)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316826079 WVLOXTDMLVVKPF-DLBZAZTESA-N 473.389 2.267 50 10 JEGE COc1ccc(C(=O)NNC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Br 12501122 IVLXWXSKEKCFEG-UHFFFAOYSA-N 453.274 2.315 50 10 JEGE CCCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C(\C)Cn2nnc([N+](=O)[O-])n2)cc1 96576558 WGELKDOLXWPNRZ-PPTUTNKPSA-N 492.496 2.333 50 10 JEGE CC1=C(C#N)C(=O)NC(=O)/C1=C/NN1C(=O)c2cccc3c(Br)ccc(c23)C1=O 101458840 SFRLSXRPXXWICI-RIYZIHGNSA-N 451.236 2.083 50 10 JEGE CC(=O)N[C@@H](C(=O)NNC(=O)[C@H](C)Oc1ccccc1F)c1cccc(Br)c1 1521183496 KAYSVVMEQPJTFV-APPDUMDISA-N 452.280 2.380 50 10 JEGE Cc1ccn2cc(C(=O)NNC(=O)[C@H](C)n3cnc4sc5c(c4c3=O)CCCC5)nc2c1 1860772029 OSFSPMOFHUWQET-ZDUSSCGKSA-N 450.524 2.315 50 10 JEGE CC(C)(C)OC(=O)NCC1CCS(=O)(=NS(=O)(=O)N2CCC(Br)CC2)CC1 2163052055 ZAEXGDSBLPFRHE-UHFFFAOYSA-N 488.470 2.493 50 10 JEGE Cn1ncc(C(=O)N[C@H](CBr)CC2CCOCC2)c1I 2195480714 AQAMGJGGDQWVBE-JTQLQIEISA-N 456.122 2.335 50 10 JEGE COc1ccc(CC(=O)NNC(=O)CSc2n[nH]c(C=Cc3ccc(OC)c(OC)c3)n2)cc1 2296650849 VNFIBWRTIMNSBJ-UHFFFAOYSA-N 483.550 2.483 50 10 JEGE Cn1nnc(Br)c1C(=O)NCC(F)(F)C(F)(F)CI 2336537279 VKYKKWUDWSNPJF-UHFFFAOYSA-N 458.979 2.013 50 10 JEGE Cc1nn(Cc2nnn(CC(=O)NN=Cc3ccc(Cl)cc3)n2)c(C)c1Br 254303604 WNGVNBWKMNLLEH-UHFFFAOYSA-N 451.716 2.101 50 10 JEGE COc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CSc2ccccc2)c(OC)c1 263631207 LJYLJILWCRTIIJ-UHFFFAOYSA-N 480.510 2.306 50 10 JEGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)N2CCN(CC(F)(F)F)CC2)cc1 920851587 HUIVGHJYUPLEFN-ATVHPVEESA-N 490.486 2.048 50 10 JEGE C=CCNS(=O)(=O)c1cc(C(=O)NNc2ncccc2C(=O)OC(C)(C)C)ccc1F 1635296909 JJIVAFDTDZDQIN-UHFFFAOYSA-N 450.492 2.397 50 10 JEGE Cc1c(NC(=O)[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)ccc(B(O)O)c1Cl 2256677402 DAVVYERZVWJYPX-GOSISDBHSA-N 462.739 2.377 50 10 JEGE COc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc(C)cc2Br)cc1 12571013 AYVXTLLCPXPTMV-UHFFFAOYSA-N 452.330 2.481 50 10 JEGE COc1ccc(CC(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2)cc1 12572118 VMRCZJLVIMFGFT-UHFFFAOYSA-N 452.330 2.101 50 10 JEGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)c1 33535445 KMSJAUWCODVNQC-FSEPTYSPSA-N 478.530 2.314 50 10 JEGE COc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 33757270 FFMGPSCJXRLRNC-WBILKINKSA-N 494.529 2.014 50 10 JEGE O=C(COc1ccccc1)NNc1ncnc(N2CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-] 40611603 ZNKRDFQPIHKKIZ-UHFFFAOYSA-N 463.498 2.229 50 10 JEGE O=C1C(I)=CC(I)=C/C1=C\NNC(=O)c1ccccn1 137036401 CDXMFTNYRBDGAZ-BQYQJAHWSA-N 493.042 2.420 50 10 JEGE Cc1cc(C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)ccc1N(C)C 1860769895 KRPRKTGKLFFZNY-ZDUSSCGKSA-N 453.568 2.418 50 10 JEGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)CI)C[C@H]1CC(F)F 1974815931 NOCAWBFULYMGOT-SECBINFHSA-N 454.277 2.285 50 10 JEGE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2NS(=O)(=O)N1CCC(Br)CC1 2329595015 VZNPGRBMVFRWEP-VIRABCJISA-N 452.415 2.372 50 10 JEGE CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)COc2ccc(Br)cc2Cl)cc1 13977940 INQDWPGNJLHJEF-UHFFFAOYSA-N 476.736 2.449 50 10 JEGE O=C(COC(=O)/C=C\c1ccccc1[N+](=O)[O-])NNC(=O)COc1ccc(Br)cc1 33504456 UCYYFNWMLXNHOX-YHYXMXQVSA-N 478.255 2.140 50 10 JEGE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NNC(=O)C(C)(C)O)ccc1Cl 1447806259 YLKSDYOUQNWTQF-UHFFFAOYSA-N 451.932 2.253 50 10 JEGE O=C(CNC(=O)c1ccccc1Cl)NNS(=O)(=O)c1ccc(OC2CCCC2)cc1 1857965428 LLOMWYRXWHEMOR-UHFFFAOYSA-N 451.932 2.401 50 10 JEGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)c2ccc3c(c2)C(=O)N(Cc2ccccn2)C3=O)C1 1873777903 WIUUTNAWXSBHEF-GOSISDBHSA-N 484.516 2.268 50 10 JEGE Cc1cc(NC(=O)C2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)ccc1B(O)O 2283957610 QMXHLPGAUYQQRQ-UHFFFAOYSA-N 467.375 2.173 50 10 JEGE Cc1ccc(NC(=O)[C@@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)cc1B(O)O 2284015116 JDAXCMGECUWRDW-VWLOTQADSA-N 468.359 2.457 50 10 JEGE CC(C)C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1Br 13983775 ONBBKJFCQFXHQO-UHFFFAOYSA-N 453.156 2.268 50 10 JEGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccccc2[N+](=O)[O-])c(OC)c1 40879337 HEHHCXSSDLAIII-LFIBNONCSA-N 455.423 2.257 50 10 JEGE C[C@H](Sc1n[nH]c(N/N=C/c2ccc(Br)cc2)n1)C(=O)NNC(=O)C1CCC1 59879214 DNAKKPHGCAWXIC-XPAGJJBOSA-N 466.365 2.441 50 10 JEGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)NN=Cc1cnn(C(C)C)c1 1084332270 ILHFGTQJNNQESX-UHFFFAOYSA-N 464.559 2.277 50 10 JEGE Cc1cccc(N2C(=O)N[C@@H](CCC(=O)NNC(=O)c3ccc(Br)cc3)C2=O)c1 1322565568 ILQAIKHEZAJDRD-INIZCTEOSA-N 459.300 2.424 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(CCBr)CC(F)F 2000541555 IPUMFURKDGAAMH-MRXNPFEDSA-N 471.295 2.303 50 10 JEGE O=S(=O)(N1CCC(Br)CC1)N1CC[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 2185518319 ZTDJGSMSCQKGEL-OALUTQOASA-N 458.422 2.066 50 10 JEGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2cc(B(O)O)ccc21 2248397408 KOOLCBBADSLESJ-MRXNPFEDSA-N 456.307 2.183 50 10 JEGE Cn1ncc(C(=O)N2C[C@@H]3CC[C@@H](CBr)O[C@H]3C2)c1I 2289185854 HFSWXVUWHDJAIO-QXEWZRGKSA-N 454.106 2.039 50 10 JEGE CN(C)C[C@H]1C[C@H](Cl)CN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364215174 RPQJYQUEFHURHQ-DLBZAZTESA-N 456.008 2.416 50 10 JEGE COc1ccc(/C=N/Nc2n[nH]c(SCC(=O)NNC(=O)c3ccc(Cl)cc3)n2)cc1OC 20923219 PRJXNBYLWMSJAZ-LSHDLFTRSA-N 489.945 2.475 50 10 JEGE COC(=O)[C@H](I)CNC(=O)c1ccc(F)cc1I 234597016 SQZCKUHSYANFTK-SECBINFHSA-N 477.011 2.137 50 10 JEGE O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1Cl)c1cc(I)ccc1Br 236036593 NZSOXJZCXJFBIS-VHSXEESVSA-N 478.533 2.188 50 10 JEGE CCCOc1ccc(-c2c(C(=O)NN=Cc3cc(OC)ccc3OC)nnn2-c2nonc2N)cc1 254449112 MGAZUNBMASEWJA-UHFFFAOYSA-N 492.496 2.469 50 10 JEGE CN(C)CCn1cc(NC(=O)/C(C#N)=C\c2cn(CCC(N)=O)nc2-c2ccc(Cl)cc2)cn1 726943563 QAJVCHPWIGEJRK-BOPFTXTBSA-N 480.960 2.383 50 10 JEGE Cn1cc(C(=O)NNS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])c2ccccc21 727749239 UFTQGPMPFVGWSB-UHFFFAOYSA-N 453.274 2.472 50 10 JEGE CC(=O)c1cc(C(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)c(C)nc1C 1635520531 PLGXSPLUFRBVCO-UHFFFAOYSA-N 457.962 2.133 50 10 JEGE Cc1sc2ncn(CC(=O)NNS(=O)(=O)c3ccccc3)c(=O)c2c1-c1ccccc1 1860770724 UPJTZHRKYZOJSC-UHFFFAOYSA-N 454.533 2.443 50 10 JEGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(B(O)O)cc1 2268635836 WETJXZOKVALZSX-LLGFUMIMSA-N 456.348 2.042 50 10 JEGE Nc1c(NNC(=O)c2ccccc2F)ncnc1N1CCN(Cc2ccc3c(c2)OCO3)CC1 40784775 IYNSAXUDUKACAX-UHFFFAOYSA-N 465.489 2.006 50 10 JEGE CCOC(=O)c1sc2ncnc(NNC(=O)[C@@H](C)N3C(=O)c4ccccc4C3=O)c2c1C 96469947 RGJXPPHGCIJBNZ-LLVKDONJSA-N 453.480 2.304 50 10 JEGE CCOc1ccc(-c2c(C(=O)NN=C(C)c3cccc(OC)c3)nnn2-c2nonc2N)cc1 263622340 PFDQNYOVZPWXCJ-UHFFFAOYSA-N 462.470 2.461 50 10 JEGE COc1ccc(C(=O)NN=C2C(=O)N(CN3CCN(C)CC3)c3ccc(Br)cc32)cc1 263632348 FREWCTKWXVVJMM-UHFFFAOYSA-N 486.370 2.143 50 10 JEGE CC(=O)N[C@@](C)(C(=O)NNc1ccccc1Br)c1ccc(S(C)(=O)=O)cc1 1623470064 VNBNNOSMEDJNCG-GOSISDBHSA-N 454.346 2.347 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H]2C[C@H]1[C@H]2CBr 2024033753 AEFLGYDFVUKUDC-COXVUDFISA-N 455.374 2.498 50 10 JEGE C[C@@H](Br)[C@@H]1CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CCO1 2053851835 VANKKZPZQYAVLG-PBHICJAKSA-N 473.389 2.267 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)Nc2ccc(B(O)O)cc2)C1 2124520038 QHPMIVMFPKIFEF-XMMPIXPASA-N 454.332 2.149 50 10 JEGE O=C(NC1(C(=O)N2CCc3ccc(B(O)O)cc3C2)CC1)OCC1c2ccccc2-c2ccccc21 2341624456 XCVQAYJDLYYYMK-UHFFFAOYSA-N 482.345 2.322 50 10 JEGE CCOc1ccccc1C=NNC(=O)CNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 254479369 GKFWYPJPTFOXIQ-UHFFFAOYSA-N 472.567 2.140 50 10 JEGE CC1(C)O[C@@H]2[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@](O)(CO)OC[C@H]2O1 504291234 LYEYVIPMFIHSLX-HXKBJWFLSA-N 458.627 2.163 50 10 JEGE COc1cccc(C=NNc2nc(SCC(=O)NNC(=O)c3ccc(Cl)cc3)n[nH]2)c1O 1084262532 JSUTZLSJLKMGNC-UHFFFAOYSA-N 475.918 2.172 50 10 JEGE Cc1ccc(C(=O)CCC(=O)NNC(=O)CCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(C)c1 1865760371 UQMXWVAURSIPGZ-UHFFFAOYSA-N 480.477 2.398 50 10 JEGE CC(C)(C)OC(=O)N1C[C@H](NC(=O)[C@H](Br)C2CCCC2)[C@H](S(C)(=O)=O)C1 1877659858 PWGBPKFPBUFKCA-BFHYXJOUSA-N 453.399 2.089 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H](F)[C@H](CBr)C1 1907653922 FSMIRRHEXVMXEA-CZUORRHYSA-N 461.353 2.448 50 10 JEGE CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1CNS(=O)(=O)N1CCC(Br)CC1 2106303529 VQDXLFULMVVOOL-AWEZNQCLSA-N 452.415 2.470 50 10 JEGE CC(C)(C)OC(=O)N1C[C@H](CNS(=O)(=O)N2CCC(Br)CC2)OCC1(C)C 2165620021 ATMKYYMXKZNTJQ-AWEZNQCLSA-N 470.430 2.095 50 10 JEGE C[C@@H](NC(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)c1cscc1B(O)O 2256671853 YUJLTGAHTKAGLI-NVXWUHKLSA-N 462.377 2.105 50 10 JEGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2267265994 MQSPHPSCFIMULO-UHFFFAOYSA-N 484.453 2.412 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2CC[C@@H](CCl)O[C@@H]2C1 2289334602 FPBHXVYHBIODTI-RLFYNMQTSA-N 454.976 2.357 50 10 JEGE O=C(NC1(C(=O)NCc2ccc(B(O)O)cc2F)CC1)OCC1c2ccccc2-c2ccccc21 2319284483 LYJUCVQLCLHDEL-UHFFFAOYSA-N 474.297 2.193 50 10 JEGE CC(=NNC(=O)CCC(=O)NN=C(C)c1ccc2c(c1)OCCO2)c1ccc2c(c1)OCCO2 252679680 PXHGHZZDSJDIHV-UHFFFAOYSA-N 466.494 2.390 50 10 JEGE N#C/C(=C/N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(F)cc1)C(=O)NCc1ccco1 254554929 KAUAVNXJOQEGNM-LUJRVORXSA-N 474.539 2.213 50 10 JEGE Cc1ccc(S(=O)(=O)NC(=O)c2cc(C=NNC(=O)c3cccc([N+](=O)[O-])c3)n(C)c2)cc1 254819578 ZYEUBPTZMDHTGY-UHFFFAOYSA-N 469.479 2.124 50 10 JEGE CC(=O)N1CCC[C@H]1C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 751101419 FNHRZORGXRWPIJ-SFHVURJKSA-N 498.483 2.278 50 10 JEGE O=C(Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1)NN=Cc1cccc(O)c1 1083935369 NIRGXLZTMTURLK-UHFFFAOYSA-N 471.411 2.005 50 10 JEGE CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1467953049 LLWQXQZEOHRDNE-ICSRJNTNSA-N 458.559 2.317 50 10 JEGE CC(C)(C)OC(=O)N1C[C@H](OC[C@H]2C[C@H](S(C)(=O)=O)C2)[C@H](I)C1 1905176394 OZDLDCKYPWREIP-LPWJVIDDSA-N 459.346 2.249 50 10 JEGE CCOC[C@H](Br)CNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942090517 WLLSHYHNCCQLKZ-CQSZACIVSA-N 461.378 2.172 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@H]([S@@](C)(=O)=NS(=O)(=O)N2CCC(Br)CC2)C1 2106776415 HPSPQAAAQHFVRD-ZJWNCGCPSA-N 474.443 2.198 50 10 JEGE O=C(c1ccc(I)c(O)c1)N1C[C@H]2COC[C@]2(CBr)C1 2234579921 LKACQJQPHKXWEW-HZMBPMFUSA-N 452.086 2.480 50 10 JEGE CC[C@]1(NC(=O)c2cc(B(O)O)c(Cl)s2)CCCN(C(=O)OCc2ccccc2)C1 2281915010 XWVJUKOTEUWVJN-FQEVSTJZSA-N 450.753 2.393 50 10 JEGE COc1cc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)c(C)c2)cc(OC)c1OC 10038218 NSODCXKVSYDAQZ-UHFFFAOYSA-N 467.931 2.389 50 10 JEGE Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)NNc3ccc(F)c(F)c3F)CC2)c1 110787421 BGAWBGMPUKZOPU-UHFFFAOYSA-N 498.527 2.477 50 10 JEGE COC(=O)c1ccc(C=NNC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(N(C)C)cc2)cc1 1084471153 FTXXXOQIIRJKHU-FQEVSTJZSA-N 451.552 2.482 50 10 JEGE Cc1c(C(=O)NCCCN2CCOCC2)oc2c1C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772746657 ZCUPEQMJSZJCSR-UHFFFAOYSA-N 483.525 2.419 50 10 JEGE Cc1nc(S(=O)(=O)N2C[C@@H](Br)[C@H](Br)C2)c(Br)n1C 2075314108 QJFCBAGLJZCSRA-RNFRBKRXSA-N 465.993 2.022 50 10 JEGE COCCNC(=O)Cn1cc(C=C(C#N)C(=O)NCc2ccc3c(c2)OCO3)c2ccccc21 2297552141 MAJLTNSQERUDEJ-UHFFFAOYSA-N 460.490 2.356 50 10 JEGE O=C(CSc1nnc(Cn2nnc3ccccc32)n1-c1ccccc1)NNC(=O)C1CCC1 59878239 AZDOCYPVXOWIFG-UHFFFAOYSA-N 462.539 2.100 50 10 JEGE Cc1cccc(/C=C2/SC(=O)N(CCC(=O)NNC(=O)[C@@H]3COc4ccccc4O3)C2=O)c1 96543688 XZZGUOOGSOXSNE-LPGQDOADSA-N 467.503 2.409 50 10 JEGE COc1cc(C=NNC(=O)Cn2ccc(C(F)(F)F)n2)ccc1OCC(=O)N1C[C@H](C)O[C@@H](C)C1 254385962 FLHBUPRDKMSRAL-GJZGRUSLSA-N 497.474 2.075 50 10 JEGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNS(=O)(=O)CCOCCCl)C1 2025231227 CVXWOYKQSPLRGV-LJQANCHMSA-N 476.039 2.283 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@@H](CNS(=O)(=O)N2CCC(Br)CC2)C12CC2 2108029380 KKUZYQQCVBECQK-ZDUSSCGKSA-N 452.415 2.470 50 10 JEGE COc1ccccc1C=CC=NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 2293749567 KJDIREQAXSHEFW-UHFFFAOYSA-N 456.568 2.125 50 10 JEGE NNC(=O)Oc1c(I)cc(I)c2cccnc12 196340288 URZGGBDVHQOXFD-UHFFFAOYSA-N 454.993 2.406 50 10 JEGE C=C[C@@H]1OCC[C@H]1NC(=O)NNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 1635344149 JZKFEPYVZLQEQO-RTWAWAEBSA-N 472.567 2.103 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N[C@H](CBr)c1cscn1 1982719418 NCURFHUFFBOFLS-CYBMUJFWSA-N 458.359 2.185 50 10 JEGE Cc1nc(I)c(I)n1Cc1cc(C(=O)NN)cs1 2028587602 FKXYHGTVZJZLSO-UHFFFAOYSA-N 488.092 2.114 50 10 JEGE O=C(NCC(=O)N1CCCc2c(B(O)O)cccc21)OCC1c2ccccc2-c2ccccc21 2248400991 DNHAIXIDHSBKJN-UHFFFAOYSA-N 456.307 2.184 50 10 JEGE COC(=O)c1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)CC(C)C)cc2)cc1 10455853 GGDMFENPNRQDPA-UHFFFAOYSA-N 456.524 2.407 50 10 JEGE O=C(CCC(=O)Nc1ccccc1)NNC(=S)NC(=O)c1ccccc1I 12501569 JTJVRBBBDHSBLF-UHFFFAOYSA-N 496.330 2.346 50 10 JEGE Cc1cc(OCC(=O)NNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)ccc1Br 13623043 NBJRBPHVCQRHKP-MRXNPFEDSA-N 460.328 2.332 50 10 JEGE COC(=O)c1cc(Nc2ncnc(NNC(=O)c3ccc(C)cc3)c2N)cc(C(=O)OC)c1 40705796 HFYHOVXYPWLARU-UHFFFAOYSA-N 450.455 2.441 50 10 JEGE COc1ccc(C(=O)NN=C2C(=O)N(CCN3C(=O)c4ccccc4C3=O)c3ccccc32)cc1 1084063543 WBYCISHJFHYRTQ-UHFFFAOYSA-N 468.469 2.472 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2C[C@]2(CBr)C1 1942489937 RHRPMCKNUUOIMH-YJYMSZOUSA-N 455.374 2.355 50 10 JEGE COC(=O)[C@H](I)CNC(=O)c1ccc(I)c(C)c1 2086031767 ZMDUDRLJWXWEDQ-SNVBAGLBSA-N 473.048 2.306 50 10 JEGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1cccc(B(O)O)c1 2268634792 KMWHJUKFHXIMFF-LLGFUMIMSA-N 456.348 2.042 50 10 JEGE Cc1cc(B(O)O)c(CNC(=O)[C@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)s1 2283985638 LSLSEWNBEMFFKT-XMMPIXPASA-N 488.415 2.197 50 10 JEGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1cccc(B(O)O)c1 2317597419 SSZJCZLGCBFXKX-VWLOTQADSA-N 472.350 2.342 50 10 JEGE Cn1c(CC(=O)NNC(=O)/C=C\c2ccc(S(=O)(=O)NCc3ccco3)cc2)nc2ccccc21 34675300 QNDGGKQOAAUFLR-RAXLEYEMSA-N 493.545 2.048 50 10 JEGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\NCc1ccc(S(N)(=O)=O)cc1 217253953 XSVNNKMCYLKBOO-KAMYIIQDSA-N 496.330 2.383 50 10 JEGE N#CSc1ccc(NC(=O)[C@H](CO)NC(=O)CCS(=O)(=O)c2cccc(Cl)c2)cc1 1866887804 XLNNIAKPEBKELT-KRWDZBQOSA-N 467.956 2.193 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1COC2(CCC2)[C@@H]1Br 2141559553 VPZFDRWAIQGPBQ-HZPDHXFCSA-N 485.400 2.313 50 10 JEGE C[C@@H](c1cc(B(O)O)cs1)N(C)C(=O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2256671542 UBEHUUMIUZRNAR-YJBOKZPZSA-N 462.377 2.057 50 10 JEGE CCc1cc(B(O)O)ccc1NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2268653369 LZQKQDLCPHFRNM-IIBYNOLFSA-N 456.348 2.366 50 10 JEGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)COc2ccc(OC)cc2)c(Br)c1 13978859 RXTBZAPYLCHXRK-UHFFFAOYSA-N 496.383 2.500 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CBr)CC1CC1 2000541272 IAKQJBSRDKHJAL-SCLBCKFNSA-N 461.353 2.494 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2C[C@H]1C[C@@H]2Br 2004621075 DJRZOHVQJHXIST-SJECXTJVSA-N 459.337 2.198 50 10 JEGE CC(C)(C)OC(=O)N1CCN(c2cccnc2NS(=O)(=O)CI)CC1 2085333930 MBYRTXNCUWQYMA-UHFFFAOYSA-N 482.344 2.273 50 10 JEGE COc1ccccc1OCC(=O)NNC(=S)NC(=O)COc1ccc(Br)cc1C 13976320 SOWGWEZMOOIHFA-UHFFFAOYSA-N 482.356 2.246 50 10 JEGE CCOc1cc(/C=N\NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)ccc1OCc1ccccc1F 169924748 JKAIHTINYBZMJP-ROTLSHHCSA-N 454.458 2.181 50 10 JEGE COc1ccc(N(CC(=O)NN=Cc2ccncc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 1084485181 LIRFEDQJMGGGOZ-UHFFFAOYSA-N 499.505 2.353 50 10 JEGE O=C(OCc1ccccc1)N1CCOC[C@H](NS(=O)(=O)CCC(CCl)CCl)C1 2044259448 IRFRCSNKKILLRR-QGZVFWFLSA-N 453.388 2.427 50 10 JEGE CN1CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)[C@@H](CCBr)C1 2138078760 VVTMIYSPONRLJX-INIZCTEOSA-N 486.432 2.184 50 10 JEGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)/C=C/c2ccccc2OC)cc1 14022020 DBPGPWILYZVGGU-JLHYYAGUSA-N 471.535 2.376 50 10 JEGE Cc1nc(I)c(I)n1C[C@H](O)CBr 725538322 CDPREHWVTGORHQ-RXMQYKEDSA-N 470.874 2.157 50 10 JEGE O=C(NNC(=O)C1CCN(c2nc3ccccc3s2)CC1)C1CCN(c2ncccn2)CC1 728844827 CEXZDJKSSOLROI-UHFFFAOYSA-N 465.583 2.367 50 10 JEGE COc1cc(C=NNC(=O)CN2CCOCC2)cc(Cl)c1OCc1ccc2c(c1)OCO2 1083918764 VYLVEMYVAPZXIA-UHFFFAOYSA-N 461.902 2.439 50 10 JEGE COc1ccccc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)NCc2ccco2)cc1 1084490302 QDFFZQMIZNWOBP-UHFFFAOYSA-N 450.451 2.072 50 10 JEGE O=C(Cc1ccncc1)NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 1858960249 NYZSKHXVPYZWSI-UHFFFAOYSA-N 488.453 2.465 50 10 JEGE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)N1CCC(Br)CC1)C2 2106776321 GRZMUSLDTBEJEM-CFVMTHIKSA-N 452.415 2.468 50 10 JEGE C[C@@H]1CN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@@H](CCBr)O1 2122787401 DIZJCUVKGOSBDE-PJIJBLCYSA-N 491.379 2.215 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Cl)C2(CCOCC2)C1 2174370243 CKNSYEMKFCCUFQ-LPHOPBHVSA-N 458.939 2.060 50 10 JEGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1csc(B(O)O)c1 2243685416 UJUCVELYZVXEIL-HNNXBMFYSA-N 464.352 2.314 50 10 JEGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 2296720293 KMSJAUWCODVNQC-GOSISDBHSA-N 478.530 2.314 50 10 JEGE O=C(CSc1n[nH]c(N/N=C/c2cccc(Br)c2)n1)NNC(=O)C1CCC1 59878465 FBRYMLBPWNOGHX-QGMBQPNBSA-N 452.338 2.053 50 10 JEGE N#CCCn1cc(/C=C(/C#N)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)c(-c2ccccc2)n1 920426355 FYNGAUBNDURSCP-JXAXNMIRSA-N 458.522 2.221 50 10 JEGE C=C[C@@H]1OCC[C@H]1CNC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(OC)cc2)c1 1312896645 LXODJEFDIDLYKL-JXFKEZNVSA-N 474.539 2.031 50 10 JEGE C[C@H](Br)[C@H]1CCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2000545946 WGUKALXJZDPPCN-LXIYXOSZSA-N 461.353 2.446 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@@H]2CC[C@H](C1)C2Br 2002468545 KGCWGRCCRLCNFM-VMZNBEPHSA-N 455.374 2.498 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC2(C1)OCCC[C@@H]2Br 2041670692 YTAQCNPECSLDJH-INIZCTEOSA-N 471.373 2.021 50 10 JEGE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@]2(CNS(=O)(=O)N2CCC(Br)CC2)C1 2136065056 LBUIJNQLNVCOII-SUMWQHHRSA-N 452.415 2.327 50 10 JEGE O=C(O)COc1ccc(C=NNC(=O)C(=O)Nc2ccccc2C(=O)Nc2ccccc2)cc1 254796628 AYXNNMJGETXKDM-UHFFFAOYSA-N 460.446 2.491 50 10 JEGE CCOc1ccc(C(C)=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCCC[C@H]2C)cc1 254818888 LYBCYQWNMPPMCS-CQSZACIVSA-N 467.534 2.160 50 10 JEGE O=C(NNC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1)c1cccc(OC(F)F)c1 728485339 WQJCJNSVQYWLCJ-CQSZACIVSA-N 459.496 2.354 50 10 JEGE CC(=O)N1CCc2cc(Br)c(S(=O)(=O)NNC(=O)c3cc(C)oc3C)cc21 917717378 QEHVZYPURSRZFD-UHFFFAOYSA-N 456.318 2.191 50 10 JEGE O=C(O)c1cc(S(=O)(=O)NC[C@H]2C[C@H]2Br)ccc1I 1887792827 DSACPIFKBOEXCM-HZGVNTEJSA-N 460.087 2.051 50 10 JEGE CC(C)(C)OC(=O)NC[C@H]1CC[S@](=O)(=NS(=O)(=O)N2CCC(Br)CC2)C1 2106776168 FJQAEVRMCOIKRW-XELLLNAOSA-N 474.443 2.103 50 10 JEGE CC(C)(C)OC(=O)N1CC(CCO)(CNS(=O)(=O)c2ccc(CBr)cc2)C1 2175820311 AIFPOENBDJMUOS-UHFFFAOYSA-N 463.394 2.479 50 10 JEGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CC[C@@H]2[C@@H](Br)CCC[C@@H]2C1 2213405493 NKAZVQBKIGGMMA-KEYYUXOJSA-N 455.374 2.498 50 10 JEGE Cc1cc(B(O)O)sc1CN(C)C(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2268633560 DAQOUMDVRWTLBP-OXJNMPFZSA-N 476.404 2.193 50 10 JEGE CN(C[C@]1(Oc2cc(B(O)O)ccn2)CCCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C 2270915288 VKLVWUQVVSNEHG-XMMPIXPASA-N 455.364 2.042 50 10 JEGE CN(C)c1ccc(N2C(=NC=C(C#N)C(=O)NCc3ccco3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 2296590785 YKPRLWIICIYNIW-WOJBJXKFSA-N 485.591 2.144 50 10 JEGE O=S(=O)(NCC(F)(F)C(F)(F)CI)N1CC(OCc2ccccc2)C1 2314946547 RNJZQEOQGLIXEW-UHFFFAOYSA-N 496.264 2.427 50 10 JEGE COCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccccc1I 14660501 GLCQNTWFYYLBQN-UHFFFAOYSA-N 499.330 2.266 50 10 JEGE COC(=O)c1ccc(/C=N/NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(N(C)C)cc2)cc1 59384732 FTXXXOQIIRJKHU-FINLKQIMSA-N 451.552 2.482 50 10 JEGE COC(=O)[C@H](I)CNS(=O)(=O)c1cc(Cl)c(Br)s1 300084213 GXZYHCBZRKFRSF-RXMQYKEDSA-N 488.550 2.419 50 10 JEGE CN(CCc1ccccn1)C(=O)CNC(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1 727607658 IBKLCQUXVXQXAS-UHFFFAOYSA-N 479.512 2.445 50 10 JEGE CC(C)(C)C(=O)NNC(=O)CSc1n[nH]c(NN=Cc2cc(Br)ccc2O)n1 1083964246 PLULTUFDXCRZJM-UHFFFAOYSA-N 470.353 2.004 50 10 JEGE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 1444420604 WZBFRMHIINYYDO-MRXNPFEDSA-N 452.552 2.088 50 10 JEGE CN(C(=O)OC(C)(C)C)[C@@H](CCOc1ncc(Br)cc1B(O)O)C(F)(F)F 2240286347 BAKDKIGSMTYJFC-NSHDSACASA-N 457.052 2.091 50 10 JEGE COc1c(O)ccc(C=NNC(=O)C(=CC2=S=CC=C2)NC(=O)c2ccccc2)c1[N+](=O)[O-] 2296473046 UXMZFPDGVQQYHE-UHFFFAOYSA-N 466.475 2.351 50 10 JEGE CCOc1cc(C=C(C#N)c2nn(CCO)c(N)c2C#N)cc(I)c1OC 2296737803 UNYVDPCAHQRPQZ-UHFFFAOYSA-N 479.278 2.405 50 10 JEGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CCC[C@@H](Br)[C@@H]1C(F)(F)F 2303942235 RSRBGOQMYNPBBL-CHWSQXEVSA-N 469.279 2.403 50 10 JEGE CN(C)C[C@@H]1C[C@H](Cl)CN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364215176 RPQJYQUEFHURHQ-IRXDYDNUSA-N 456.008 2.416 50 10 JEGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)Cc2ccc(OC)cc2)cc1Br 14662112 DAGYCOKAXJARNY-UHFFFAOYSA-N 496.383 2.361 50 10 JEGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)NCCN4CCOCC4)c(C)c32)cc1 40813777 IORNTUAYCIGJMF-LGUFXXKBSA-N 454.527 2.129 50 10 JEGE COc1cc([N+](=O)[O-])cc(C=NNC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2C)c1O 263627087 MWCJNYPQJQALHO-UHFFFAOYSA-N 487.454 2.255 50 10 JEGE C=CC(=O)Nc1cccc(C(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)c1 1149650029 VOLGGTUQNJZMJY-UHFFFAOYSA-N 455.946 2.043 50 10 JEGE COC(=O)C1CCN(c2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2N)CC1 40795572 BMSRLKOJMOBVQZ-UHFFFAOYSA-N 469.329 2.277 50 10 JEGE COc1cccc(-c2ccc(C(=O)NNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)c(C)n2)c1 1865759018 ZCGZWGHLGKCOAX-UHFFFAOYSA-N 468.535 2.391 50 10 JEGE O=C1CN(C(=O)c2cccc(F)c2I)CCN1CCBr 2171074061 HXGRNAJYRSAAOC-UHFFFAOYSA-N 455.065 2.110 50 10 JEGE Cc1csc(CNC(=O)[C@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)c1B(O)O 2243679165 TYUBIVKPBPWEJU-HNNXBMFYSA-N 464.352 2.280 50 10 JEGE CCN(C=C(C#N)C(=O)Nc1ccc(I)cc1C)[C@@H]1CCS(=O)(=O)C1 2325406513 WGIIIVDHFMJMRC-OAHLLOKOSA-N 473.336 2.455 50 10 JEGE COc1ncc(Br)c(C)c1CO[C@@H]1CS(=O)(=O)C[C@H]1I 2368209729 JPDGVAKEZVTHKH-GHMZBOCLSA-N 476.130 2.278 50 10 JEGE CC1(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)C[C@]2(C)C[C@](C)(C1)C(=O)NC2=O 35552886 MYCLKXDHMBGVCH-YOFSQIOKSA-N 456.326 2.379 50 10 JEGE CSc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN(C)C2CCCCC2)cc1 254343132 ZOLXYTNNEYQDIO-UHFFFAOYSA-N 469.575 2.483 50 10 JEGE O=C(Cc1ccccc1[N+](=O)[O-])NNC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O 1860771177 MHSADYXYDJWHKP-UHFFFAOYSA-N 463.475 2.423 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CBr)C[C@H]1CCOC1 1883275378 SNOKSIOBTWUUIZ-TYILLQQXSA-N 491.379 2.120 50 10 JEGE Cn1ncc(C(=O)N2CCO[C@@H]3C[C@@H](CBr)C[C@@H]32)c1I 2199763415 UYDWDBJYFKHFRW-INTQDDNPSA-N 454.106 2.039 50 10 JEGE CN1CCN(C(=O)c2c(Br)c(Br)nn2C)[C@H](CCBr)C1 2364016413 YNVNTIHHCXXZPG-MRVPVSSYSA-N 473.007 2.486 50 10 JEGE Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1/C(=N\NC(N)=S)CC(C)(C)C2 101110012 CHKGLJNZRZZEEX-XKZIYDEJSA-N 458.500 2.081 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@]1(CBr)CCCOC1 700892313 HNLLMCTUQYRCHM-FQEVSTJZSA-N 487.416 2.420 50 10 JEGE COc1cc(/C=N/NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc([N+](=O)[O-])c1O 1860773238 SZOSACSBNFDXKK-BSPLCJJJSA-N 471.495 2.356 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H](F)[C@@H](CBr)C1 2008014327 FSMIRRHEXVMXEA-XJKSGUPXSA-N 461.353 2.448 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC2(CC(CBr)C2)C1 2013608911 MZEKGIFZWMIESG-UHFFFAOYSA-N 455.374 2.500 50 10 JEGE CO[C@@H]1C[C@H](NS(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C[C@H]1Br 2067192354 NIEHMADQLYXOSH-DAXOMENPSA-N 473.389 2.169 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCO[C@@H]2C[C@H](CBr)C[C@H]21 2135049153 RRGTUJPHWHPUBD-ZTFGCOKTSA-N 485.400 2.267 50 10 JEGE CC(C)(C)OC(=O)N[C@@]1(C(=O)Nc2ccc(Cl)c(B(O)O)c2)CCN(Cc2ccccc2)C1 2268717846 MXKGGDHXHXDZHY-QHCPKHFHSA-N 473.766 2.128 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)Nc2ccc(B(O)O)c(F)c2)C1 2283982994 FFNSAJDQZWGJES-DEOSSOPVSA-N 472.322 2.288 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1CCC[C@@H]1CBr 2000539411 AKASPBQPXZPZQL-MRAWALMUSA-N 461.353 2.494 50 10 JEGE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)[C@H](Br)C2CCCC2)C1 2167047744 KZLGQWHQZURDLG-LSDHHAIUSA-N 467.426 2.481 50 10 JEGE CC(C)(C)OC(=O)NC1(C(=O)Nc2ccc(F)cc2B(O)O)CCN(Cc2ccccc2)CC1 2283958300 XWERFXLHEGCZLA-UHFFFAOYSA-N 471.338 2.004 50 10 JEGE C[C@@H](c1cscc1B(O)O)N(C)C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2284060460 NQYYYJBGFYAEFZ-BXKMTCNYSA-N 487.431 2.117 50 10 JEGE Cc1ccccc1Oc1nc2c(C)cccn2c(=O)c1C=C(C#N)C(=O)N[C@@H]1CCS(=O)(=O)C1 2296720902 SAGWAHPXEXDVSY-GOSISDBHSA-N 478.530 2.314 50 10 JEGE CCCOc1cccc(C(=O)NC(=S)NNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 13623547 VYBHWHREVYUUMB-SFHVURJKSA-N 454.552 2.160 50 10 JEGE Cc1cc(C)c2c(c1)=C(NNC(=O)/C(=C/C=C\c1ccccc1)NC(=O)c1ccccc1)C(=O)N=2 38169823 CNCLRYNSLHIXMZ-GXDFGCTRSA-N 464.525 2.220 50 10 JEGE COc1ccc(CCNC(=O)/C(C#N)=C\N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1OC 216794696 HEKQYMKFJHSVNK-UZYVYHOESA-N 498.605 2.085 50 10 JEGE CC(C)NC(=O)NNC(=O)c1cc(I)ccc1I 727674897 HBDZWZLYSHAZDL-UHFFFAOYSA-N 473.052 2.248 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC(CBr)CC1 2000532296 INKJOCHBZUOZRR-GOSISDBHSA-N 461.353 2.448 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@](C)(CBr)C(F)F 2000534265 UXWJLMQRIGYRME-HOTGVXAUSA-N 471.295 2.349 50 10 JEGE C[C@@H]1[C@@H](CBr)CCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000538691 IJBGNUORMDNEPJ-VFVRVIDISA-N 461.353 2.446 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@H](CBr)OC2(CCC2)C1 2047089969 BIRSFWVZXCTUGE-AWEZNQCLSA-N 471.373 2.021 50 10 JEGE O=C(CNC(=O)OCC1c2ccccc2-c2ccccc21)Nc1ccc(B(O)O)c(F)c1F 2243679581 ZXRBXTRNAQCLAU-UHFFFAOYSA-N 452.222 2.122 50 10 JEGE Cn1nnc(Br)c1S(=O)(=O)N[C@H](CCBr)COCc1ccccc1 2303537496 GGRXGLZFZGRVFH-GFCCVEGCSA-N 482.198 2.226 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1C[C@H](CBr)[C@H]2C[C@H]21 2309229154 QCVLMFOOXDLKLE-DANYHQEZSA-N 473.364 2.350 50 10 JEGE COc1ccc(/C=N/NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(O)c(OC)c2)c(OC)c1 35166976 HTFAKTICUWWEFQ-BLXMRYOQSA-N 456.524 2.361 50 10 JEGE COc1ccc([C@H](C)NC(=O)/C(C#N)=C\N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 217182263 CXQAVPQGNZKOLX-CIJMEZBMSA-N 454.552 2.286 50 10 JEGE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNc3c(F)cccc3Cl)c2)CC1 1538985414 ALCTVUMCZMPHDV-UHFFFAOYSA-N 454.911 2.089 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H](Br)CBr 1961813215 BSKKXKBGXWVSJS-LLVKDONJSA-N 496.221 2.387 50 10 JEGE C[C@@H]1CO[C@@H](CBr)CN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2029232427 INKIIKNEUWIVJD-CABCVRRESA-N 473.389 2.267 50 10 JEGE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ncc(B(O)O)cc1F 2248893703 GCGHTFWJMZWLIN-UHFFFAOYSA-N 463.274 2.156 50 10 JEGE CC(C)(C)OC(=O)N1CC(N(OCc2ccccc2)C(=O)c2cc(B(O)O)ccc2Cl)C1 2255746578 VIMOTVHYOKUJJE-UHFFFAOYSA-N 460.723 2.213 50 10 JEGE CCOC(=O)c1cc(-c2ccc(F)cc2)n(CC(=O)N[C@H]2CS(=O)(=O)C[C@@H]2Cl)c1C 2929805 YQFGVGHOOLGCAV-IRXDYDNUSA-N 456.923 2.300 50 10 JEGE O=C(NNC(=S)NC(=O)c1ccccc1I)c1cccc([N+](=O)[O-])c1 12501521 HZQUMCQHCGDSGV-UHFFFAOYSA-N 470.248 2.149 50 10 JEGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)N[C@@H]3CCS(=O)(=O)C3)c(Oc3ccc(F)cc3)nc12 33368822 ANTLQBMMFPNGQF-JBXOJTMHSA-N 482.493 2.145 50 10 JEGE COc1ccc(N2NOC(=O)/C2=C(/O)N=C2[S+]=C3CN(C(=O)OC(C)(C)C)CCC3=C2C#N)cc1 585673275 CAPPATRABMKANY-UHFFFAOYSA-O 498.541 2.333 50 10 JEGE C#Cc1cccc(NC(=S)NNC(=O)[C@H](CCCC)NC(=O)[C@@H](C)NC(=O)C(C)(C)C)c1 1176937840 WTTMVDPBOBQHQD-QAPCUYQASA-N 459.616 2.211 50 10 JEGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)C[C@H]2CCS(=O)(=O)C2)cc1 1866578725 OCVOAIWUYGSMSD-OXQOHEQNSA-N 473.576 2.456 50 10 JEGE C[C@@]12CN(S(=O)(=O)C[C@](C)(F)CN3C(=O)c4ccccc4C3=O)C[C@]1(CBr)C2 2309059581 SPEYSROXQYEOIJ-GUDVDZBRSA-N 473.364 2.448 50 10 JEGE N#CC(=CNC(=O)C1CCNCC1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324608309 LMHABNBPNRGDJN-UHFFFAOYSA-N 457.578 2.443 50 10 JEGE O=C(NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1Br 13623416 TVFGFAHVKYNAFP-AWEZNQCLSA-N 475.368 2.133 50 10 JEGE CN1CCC(N(C)c2ncnc(NNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2[N+](=O)[O-])CC1 40658681 KJHQAAHJRUCZIA-UHFFFAOYSA-N 464.870 2.234 50 10 JEGE O=C(CNS(=O)(=O)c1ccccc1)NN=Cc1ccc(N(CCCl)CCCl)cc1 252632669 VWHHOQMXSXLIBZ-UHFFFAOYSA-N 457.383 2.399 50 10 JEGE CN(C)Cc1c(C(=O)NN=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)nnn1-c1nonc1N 254870542 YNJXZINHPHOZAX-UHFFFAOYSA-N 483.577 2.359 50 10 JEGE CC(=NNC(=O)c1cc(Br)cn1C)c1ccc(S(=O)(=O)NCCCC(=O)O)cc1 767325633 CVNUDKMMMNKQMP-UHFFFAOYSA-N 485.360 2.085 50 10 JEGE CC(C)(C)OC(=O)N1CCC[C@@]12CC[S@@](=O)(=NS(=O)(=O)CI)C2 1983327071 IENNRJLARWDXSA-XMHCIUCPSA-N 478.374 2.350 50 10 JEGE O=S(=O)(c1cc(CBr)ccn1)N1C[C@H]2[C@@H](C1)OCCN2Cc1ccccc1 2179813944 XGMVKJIADLIUEX-ZWKOTPCHSA-N 452.374 2.250 50 10 JEGE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)N2CCC(Br)CC2)C2(CCC2)C1 2264443509 YWMGGCSDOJZUSP-AWEZNQCLSA-N 452.415 2.470 50 10 JEGE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCc2cccc(B(O)O)c21 2283978316 AQMNZVFTXKWEGT-UWJYYQICSA-N 468.359 2.144 50 10 JEGE O=S(=O)(CCBr)CCNS(=O)(=O)c1cc(Cl)c(Br)s1 2335768063 UVJADEALINFWPZ-UHFFFAOYSA-N 475.633 2.252 50 10 JEGE O=C(CCC(=O)NNC(=O)c1cccc(I)c1)NCc1ccccc1 100449488 UZFHXMMBPRNLLC-UHFFFAOYSA-N 451.264 2.149 50 10 JEGE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NN=Cc2c(O)ccc3ccccc23)cc1 254762106 FSDCHXWHKOJNGG-UHFFFAOYSA-N 454.508 2.275 50 10 JEGE CC(=NNC(=O)[C@@H]1Cc2ccccc2O1)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)O)cc1 748140457 GDHZQUUOVSRCNY-FPOVZHCZSA-N 471.535 2.158 50 10 JEGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccc(Cl)cc2)cc1)NC[C@@H]1CCCO1 1084067783 URBBXGHXQHERGJ-IBGZPJMESA-N 458.902 2.103 50 10 JEGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(Cc3ccc(Cl)cc3)C2)C1 1872963156 ZLJCAEOYYJNANR-QZTJIDSGSA-N 455.946 2.465 50 10 JEGE O=C(CCCNC(=O)OCC1c2ccccc2-c2ccccc21)NCCc1c(F)cccc1B(O)O 2273935551 GJCWSABWFVIAMK-UHFFFAOYSA-N 490.340 2.483 50 10 JEGE CC(C)(C)OC(=O)N[C@H](CCOc1ncc(Br)cc1B(O)O)COCc1ccccc1 2303610987 OXSAXBHHZBTWIL-QGZVFWFLSA-N 495.179 2.403 50 10 JEGE COC(=O)c1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Cl)cc1 10455676 WLYBUZGNCJVHIM-UHFFFAOYSA-N 456.307 2.495 50 10 JEGE COc1ccc2c(c1)CCCC2=NNC(=O)c1nnn(-c2nonc2N)c1-c1cccc([N+](=O)[O-])c1 252630909 VFRXEUACTNRMSE-UHFFFAOYSA-N 489.452 2.287 50 10 JEGE CC(C)C(=O)NNC(=O)[C@H](C)Sc1n[nH]c(NN=Cc2cc(Br)ccc2O)n1 1083958905 PKIHUMMBIUZRJO-VIFPVBQESA-N 470.353 2.003 50 10 JEGE COc1ccc(O)c(C=NNC(=O)CSc2nnc(-c3ccc(Br)cc3)n2N)c1 1084338428 IMSOMFLTGNUCLZ-UHFFFAOYSA-N 477.344 2.378 50 10 JEGE C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NNC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 1293349587 CPQZQOMYIWGRGP-HNNXBMFYSA-N 457.531 2.232 50 10 JEGE Cc1c(C(=O)NNC(=O)COc2ccccc2)oc2c1C(=NNC(=O)c1ccco1)CCC2 1772746552 DENQAQYZFCAHKD-UHFFFAOYSA-N 450.451 2.491 50 10 JEGE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)CI)C[C@@H]1C(F)(F)F 1910106313 HXJFXOGIRIDEIY-JGVFFNPUSA-N 458.240 2.096 50 10 JEGE CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1ccc(OC(F)(F)F)cc1 102675939 CWBKGVPYPPBCEI-WFSQQTBHSA-N 455.414 2.277 50 10 JEGE CC(=O)O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 616590431 RDLYSPHPIQHWLE-MTHXSQLBSA-N 462.568 2.091 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N(CCBr)CC(F)(F)F 703969856 MKHCRYGEUAYLCW-UHFFFAOYSA-N 457.268 2.262 50 10 JEGE CC(=NNC(=O)c1scnc1C)c1ccc(S(=O)(=O)N2CCC(C(=O)O)CC2)cc1 729640789 RBLUUNWSZFMUEC-UHFFFAOYSA-N 450.542 2.091 50 10 JEGE CCCN1CC[C@H]([C@@H](Br)c2cnn(C)c2I)S1(=O)=O 2089514014 IDVMQOTYFSEDCA-ZJUUUORDSA-N 462.151 2.275 50 10 JEGE C[C@@H](C(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1)N1C(=O)NC2(CCCC2)C1=O 726496935 RWCBRSWGYBCXTJ-HNNXBMFYSA-N 468.485 2.419 50 10 JEGE CC(=O)N1c2ccccc2C[C@H]1C(=O)NNc1ccc(S(=O)(=O)Nc2nccs2)cc1 1306688821 WEOMTTHZKFLYFP-SFHVURJKSA-N 457.537 2.365 50 10 JEGE COc1cc(OC)cc(C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1 1860769787 IBLNBGJNEQLHIA-LBPRGKRZSA-N 456.524 2.061 50 10 JEGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1sccc1B(O)O 1901484611 AVRYOEXPTHBQFT-NRFANRHFSA-N 464.352 2.361 50 10 JEGE CN(CC1CC(Br)C1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000540626 GDPHOGBLTXQCNH-KJBLDROHSA-N 461.353 2.446 50 10 JEGE C[C@H](Br)C[C@H]1COCCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2065577684 UMQUCZWYORIYGG-GJZGRUSLSA-N 473.389 2.267 50 10 JEGE C[C@]12CN(Cc3ccccc3)C[C@@H]1CN(S(=O)(=O)c1cnn(CCBr)c1)C2 2179818439 ZNZXBGZPHVVELZ-IEBWSBKVSA-N 453.406 2.421 50 10 JEGE Cc1cc(B(O)O)cc(C(=O)NCCCONC(=O)OCC2c3ccccc3-c3ccccc32)c1 2255515496 YQKZHCDENPJESU-UHFFFAOYSA-N 474.322 2.265 50 10 JEGE COc1ccc(C=CC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1OC 2325893194 JZLMDKWEPZYUEZ-AWEZNQCLSA-N 482.562 2.461 50 10 JEGE CCN(CC)C(=O)CN1C(=O)/C(=N\NC(=O)CCc2ccc3c(c2)OCO3)c2ccccc21 59152335 IDJDLBVAVSTGRZ-RWEWTDSWSA-N 450.495 2.083 50 10 JEGE O=C(NNC(=O)C1CCN(c2nc3ccccc3s2)CC1)c1csc(N2CCOCC2)n1 727365755 MPDHQHNFJRHXQD-UHFFFAOYSA-N 472.596 2.267 50 10 JEGE O=C(NNC(=O)N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1)c1ccc(-n2cnnn2)cc1 727473665 OLUMRKKUSHYLDI-LJQANCHMSA-N 480.916 2.118 50 10 JEGE CC1=N[C@@]2(C(C)=NNC(N)=O)[C@H](C[C@@H]3[C@H]4CCC5=CC(=NNC(N)=O)C=C[C@]5(C)[C@@H]4C(=O)C[C@@]32C)O1 1083142787 OFEHTJTYDSSXJI-AUOCOACSSA-N 495.584 2.139 50 10 JEGE COc1cccc(OCC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 1860772120 RSJKTRWJOITDEK-ZIAGYGMSSA-N 470.551 2.379 50 10 JEGE CC(C)(C)OC(=O)N1C[C@H]2CCCN(S(=O)(=O)N3CCC(Br)CC3)[C@H]2C1 2106774555 XXRNBJVXFNYBNY-HIFRSBDPSA-N 452.415 2.422 50 10 JEGE Nn1c(SCC(=O)N/N=C/C=C/c2ccccc2)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 58989878 DTJDTCRIELICPO-WXEZRFCZSA-N 468.455 2.383 50 10 JEGE C[C@@H](Sc1n[nH]c(N/N=C/c2ccc(Br)cc2)n1)C(=O)NNC(=O)C1CCC1 59879217 DNAKKPHGCAWXIC-XTTRTJGBSA-N 466.365 2.441 50 10 JEGE O=C(N[C@H]1CS(=O)(=O)C[C@H]1Cl)c1cc(Br)ccc1I 236028612 ZTIJBZQYHNYQPM-SCZZXKLOSA-N 478.533 2.188 50 10 JEGE COc1ccc(CCC(=O)N2CCCN(C(=O)NNC(=O)CCOc3ccccc3)CC2)cc1 725865688 JSJIPBOHHOMWEV-UHFFFAOYSA-N 468.554 2.372 50 10 JEGE O=C(CCN1C(=O)c2ccc(Br)cc2C1=O)NNC(=O)c1cccc(OC(F)F)c1 728488182 NHXRZIVINOOPRD-UHFFFAOYSA-N 482.237 2.498 50 10 JEGE C=C[C@@H]1OCC[C@H]1C(=O)NNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 1538921577 CBWSBKNNVNEHSK-UXHICEINSA-N 477.970 2.269 50 10 JEGE Cc1c(CN2CCNCC2)cc(B(O)O)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 1887522853 UHQNXGQOAJZDBL-UHFFFAOYSA-N 471.366 2.441 50 10 JEGE CN(Cc1cccc(B(O)O)c1)C(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21 2248886750 GQHUHJIJLRGDCL-UHFFFAOYSA-N 458.323 2.254 50 10 JEGE CC(C)(C)OC(=O)NC1(C(=O)Nc2ccc(B(O)O)cc2F)CCN(Cc2ccccc2)CC1 2284054349 BENMIVKSKJGBDD-UHFFFAOYSA-N 471.338 2.004 50 10 JEGE COC(=O)c1cc(OC)c(OC)cc1NC=C1C(=O)N(C[C@H]2CCCO2)C(=O)C(C#N)=C1C 2296535470 ISJXHRNRWSLMLY-CQSZACIVSA-N 455.467 2.174 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCCSCCCBr 2299176607 JJIUPJYWUJGNQW-KRWDZBQOSA-N 481.409 2.448 50 10 JEGE Cc1ccc(C(=O)NC(=S)NNC(=O)Cc2ccccc2)cc1I 13977142 JNGVFHFRQXBDOE-UHFFFAOYSA-N 453.305 2.478 50 10 JEGE N#C/C(=C\N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1)C(=O)NCc1ccccc1 254432779 TYUSPNWGILKUNA-CKZBACRXSA-N 466.588 2.481 50 10 JEGE CCOC(=O)C1=NO[C@@H](Cc2c(C=NNC(=O)c3ccccc3O)c(OC)c3c(c2OC)OCO3)C1 254491709 XCUJYPRNZUFAEQ-ZDUSSCGKSA-N 499.476 2.153 50 10 JEGE O=S1(=O)CCC(C(CBr)(CBr)[C@H]2CCS(=O)(=O)C2)CC1 689933046 XFAXTOJZMQNLPC-NSHDSACASA-N 452.230 2.022 50 10 JEGE C#Cc1cccc(NC(=S)NNC(=O)CCCN(C)S(=O)(=O)c2ccc(OC)cc2)c1 727497752 LIRJTOVOCZXAMJ-UHFFFAOYSA-N 460.581 2.095 50 10 JEGE O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 1860771083 IWKILRPUOKYXTO-JXMROGBWSA-N 453.480 2.106 50 10 JEGE COC[C@H](CCBr)NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942086449 ARAPJRCFUULYBF-AWEZNQCLSA-N 461.378 2.172 50 10 JEGE O=C(N[C@H]1CS(=O)(=O)C[C@@H]1Br)c1ccc(Cl)cc1I 2340051738 GVDYABDCPKUOEB-WPRPVWTQSA-N 478.533 2.235 50 10 JEGE C[C@H]1CCCCN1Cc1c(C(=O)NN=Cc2c(O)ccc3ccccc23)nnn1-c1nonc1N 254441228 NZZHNYHXQUDBRR-AWEZNQCLSA-N 475.513 2.230 50 10 JEGE CN(C)c1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CSc2ccccc2)cc1 254492400 USVADCZLEOMMIO-UHFFFAOYSA-N 463.527 2.355 50 10 JEGE Cc1cc(/C=C(\C#N)C(=O)OCC(=O)NCCCN(C)S(C)(=O)=O)c(C)n1-c1ccc(F)cc1 918956970 GLEWEAMALDIZIC-CPNJWEJPSA-N 490.557 2.081 50 10 JEGE CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)C1=CNc1ccc(OC(F)(F)F)cc1 2296535432 CWBKGVPYPPBCEI-ZDUSSCGKSA-N 455.414 2.277 50 10 JEGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1cccc(B(O)O)c1 2301662857 SVEFCRPUUWPUMY-DEOSSOPVSA-N 458.323 2.300 50 10 JEGE CN1CC[C@@H]([C@@H](Br)c2c(Br)c(Br)nn2C)S1(=O)=O 2316718611 VPPVQPPFGWSNPG-NTSWFWBYSA-N 465.993 2.415 50 10 JEGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@H]2COC[C@@H](C1)C2Br 2364231323 XORSZWLQRGURFS-DHBOJHSNSA-N 471.975 2.427 50 10 JEGE CCOC(=O)c1ccc(OCC(=O)NNC(=O)c2cc(Br)ccc2OC)cc1 9695923 IKNDHIDBRWQKBL-UHFFFAOYSA-N 451.273 2.474 50 10 JEGE Nc1c(NNC(=O)COc2ccccc2)ncnc1NNC(=O)COc1ccc(Cl)cc1Cl 101572834 GMKDTZOWKFHYDC-UHFFFAOYSA-N 492.323 2.410 50 10 JEGE Nc1nonc1-n1nnc(C(=O)NN=Cc2c(O)ccc3ccccc23)c1-c1ccc([N+](=O)[O-])cc1 254489765 YSWBPBTZRKGHIQ-UHFFFAOYSA-N 485.420 2.430 50 10 JEGE CCN(CC)C(=O)CN1C(=O)C(=NNC(=O)c2cc(OC)c(OC)c(OC)c2)c2ccccc21 1084216950 KNYMTUHAOVLHPX-UHFFFAOYSA-N 468.510 2.062 50 10 JEGE CC(=O)N1CCN(c2cccc(NC(=O)NNC(=O)c3cc(-c4cccs4)[nH]n3)c2)CC1 1668874846 ACPDAAZRFNIJCY-UHFFFAOYSA-N 453.528 2.273 50 10 JEGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2sc(B(O)O)cc2C1 2248420261 QLLXHEYMIMDGOV-OAHLLOKOSA-N 476.363 2.240 50 10 JEGE Cc1cc(Br)cc(Br)c1OCC(=O)NC(=S)NNC(=O)C1CC1 12572758 BMWWUSOOKLOKOE-UHFFFAOYSA-N 465.167 2.331 50 10 JEGE COc1ccc(CNC(=O)/C(C#N)=C\N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 216987910 FFKZSOXTUAJZTQ-JZJYNLBNSA-N 454.552 2.034 50 10 JEGE O=C(N1C[C@H](CO)CN(Cc2ccccc2)C[C@@H]1CI)C(F)(F)F 697674921 RNEUWUNRENBMKF-KGLIPLIRSA-N 456.246 2.305 50 10 JEGE C=CCn1c(SCC(=O)NNC(=O)c2ccc(=O)n(C)c2)nnc1-c1ccc(Cl)cc1 1463159342 SHZSYEIZUCBIDF-UHFFFAOYSA-N 458.931 2.037 50 10 JEGE C[C@@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)c4cc5ccccc5oc4=O)c(=O)c23)C1 1860769746 GOLKUDRJHNPJKI-GFCCVEGCSA-N 464.503 2.150 50 10 JEGE O=S(=O)(N1CCC(Br)CC1)N1CC[C@H]2COC[C@@H](C1)N2Cc1ccccc1 2204526942 PNRJZYCGLYBGHM-RBUKOAKNSA-N 458.422 2.066 50 10 JEGE OB(O)c1cc(Br)cnc1OCc1cc(I)ccc1Cl 2380347448 VHAVTRRSWYSPBX-UHFFFAOYSA-N 468.281 2.361 50 10 JEGE CCN(CC)c1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN(C)c2ccccc2)cc1 254700883 ZCWVOYITIRZTJH-UHFFFAOYSA-N 488.556 2.479 50 10 JEGE Cc1cc(C(F)(F)F)nn1Cc1noc(C(=O)NN=Cc2cc3c(cc2[N+](=O)[O-])OCO3)n1 254748838 JCZYPMLSSYZZGS-UHFFFAOYSA-N 467.320 2.042 50 10 JEGE CCOc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2-c2cccc(OCC)c2)cc1 254823521 MNGMTEPWRDRWOO-UHFFFAOYSA-N 462.470 2.461 50 10 JEGE CCOc1ccc(-c2c(C(=O)NN=Cc3cccc(OC)c3OC)nnn2-c2nonc2N)cc1 254834780 KEUGTQLVRAOFRA-UHFFFAOYSA-N 478.469 2.079 50 10 JEGE C[C@@H](c1cscc1B(O)O)N(C)C(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2284060463 NQYYYJBGFYAEFZ-XDHUDOTRSA-N 487.431 2.117 50 10 JEGE Cc1cc(Cl)ccc1OCC(=O)NC(=S)NNC(=O)CCC(=O)NCc1ccccc1 12503406 DEWDYWVINKJDDH-UHFFFAOYSA-N 462.959 2.146 50 10 JEGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(NNC(=O)c2ccncc2)c1[N+](=O)[O-] 40658934 PTMYUPSHZHJSFB-UHFFFAOYSA-N 493.267 2.366 50 10 JEGE O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C1/C(=O)N(CCN2CCCCC2)c2ccccc21 59154087 KWLSMHMBCRHTPQ-YYDJUVGSSA-N 451.483 2.327 50 10 JEGE CC1(C)O[C@@H]2O[C@H](C(=O)N/N=C/c3cccc(Br)c3)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 252394573 VWRYINVXIDQZFU-ZCAMMIKQSA-N 455.305 2.296 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCS[C@H](CCBr)C1 719991684 GJOPUKCLDMASKX-CYBMUJFWSA-N 461.403 2.205 50 10 JEGE C#CCNS(=O)(=O)c1cccc(C(=O)NNc2cc([N+](=O)[O-])ccc2Br)c1 1472561410 SWDQMXVWFAPBFI-UHFFFAOYSA-N 453.274 2.026 50 10 JEGE CC(=O)N[C@@H](C(=O)NNC(=S)NCCc1cccs1)c1cccc(Br)c1 1587706631 PPUMPZJUJJSLDA-OAHLLOKOSA-N 455.403 2.426 50 10 JEGE C[C@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)c4cc5ccccc5oc4=O)c(=O)c23)C1 1860769747 GOLKUDRJHNPJKI-LBPRGKRZSA-N 464.503 2.150 50 10 JEGE COC[C@](C)(CBr)CNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1926968896 WACSRXWNHARKPM-LJQANCHMSA-N 475.405 2.276 50 10 JEGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(B(O)O)cn1 2248397265 JVLMDKQMRSUVCI-QHCPKHFHSA-N 459.311 2.263 50 10 JEGE CCOc1cccc(-c2c(C(=O)NN=C(C)c3ccc([N+](=O)[O-])cc3)nnn2-c2nonc2N)c1 254505627 MBPBXTOIAOOMEQ-UHFFFAOYSA-N 477.441 2.360 50 10 JEGE CC(=NNC(=O)CSc1nnc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1N)c1ccccc1 1083889027 OQQNPGGLMJVDGC-UHFFFAOYSA-N 456.444 2.108 50 10 JEGE CSCC[C@H](Br)CCNS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 1937244431 RIABAZOOGZFZPX-CYBMUJFWSA-N 463.419 2.499 50 10 JEGE C[C@@H](Br)[C@@H](NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)C(F)(F)F 1990686332 MAZJTOGCDDBFQT-BXKDBHETSA-N 457.268 2.306 50 10 JEGE CC(C)(C)OC(=O)N1CCN(C[C@H](Br)C(F)(F)F)[C@H]2CS(=O)(=O)C[C@@H]21 2044705800 OCMMUDDRSLIVGG-DCAQKATOSA-N 451.305 2.031 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCO[C@@H]2C[C@H](CCl)C[C@H]21 2199783936 VKKCEIFWFCVINQ-ZTFGCOKTSA-N 454.976 2.357 50 10 JEGE Cc1cc(NC(=O)[C@@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)ccc1B(O)O 2283983351 JETLPASXVDRFGM-VWLOTQADSA-N 468.359 2.457 50 10 JEGE O=S1(=O)C[C@H](OCc2cccc(I)c2)[C@@H](I)C1 2302689144 DXRDXRQURUXKPA-QWRGUYRKSA-N 478.089 2.408 50 10 JEGE CCN1CC[C@@H](CNC(=O)/C(C#N)=C\c2cn(CCC(N)=O)nc2-c2ccc(Cl)cc2)C1 730937322 QQTPNYXANXOENV-GYXHFJGISA-N 454.962 2.444 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@@H](CBr)C1 2000533227 PPWIMEZGEQXSIP-UGSOOPFHSA-N 461.353 2.448 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CBr)CC1CC1 2000541273 IAKQJBSRDKHJAL-UGSOOPFHSA-N 461.353 2.494 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCO[C@@H]2C[C@@H](Br)C[C@@H]21 2128873385 XWAXSZWMAWOGKI-JCGIZDLHSA-N 485.400 2.409 50 10 JEGE O=S(=O)([C@H]1C[C@H](CBr)C1)N1CC[C@@H](N2CCN(Cc3ccccc3)CC2)C1 2179830447 LMCBRGZSWZNAAX-VAMGGRTRSA-N 456.450 2.382 50 10 JEGE Cc1cc(CNC(=O)[C@@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)sc1B(O)O 2243685529 WLGAOVIWZBBPKG-OAHLLOKOSA-N 464.352 2.280 50 10 JEGE O=C(Cc1cc(Br)cc(Br)c1)N[C@@H]1CS(=O)(=O)C[C@H]1Br 2295310729 ASYUBDQFPFWHGR-GHMZBOCLSA-N 490.011 2.431 50 10 JEGE COc1ccc(N([C@H](C)C(=O)NN=Cc2ccc(OC3CSC3)cc2)S(C)(=O)=O)cc1 2175830 NUXRWXJRAFXJDC-OAHLLOKOSA-N 463.581 2.494 50 10 JEGE Cc1nc2nc(N)nn2c(C)c1CC(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1 17200541 VQAGKPVSZSBDHO-UHFFFAOYSA-N 463.473 2.045 50 10 JEGE O=C(Cc1ccc([N+](=O)[O-])cc1)NNc1ncnc(N2CCN(c3ccc(F)cc3)CC2)c1[N+](=O)[O-] 40659245 WUDAIXLCJMKULX-UHFFFAOYSA-N 496.459 2.445 50 10 JEGE O=C(CCCCCCCC(=O)NNC(=O)COc1ccccc1)NNC(=O)COc1ccccc1 43482150 CXYLSHRKQPKDEH-UHFFFAOYSA-N 484.553 2.170 50 10 JEGE Nn1c(SCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)nnc1-c1ccc(Br)cc1 58988163 QFZOQJIWLWBYNK-DNTJNYDQSA-N 492.315 2.278 50 10 JEGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNS(=O)(=O)c4cccs4)c(=O)c23)C1 1860770443 ICFPUTNXMPUMKX-WDEREUQCSA-N 452.583 2.215 50 10 JEGE O=C(CN1CCOCC1)N/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 59153022 BTLBHLFGTAUHKO-QQTULTPQSA-N 475.318 2.288 50 10 JEGE CCOc1ccccc1C(C)=NNC(=O)c1nnn(-c2nonc2N)c1-c1cccc(OC)c1 254625374 XZCSSYUGOAIXLE-UHFFFAOYSA-N 462.470 2.461 50 10 JEGE Cc1onc(-c2ccc(F)cc2)c1C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 728214555 RPXFSYHJFDCBGM-UHFFFAOYSA-N 473.530 2.482 50 10 JEGE CC(=O)N1CCN(c2ccc(C(=O)NNc3nc(C(F)(F)F)cs3)cc2[N+](=O)[O-])CC1 1472529359 XDEPGFXKCBHVFV-UHFFFAOYSA-N 458.422 2.496 50 10 JEGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(N4CCCC4)cc3)C2)C1 1872962494 UPSOVXQEERQESI-WOJBJXKFSA-N 476.581 2.417 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC=CC[C@@H]1CBr 2007530193 YZINODNZRWBBDL-FZKQIMNGSA-N 459.337 2.366 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1[C@H]2CC[C@H]1[C@H](F)[C@H](Br)C2 2016207558 RNTGEKIDEDTMEP-BJKJVOPESA-N 459.337 2.341 50 10 JEGE CN(CCN(CC(=O)N[C@H]1CS(=O)(=O)C[C@H]1Cl)Cc1ccccc1)Cc1ccccc1 2019313907 RRFLAHHZYYORIO-YADHBBJMSA-N 464.031 2.141 50 10 JEGE C[C@H](CCCCCI)NS(=O)(=O)c1c(Br)nnn1C 2117893266 HNALERVMBZEZAZ-MRVPVSSYSA-N 465.155 2.240 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2OCCC[C@@]2(CCl)C1 2238800821 UZMZSMYTKZPDDS-FFZOFVMBSA-N 458.939 2.060 50 10 JEGE C[C@H](c1cc(B(O)O)cs1)N(C)C(=O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2256671541 UBEHUUMIUZRNAR-QAPCUYQASA-N 462.377 2.057 50 10 JEGE Cc1ccc(NC(=O)CN2C(=O)/C(=N\NC(=O)CNC(=O)c3ccccc3)c3ccccc32)cc1 1004830 HCEXQPDTHNTZLD-KRUMMXJUSA-N 469.501 2.231 50 10 JEGE COc1ccc(C(=O)NNC(=S)NC(=O)COc2cccc(C)c2)cc1I 12503080 BKSAYKXEYCKXCZ-UHFFFAOYSA-N 499.330 2.323 50 10 JEGE O=C1C(Br)=C/C(=C\NNC(=O)C(O)(c2ccccc2)c2ccccc2)C=C1[N+](=O)[O-] 33912992 WVCSQQJBHQSDHN-BUHFOSPRSA-N 470.279 2.449 50 10 JEGE C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N[C@@H](CS)C(=O)O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 70697814 VVYLAGBYVBIHHA-CCNOIFPWSA-N 487.571 2.017 50 10 JEGE COC(=O)[C@H](I)CNS(=O)(=O)c1ccc(Cl)c(Br)c1 300129399 AMKGEIQPEYERLX-SECBINFHSA-N 482.521 2.357 50 10 JEGE COC[C@](C)(CBr)NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942090446 VPRCOEINBYVAOW-SFHVURJKSA-N 461.378 2.172 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NC[C@@H](Br)CC(F)(F)F 1982727233 GQRKOGQQYLNGEB-JTQLQIEISA-N 457.268 2.308 50 10 JEGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCC(Br)CC2)c2cncnc21 2163057605 CRCLHJBYDNBXNA-UHFFFAOYSA-N 462.370 2.142 50 10 JEGE CC(C)(CC(CBr)(CBr)[C@@H]1CCS(=O)(=O)C1)S(C)(=O)=O 2167893500 CHHLDGQOEWQZFS-SNVBAGLBSA-N 454.246 2.411 50 10 JEGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NN=CC=Cc3ccccc3[N+](=O)[O-])CC2)cc1 2293746706 JOCMPPNTTXFRFQ-UHFFFAOYSA-N 471.539 2.025 50 10 JEGE COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)C(C#N)=C2Nc3ccccc3N2)cc1 6016607 YJZYBZBCWCONIF-UHFFFAOYSA-N 456.524 2.426 50 10 JEGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)/C=C/c2ccc(OC)cc2)cc1 14021989 IERTVSNFQRLFHV-AWNIVKPZSA-N 471.535 2.376 50 10 JEGE CCS(=O)(=O)CCCC(CBr)(CBr)[C@H]1CCS(=O)(=O)C1 118875453 UVLQIJFYDZXLBN-NSHDSACASA-N 454.246 2.412 50 10 JEGE N#C/C(=C/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1)C(=O)NCc1ccccc1 205338322 CADIJGPZBWXFBH-SDKVSJQJSA-N 452.561 2.485 50 10 JEGE COc1ccc(C(=O)NNC(=O)c2cn(C)c3ccccc23)cc1S(=O)(=O)NCc1ccccn1 726495931 XXXFPDXLPYCREY-UHFFFAOYSA-N 493.545 2.135 50 10 JEGE Nn1c(CCc2ccccc2)nnc1SCC(=O)NN=Cc1cc(Br)ccc1O 1083885873 ZHMDPSWCDMXGOH-UHFFFAOYSA-N 475.372 2.488 50 10 JEGE C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)N1C[C@@H](C(=O)N2CCC[C@@H](C(=O)NNc3ccccn3)C2)CC1=O 1872961047 HVTZOZPULMMBCD-SSFAQJFESA-N 453.587 2.437 50 10 JEGE CC(C)(C)OC(=O)NCCCn1cc(NS(=O)(=O)N2CCC(Br)CC2)cn1 2237706210 GGTPNNNJIDHHFV-UHFFFAOYSA-N 466.402 2.314 50 10 JEGE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(B(O)O)cc1 2248921044 MVPJGOATEGBWGQ-UHFFFAOYSA-N 458.323 2.300 50 10 JEGE C[C@H](c1cc(B(O)O)cs1)N(C)C(=O)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2284141273 CDDLRRKTMVHGKC-QGZVFWFLSA-N 488.415 2.401 50 10 JEGE CN(CCBr)CCN(C)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338842306 HQLGNGOVUUNSRC-UHFFFAOYSA-N 488.448 2.431 50 10 JEGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2[N+](=O)[O-])cc1Br 14662092 AEBJNGNXQCMENU-UHFFFAOYSA-N 497.327 2.332 50 10 JEGE CC(=O)[C@@H]1CC(C(=O)NNC(=O)[C@H](C)Nc2nc3ccccc3s2)=NN1c1ccccc1 751318656 FHJNFGSNQYVHBR-UGSOOPFHSA-N 450.524 2.468 50 10 JEGE Cc1nn(C)c(C)c1/C=C\C(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 1087686803 CWDACZXEBLWRJE-YPKPFQOOSA-N 456.510 2.213 50 10 JEGE O=S(=O)(N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C(F)F)N1CCC(Br)CC1 1878728061 WJVDNZQCHOUTPO-JKSUJKDBSA-N 452.365 2.446 50 10 JEGE C[C@@H]1CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C[C@H](CCBr)O1 2058882086 HSZSOOOJIWUVJN-CABCVRRESA-N 473.389 2.267 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@H](OCCCBr)C1 2085955644 RPNWELCCKAVVDP-HNNXBMFYSA-N 473.389 2.269 50 10 JEGE Cc1sc(B(O)O)c(C(=O)N(OCc2ccccc2)C2CN(C(=O)OC(C)(C)C)C2)c1C 2255567102 WOZYLJQWAZWSMG-UHFFFAOYSA-N 460.361 2.238 50 10 JEGE NNC(=O)[C@H]1CC[C@H](COCc2cc(I)ccc2Br)O1 2367269209 RSKWHUNLFPOMAE-ZYHUDNBSSA-N 455.090 2.108 50 10 JEGE CCOc1cc(/C=N/NC(=O)[C@H]2C(=O)NC[C@@H]2c2ccccc2)cc(I)c1O 2736981 XMZNSYMMUJFINW-AQJPVCHUSA-N 493.301 2.375 50 10 JEGE O=C(CCC(=O)Nc1ccccc1)NNC(=S)NC(=O)CCC(=O)OCCCc1ccccc1 13999287 GZKHYEVJPADOPR-UHFFFAOYSA-N 484.578 2.383 50 10 JEGE CCOC(=O)c1ccc(OCC(=O)NNC(=O)c2ccccc2I)cc1 14027274 SGNCFCLSCZEHGO-UHFFFAOYSA-N 468.247 2.308 50 10 JEGE Cc1c(C(=O)NCCN2CCOCC2)oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 40812969 ZLJUKGXGZSLDOJ-XIEYBQDHSA-N 469.498 2.029 50 10 JEGE C/C(=C\C(=O)NNC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1)CN1CCOCC1 1540691968 PCTWJVHUXZGGTB-FOWTUZBSSA-N 455.584 2.425 50 10 JEGE CC(=O)N1CCN(Cc2ccccc2NC(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)CC1 1562632788 IYJALGBFRRHTLD-INIZCTEOSA-N 457.506 2.110 50 10 JEGE C/C(=C\C(=O)N[C@H](CO)C(=O)Nc1ccc(SC#N)cc1)c1cccc(S(=O)(=O)N(C)C)c1 1867077560 NJRHTMUMSXZVNT-WLEBTQASSA-N 488.591 2.029 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@@H]2CC[C@@]2(CBr)C1 2021645220 JYVVFLOHSIHRRL-IFXJQAMLSA-N 455.374 2.500 50 10 JEGE CC(C)(CC(=O)NCCOCCOCCC(=O)ON1C(=O)CCC1=O)SSc1ccccn1 2060423958 XKKOSKZJZGJYBR-UHFFFAOYSA-N 499.611 2.137 50 10 JEGE COc1ccc(CC(=O)NNC(=S)NC(=O)c2ccc(OC)c(I)c2)cc1 12502963 VJBKKZZLNBJIJC-UHFFFAOYSA-N 499.330 2.187 50 10 JEGE O=C(NN=CC=NNC(=O)c1cccc(N2CCCC2=O)c1)c1cccc(N2CCCC2=O)c1 1084641369 NZAKOKDYSZZRNJ-UHFFFAOYSA-N 460.494 2.072 50 10 JEGE CCc1ccc(S(=O)(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 1860770497 KUWJCFYTIXXXQF-ZDUSSCGKSA-N 460.581 2.470 50 10 JEGE C[C@@H]1C[C@@H]1N(CCBr)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2002036464 YQGPISWWPHUGTA-MRAWALMUSA-N 461.353 2.446 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1C[C@H](CCBr)C1 2021783566 BWUGAQRQCSEHJZ-SNUQEOBHSA-N 461.353 2.494 50 10 JEGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=S)NC(=O)COc1ccc([N+](=O)[O-])cc1 12572473 FLQSGBJTANSPSG-UHFFFAOYSA-N 493.929 2.376 50 10 JEGE Cc1cc(=O)c2nncn2n1CC(=O)NN=CCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 1083970549 OHTXYBOAQRBRTJ-UHFFFAOYSA-N 469.845 2.366 50 10 JEGE COc1cc(C=NNC(=O)CNc2ccc(I)cc2)c(O)c([N+](=O)[O-])c1 1084044388 NJMZAFZWAQEGLF-UHFFFAOYSA-N 470.223 2.476 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H]2C(CBr)[C@H]2C1 1943069035 VSPOIBCKEMWBRI-IAGOWNOFSA-N 455.374 2.355 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NCCOCCCBr 1997684975 AMRPRWMDCJMHNM-UHFFFAOYSA-N 461.378 2.174 50 10 JEGE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1CNS(=O)(=O)c1ccc(CBr)cc1 2162600570 IXFCRMSWZOGSSG-HNNXBMFYSA-N 462.410 2.411 50 10 JEGE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)c(B(O)O)s1 2247894209 DIVIDWDKVUVRFL-UHFFFAOYSA-N 488.824 2.187 50 10 JEGE Cc1ccc(NC(=O)C(C#N)=Cc2c(N3CCC(C(N)=O)CC3)nc3ccccn3c2=O)cc1 2296846671 PBSZLYPSQVBAGL-UHFFFAOYSA-N 456.506 2.250 50 10 JEGE CCOCCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)CC)cc2)c1 10276214 VIOKQHQOMGBIFK-UHFFFAOYSA-N 458.540 2.400 50 10 JEGE CCOC(=O)/C=C/C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 12501341 DEHMFLFUQFAWMZ-VAWYXSNFSA-N 454.508 2.002 50 10 JEGE Cc1ccc(OCC(=O)NC(=S)NNC(=O)c2ccc([N+](=O)[O-])cc2)c(Br)c1 12570931 ZQYYLIVDNVNWMO-UHFFFAOYSA-N 467.301 2.380 50 10 JEGE O=C(CCCNC(=O)c1ccccc1Br)N/N=C1\C(=O)Nc2ccc([N+](=O)[O-])cc21 38249356 PKHPTPGDDPXAPV-UHFFFAOYSA-N 474.271 2.340 50 10 JEGE C[C@@H](Sc1n[nH]c(N/N=C/c2cccc(Br)c2)n1)C(=O)NNC(=O)C1CCC1 59878468 RJPDOZIJAIIYHK-XTTRTJGBSA-N 466.365 2.441 50 10 JEGE O=C(NN=C1[C@H]2OC[C@@H](O2)[C@H]2[C@H]1[C@H]2C(=O)c1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 252596494 CIZRBZQICZJVBQ-RZSFDFLPSA-N 452.379 2.089 50 10 JEGE CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 1435237466 WTYGATFJAFGTJE-FQEVSTJZSA-N 458.559 2.317 50 10 JEGE C[C@@H](C(=O)NNC(=O)c1ccc2c(c1)OCO2)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860771970 NKNOSSWQINSHII-NEPJUHHUSA-N 454.508 2.334 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCS[C@H](CBr)C1 2000540026 CSDIHAODUCAKOP-SJKOYZFVSA-N 479.393 2.153 50 10 JEGE CN(C)CCN(CCBr)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2038021742 ZMNSYRABFJIYDP-UHFFFAOYSA-N 474.421 2.041 50 10 JEGE C[C@@H](c1cscc1B(O)O)N(C)C(=O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2256665893 OPJDCQHEMPDTLE-KXBFYZLASA-N 462.377 2.057 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N(CCBr)C1COC1 2316827712 UBEIRBULAGEZPB-UHFFFAOYSA-N 473.389 2.269 50 10 JEGE Cc1cc(Cl)ccc1OCC(=O)NNC(=S)NC(=O)COc1ccc([N+](=O)[O-])cc1 12572506 HFHYANVUKCIHKD-UHFFFAOYSA-N 452.876 2.036 50 10 JEGE O=C(C(Cl)Cl)N1CCN(c2nc3nccc(-c4ccc(N5CCOCC5)cc4)n3n2)CC1 95535894 WTQVTFDNTQSPMY-UHFFFAOYSA-N 476.368 2.080 50 10 JEGE COC(=O)c1ccc(C=NNC(=O)c2cccc(C(=O)NN=Cc3ccc(C(=O)OC)cc3)n2)cc1 254344074 SNHYVBYVZXJOSZ-UHFFFAOYSA-N 487.472 2.183 50 10 JEGE COc1ccc(OC)c(NC(=O)C(=O)NN=C(C)CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c1 254865867 WVFFMRYDJQNNQN-UHFFFAOYSA-N 473.442 2.080 50 10 JEGE COc1ccc(N2C[C@@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1Cl 1872960926 HNSRCOPTUUALIL-HOTGVXAUSA-N 471.945 2.478 50 10 JEGE C[C@@H](O)CN(CCNS(=O)(=O)c1ccc(CBr)cc1)C(=O)OC(C)(C)C 2106295605 JCSYPKUGYWOVBF-CYBMUJFWSA-N 451.383 2.478 50 10 JEGE O=C(NOCCCNC(=O)c1ccsc1B(O)O)OCC1c2ccccc2-c2ccccc21 2243358132 CPUGGDKMNGLIKR-UHFFFAOYSA-N 466.324 2.018 50 10 JEGE C=CCn1c(SCC(=O)NNC(=O)c2cnn[nH]2)nnc1-c1ccc(Cl)cc1Cl 729455919 HAGQMOLDKKNVDN-UHFFFAOYSA-N 453.315 2.109 50 10 JEGE COc1ccc(OCc2ccc(C=NNc3nc(S[C@H](C)C(=O)NNC(C)=O)n[nH]3)o2)cc1 1084164140 FWUUURBVHFWNIX-GFCCVEGCSA-N 473.515 2.079 50 10 JEGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cccnc2)cc1OC 1084593462 JHHVVQOSGNSKTB-UHFFFAOYSA-N 482.562 2.483 50 10 JEGE CC(C)(C)OC(=O)N1CC(N(OCc2ccccc2)C(=O)c2ccc(Cl)cc2B(O)O)C1 2255497480 BRMUHVHCWMMMSA-UHFFFAOYSA-N 460.723 2.213 50 10 JEGE O=C(NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1)c1cccc(B(O)O)c1Cl 2267350656 LZCISVXGLHZLQY-UHFFFAOYSA-N 464.758 2.221 50 10 JEGE C[C@H](c1nscc1B(O)O)N(C)C(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 2319026642 LGGOFSFUJBYLGW-OAHLLOKOSA-N 491.378 2.414 50 10 JEGE Cc1nc(N)sc1C(=O)NN/C=C1\C=C(Br)C(O)=C(Br)C1=O 6132006 CHWMURVMUPASBD-HWKANZROSA-N 450.112 2.178 50 10 JEGE CC/C(=N\NC(=O)CSc1nnc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1N)c1ccccc1 58990919 JXZVJQVJNAXPGA-LTGZKZEYSA-N 470.471 2.498 50 10 JEGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)C(=O)NCc2ccccc2)cc1 254555603 AEKOPSKTTOFUHF-UHFFFAOYSA-N 460.490 2.479 50 10 JEGE COc1cc(C=NNC(=O)c2c(C)nnn2-c2nonc2N)ccc1OCc1ccccc1F 254568153 YFDWZSQRNWMSLP-UHFFFAOYSA-N 466.433 2.032 50 10 JEGE Cc1ccc(SCc2c(C(=O)NN=Cc3ccc(O)cc3)nnn2-c2nonc2N)cc1 254720941 HRCLFGRRWFKLLE-UHFFFAOYSA-N 450.484 2.303 50 10 JEGE O=C(NNC(=O)[C@@H]1C[C@H]1c1cccc2ccccc12)c1cccc(S(=O)(=O)N2CCOCC2)c1 730735973 FMZWSYXVQLRSFR-XZOQPEGZSA-N 479.558 2.425 50 10 JEGE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12 1135537996 JUFCTFYXBWZGMY-QGZVFWFLSA-N 455.515 2.045 50 10 JEGE C=C(C)[C@@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(F)c(F)c1 1226646918 KTUDKPZENOLGNE-GOSISDBHSA-N 452.483 2.477 50 10 JEGE Cc1nc(-c2cnccn2)sc1C(=O)NNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 1865851643 FPGKZZORUUDFJE-UHFFFAOYSA-N 481.563 2.020 50 10 JEGE O=C(N[C@@H]1CC12CC(NS(=O)(=O)CI)C2)OCc1ccccc1 1884247391 HEDVDAMLOHXKQX-JVWICGRDSA-N 450.298 2.146 50 10 JEGE O=S(=O)(NCCOCCCI)C1CC(OCc2ccccc2)C1 1977077473 ZUGKQRQFSNJLAB-UHFFFAOYSA-N 453.342 2.495 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2C[C@H]2[C@@H]1CBr 2021751847 LWEWRRPLINNCDN-PDOBJIDASA-N 459.337 2.056 50 10 JEGE O=S(=O)(C[C@H](Br)c1csc(I)c1)N1CCOCC1 2028949695 WCAWPFTUQKEXIM-VIFPVBQESA-N 466.160 2.451 50 10 JEGE CN(C[C@]1(Oc2ccc(B(O)O)cn2)CCCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C 2270913915 DSLVMYFBNPOQPI-XMMPIXPASA-N 455.364 2.042 50 10 JEGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)NN=Cc1cccc([N+](=O)[O-])c1 254396686 ZTIVLZDNFSNOLA-UHFFFAOYSA-N 477.510 2.408 50 10 JEGE COc1cc(C2=NNC(=O)CC2)ccc1NNC(=O)[C@@H](CC(C)C)N1C(=O)c2ccccc2C1=O 1858079698 OMLBSYRCMMQAND-HXUWFJFHSA-N 477.521 2.463 50 10 JEGE C[C@@H](C(=O)NNC(=O)c1cc2ccccc2oc1=O)n1cnc2sc3c(c2c1=O)CCCC3 1860771907 LJYQDFWPLFMFPR-LBPRGKRZSA-N 464.503 2.465 50 10 JEGE CC(C)[C@H](CI)NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1928302044 WMGJNGQFHXRZNU-HNNXBMFYSA-N 478.352 2.442 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC1CC([C@@H](F)CBr)C1 2021786086 SFAVZDKEELRPTP-ZUEPYMLJSA-N 461.353 2.494 50 10 JEGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1cccc(B(O)O)c1 2317597418 SSZJCZLGCBFXKX-RUZDIDTESA-N 472.350 2.342 50 10 JEGE Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccc(Br)c2)c1-c1ccccc1 3095450 MVJVLPMMBRKBDU-UFFVCSGVSA-N 453.260 2.426 50 10 JEGE Cc1c(C(=O)NN2CCN(C)CC2)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 40822901 OPHXMXFTTYTOCR-LFVJCYFKSA-N 489.374 2.108 50 10 JEGE CC(C)C(=O)NNC(=O)[C@H](C)Sc1n[nH]c(N/N=C/c2cccc(Br)c2)n1 59878472 BZHLRHHZSINUQI-WBFHQNOSSA-N 454.354 2.297 50 10 JEGE CCOC(=O)C1=c2sc(=Cc3cccc(F)c3)c(=O)n2C(N)=C(C#N)[C@H]1c1cccc(F)c1 252675586 ULJKWAGXZJHEBR-LJQANCHMSA-N 465.481 2.179 50 10 JEGE C[C@@H](C(=O)NNC(=O)c1ccc(F)c([N+](=O)[O-])c1)n1cnc2sc3c(c2c1=O)CCCC3 1865851668 FUTAEKBZLZTVRI-JTQLQIEISA-N 459.459 2.406 50 10 JEGE COC[C@@](C)(CCBr)NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2040258464 CCFDVOYEPYKTIL-LJQANCHMSA-N 475.405 2.418 50 10 JEGE CN(CCCS(C)(=O)=O)S(=O)(=O)c1cc(CBr)sc1Br 2179785584 OICCBCFMSNFDKO-UHFFFAOYSA-N 469.242 2.461 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2OCCC[C@]2(CCl)C1 2238800823 UZMZSMYTKZPDDS-UXPWSPDFSA-N 458.939 2.060 50 10 JEGE CC(C)(CI)CN1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21 2306817692 BXNUEYKYPQRNAF-OLZOCXBDSA-N 472.389 2.166 50 10 JEGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1CN1CCCC[C@@H]1C)c1cc(C)sc1C 254492698 IBILVUBJKOMVFC-NSHDSACASA-N 457.564 2.439 50 10 JEGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNS(=O)(=O)c4ccccc4[N+](=O)[O-])c(=O)c23)C1 1860770381 GMTWXOJOVRTLQA-VXGBXAGGSA-N 491.551 2.062 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CNS(=O)(=O)N3CCC(Br)CC3)[C@H]2C1 2138560270 KMJCLGZEVNLRGV-ILXRZTDVSA-N 452.415 2.183 50 10 JEGE C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1)c1cc(B(O)O)cs1 2256620602 KJCSXEHOWKSPDA-YZVOILCLSA-N 462.377 2.104 50 10 JEGE N#CC1=C(N)n2c(s/c(=C/c3ccc(Cl)cc3)c2=O)=C(C(N)=O)[C@@H]1c1ccc(Cl)cc1 2231272 PBMDKDDMNVUTQE-JDZKTDJGSA-N 469.353 2.130 50 10 JEGE CC(C)C(=O)NNC(=O)[C@H](C)Sc1n[nH]c(N/N=C/c2ccc(Br)cc2)n1 59879220 MBNCTWYFWSZYMU-WBFHQNOSSA-N 454.354 2.297 50 10 JEGE COc1ccc(N2CCN(CCNC(=O)NNC(=O)CCSc3ccc(F)cc3)CC2)cc1 743362487 DMIJOEAKVVJRCU-UHFFFAOYSA-N 475.590 2.469 50 10 JEGE C=CCNC(=O)NNC(=O)COc1c(I)cc(Cl)c2cccnc12 915882228 CXVFXZKWPJMHHP-UHFFFAOYSA-N 460.659 2.388 50 10 JEGE CC(=O)c1ccc(S(=O)(=O)CC(=O)NNC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1F 1634393289 SCPOKSSDDJYWQR-GFCCVEGCSA-N 456.879 2.070 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1C[P@@](C)(=O)C[C@H]1Br 2057707288 GLGFKZCQXYAFSC-VSOCQZJYSA-N 495.307 2.069 50 10 JEGE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@H]1C[C@@H]2NS(=O)(=O)N1CCC(Br)CC1 2108246193 VZNPGRBMVFRWEP-MXYBEHONSA-N 452.415 2.372 50 10 JEGE CC(C)(C)OC(=O)N1CCN([S@](C)(=O)=NS(=O)(=O)CCC(CCl)CCl)CC1 2163055505 INMPEZUMCUEPMM-AREMUKBSSA-N 466.453 2.366 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CCl)CC1CCOCC1 2195502121 NCAMJVWTMCQYJK-FOIQADDNSA-N 460.955 2.354 50 10 JEGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)c(B(O)O)c1 2256625888 CWNKVEAOEIALAU-IFXJQAMLSA-N 462.739 2.457 50 10 JEGE CNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)cc1 17200767 VZMBDYPXCGCXIS-UHFFFAOYSA-N 457.483 2.388 50 10 JEGE Cc1c(C(=O)NNC(=O)c2ccncc2)oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 101597533 AZYFRDJWPASJLY-KOEQRZSOSA-N 476.449 2.436 50 10 JEGE O=C(NN=Cc1cc2c(cc1[N+](=O)[O-])OCO2)c1cccc(S(=O)(=O)N2CCCCC2)c1 252513433 ZXBOZHIPLYZKQF-UHFFFAOYSA-N 460.468 2.262 50 10 JEGE CCOc1cc(C=NNC(=O)CSc2nnc(N)s2)ccc1OCC(=O)N1CCCCC1 256028363 HGZGECFAYNDZQI-UHFFFAOYSA-N 478.600 2.153 50 10 JEGE CCN(CC)S(=O)(=O)C[C@H](Br)c1cnn(C)c1I 2028942073 SQSCLKSJKUHNLQ-VIFPVBQESA-N 450.140 2.132 50 10 JEGE O=S(=O)(N1CCC(Br)CC1)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21 2162208614 DARAMDYFUDQOGS-RBUKOAKNSA-N 458.422 2.066 50 10 JEGE CN(CCCBr)S(=O)(=O)N1CCC[C@]2(CN(Cc3ccccc3)CCO2)C1 2179867123 RBWIQOBBCRIRNK-IBGZPJMESA-N 460.438 2.315 50 10 JEGE Nn1c(SCCCC(=O)NN=Cc2ccccc2O)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084268808 ZCBTUGPGUJGHAL-UHFFFAOYSA-N 486.470 2.204 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1CCOC[C@@H]1CBr 2072947537 PSWGHKXNQUGKKA-BBRMVZONSA-N 473.389 2.028 50 10 JEGE COC[C@]1(CBr)C=CCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2351725834 ITLGQUKEJQVJRP-HXUWFJFHSA-N 485.400 2.435 50 10 JEGE CCN1CCN(c2nc3c(C)cccn3c(=O)c2/C=C(/C#N)S(=O)(=O)c2ccccc2)CC1 32307854 PYNRIOOMHAZTGE-SILNSSARSA-N 463.563 2.483 50 10 JEGE O=C1NC(=O)[C@H](c2cc(I)cc(I)c2)[C@@H]1Cl 709818845 IDOFUCBKKBSPSP-SFYZADRCSA-N 461.424 2.243 50 10 JEGE C/C(=C/c1cccnc1)C(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 1540370259 HSTPVPCEBKDZBS-LGMDPLHJSA-N 450.520 2.425 50 10 JEGE C[C@@H]1CN(S(=O)(=O)CI)C[C@@H](C)N1C(=O)OCc1ccccc1 1881743765 BCTFQTQEVXEUDP-CHWSQXEVSA-N 452.314 2.440 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2CC[C@@]2(CBr)C1 2078132876 LMIMQJYKYPDRPP-FASAQXTFSA-N 473.364 2.448 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H](CBr)C[C@@H]2OCC[C@@H]21 2090531445 RAKLBIDRLUAPFB-JQFCIGGWSA-N 485.400 2.265 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](Cl)C2(CCOCC2)C1 2174370245 CKNSYEMKFCCUFQ-VQIMIIECSA-N 458.939 2.060 50 10 JEGE COc1ccc(B(O)O)cc1NC(=O)[C@@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21 2248416750 YOMQVYBHADVFCJ-OAHLLOKOSA-N 460.295 2.241 50 10 JEGE COc1cc(C=NNC(=O)CNc2nnc(O)nc2O)ccc1OCc1cc(C)ccc1C 2323201511 FOMUJYKDGISZIJ-UHFFFAOYSA-N 452.471 2.049 50 10 JEGE O=C(NC1(C(=O)N2CCc3cc(B(O)O)ccc3C2)CC1)OCC1c2ccccc2-c2ccccc21 2341915502 JANWZLNZLIGBGF-UHFFFAOYSA-N 482.345 2.322 50 10 JEGE N#C/C(=C\Nc1ccc(S(=O)(=O)N=C(N)N)cc1)c1nc(-c2ccc3c(c2)OCO3)cs1 2201595 TXWXVYTXZVMOMY-UKTHLTGXSA-N 468.520 2.477 50 10 JEGE COc1ccccc1OCC(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OC 9696122 DBPBAAOYNGMUTP-UHFFFAOYSA-N 468.329 2.181 50 10 JEGE COCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1C 14660687 NKEVCWUYWJNHDS-UHFFFAOYSA-N 496.383 2.497 50 10 JEGE Cn1cc(C(=O)NNC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)c2ccccc21 15092808 CBNQBYAKGJNJQU-UHFFFAOYSA-N 452.492 2.325 50 10 JEGE N#CCN(CC#N)c1ncnc(NNC(=O)COc2ccc(Cl)cc2Cl)c1[N+](=O)[O-] 40617994 CBNHTYLKJWVNDW-UHFFFAOYSA-N 451.230 2.067 50 10 JEGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)N2CCCN(C(C)C)CC2)cc1 727805772 AAPLIWKXDRXCOK-HKWRFOASSA-N 464.570 2.284 50 10 JEGE O=C(Cc1nnc(NC(=O)c2ccccc2)s1)NN=Cc1cc2c(cc1[N+](=O)[O-])OCO2 1084187609 CRCPBBQJJRPXBI-UHFFFAOYSA-N 454.424 2.120 50 10 JEGE C/C(=C\C(=O)N[C@@H](CO)C(=O)Nc1ccc(SC#N)cc1)c1cccc(S(=O)(=O)N(C)C)c1 1867077559 NJRHTMUMSXZVNT-RNTFSAEZSA-N 488.591 2.029 50 10 JEGE C[C@@H]1CN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@H]1CBr 1906256755 MKDRUFYXNQSEAZ-SNUQEOBHSA-N 461.353 2.303 50 10 JEGE C[C@]1(CBr)COCCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 2079152136 QXVGDXOJKYJYNI-LJQANCHMSA-N 473.389 2.126 50 10 JEGE CCc1cc(B(O)O)ccc1NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2268653370 LZQKQDLCPHFRNM-KKSFZXQISA-N 456.348 2.366 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCN2C[C@@H](Br)C[C@H]2C1 2364213018 CUEFXKCOTPQOTF-IRXDYDNUSA-N 498.443 2.326 50 10 JEGE Cc1cc(NC(=O)CSc2nnc(N3CCN(C(=O)CCCBr)CC3)s2)no1 49368314 SMICJEAUGWFXDN-UHFFFAOYSA-N 489.421 2.389 50 10 JEGE COc1ccc(C(=NNC(=O)NN)[C@@H](c2ccc(OC)cc2)[C@]2(O)C(=O)Nc3ccccc32)cc1 254762080 BZGMUFGLOQKNLN-BWKNWUBXSA-N 475.505 2.205 50 10 JEGE CC(C)(C)OC(=O)NCCCC[S@@](C)(=O)=NS(=O)(=O)CI 1884479093 FBCLBYWNHAZPGL-HXUWFJFHSA-N 454.352 2.111 50 10 JEGE CC[C@]1(CBr)COCCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2049902741 BTWFEGAYUFSQCR-IBGZPJMESA-N 473.389 2.269 50 10 JEGE O=C(C=Cc1ccc(I)o1)NNC(=O)COc1ccccc1[N+](=O)[O-] 2059855156 KRGAHAWWOAXERT-UHFFFAOYSA-N 457.180 2.032 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1CCOC[C@H]1CBr 2072947539 PSWGHKXNQUGKKA-CZUORRHYSA-N 473.389 2.028 50 10 JEGE O=S(=O)(CC1(CBr)CC1)N1CC[C@@H](N2CCN(Cc3ccccc3)CC2)C1 2290035635 YXBVAMMYXBOGEY-LJQANCHMSA-N 456.450 2.383 50 10 JEGE O=C(C=Cc1ccc([N+](=O)[O-])cc1)NNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 2325888107 IWKILRPUOKYXTO-UHFFFAOYSA-N 453.480 2.106 50 10 JEGE Cc1c(C(=O)NNC(=O)COc2ccccc2)oc2c1/C(=N/NC(=O)c1cccnc1)CCC2 101605433 FCBBJUJCAAASRK-NLRVBDNBSA-N 461.478 2.293 50 10 JEGE CCOc1cccc(-c2c(C(=O)NN=Cc3ccc(OC)c(OC)c3)nnn2-c2nonc2N)c1 254555517 WKWJOOYEOWPVEF-UHFFFAOYSA-N 478.469 2.079 50 10 JEGE C#CCCCC(=O)NNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Br 1635718572 MEPYKSXKHXJPJI-UHFFFAOYSA-N 456.362 2.188 50 10 JEGE CC(=O)N[C@H](C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1)c1cccc(Br)c1 1638062897 IVXOPXPSARZQDK-GTNSWQLSSA-N 452.280 2.380 50 10 JEGE O=C(N1CCC[C@H]([C@@H]2CCCCN2S(=O)(=O)CI)C1)C(F)(F)F 2007708210 KVIJUDDDYZSTNZ-QWRGUYRKSA-N 468.279 2.364 50 10 JEGE CC(C)(C)OC(=O)N1C[C@@H]2CCCN(S(=O)(=O)N3CCC(Br)CC3)[C@H]2C1 2106774557 XXRNBJVXFNYBNY-ZFWWWQNUSA-N 452.415 2.422 50 10 JEGE CC(C)(CI)CN1CCN2C(=O)[C@H](NC(=O)OC(C)(C)C)C[C@H]2C1 2306820214 BOITWVYKPQFDCU-QWHCGFSZSA-N 451.349 2.257 50 10 JEGE COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2C)cc1 12502843 OJQWLSBLJFMACA-UHFFFAOYSA-N 452.330 2.481 50 10 JEGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NCCC2CCN(C)CC2)cc1 726771649 DVDYTSAOBQOCDE-HKWRFOASSA-N 464.570 2.189 50 10 JEGE N#CCCn1cc(/C=C(\C#N)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)c(-c2ccccc2)n1 920426359 FYNGAUBNDURSCP-PTMWEUFISA-N 458.522 2.221 50 10 JEGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)NC[C@]1(CBr)C[C@H]1C(F)(F)F 2017507944 NHRQJPGWJPTZLI-IUODEOHRSA-N 469.279 2.166 50 10 JEGE Cn1cc(Br)c(S(=O)(=O)NCCCCCCI)n1 2058150869 PEFTYXHDGJAQPB-UHFFFAOYSA-N 450.140 2.456 50 10 JEGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ncc(B(O)O)s1 2257377128 ASMIPALKUINSTA-OAQYLSRUSA-N 493.394 2.393 50 10 JEGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H](C)c1cscc1B(O)O 2268654189 WEXQOSFUXXRHHO-GQIGUUNPSA-N 476.404 2.446 50 10 JEGE O=C(/C=C\c1cccs1)NC(=S)NNC(=O)Cn1nnc(-c2cccc(Cl)c2Cl)n1 12368449 NSVIDMFNNSVQLG-SREVYHEPSA-N 482.378 2.444 50 10 JEGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)C1CC1 12571775 GVMNPHTWGGYONZ-UHFFFAOYSA-N 465.167 2.331 50 10 JEGE CCOC(=O)c1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2)cc1 14027362 AYNXWHPNQUBCNC-UHFFFAOYSA-N 451.273 2.231 50 10 JEGE Nn1c(SCCCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)nnc1-c1cccc([N+](=O)[O-])c1 58988109 NPIQHMGWFXFLOZ-SRZZPIQSSA-N 486.470 2.204 50 10 JEGE CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3OC)CC2)ccc1OCC(N)=O 96669705 HNDJPFDDHUEHQR-RGEXLXHISA-N 464.522 2.214 50 10 JEGE CCCN(CCC)Cc1c(C(=O)NN=Cc2ccc(OCC)cc2)nnn1-c1nonc1N 254346733 AWBOQMCLNZVPPV-UHFFFAOYSA-N 455.523 2.017 50 10 JEGE COc1ccccc1NC(=O)C(=O)NN=C1C(=O)N(CC(=O)Nc2cccc(C)c2)c2ccccc21 254386662 PEBFUYOEMDAJNT-UHFFFAOYSA-N 485.500 2.448 50 10 JEGE CCOc1ccc(OCC)c(NC(=S)NNC(=O)c2cccc(S(=O)(=O)NC)c2)c1 727496597 VGCXGUJNVGSSQV-UHFFFAOYSA-N 452.558 2.024 50 10 JEGE CC(=NNC(=O)[C@H](C)Nc1nc2ccccc2s1)c1ccc(S(=O)(=O)N2CCNCC2)cc1 730584253 RNRRASXWDJXXJF-INIZCTEOSA-N 486.623 2.231 50 10 JEGE CCCc1nn(C)c2c1[C@@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865687448 RLOUIJHHDGMNPD-NRFANRHFSA-N 453.543 2.310 50 10 JEGE COC(=O)[C@@H](I)CNS(=O)(=O)c1ccc(Br)cc1C 2141771187 YLAHWADNTKMMOH-VIFPVBQESA-N 462.103 2.012 50 10 JEGE CC(C)(C)OC(=O)N1CCn2nc(NS(=O)(=O)N3CCC(Br)CC3)cc2C1 2162599733 FZTIEHCDXKRKJZ-UHFFFAOYSA-N 464.386 2.150 50 10 JEGE Cc1cnc(O[C@]2(CNC(=O)OC(C)(C)C)CCCN(Cc3ccccc3)C2)cc1B(O)O 2231643357 OXTGRHRRHDBTCF-DEOSSOPVSA-N 455.364 2.008 50 10 JEGE O=C(NCCC(=O)N1CCc2cccc(B(O)O)c21)OCC1c2ccccc2-c2ccccc21 2248881853 BTTDTLPANDPNSG-UHFFFAOYSA-N 456.307 2.184 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H]2OCC[C@@]2(CBr)C1 2278886747 HSPCYRUJFGTNTO-FXAWDEMLSA-N 485.400 2.269 50 10 JEGE COc1ccc(/C(C)=N/NC(=O)CCCSc2nnc(-c3cccnc3)n2N)c(OC)c1 58991324 BRBIBUCLPTUNRK-ZVHZXABRSA-N 455.544 2.484 50 10 JEGE CC(C)N(CCOCCBr)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2108243826 NYMWXLOHVXITBW-IBGZPJMESA-N 493.395 2.463 50 10 JEGE Cc1c(B(O)O)cccc1C(=O)NCCCONC(=O)OCC1c2ccccc2-c2ccccc21 2255511769 OQBIVWYPRHRNOI-UHFFFAOYSA-N 474.322 2.265 50 10 JEGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)c(F)c1B(O)O 2268635378 QILVVPFKMBDFLU-ORAYPTAESA-N 464.274 2.082 50 10 JEGE CCc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 2296544524 VTOFPLLNHBMFKH-GOSISDBHSA-N 478.530 2.259 50 10 JEGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)N[C@H]3CCS(=O)(=O)C3)c(Oc3ccccc3F)nc12 3644258 IRPKWNNGCZKMFR-QZFKAFNDSA-N 482.493 2.145 50 10 JEGE O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=S)NC(=O)COc1ccc2ccccc2c1 12502642 JXPJCJLIDNDGHV-UHFFFAOYSA-N 454.464 2.228 50 10 JEGE O=C(Cc1ccc([N+](=O)[O-])cc1)NNc1ncnc(NNC(=O)c2ccccc2Cl)c1[N+](=O)[O-] 40658282 GQWBSHZYQUCXCI-UHFFFAOYSA-N 486.832 2.389 50 10 JEGE CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1ccc(OC(F)(F)F)cc1 102675938 CWBKGVPYPPBCEI-BPKVKKHESA-N 455.414 2.277 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCSC[C@@H]1CCBr 708351546 ZLYQUFYMFHRDJF-ZDUSSCGKSA-N 461.403 2.205 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N[C@H](CBr)CC(F)(F)F 717837069 YTSZTAUQTWSBGL-JTQLQIEISA-N 457.268 2.308 50 10 JEGE C=CCNS(=O)(=O)c1cc(C(=O)NNc2cc(Cl)nc3c2c(C)nn3C)ccc1F 1650670655 HNCDECOXLRSFGH-UHFFFAOYSA-N 452.899 2.290 50 10 JEGE Cn1ncc(C(=O)N2C[C@H](Br)C[C@]3(CCCO3)C2)c1I 1924292425 QSNFPSWNERYFJF-NOZJJQNGSA-N 454.106 2.183 50 10 JEGE CN(C1CC(CBr)C1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2018085150 LCDRSECUSMHKBU-PWGQDJSOSA-N 461.353 2.446 50 10 JEGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)N1CCCc2cc(B(O)O)ccc21 2284057603 BGYFFSXNSTUDDK-OAQYLSRUSA-N 468.359 2.146 50 10 JEGE C[C@H]1C[C@H]2[C@@H]3C[C@H](Br)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@]1(O)C(=O)CO 2333121698 BFZCSZWVWZIJCC-RITAIXIWSA-N 471.363 2.269 50 10 JEGE Cc1ccc(S(=O)(=O)NNc2ncnc(NNC(=O)c3cccc(Cl)c3)c2[N+](=O)[O-])cc1 40658579 DLGSRXFQOUSHAM-UHFFFAOYSA-N 477.890 2.409 50 10 JEGE COc1ccccc1CC(C)=NNC(=O)c1nnn(-c2nonc2N)c1CN(C)C1CCCCC1 254383786 LRCFPYZSYPFQIT-UHFFFAOYSA-N 481.561 2.354 50 10 JEGE CC1(C)[C@]2(C(=O)NNC(=O)[C@]34CC[C@](C)(C(=O)O3)C4(C)C)CC[C@@]1(C)C(=O)[C@@H]2Br 256019339 VPRQWOKOQBDRSW-GLBFEIIJSA-N 469.376 2.415 50 10 JEGE O=S1(=O)CC[C@H](C(CBr)(CBr)C[C@H]2CCCS2(=O)=O)C1 822170892 JNRUISFDUGEYCR-WDEREUQCSA-N 452.230 2.165 50 10 JEGE Cn1ncc2c(N3CCN(C(=O)/C(C#N)=C\c4cn(CCC#N)nc4-c4ccccc4)CC3)ncnc21 914466879 BWWQCAXVPQXDEN-ZHZULCJRSA-N 492.547 2.396 50 10 JEGE Cc1cc(C)nc(SCC(=O)NN=Cc2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)n1 1084301978 BONWCTCDYDLYDH-IBGZPJMESA-N 457.556 2.010 50 10 JEGE Cc1ccc(C)c(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)c1 1084358867 LZYGXDRNGGCQGJ-HXUWFJFHSA-N 452.511 2.066 50 10 JEGE CC(=O)c1cc(C(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)c(C)nc1C 1635520477 NLMXMZUGQGXREG-UHFFFAOYSA-N 457.962 2.133 50 10 JEGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1nc(B(O)O)ccc1Cl 2243685613 YJYSKSOMUXQULB-CYBMUJFWSA-N 465.702 2.281 50 10 JEGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H](C)c1cscc1B(O)O 2268654190 WEXQOSFUXXRHHO-TWOQFEAHSA-N 476.404 2.446 50 10 JEGE CC1(C)O[C@H]2CO[C@](O)(CO)[C@@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H]2O1 575627099 LYEYVIPMFIHSLX-DEJKCJRPSA-N 458.627 2.163 50 10 JEGE in-vitro CC(=O)N1CCN(c2ccc(C(=O)NNc3ccnc(C(F)(F)F)c3)cc2[N+](=O)[O-])CC1 1454525075 YRRJHDUXNZIJCJ-UHFFFAOYSA-N 452.393 2.434 50 10 JEGE C#C[C@H](NC(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1ccc(Cl)cc1)[C@H]1CCCO1 1616964077 MUDFCVZERCYEOA-XRHIAGSSSA-N 451.914 2.283 50 10 JEGE Cc1c(C(=O)NCCN2CCOCC2)oc2c1C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772745352 XEWGRVPGWNMJAA-UHFFFAOYSA-N 469.498 2.029 50 10 JEGE C[C@H](NC(=O)c1cnn(C)c1I)c1nnc(CBr)s1 1877571815 QOVLSNCHQNXVHY-YFKPBYRVSA-N 456.107 2.262 50 10 JEGE COc1ccccc1C(=O)N/N=C1\C(=O)N(CN2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2ccccc21 2416551 ZGADKRFPZPWUPQ-NTACVKCHSA-N 497.555 2.414 50 10 JEGE Cc1c(C(=O)NCCCN2CCOCC2)oc2c1C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772744323 CCYVTXCKFYZWIB-UHFFFAOYSA-N 483.525 2.419 50 10 JEGE O=C(O[C@@H](C(=O)O)[C@@H](OC(=O)c1ccccc1)C(=O)NCCCBr)c1ccccc1 1865972529 XASAREFBZVSBHF-IAGOWNOFSA-N 478.295 2.423 50 10 JEGE Cc1nc(I)c(NC(=O)/C=C/C(=O)Cl)c(I)n1 2020475629 YPTLCLFZLPQZPE-NSCUHMNNSA-N 477.427 2.254 50 10 JEGE O=S1(=O)CC[C@H](CC(CBr)(CBr)[C@H]2CCS(=O)(=O)C2)C1 2148767590 AUDKZRVZITUDAG-MNOVXSKESA-N 452.230 2.022 50 10 JEGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)c1cccc(B(O)O)c1 2248415431 ACRDEPWLYJMDSS-IAGOWNOFSA-N 458.323 2.471 50 10 JEGE CN1CCN(CCOC2(CI)CCN(C(=O)OC(C)(C)C)CC2)CC1 2255379765 QIQUFWFAXRLNDE-UHFFFAOYSA-N 467.392 2.455 50 10 JEGE CC(C)(C)OC(=O)NCC1(Oc2ccc(B(O)O)cc2C#N)CCN(Cc2ccccc2)CC1 2364743054 IDPNXWJCDLFZER-UHFFFAOYSA-N 465.359 2.176 50 10 JEGE COC(=O)C1CCN(c2ncnc(NNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2[N+](=O)[O-])CC1 40658680 MUOTTWFTSNSSJR-UHFFFAOYSA-N 479.837 2.093 50 10 JEGE C[C@@H]1[C@H](OC(=O)CCC(=O)NC(C)(C)CO)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@]42OO3 504028231 JQUKZDZVFSIJPC-WJLIEKRXSA-N 455.548 2.405 50 10 JEGE biogenic C=CCOc1ccc(CC(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1 1149649716 NKOZAXWWWGOELO-UHFFFAOYSA-N 456.974 2.413 50 10 JEGE Cc1c(CN2CCNCC2)cc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1B(O)O 1887506213 UTMDTOYTJPMYIB-UHFFFAOYSA-N 471.366 2.441 50 10 JEGE O=C(NCCOCCCI)c1cc(I)sn1 1983295082 NGDFSNVCQLXTHZ-UHFFFAOYSA-N 466.082 2.319 50 10 JEGE CCc1cc(B(O)O)ccc1NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2268653367 LZQKQDLCPHFRNM-HRAATJIYSA-N 456.348 2.366 50 10 JEGE CC(C)(C)OC(=O)N(CCNC(=O)c1ccc(B(O)O)c(C(F)(F)F)c1)OCc1ccccc1 2282252293 YBMXUEUMAQFBCH-UHFFFAOYSA-N 482.264 2.484 50 10 JEGE O=C(NCCC(=O)N1CCc2scc(B(O)O)c2C1)OCC1c2ccccc2-c2ccccc21 2299774008 LVTABQBUGZCTIW-UHFFFAOYSA-N 476.363 2.241 50 10 JEGE O=C(C=Cc1cccc([N+](=O)[O-])c1)NC(=S)NNC(=O)COc1ccc(Br)cc1 2313860873 UNCOZROZAHQOLX-UHFFFAOYSA-N 479.312 2.471 50 10 JEGE COCCOc1ccc(C=C(C#N)C(=O)Nc2cccc3c2CN([C@H]2CCC(=O)NC2=O)C3=O)cc1 2331123271 AIOZVZAVHUVGJK-QFIPXVFZSA-N 488.500 2.018 50 10 JEGE CC(C)Oc1ccccc1C(=O)NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 13623564 GAKFBHFPWFVTKY-KRWDZBQOSA-N 454.552 2.158 50 10 JEGE O=C(COc1ccc(Br)cc1Cl)NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 13629468 GXEVRWYBDUUGFC-LLVKDONJSA-N 470.707 2.270 50 10 JEGE COc1cc(/C=N/NC(=O)CCCSc2nnc(CCc3ccccc3)n2N)c([N+](=O)[O-])cc1O 58992157 HUFBVPRJLORTEP-ZVHZXABRSA-N 499.553 2.422 50 10 JEGE O=C(COC(=O)c1cc(-c2cccc(Cl)c2)no1)NNC(=O)[C@@H]1COc2ccccc2O1 728340994 VKNHYEXKXYHIMU-SFHVURJKSA-N 457.826 2.139 50 10 JEGE Cn1ncc(C(=O)N2C[C@@H](Br)C[C@]3(CCCO3)C2)c1I 1924292429 QSNFPSWNERYFJF-TVQRCGJNSA-N 454.106 2.183 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1C[C@H](CCBr)C1 2021783564 BWUGAQRQCSEHJZ-LXIYXOSZSA-N 461.353 2.494 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC[C@H]1COC[C@@H]1Br 2048708342 WYHDYSSXUMFBHV-BBRMVZONSA-N 473.389 2.028 50 10 JEGE O=C(OCc1ccccc1)N1C[C@H]2CC[C@H]1[C@H](Nc1ncc(Br)cc1B(O)O)C2 2231675946 ZKDQPPZFVJMQDE-QGTPRVQTSA-N 460.137 2.126 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1CC[C@@H]2C[C@@]21CBr 2310668600 PVLBSQBLGGTACA-GWMUQRIZSA-N 473.364 2.494 50 10 JEGE CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NNC(=O)c1nn(C)c(=O)c3ccccc13)O[C@H](C)C2 730516323 FKPWRCLRIYFEMK-FMEYXAORSA-N 462.506 2.220 50 10 JEGE Nn1c(SCC(=O)NN=Cc2cc([N+](=O)[O-])ccc2O)nnc1-c1ccc(Br)cc1 1083927849 QFZOQJIWLWBYNK-UHFFFAOYSA-N 492.315 2.278 50 10 JEGE C=CCOc1ccccc1OCC(=O)NNC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@H](C)C3 1865845196 MYEBHRQJWNRLNA-HNNXBMFYSA-N 482.562 2.374 50 10 JEGE COc1ccc(N2C[C@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1Cl 1872961027 HNSRCOPTUUALIL-HZPDHXFCSA-N 471.945 2.478 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC12CC(CBr)(C1)C2 2000538379 GTFJIUPJOKORSM-WWDZGPRUSA-N 459.337 2.248 50 10 JEGE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](NS(=O)(=O)N3CCC(Br)CC3)C[C@H]2C1 2106294888 AMHDMANJLFZIOK-AGGWBTHJSA-N 452.415 2.326 50 10 JEGE Cc1cc(Cl)c(B(O)O)cc1NC(=O)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2256671646 VWVASFIXUBCJSW-LJQANCHMSA-N 462.739 2.377 50 10 JEGE Cc1cc(CN(C)C(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)sc1B(O)O 2268634703 JOZLEPJASZIKSR-QFBILLFUSA-N 476.404 2.193 50 10 JEGE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)N1CCCc2cc(B(O)O)ccc21 2283935055 BGYFFSXNSTUDDK-NRFANRHFSA-N 468.359 2.146 50 10 JEGE Cc1ccc(OCC(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2)cc1 12503035 URGRXTJWTWBGFT-UHFFFAOYSA-N 452.330 2.237 50 10 JEGE COc1cc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc(OC)c1OC 12569909 SSTHKTIIUZVXRM-UHFFFAOYSA-N 472.523 2.010 50 10 JEGE COc1ccc(S(=O)(=O)N2CCOCC2)cc1N1CCN(C(=O)CCCCCCl)CC1 22350266 PBJYUEXXBCEXTN-UHFFFAOYSA-N 474.023 2.164 50 10 JEGE CCOC(=O)CN1C(=O)C(=NNC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc21 254392367 IQVCRPMOCCBLDC-UHFFFAOYSA-N 464.522 2.144 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCS[C@H](CBr)C1 720051283 MAZHZDVURZORHL-CYBMUJFWSA-N 475.430 2.451 50 10 JEGE O=C(NNC(=O)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1)c1cccc2cccnc12 729499165 ABWCQSWQOKCRDE-QGZVFWFLSA-N 471.514 2.171 50 10 JEGE O=C(NNC(=O)[C@H](Oc1ccc(F)c(Cl)c1)c1ccccc1)N[C@H]1CCS(=O)(=O)C1 730534838 PHKVEJCHEJNOKV-SUMWQHHRSA-N 455.895 2.117 50 10 JEGE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNc3ccc(F)cc3Cl)c2)CC1 1456701192 GPKLQIQCBYZENJ-UHFFFAOYSA-N 454.911 2.089 50 10 JEGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N[C@H](CCCl)COCc1ccccc1 1892523268 CJTBPHHVDYRXHC-QGZVFWFLSA-N 450.944 2.416 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2C[C@@]2(CBr)C1 2000544846 QFQISAMVXTUHNG-OCBCSQNSSA-N 459.337 2.057 50 10 JEGE C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)c1ccccc1I 14037889 DAVFCLNSGJGRAC-JTQLQIEISA-N 455.208 2.428 50 10 JEGE Cc1cc(=O)n(C(C)C)c(=S)n1C(=O)C1=C[C@@H]([N+](=O)[O-])[C@@H](Br)C([N+](=O)[O-])=C1 100844754 PXZZBYBVSQVLIA-ZWNOBZJWSA-N 459.278 2.418 50 10 JEGE CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccncc2)Cc2ccccc2)cc1 254507762 JGVGILANECBWAW-UHFFFAOYSA-N 465.535 2.381 50 10 JEGE CN1CCN(CCNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CC1 843756898 FJHBWIQLBDAPIT-CYVLTUHYSA-N 451.962 2.388 50 10 JEGE C=CCN1C(=O)c2ccc(C(=O)NNC(=O)c3ccc(OC)c(Br)c3)cc2C1=O 1530089543 FXRNHWHVWJYMOG-UHFFFAOYSA-N 458.268 2.315 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2C(CBr)[C@H]2C1 1943071103 SDKUUXBJZKFDQM-HZPDHXFCSA-N 455.374 2.211 50 10 JEGE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](NS(=O)(=O)N3CCC(Br)CC3)[C@H]2C1 2106294937 BDSUUVWPLAPEND-QEJZJMRPSA-N 452.415 2.326 50 10 JEGE CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)N2CCC(Br)CC2)CC2(CC2)C1 2106297111 WMVNQXKFTSCZIZ-AWEZNQCLSA-N 452.415 2.470 50 10 JEGE OB(O)c1cnc(Nc2cc(Br)c(I)c(Br)c2)nc1 2231675163 UHGLRSAUCNZXAI-UHFFFAOYSA-N 498.709 2.030 50 10 JEGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NS(=O)(=O)CBr)C1 2242034047 AAHFOOOUGNKFSE-UHFFFAOYSA-N 472.402 2.115 50 10 JEGE Cc1cc(B(O)O)c(CNC(=O)CCNC(=O)OCC2c3ccccc3-c3ccccc32)s1 2243909707 CPGUVVGWVGGVLH-UHFFFAOYSA-N 464.352 2.281 50 10 JEGE COc1ccc(C(=O)NNC(=S)NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1Br 12569889 SFIYDXFBCBAEHO-UHFFFAOYSA-N 498.355 2.433 50 10 JEGE COCCN(/C=C(/C#N)C(=O)NC(c1ccccc1)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 216977360 ICUCTZMRSZPKNS-LFPSXHGSSA-N 453.564 2.435 50 10 JEGE CC(=O)[C@H]1CC(C(=O)NNC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)=NN1c1ccccc1 1449364636 WCUAFROXHHDYRU-QFBILLFUSA-N 457.531 2.005 50 10 JEGE COc1ccc(-c2ccc(C(=O)NNC(=O)CN3C(=O)c4ccccc4C3=O)c(C)n2)cc1OC 1865758218 OSYNZLQLDJBSKB-UHFFFAOYSA-N 474.473 2.131 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2C[C@H]1C[C@@H]2Br 2004614786 AMUYEMWHXMRASZ-WWGRRREGSA-N 455.374 2.496 50 10 JEGE O=S1(=O)C[C@H](Br)[C@H](NS(=O)(=O)c2cc(Cl)c(Br)s2)C1 2121369460 SWZJITSQNUCSLJ-UJURSFKZSA-N 473.617 2.003 50 10 JEGE COc1ccc(NC(=O)C(C#N)=CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1OC 2324069865 MSEYMNAWZMTCHV-UHFFFAOYSA-N 470.551 2.365 50 10 JEGE COc1ccc(OC)c(NC(=O)C(C#N)=CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1 2325164912 SEYJQZUVGDCVDV-UHFFFAOYSA-N 470.551 2.365 50 10 JEGE COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C)cc2)cc1Br 12570438 YZJLLMLHCAQPGM-UHFFFAOYSA-N 452.330 2.481 50 10 JEGE COCCNC(=O)Cn1cc(/C=C(/C#N)C(=O)NC[C@H]2CCCO2)c2cc(Br)ccc21 59087160 YGRIZWLQWFFEQZ-IDGGIGOKSA-N 489.370 2.369 50 10 JEGE Nn1c(SCC(=O)NN=Cc2cc(Cl)ccc2O)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1083899664 IMGYTYVXECOIGZ-UHFFFAOYSA-N 492.861 2.077 50 10 JEGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)c1ccc(B(O)O)cc1 2248415190 WLEXJNBUJZEUCM-IRXDYDNUSA-N 458.323 2.471 50 10 JEGE CN(Cc1ccc(B(O)O)s1)C(=O)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2283985309 HSDRNUBZIQDBFK-DEOSSOPVSA-N 488.415 2.230 50 10 JEGE COc1nc(Oc2cccc(C=C(C#N)c3nn(CCO)c(N)c3C#N)c2)nc(N2CCCCC2)n1 2297553829 PZEMKRWOXTXQIU-UHFFFAOYSA-N 487.524 2.370 50 10 JEGE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]2CC[C@H]1N2S(=O)(=O)N1CCC(Br)CC1 2330486961 BYKRKEHNFVPHCH-VHDGCEQUSA-N 452.415 2.468 50 10 JEGE COc1ccc(/C=N/NC(=O)CCCSc2nnc(-c3ccccc3O)n2N)cc1OC 58987600 ALVGHWRCSYXTLD-YDZHTSKRSA-N 456.528 2.404 50 10 JEGE N#Cc1ccccc1OCC(=O)NN=C1C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 1084232543 MXOITBGMXLLZHR-UHFFFAOYSA-N 493.479 2.100 50 10 JEGE Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1C(=NNC(N)=S)CC(C)(C)C2 1772728943 CHKGLJNZRZZEEX-UHFFFAOYSA-N 458.500 2.081 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCS[C@@H](CBr)C1 2000540027 CSDIHAODUCAKOP-YVEFUNNKSA-N 479.393 2.153 50 10 JEGE CN(C[C@H]1C[C@H](Br)C1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2020240522 GDPHOGBLTXQCNH-SNUQEOBHSA-N 461.353 2.446 50 10 JEGE CCc1cc(B(O)O)ccc1NC(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2283950148 IBGIKRJYTKGDBT-VWLOTQADSA-N 467.375 2.037 50 10 JEGE O=C(Cc1cc(Br)cc(Br)c1)N[C@@H]1CS(=O)(=O)C[C@@H]1Br 2295310732 ASYUBDQFPFWHGR-WDEREUQCSA-N 490.011 2.431 50 10 JEGE COC(=O)c1ccc(C=NNC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 1084356271 QVUIYKNPSSXKSL-GOSISDBHSA-N 453.480 2.325 50 10 JEGE COC(=O)[C@H](CCNS(=O)(=O)c1ccc(CBr)cc1)NC(=O)OC(C)(C)C 1260514020 SUACEMYMVMKMBE-AWEZNQCLSA-N 465.366 2.316 50 10 JEGE CO[C@H]1C[C@@](CBr)(NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2077895384 TUVXXWWSMVMDFW-DHFPXDALSA-N 473.389 2.315 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@]2(C[C@H](Br)CO2)C1 2081999726 VOIQKHFGCPASHW-LIRRHRJNSA-N 471.373 2.021 50 10 JEGE CC(C)(C)OC(=O)N1[C@@H](CNS(=O)(=O)N2CCC(Br)CC2)COC1(C)C 2106304911 KCJWQIUMIQLASO-ZDUSSCGKSA-N 456.403 2.052 50 10 JEGE CC(C)(C)OC(=O)N[C@@H]1CCN(S(=O)(=O)c2ccc(CBr)cc2)C[C@H]1CO 2178898754 USRYUFGUYKBQOL-GOEBONIOSA-N 463.394 2.478 50 10 JEGE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ccc(CBr)cc2)[C@@H](S(C)(=O)=O)C1 2192675437 DMNMHOSVNDMFPW-GJZGRUSLSA-N 461.378 2.344 50 10 JEGE CC(C)(C)OC(=O)N1CC(N(OCc2ccccc2)C(=O)c2cc(Cl)ccc2B(O)O)C1 2255502204 WTFSSWOOOGMKIT-UHFFFAOYSA-N 460.723 2.213 50 10 JEGE O=C(c1ccc(I)cc1)N1C[C@@H]2OC[C@H](CBr)O[C@@H]2C1 2279908749 QCSGRRYCVXXEDO-RWMBFGLXSA-N 452.086 2.295 50 10 JEGE COc1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccc(C)c(Br)c1 12573221 PXKFWPUYJQEUGT-UHFFFAOYSA-N 452.330 2.481 50 10 JEGE Cc1cc(Br)ccc1OCC(=O)NC(=S)NNC(=O)c1ccccc1[N+](=O)[O-] 13976242 JNWONVUIXSZWIG-UHFFFAOYSA-N 467.301 2.380 50 10 JEGE O=C(CCC(=O)OCCCc1ccccc1)NC(=S)NNC(=O)c1cccc([N+](=O)[O-])c1 13999366 OYFYJRAYWNDAQO-UHFFFAOYSA-N 458.496 2.187 50 10 JEGE O=C(Cc1ccccc1)NNc1ncnc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1[N+](=O)[O-] 40659429 VFVUXGHAKDRKGW-UHFFFAOYSA-N 491.508 2.122 50 10 JEGE O=S1(=O)C[C@@H](Cl)[C@@H](NS(=O)(=O)c2c(Cl)cc(Br)cc2Cl)C1 157772548 NVHFPEVUGXXNSM-BDAKNGLRSA-N 457.582 2.439 50 10 JEGE C[C@@H](NC(=O)C(=O)OC(C)(C)C)C(=O)NNC(=O)OCC1c2ccccc2-c2ccccc21 205367931 JXHIFMNNRRRLOZ-CQSZACIVSA-N 453.495 2.403 50 10 JEGE COC(=O)c1ccc(S(=O)(=O)NNC(=O)c2cc(OC)ccc2Br)c(C)c1 728508170 IUHKOSSAAPPEHX-UHFFFAOYSA-N 457.302 2.176 50 10 JEGE CC(=O)c1cccc(OCc2cc(C(=O)NNc3ccccc3S(=O)(=O)N(C)C)no2)c1 1641979766 YMGZSJGVYKKMDZ-UHFFFAOYSA-N 458.496 2.463 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1C[C@H]2C[C@H]1C[C@@H]2Br 2046021835 FJBWOTULWAKVOL-CPNIXPECSA-N 473.364 2.492 50 10 JEGE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2NS(=O)(=O)N1CCC(Br)CC1 2106295229 FDXWLZVSKTUOJK-AWEZNQCLSA-N 452.415 2.470 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCCSCCCBr 2299176608 JJIUPJYWUJGNQW-QGZVFWFLSA-N 481.409 2.448 50 10 JEGE COc1ccc(C(=O)NNC(=S)NC(=O)/C=C/c2ccco2)cc1I 12572790 WBSVHHRSQZOLCC-FNORWQNLSA-N 471.276 2.242 50 10 JEGE CN1CCN(CN2C(=O)C(=NNC(=O)COc3cccc4ccccc34)c3ccccc32)CC1 254432473 NMHBWSDKPIBBMG-UHFFFAOYSA-N 457.534 2.291 50 10 JEGE CC(=O)N1CCN(Cc2ccccc2NC(=O)NNC(=O)COc2ccc(C)c(C)c2)CC1 1203467069 KVHHRXACVHYNLC-UHFFFAOYSA-N 453.543 2.199 50 10 JEGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)NCCN4CCOCC4)c(C)c32)cc1 1772745701 IORNTUAYCIGJMF-UHFFFAOYSA-N 454.527 2.129 50 10 JEGE COc1ccc(-c2ccc(C(=O)NNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)c(C)n2)cc1OC 1865758210 OJXTWYBRPTUQCI-UHFFFAOYSA-N 498.561 2.399 50 10 JEGE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)N1CCC(Br)CC1)C2 2106776322 GRZMUSLDTBEJEM-QEJZJMRPSA-N 452.415 2.468 50 10 JEGE Cc1sc(B(O)O)cc1C(=O)NC1(CNC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2281918546 SUIWGMHECATKLW-UHFFFAOYSA-N 487.431 2.026 50 10 JEGE CCOc1cc(C=C(C#N)C(=O)NCCc2ccc(OC)c(OC)c2)ccc1OCC(N)=O 2295266182 FDHVYYRAZLWLCU-UHFFFAOYSA-N 453.495 2.232 50 10 JEGE O=C(CNC(=O)[C@@H]1COc2ccccc2O1)N/N=C1/C(=O)N(CCc2ccccc2)c2ccccc21 100431811 QZEPNVXJLZWPMJ-HMBVOULASA-N 484.512 2.052 50 10 JEGE CCOc1cccc(-c2c(C(=O)NN=C(C)c3cccc([N+](=O)[O-])c3)nnn2-c2nonc2N)c1 254692797 YQKXZKLJTJCVJN-UHFFFAOYSA-N 477.441 2.360 50 10 JEGE COc1ccc(Br)cc1C=NNc1nc(SCC(=O)NNC(=O)C(C)(C)C)n[nH]1 1084311906 PPTBQUDOEMLFCU-UHFFFAOYSA-N 484.380 2.307 50 10 JEGE C#C[C@@H](NC(=O)NNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1)C(C)C 1682897698 WLWLAXGHOIVQGR-OAQYLSRUSA-N 456.568 2.418 50 10 JEGE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@]3(C)C[C@@H]3Br)CC2)cc1 1684131447 NLQDZABLGSPRRU-FUHWJXTLSA-N 458.378 2.079 50 10 JEGE Cc1ccc(-c2csc3ncn(CC(=O)NNS(=O)(=O)c4ccccc4[N+](=O)[O-])c(=O)c23)cc1 1860770485 KHHFDGKNVRGWGA-UHFFFAOYSA-N 499.530 2.351 50 10 JEGE CCc1cc2c(=O)n(CC(=O)NNC(=O)[C@@H]3CC(=O)N(c4c(CC)cccc4CC)C3)cnc2s1 1865845112 JEYSVGQASANOBW-QGZVFWFLSA-N 495.605 2.346 50 10 JEGE CC(C)(C)OC(=O)N1CC2(CCN(S(=O)(=O)N3CCC(Br)CC3)CC2)C1 2106774560 XYWPOSOJHWMWGF-UHFFFAOYSA-N 452.415 2.423 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)N2CCC(Br)CC2)C2(CC2)C1 2129398771 XNRFMGSCAIYZHN-AWEZNQCLSA-N 452.415 2.470 50 10 JEGE O=C(c1cccc(I)c1)N1C[C@@H]2OC[C@H](CBr)O[C@H]2C1 2279904563 FLZZUAUILBHNCB-AVGNSLFASA-N 452.086 2.295 50 10 JEGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)COC[C@@H]1NC(=O)OC(C)(C)C 2306409714 ZQCHNQDXXGUINY-ORAYPTAESA-N 481.637 2.229 50 10 JEGE N#CC(=CNc1ccc(I)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 2324879820 UOVPMSQLYFHHBU-UHFFFAOYSA-N 468.276 2.397 50 10 JEGE CCOc1ccc(C=CC(=O)NNC(=O)Cn2cnc3sc(CC)cc3c2=O)cc1OC 2325893982 ZRMVFIZSWOZXCA-UHFFFAOYSA-N 456.524 2.289 50 10 JEGE Cn1nc(Br)c(Br)c1C(=O)NC[C@H]1C[C@H](CBr)CO1 2338860728 MVXBPEQMTFQAMR-RNFRBKRXSA-N 459.964 2.475 50 10 JEGE CN(CC(=O)NNC(=O)COc1cccc(C(F)(F)F)c1)S(=O)(=O)/C=C\c1ccccc1 97995962 DSOYYRVEBORUBY-KHPPLWFESA-N 471.457 2.164 50 10 JEGE Cc1cc(C)c(C=NNC(=O)c2nnn(-c3nonc3N)c2-c2cccc([N+](=O)[O-])c2)c(C)c1 254302471 GTVIAOUKTOEBRX-UHFFFAOYSA-N 461.442 2.497 50 10 JEGE CC(C)(C)OC(=O)NC[C@]1(Oc2ccc(B(O)O)cc2C#N)CCCN(Cc2ccccc2)C1 2364742893 FWRVSMGPWOLUSZ-RUZDIDTESA-N 465.359 2.176 50 10 JEGE COc1ccccc1OCC(=O)NC(=S)NNC(=O)CCC(=O)Nc1cc(C)ccc1C 12571590 RIRIOMMBJDRRHD-UHFFFAOYSA-N 458.540 2.132 50 10 JEGE CCOc1ccc(/C=N/Nc2nc(SCC(=O)NNC(=O)c3ccc(F)cc3)n[nH]2)cc1 20923365 ZUUIPUUYQUIQAV-SSDVNMTOSA-N 457.491 2.342 50 10 JEGE COc1ccc(C(=O)NNC(=O)c2ccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2)cc1OC 21002181 FOEVORUVNOFUDS-UHFFFAOYSA-N 490.428 2.487 50 10 JEGE COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OC(=O)CCN1C(=O)c2ccccc2C1=O 207218262 MQHACSJMLLSJSZ-JXAWBTAJSA-N 489.484 2.053 50 10 JEGE COc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C\N1CCN(Cc2ccc3c(c2)OCO3)CC1 217231248 OFSJICAWKMCHCF-VKAVYKQESA-N 465.466 2.496 50 10 JEGE C=CC1(CC(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)CN(C(=O)OC(C)(C)C)C1 1584240291 FHNJBANEDNITQB-UHFFFAOYSA-N 450.561 2.384 50 10 JEGE CC(=O)c1oc2cc(C)ccc2c1CC(=O)N1CCN(S(=O)(=O)CBr)CC1 1631773356 UYKFUDWRBYLLRV-UHFFFAOYSA-N 457.346 2.313 50 10 JEGE Cc1ccc(S(=O)(=O)CCCC(=O)NNC(=O)c2sc(-c3cnccn3)nc2C)cc1 1865757389 ALXYZWZDCFVROT-UHFFFAOYSA-N 459.553 2.232 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H](CBr)OCC12CC2 2064046367 IUEKKSHXSGXWQY-AWEZNQCLSA-N 471.373 2.021 50 10 JEGE O=S(=O)(c1cncc(CBr)c1)N1C[C@H]2[C@@H](C1)OCCN2Cc1ccccc1 2283089213 BTYHCUDVEDFXOI-RBUKOAKNSA-N 452.374 2.250 50 10 JEGE COCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1cccs1 14662958 OAJMBRBKMQKMNR-UHFFFAOYSA-N 458.359 2.485 50 10 JEGE COc1cc(C=NNC(=O)c2c(C)nnn2-c2nonc2N)ccc1OCc1ccc(F)cc1 263621918 SMKWKTPOFGYJEO-UHFFFAOYSA-N 466.433 2.032 50 10 JEGE CN(C)c1ccc(C=NNC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1Br 1083960988 RAIPBCMXIOVMQM-UHFFFAOYSA-N 453.362 2.431 50 10 JEGE CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)NNC(=O)c2ccc(Br)cc2)C1 1338538419 KALWTQYCXPMRAZ-KRWDZBQOSA-N 459.300 2.408 50 10 JEGE Cn1c(=O)oc2cc(S(=O)(=O)NNC(=O)c3ccc(NC(=O)OC(C)(C)C)cc3)ccc21 1858081885 NROQTPUEJKEACG-UHFFFAOYSA-N 462.484 2.102 50 10 JEGE O=C(OCc1ccccc1)N1C[C@H]2CC[C@H]1[C@@H](NS(=O)(=O)CI)C2 1884479867 PMFSZFJSRTZHAM-KKUMJFAQSA-N 464.325 2.488 50 10 JEGE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)CI)CC[C@H]1C(F)(F)F 1983326714 DENUYSVELXEBMD-RKDXNWHRSA-N 472.267 2.486 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC1CC([C@@H](F)CBr)C1 2078359939 FXYQGBMWMADTKC-ICPAZYFDSA-N 479.343 2.442 50 10 JEGE O=C(NCCC(=O)N1CCc2c(B(O)O)cccc21)OCC1c2ccccc2-c2ccccc21 2248885732 LVIFQPPHQIGAMD-UHFFFAOYSA-N 456.307 2.184 50 10 JEGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1Br 14662134 XGNBNDIEOJUTGZ-UHFFFAOYSA-N 497.327 2.332 50 10 JEGE CCOc1cc(/C=N/Nc2nc(SCC(=O)NNC(=O)c3ccc(F)cc3)n[nH]2)ccc1O 20923705 HSBWYTGCUNTMCS-LSHDLFTRSA-N 473.490 2.047 50 10 JEGE CCCCOC(=O)c1ccccc1NC(=O)/C(C#N)=C\NCCc1ccc(S(N)(=O)=O)cc1 217240899 QGSBOTKATQQFJM-VLGSPTGOSA-N 470.551 2.469 50 10 JEGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1CSc1ccccc1)c1ccc(O)cc1 254763960 PKBLOUSRXSDVCF-UHFFFAOYSA-N 450.484 2.384 50 10 JEGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N[C@@H](CCCl)COCc1ccccc1 1892523267 CJTBPHHVDYRXHC-KRWDZBQOSA-N 450.944 2.416 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCC([C@@H](F)CBr)CC1 1999582887 FEVGRDSPBQTTHF-INIZCTEOSA-N 461.353 2.448 50 10 JEGE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(S(=O)(=O)N3CCC(Br)CC3)C[C@@H]21 2106771642 JVDVCFRTEQAMIY-AEGPPILISA-N 452.415 2.326 50 10 JEGE O=C(c1ccc(I)cc1)N1C[C@@H]2OC[C@H](CBr)O[C@H]2C1 2279908747 QCSGRRYCVXXEDO-AVGNSLFASA-N 452.086 2.295 50 10 JEGE CCN(C=C(C#N)C(=O)Nc1ccc(I)cc1C)[C@H]1CCS(=O)(=O)C1 2325406512 WGIIIVDHFMJMRC-HNNXBMFYSA-N 473.336 2.455 50 10 JEGE O=C(NC(=S)NNC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1I 12501527 NDCBSXLKPGKRLC-UHFFFAOYSA-N 470.248 2.149 50 10 JEGE CCOc1ccc(Br)cc1C(=O)NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 13629912 QAMHTAYGEOTBPN-LBPRGKRZSA-N 450.289 2.251 50 10 JEGE O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1Cl)c1ccc(I)c(Br)c1 721573433 RHYGWXFPELYYKJ-WCBMZHEXSA-N 478.533 2.188 50 10 JEGE C=CCNC(=S)NNC(=O)Cc1cc(Br)cc(I)c1 1618601122 SDBBPUUTTDFJPC-UHFFFAOYSA-N 454.131 2.278 50 10 JEGE C[C@H](C(=O)NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)n1cnc2sc3c(c2c1=O)CCCC3 1860772141 SIPLPKWXHIOQTF-SNVBAGLBSA-N 486.466 2.175 50 10 JEGE CCc1cc2c(=O)n(CC(=O)NNC(=O)c3ccccc3I)cnc2s1 1865845268 OYURDJCJIYAEGX-UHFFFAOYSA-N 482.303 2.086 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCO[C@@H](CCBr)C1 2052685760 BHSKDRDIFKDOSI-HNNXBMFYSA-N 473.389 2.269 50 10 JEGE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)c2ccc(CBr)cc2)[C@@H]2COC[C@@H]12 2163051965 YGOQNNSZMZZHNP-ARFHVFGLSA-N 461.378 2.494 50 10 JEGE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(B(O)O)c(F)c1F 2268635214 ORETWJIXNJKQPN-DJJJIMSYSA-N 464.274 2.082 50 10 JEGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2c(N3CCC(C(N)=O)CC3)nc3c(C)cccn3c2=O)cc1 4456110 WHOALMSTRMKUNK-ZHZULCJRSA-N 491.573 2.351 50 10 JEGE COc1ccc(C(=O)NNC(=S)NC(=O)COc2ccccc2C)cc1Br 12503243 PLHMKVYQEREBPW-UHFFFAOYSA-N 452.330 2.481 50 10 JEGE O=S1(=O)CC[C@H](C(CBr)(CBr)C[C@@H]2CCCS2(=O)=O)C1 822170889 JNRUISFDUGEYCR-QWRGUYRKSA-N 452.230 2.165 50 10 JEGE N#CCCn1cc(/C=C(/C#N)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)c(-c2ccccc2)n1 920426362 FYNGAUBNDURSCP-YEMUAQJGSA-N 458.522 2.221 50 10 JEGE Nn1c(SCC(=O)NN=Cc2c[nH]c3ccccc23)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084436313 NEIDEORGTOSWAQ-UHFFFAOYSA-N 481.454 2.199 50 10 JEGE CCc1cc2c(=O)n(CC(=O)NNC(=O)Cc3ccc(Br)s3)cnc2s1 1860770779 XDMSXZIFYNKKFV-UHFFFAOYSA-N 455.359 2.235 50 10 JEGE COC(=O)[C@H](I)CNC(=O)c1cc(Br)ccc1[N+](=O)[O-] 2185667788 HICCZBHNSXWAMV-MRVPVSSYSA-N 457.018 2.064 50 10 JEGE C[C@@H](NC(=O)C(C#N)=CN(CCN(C)C)[C@@H]1CCS(=O)(=O)C1)C12CC3CC(CC(C3)C1)C2 2324904208 KQXQFYQAQXQWTN-MGZXRVKKSA-N 462.660 2.166 50 10 JEGE NNC(=O)[C@@H]1CC[C@H](COCc2cc(I)ccc2Br)O1 2367269208 RSKWHUNLFPOMAE-PWSUYJOCSA-N 455.090 2.108 50 10 JEGE Cn1cc(C(=O)NNC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)c2ccccc21 10737062 KXHVLJGKOCFQPF-UHFFFAOYSA-N 491.367 2.456 50 10 JEGE O=C(NNc1ncnc(NCCN2CCOCC2)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 40659374 GBAGJKVTEPALQL-UHFFFAOYSA-N 477.525 2.404 50 10 JEGE O=C(NN=Cc1cccc([N+](=O)[O-])c1)c1cccc(C(=O)NN=Cc2cccc([N+](=O)[O-])c2)n1 252607162 GYRFLZPUNLQWGA-UHFFFAOYSA-N 461.394 2.426 50 10 JEGE CCOc1ccccc1C=NNC(=O)c1nnn(-c2nonc2N)c1CN(C)c1ccccc1 254399932 XEAWYAPAXVZSHC-UHFFFAOYSA-N 461.486 2.032 50 10 JEGE COc1cccc(NCC(=O)NNC(=O)C2CCN(C(=O)N(C)Cc3ccccc3)CC2)c1 728208350 RYBWHBOJOFMPMG-UHFFFAOYSA-N 453.543 2.219 50 10 JEGE CCOC(=O)c1ccc(NC(=O)C(=O)NN=Cc2cc3c(cc2Br)OCO3)cc1 1084425781 DPDYCDFKVKHQCM-UHFFFAOYSA-N 462.256 2.443 50 10 JEGE CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(O)c(OC)c1 1565518776 CFZPOXZWZUFNNF-QFIPXVFZSA-N 482.493 2.121 50 10 JEGE C=CCn1nc(C)c(-c2cc(C(=O)NNc3ccc(S(=O)(=O)NC4CC4)cc3)n[nH]2)c1C 1626371601 DSTXYLTXBDKUSD-UHFFFAOYSA-N 455.544 2.274 50 10 JEGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(Cc3ccc(Cl)cc3)C2)C1 1872963160 ZLJCAEOYYJNANR-ZWKOTPCHSA-N 455.946 2.465 50 10 JEGE Cn1ncc(Br)c1S(=O)(=O)NCCSSCCNC(=O)OC(C)(C)C 2061263087 YYXFDHQUTFZVSG-UHFFFAOYSA-N 475.456 2.367 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@@H](CBr)OCC12CC2 2064046368 IUEKKSHXSGXWQY-CQSZACIVSA-N 471.373 2.021 50 10 JEGE C[C@H](O)CN(CCNS(=O)(=O)c1ccc(CBr)cc1)C(=O)OC(C)(C)C 2106295606 JCSYPKUGYWOVBF-ZDUSSCGKSA-N 451.383 2.478 50 10 JEGE CC(C)(C)OC(=O)N1CCC2(CC(NS(=O)(=O)N3CCC(Br)CC3)C2)C1 2106303122 RFWGDNLUUDASDD-UHFFFAOYSA-N 452.415 2.470 50 10 JEGE Cc1csc(C(=O)NC2(CNC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)c1B(O)O 2282444823 ZLWVROIZRIRDSR-UHFFFAOYSA-N 487.431 2.026 50 10 JEGE O=C(NC1(C(=O)Nc2nc(B(O)O)ccc2Cl)CC1)OCC1c2ccccc2-c2ccccc21 2302682156 ZOLVNMPOKIBARS-UHFFFAOYSA-N 477.713 2.425 50 10 JEGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1c(F)cccc1B(O)O 2339880580 GWQOYSOECXIFMS-RUZDIDTESA-N 490.340 2.482 50 10 JEGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1 13630236 YLTWNYSENCQHGF-MRXNPFEDSA-N 458.540 2.143 50 10 JEGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)COc2ccccc2OC)c(Br)c1 13979157 HZYANJPQLYSCDB-UHFFFAOYSA-N 496.383 2.500 50 10 JEGE CCOC(=O)c1sc2ncnc(NNC(=O)[C@H](C)N3C(=O)c4ccccc4C3=O)c2c1C 96469950 RGJXPPHGCIJBNZ-NSHDSACASA-N 453.480 2.304 50 10 JEGE COC(=O)[C@@H](I)CNC(=O)c1csc(I)c1 234598301 ZAPQAUNNICRWPP-LURJTMIESA-N 465.050 2.059 50 10 JEGE O=C(NCCCN1CCCS1(=O)=O)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12 726276703 KKTGFCVHSJTEIB-UHFFFAOYSA-N 467.551 2.271 50 10 JEGE Cn1ncc(C(=O)N2C[C@@H](Br)[C@H](Br)C2)c1I 1897060688 MPUINWKMPZSTNB-RNFRBKRXSA-N 462.911 2.008 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H]1CC[C@H](Br)C1 2000540408 FFQLLTAEYKXGPY-LXIYXOSZSA-N 461.353 2.494 50 10 JEGE Cc1nc(I)c(I)n1Cc1cccc(C(=O)NN)c1 2088987311 IEUFWPSNLXXTOU-UHFFFAOYSA-N 482.063 2.053 50 10 JEGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2sc(B(O)O)cc2C1 2248414861 QLLXHEYMIMDGOV-HNNXBMFYSA-N 476.363 2.240 50 10 JEGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1C[C@@H]2C[C@H](CBr)C[C@@H](C2)C1 2303482156 FLXFDZUYKXGAIM-QDMKHBRRSA-N 455.374 2.355 50 10 JEGE CCOC(=O)c1ccccc1N/C=C1/C(=O)N(CCCN2CCCC2=O)C(=O)C(C#N)=C1C 102676023 SFJSDJHIOSPYGI-XDJHFCHBSA-N 450.495 2.380 50 10 JEGE CN1CCN(CN2C(=O)C(=NNC(=O)COc3ccc4ccccc4c3)c3ccccc32)CC1 254288199 DJYZQWKVOJSJFV-UHFFFAOYSA-N 457.534 2.291 50 10 JEGE O=S(=O)(N[C@H]1CN(Cc2ccccc2)C[C@H]1C(F)F)N1CCC(Br)CC1 1878728058 WJVDNZQCHOUTPO-CVEARBPZSA-N 452.365 2.446 50 10 JEGE CN(C)[S@](=O)(=NC(=O)[C@H]1C[C@H](Br)C1)N1CCN(C(=O)OC(C)(C)C)CC1 1887760848 QMJJASLOVAVKPL-DFMVQKSTSA-N 453.403 2.099 50 10 JEGE O=C(N[C@@H]1[C@H]2C[C@H]1N(S(=O)(=O)N1CCC(Br)CC1)C2)OCc1ccccc1 1999494755 QEDMENRGRPLIQV-USXIJHARSA-N 458.378 2.090 50 10 JEGE CC(C)(C)OC(=O)N1CCCC2(C1)CN(S(=O)(=O)N1CCC(Br)CC1)C2 2106777877 XQZSBBISTZPKEG-UHFFFAOYSA-N 452.415 2.423 50 10 JEGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ncc(B(O)O)s1 2257377127 ASMIPALKUINSTA-NRFANRHFSA-N 493.394 2.393 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H]1CCOC[C@@H]1Br 2316816498 APFVRVIIQIBVJU-DLBZAZTESA-N 473.389 2.315 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H]1COC[C@@H]1CBr 2316825211 QWWSZSQRUBTSJV-YOEHRIQHSA-N 473.389 2.172 50 10 JEGE CN(NC(=O)c1cc(I)ccc1Br)S(=O)(=O)C1CC1 2339716799 KJHLYWMKMMTDCZ-UHFFFAOYSA-N 459.103 2.123 50 10 JEGE CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@@H](C(=O)NNC(=O)c2ccccc2F)C(C)C)c1 16043340 URRPJXYGHHXNCS-HXUWFJFHSA-N 492.573 2.072 50 10 JEGE Cc1ccc(N2C(=O)[C@@H](/C=N/NC(=O)CC[C@@H](O)c3ccccc3)C(=O)NC2=S)cc1C 100101876 BJMWVUCVEIUKDT-ATRRSMNPSA-N 452.536 2.283 50 10 JEGE O=C(COc1ccccc1)NCC(=O)NN=C1C(=O)N(CCc2ccccc2)c2ccccc21 254380360 AUTQBLLDTMCHPU-UHFFFAOYSA-N 456.502 2.291 50 10 JEGE O=C(N1C[C@@H](CO)CN(Cc2ccccc2)C[C@H]1CI)C(F)(F)F 697674923 RNEUWUNRENBMKF-UONOGXRCSA-N 456.246 2.305 50 10 JEGE O=C(NN=C1C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21)c1ccc([N+](=O)[O-])cc1 1084641957 VXCISENGOXVTCV-UHFFFAOYSA-N 483.440 2.372 50 10 JEGE COc1ccc(C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1OC 1860769651 BWAPVNFASDHKEP-LBPRGKRZSA-N 456.524 2.061 50 10 JEGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1cc(B(O)O)cs1 1901485133 HIEVCIJBUODIKF-QFIPXVFZSA-N 464.352 2.361 50 10 JEGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](OCC2CC(S(C)(=O)=O)C2)C1 1905179859 OZDLDCKYPWREIP-IFWUJCSASA-N 459.346 2.249 50 10 JEGE CC(C)(C)OC(=O)N1C[C@@H]2CN(S(=O)(=O)N3CCC(Br)CC3)C[C@]2(C)C1 2106772831 IISIDDSTFGHTPT-DYVFJYSZSA-N 452.415 2.279 50 10 JEGE O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1Br)c1cc(Cl)ccc1I 2121336108 DXLBLGBMQZJYBC-WCBMZHEXSA-N 478.533 2.235 50 10 JEGE O=C1CN(C(=O)c2cc(I)ccc2F)CCN1CCBr 2171083745 UGDXTGCEFNUBDB-UHFFFAOYSA-N 455.065 2.110 50 10 JEGE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ncc(B(O)O)c(C)n1 2268651881 QWNUPCBHNVEZKB-CMJOXMDJSA-N 488.353 2.357 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)Nc2ccc(F)cc2B(O)O)C1 2283983482 KOOGPAYGWIQUCM-DEOSSOPVSA-N 472.322 2.288 50 10 JEGE CC(C)(C)OC(=O)NCCSSCCN[C@@]1(C(=O)O)COC[C@H]1NC(=O)OC(C)(C)C 2306409715 ZQCHNQDXXGUINY-YJYMSZOUSA-N 481.637 2.229 50 10 JEGE CC(=O)[C@H]1CC(C(=O)NNC(=O)COc2ccccc2Br)=NN1c1ccccc1 1537019492 ATRUJBHFZCBVNA-QGZVFWFLSA-N 459.300 2.199 50 10 JEGE COCCN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)S(=O)(=O)CI 1983327700 PHOGFDJRIQPUDE-LBPRGKRZSA-N 462.350 2.057 50 10 JEGE CC(C)[C@H](Br)C(=O)N=[S@@](=O)(N(C)C)N1CCN(C(=O)OC(C)(C)C)CC1 2106590657 JHONEWOUQOJTQL-WHDAMIPWSA-N 455.419 2.345 50 10 JEGE Cn1ncc(C(=O)N2CCO[C@@H]3C[C@H](CBr)C[C@H]32)c1I 2199763414 UYDWDBJYFKHFRW-FBIMIBRVSA-N 454.106 2.039 50 10 JEGE CCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)/C=C/c2ccc(OCC)cc2)cc1 13621191 BMKSSNUEPVKINY-VGOFMYFVSA-N 471.535 2.376 50 10 JEGE COc1ccc(OC)c(/C=N/Nc2nc(SCC(=O)NNC(=O)c3ccc(Cl)cc3)n[nH]2)c1 20923790 LVHGVWXVZCSREA-LSHDLFTRSA-N 489.945 2.475 50 10 JEGE O=C(CCCNC(=O)c1ccc([N+](=O)[O-])cc1)N/N=C1\C(=O)Nc2ccc(Br)cc21 38249365 AQDHHGYPYGVDQA-UHFFFAOYSA-N 474.271 2.340 50 10 JEGE O=C(N/N=C/C=N/NC(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(N2CCCC2=O)cc1 59463500 UYWBJBXQLAUPBR-BKHCZYBLSA-N 460.494 2.072 50 10 JEGE O=C(O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1O 249922911 VXLADYQBBOPTRE-DZRDUMEESA-N 459.090 2.373 50 10 JEGE CN(C)c1ccc(N2C(=N/C=C(/C#N)C(=O)NCc3ccco3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 254913845 YKPRLWIICIYNIW-DYHZXHTNSA-N 485.591 2.144 50 10 JEGE COc1ccc(N(CC(=O)NN=Cc2ccncc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 1084388518 FYNJJAXPDDKOCW-UHFFFAOYSA-N 484.534 2.453 50 10 JEGE C#C[C@@H](CO)NC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(OC(F)F)c(OC)c1 1625165255 IOVLNZUSWKALFI-KAKTVLCNSA-N 455.421 2.091 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CCBr)C1CC1 2000540201 DJJUNAJPQLWNJQ-QAPCUYQASA-N 461.353 2.494 50 10 JEGE C[C@@H](Br)CN1CCCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)CC1 2120332359 VNKGLQXFJAAKIM-MRXNPFEDSA-N 486.432 2.184 50 10 JEGE CN(CC1CC(Br)C1)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O 2197731956 FZCDPFWUOJLVGG-RUXDESIVSA-N 467.426 2.431 50 10 JEGE C[C@H](NC(=O)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)c1cscc1B(O)O 2283952767 MBIOVHJFESLPSZ-KRWDZBQOSA-N 487.431 2.165 50 10 JEGE COc1ccccc1OCC(=O)NC(=S)NNC(=O)COc1ccc(Br)c(C)c1 12571694 FOKBFUIWESZRSX-UHFFFAOYSA-N 482.356 2.246 50 10 JEGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1 13630237 YLTWNYSENCQHGF-INIZCTEOSA-N 458.540 2.143 50 10 JEGE COc1ccccc1C(=O)NCC(=O)N/N=C1/C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21 100289112 CCGAXQUIZOILRB-RMLRFSFXSA-N 486.484 2.221 50 10 JEGE COc1ccccc1/C=C/C=NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 254307118 KJDIREQAXSHEFW-IIGMHIQPSA-N 456.568 2.125 50 10 JEGE O=C(NNS(=O)(=O)c1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1)c1c(Cl)cccc1Cl 727796030 BWOWFOGQPDBOLP-JTQLQIEISA-N 472.306 2.054 50 10 JEGE C=CC(=O)Nc1ccc(C(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)cc1 1545432834 NYBMZISLEKVNEE-UHFFFAOYSA-N 455.946 2.043 50 10 JEGE COc1ccc([C@H](C)N2C[C@@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1 1872960579 FFPZQPJODCCFCL-SXLOBPIMSA-N 465.554 2.382 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2C[C@H](C[C@H]2Br)C1 2046023899 WFDBAPFYFCVLNV-FKPWOLHESA-N 473.364 2.446 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H]1CCCN(CCBr)C1 2089698062 HEHUDCLAZKGIGS-MRXNPFEDSA-N 486.432 2.232 50 10 JEGE C=C[C@@]1(CBr)COCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2135118490 AAKAKACBZYFTSW-HXUWFJFHSA-N 485.400 2.435 50 10 JEGE O=C(NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1)c1ccc(B(O)O)c(Cl)c1 2266939501 ZMQFOHYKZAVBJW-UHFFFAOYSA-N 464.758 2.221 50 10 JEGE Cc1cc(CN(C)C(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)sc1B(O)O 2268653004 JOZLEPJASZIKSR-QFBILLFUSA-N 476.404 2.193 50 10 JEGE COc1ccc(OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCCc2ccccc2)cc1 13999170 NKBXHQGGPQJZCI-UHFFFAOYSA-N 473.551 2.052 50 10 JEGE O=C(NNc1ncnc(N2CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 40611584 PZOLRGCLSORIKW-UHFFFAOYSA-N 478.469 2.372 50 10 JEGE COc1ccc(C(=O)NNc2ncnc(NNC(=O)c3ccc(Br)cc3)c2N)cc1 40784514 URMGIGOQGHLANG-UHFFFAOYSA-N 472.303 2.344 50 10 JEGE CC(=O)N[C@@](C)(C(=O)NNc1ccccc1OC(F)(F)F)c1ccc(S(C)(=O)=O)cc1 1556300923 LXULIOBTJXXKOB-GOSISDBHSA-N 459.446 2.483 50 10 JEGE O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 1865851992 MKIBEMYZIANZEL-UHFFFAOYSA-N 461.887 2.360 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H](Br)C(F)(F)C1 1946667592 COPZHWWYXCPNAY-CQSZACIVSA-N 465.316 2.497 50 10 JEGE CC1(C)CN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)[C@@H]1CBr 2000539352 AENOVPVGRPAXKE-RDTXWAMCSA-N 461.353 2.446 50 10 JEGE COC1(CBr)CCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)CC1 2029233037 OHKIHWYWDHLNGW-UHFFFAOYSA-N 473.389 2.269 50 10 JEGE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1C=C(C#N)C(=O)N[C@H]1CCS(=O)(=O)C1 2296720276 IAROLLMCTXKTEU-KRWDZBQOSA-N 494.529 2.014 50 10 JEGE COC(=O)c1cccc(C(=O)NC(=S)NNC(=O)c2ccc(C)c(Br)c2)c1 10294153 AZQQGKURLSXEKQ-UHFFFAOYSA-N 450.314 2.493 50 10 JEGE O=C1NCCC[C@H]1C(=O)N/N=C1\C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 59158731 IAXWDMGMVYSSGA-PHFYZZCHSA-N 469.339 2.385 50 10 JEGE Cc1ccc(NC(=O)CN2C(=O)C(=NNC(=O)CNC(=O)c3ccccc3)c3ccccc32)cc1 252607517 HCEXQPDTHNTZLD-UHFFFAOYSA-N 469.501 2.231 50 10 JEGE C/C(C=NNC(=O)c1nnn(-c2nonc2N)c1CN(C)C1CCCCC1)=C/c1ccco1 254593410 LGOKNQFRUDBWMJ-NDBCLQIESA-N 453.507 2.409 50 10 JEGE Nc1cc(N)nc(SCC(=O)NN=Cc2cc(Br)c(O)c(Br)c2)n1 1083967906 GCPLRIAVEBJOKI-UHFFFAOYSA-N 476.154 2.114 50 10 JEGE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)COc1ccccc1Br 1643659475 ZUFMSFPRGBBWDJ-AWEZNQCLSA-N 454.321 2.282 50 10 JEGE COc1ccccc1OCC(=O)NNC(=O)[C@H](C)n1cnc2sc3c(c2c1=O)CCCC3 1860771838 JBSVBNUFIUBIQC-ZDUSSCGKSA-N 456.524 2.133 50 10 JEGE Cn1cc(Br)c(S(=O)(=O)NCCSSCCNC(=O)OC(C)(C)C)n1 2061262792 UKCMPBFSMOXXAH-UHFFFAOYSA-N 475.456 2.367 50 10 JEGE Cc1cc(B(O)O)c(C(=O)NCCCONC(=O)OCC2c3ccccc3-c3ccccc32)s1 2247786118 WDMNKHSPKJFOOM-UHFFFAOYSA-N 480.351 2.327 50 10 JEGE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)Nc1cc(B(O)O)c(Cl)cn1 2263279177 DFMDUJAJZGUVTH-UHFFFAOYSA-N 472.779 2.025 50 10 JEGE O=C(Cc1ccc([N+](=O)[O-])cc1)NNc1ncnc(NNC(=O)c2cccc(Cl)c2)c1[N+](=O)[O-] 40658578 FSXPOICHNXWXPE-UHFFFAOYSA-N 486.832 2.389 50 10 JEGE C[C@H](Cc1ccc(Br)cc1)NC(=O)NNC(=O)C1CCN(c2ncccn2)CC1 728949147 NWQYSCNSKRSTJZ-CQSZACIVSA-N 461.364 2.417 50 10 JEGE COc1ccc(Br)cc1C=NNC(=O)CSc1nnc(-c2ccncc2)n1N 1084427155 PLOKTIBXOHMNLH-UHFFFAOYSA-N 462.333 2.067 50 10 JEGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Cl)ccc1B(O)O 2256619650 AKIGAANNJXUKHP-IFXJQAMLSA-N 462.739 2.457 50 10 JEGE CCOc1cc(/C=N/NC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)ccc1OCc1ccccc1 169925122 SYHVSVKOPMWGCB-AFUMVMLFSA-N 450.495 2.432 50 10 JEGE CS(=O)(=O)CCCCC(CBr)(CBr)[C@@H]1CCS(=O)(=O)C1 706360084 VJEUWTSRSLZISY-LLVKDONJSA-N 454.246 2.412 50 10 JEGE O=C(COc1ccc(C=NNC(=O)C(=O)NCc2ccccc2)cc1)NCCc1ccccc1 725415112 UCDKYHCPBZLHGW-UHFFFAOYSA-N 458.518 2.191 50 10 JEGE O=C(NN=C1C(=O)N(CN2CCOCC2)c2ccccc21)c1c(F)c(F)c(F)c(F)c1F 1084047938 IFMINZAVEVAPHH-UHFFFAOYSA-N 454.355 2.153 50 10 JEGE COC(=O)[C@H](I)CNC(=O)c1ccc(C)c(I)c1 2217859880 XAIQPBUQMCGMRX-SNVBAGLBSA-N 473.048 2.306 50 10 JEGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCc2ccc(B(O)O)cc21 2283954813 AWMRRRORESKMOE-HTAPYJJXSA-N 468.359 2.144 50 10 JEGE CC(C)CNC(=O)/C(C#N)=C\N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(N(C)C)cc1 254309265 NDQMUIYPDOLYEX-WMVPIZEASA-N 461.613 2.007 50 10 JEGE O=C(Cn1nnc(-c2ccccc2)n1)NN=C1C(=O)N(CCc2ccccc2)c2ccccc21 254815758 DLTJQHCDAUUGJR-UHFFFAOYSA-N 451.490 2.450 50 10 JEGE C[C@H](Sc1n[nH]c(NN=Cc2ccc(Br)cc2)n1)C(=O)NNC(=O)C1CCC1 1084408134 DNAKKPHGCAWXIC-JTQLQIEISA-N 466.365 2.441 50 10 JEGE C=CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cc(-c3cc(C)ccc3C)[nH]n2)cc1 1567129639 YAUDCSNIWZQNSU-UHFFFAOYSA-N 453.524 2.233 50 10 JEGE CNS(=O)(=O)c1ccc(C=CC(=O)NNC(=O)CSc2cccc3cccnc23)cc1 2040490028 RYIHBFHIKIRFSI-UHFFFAOYSA-N 456.549 2.096 50 10 JEGE CC(C)(C)OC(=O)N1CCN(CCCCCI)[C@@H]2CS(=O)(=O)C[C@@H]21 2214697467 QHSSHPIGTBSALJ-KGLIPLIRSA-N 472.389 2.310 50 10 JEGE CN(C[C@@]1(Oc2nccc(B(O)O)c2F)CCCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C 2286405100 OUFNIWAGGRQJEE-DEOSSOPVSA-N 473.354 2.181 50 10 JEGE COC(=O)[C@@H](CBr)NS(=O)(=O)c1cc(Br)ccc1Br 2343383944 JXEVQOGMSDFJBF-MRVPVSSYSA-N 479.972 2.426 50 10 JEGE O=C(Cc1ccc([N+](=O)[O-])cc1)NNc1ncnc(Nc2ccc3c(c2)OCO3)c1[N+](=O)[O-] 40584343 DCDWXLNAMDCHAT-UHFFFAOYSA-N 453.371 2.451 50 10 JEGE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)N/N=C/c1cnn(CCOC)c1 59913923 IJQBDEYGWCWHDU-WYMPLXKRSA-N 468.587 2.470 50 10 JEGE COC(=O)[C@H](I)CNC(=O)c1csc(I)c1 234602218 ZAPQAUNNICRWPP-ZCFIWIBFSA-N 465.050 2.059 50 10 JEGE C=CCN1C(=O)c2ccc(C(=O)NNc3ccccc3S(=O)(=O)NC(C)(C)C)cc2C1=O 1566606854 XTLKSBYNZHIDKA-UHFFFAOYSA-N 456.524 2.302 50 10 JEGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1C(=NNC(N)=S)CCC2 1772750525 WAEGFCLGVWCRII-UHFFFAOYSA-N 464.345 2.299 50 10 JEGE Cc1ccc(SCC(=O)NNC(=O)CCc2nc(=O)c3cnn(-c4ccccc4)c3[nH]2)cc1 12673260 NDWIJVAUUDZJOE-UHFFFAOYSA-N 462.535 2.290 50 10 JEGE C=CCN1C(=O)/C(=N\NC(=O)[C@@H](CCSC)N2C(=O)c3ccccc3C2=O)c2ccccc21 105801638 GMYPITHXFBDMHU-XZSXMJNUSA-N 462.531 2.457 50 10 JEGE Cn1c(CC(=O)NNC(=O)C=Cc2ccc(S(=O)(=O)NCc3ccco3)cc2)nc2ccccc21 2040444736 QNDGGKQOAAUFLR-UHFFFAOYSA-N 493.545 2.048 50 10 JEGE CC(C)(C)OC(=O)NC[C@@]12CC[C@H]1CN(S(=O)(=O)N1CCC(Br)CC1)C2 2136672431 IPQTZVWANNSZBF-SUMWQHHRSA-N 452.415 2.327 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H]1COC[C@@H]1CBr 2316825208 QWWSZSQRUBTSJV-WMLDXEAASA-N 473.389 2.172 50 10 JEGE Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1N1CCC(C(=O)O)CC1 40795614 ZOQBJYJQKUKJJM-UHFFFAOYSA-N 455.302 2.189 50 10 JEGE CCOc1c(Br)cc(C=NNC(=O)CN2CCOCC2)cc1I 1083980832 FLTUYBONHMCCNX-UHFFFAOYSA-N 496.143 2.235 50 10 JEGE COC(=O)c1ccc(C=NNC(=O)C2=C(C)NC(=S)N[C@H]2c2cccc([N+](=O)[O-])c2)cc1 1084162791 IUUSMJMVHNCLFC-SFHVURJKSA-N 453.480 2.325 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H]2C[C@H](Br)C[C@H]2C1 2012874566 BSTXXGGDKQXGOR-FICVDOATSA-N 455.374 2.498 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@@H]([S@@](C)(=O)=NS(=O)(=O)N2CCC(Br)CC2)C1 2106776414 HPSPQAAAQHFVRD-YMXBGEKHSA-N 474.443 2.198 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](F)C[C@H](Br)C1 2213908293 SXRKEXPNYZDSLQ-PRXAMGSTSA-N 465.316 2.148 50 10 JEGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1cnc(B(O)O)s1 2257377085 AJZIBBHXUDQBJM-QFIPXVFZSA-N 493.394 2.393 50 10 JEGE COc1cc2ncn(CCCC(=O)NNC(=O)c3cn(C)c4ccccc34)c(=O)c2cc1OC 10165910 KHMBAWIECCNXOF-UHFFFAOYSA-N 463.494 2.147 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@H]2C[C@H](Br)CC[C@H]2C1 703958865 WFHXFBLECBDYPO-RRFJBIMHSA-N 455.374 2.498 50 10 JEGE CC(=O)c1ccc(S(=O)(=O)CC(=O)NNC(=O)c2cc3c(s2)CC[C@@H](C)C3)cc1F 1540343679 STAQOSZAJQKELJ-LLVKDONJSA-N 452.529 2.450 50 10 JEGE O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NNS(=O)(=O)c1ccc(F)cc1 1860770835 YSDRKGDTJQCPLY-UHFFFAOYSA-N 458.496 2.274 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC=C[C@H]1CBr 2011250876 JFGQAEUQYAVRSC-SCLBCKFNSA-N 459.337 2.366 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCO[C@@H]2C[C@H](Br)C[C@@H]21 2128873384 XWAXSZWMAWOGKI-FHLIZLRMSA-N 485.400 2.409 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1C[C@H]2CNS(=O)(=O)N1CCC(Br)CC1 2140681126 GZHDCXZRJKMMMK-CFVMTHIKSA-N 452.415 2.326 50 10 JEGE O=S(=O)(N1CCC(Br)CC1)N1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21 2162208612 DARAMDYFUDQOGS-MOPGFXCFSA-N 458.422 2.066 50 10 JEGE N#CC(=Cc1c(N2CCC3(CC2)OCCO3)nc2ccccn2c1=O)S(=O)(=O)c1ccccc1 2314435429 BMIZNATXASTWOF-UHFFFAOYSA-N 478.530 2.376 50 10 JEGE Cn1cc(I)c(CC(CCl)(CCl)[C@@H]2CCS(=O)(=O)C2)n1 2367586582 NPBWIHPAHKIMDH-SECBINFHSA-N 451.157 2.466 50 10 JEGE Cc1cccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2I)c1 12501575 SXEBKUTZLRQQHG-UHFFFAOYSA-N 469.304 2.314 50 10 JEGE Cc1cc(OCC(=O)NC(=S)NNC(=O)COc2ccccc2)ccc1Br 12573390 IZQZGPMDNVQFQX-UHFFFAOYSA-N 452.330 2.237 50 10 JEGE Cc1ccc(/C=N\NC(=O)c2nonc2C(=O)N/N=C/c2ccc(C)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 59465424 MIOCCQRVRRLSPZ-CHQRTDLRSA-N 480.397 2.031 50 10 JEGE COc1ccc(N(CC(=O)NN=Cc2cc(Br)c(C)o2)S(C)(=O)=O)c(OC)c1 252625966 QTEMFJLSMOYBSU-UHFFFAOYSA-N 474.333 2.284 50 10 JEGE C[C@@H]1CO[C@H](CBr)CN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703963617 BORKICGIQTWCFK-ZIAGYGMSSA-N 473.389 2.123 50 10 JEGE O=C(NN=C1C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21)c1ccc(O)cc1 1084414358 ZLOMNSAPHAAUMX-UHFFFAOYSA-N 454.442 2.169 50 10 JEGE C=CCCC1(CNC(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CCCC1 1674373043 XWNYEVBERGWKSL-UHFFFAOYSA-N 450.609 2.170 50 10 JEGE C[C@@H]1CCc2c(sc3ncn(CC(=O)NNS(=O)(=O)c4ccccc4Cl)c(=O)c23)C1 1860770680 RKPXALYYZLHLMY-LLVKDONJSA-N 466.972 2.246 50 10 JEGE CC(C)(C)OC(=O)N1CCC(OCCCNS(=O)(=O)CI)CC1 1983326621 CJWIUTMSUORIHI-UHFFFAOYSA-N 462.350 2.105 50 10 JEGE CO[C@@H]1C[C@@H](NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1Br 2067187395 CWBAUEJDZWQWJW-RRQGHBQHSA-N 473.389 2.313 50 10 JEGE CC(C)(C)OC(=O)N1CC([C@H]2CCN(S(=O)(=O)N3CCC(Br)CC3)C2)C1 2106776687 KQVKCZHQHRZQCK-ZDUSSCGKSA-N 452.415 2.279 50 10 JEGE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCc2ccc(B(O)O)cc21 2283978339 AWMRRRORESKMOE-JTSKRJEESA-N 468.359 2.144 50 10 JEGE N#CC(=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)NCc1ccccc1 2324893136 CUFSHDOWJXYSSA-UHFFFAOYSA-N 460.943 2.497 50 10 JEGE COc1ccc(/C(C)=N/Nc2nc(SCC(=O)NNC(=O)c3ccc(F)cc3)n[nH]2)cc1 20923681 LQPKZILPKSBFKP-FSJBWODESA-N 457.491 2.342 50 10 JEGE O=C(CNC(=O)[C@H]1COc2ccccc2O1)N/N=C1/C(=O)N(CCc2ccccc2)c2ccccc21 100431815 QZEPNVXJLZWPMJ-DNWZRLGZSA-N 484.512 2.052 50 10 JEGE C=C(C)[C@@H]1OCC[C@@H]1C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2OC)c1 1290080065 AIIRVVWZZROKJR-PXNSSMCTSA-N 459.524 2.238 50 10 JEGE C=CCOc1ccc(/C=C/C(=O)N2CCN(S(=O)(=O)CBr)CC2)cc1OC 1566975555 QSEBYAPKNBWPES-FNORWQNLSA-N 459.362 2.100 50 10 JEGE CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)CI)CC(F)(F)C1 1910108901 SWYWVTPYYWAGFE-UHFFFAOYSA-N 454.277 2.287 50 10 JEGE COc1cc(/C=N/NC(=O)CN2CCOCC2)cc(Cl)c1OCc1ccc2c(c1)OCO2 59246748 VYLVEMYVAPZXIA-BHGWPJFGSA-N 461.902 2.439 50 10 JEGE O=C(NC[C@@H](NS(=O)(=O)CI)C(F)(F)F)OCc1ccccc1 1881749879 MVPNYQQJXDLEPI-SNVBAGLBSA-N 466.219 2.156 50 10 JEGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2cccc(B(O)O)c2C1 2256604471 CLRDIUIYLGOLLA-QGZVFWFLSA-N 470.334 2.178 50 10 JEGE Cc1c(C(=O)NCCN2CCOCC2)oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 40812144 XEWGRVPGWNMJAA-XIEYBQDHSA-N 469.498 2.029 50 10 JEGE Cc1ccc(NC(=O)CN2C(=O)C(=NNC(=O)C(=O)NCc3ccccc3)c3ccccc32)cc1 254476076 ZYOIZXCEWGQDEJ-UHFFFAOYSA-N 469.501 2.117 50 10 JEGE CC(C)Oc1ccc(S(=O)(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1860770585 OLHYUXVSIKDLHC-AWEZNQCLSA-N 490.607 2.380 50 10 JEGE CO[C@@](C)(CBr)CNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942090132 UPBROXAHUVWPLQ-SFHVURJKSA-N 461.378 2.172 50 10 JEGE O=S(=O)(NCCn1cc(I)cn1)c1ccc(CBr)cc1 2153498335 DHDDOSCGUKYHFQ-UHFFFAOYSA-N 470.130 2.361 50 10 JEGE CN(C[C@]1(Oc2cc(B(O)O)c(Cl)cn2)CCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C 2277619362 XWUSYLMGPCZABP-HSZRJFAPSA-N 475.782 2.305 50 10 JEGE O=C(Cn1c(O)nc2ccccc2c1=O)NN=Cc1cc(Br)c(O)c(Br)c1 2328808944 FJCGAGHEBKICHI-UHFFFAOYSA-N 496.115 2.483 50 10 JEGE Cc1cc(C(=O)NCCS(=O)(=O)CCBr)ccc1I 2335767885 RLJYGPWBFVAOEJ-UHFFFAOYSA-N 460.131 2.139 50 10 JEGE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NNC(=O)Cc2nc3ccccc3n2C)CC1 727364890 HECMXTIBWBRAMX-UHFFFAOYSA-N 462.554 2.227 50 10 JEGE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NNC(=O)c2nnc(O)c3ccccc23)CC1 727364905 HRYORJJEABPQJR-UHFFFAOYSA-N 462.510 2.060 50 10 JEGE C=CCONC(=O)NNC(=O)Cc1csc(=NCc2ccco2)n1-c1cccc(OC)c1 1251131034 YKOYHQMDICEDOX-UHFFFAOYSA-N 457.512 2.232 50 10 JEGE COC(=O)[C@H](I)CNC(=O)c1cc(C)ccc1I 2224012865 QOESTTOIKYVINA-SNVBAGLBSA-N 473.048 2.306 50 10 JEGE COc1ccc(NC(=O)C2(NC(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc1B(O)O 2319284780 PPQVMKCCQBKOCH-UHFFFAOYSA-N 472.306 2.385 50 10 JEGE O=C(/C=C/c1ccccc1Cl)NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 13623424 AYYJTUSESNAUQZ-DVQDXYAYSA-N 456.955 2.424 50 10 JEGE CC(C)(C)OC(=O)N1C[C@@H](C(=O)NC[C@H]2C[C@@H](Br)C2)S(=O)(=O)C(C)(C)C1 1892657621 KBXNGCPHWVBVNS-XQQFMLRXSA-N 453.399 2.089 50 10 JEGE C[C@]1(NS(=O)(=O)N2CCC(Br)CC2)CCN(C(=O)OCc2ccccc2)C1 1999277080 TWBGXZLBKGJBDR-SFHVURJKSA-N 460.394 2.481 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@H](NS(=O)(=O)c2ccc(CBr)cc2)C1 2172898170 BNRPZGBXWQQBBG-GDBMZVCRSA-N 463.394 2.478 50 10 JEGE C[C@@]12CN(Cc3ccccc3)C[C@H]1CN(S(=O)(=O)c1cnn(CCBr)c1)C2 2179818438 ZNZXBGZPHVVELZ-HKUYNNGSSA-N 453.406 2.421 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1C[C@H](CBr)[C@@H]2C[C@H]12 2309224216 QCVLMFOOXDLKLE-BYAHARSUSA-N 473.364 2.350 50 10 JEGE NNC(=O)[C@H]1CCC[C@@H](COc2cc(Br)cc(I)c2)O1 2364066734 PALKWDZQLARMID-CMPLNLGQSA-N 455.090 2.360 50 10 JEGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2)cc1Br 14662096 QFIMXEGJIANBKF-UHFFFAOYSA-N 482.356 2.189 50 10 JEGE O=C(CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)NNC(=O)c1ccc(Br)s1 28633856 IIKVMCSCEDGNHN-UHFFFAOYSA-N 487.339 2.327 50 10 JEGE CCN(CC)c1ccc(C=NNC(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1 254799951 BEYPLVLKIABMCF-UHFFFAOYSA-N 451.527 2.094 50 10 JEGE CCN(CCBr)CCC[C@@H](C)NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O 2083653650 DALVBFAYFWSNQS-OAHLLOKOSA-N 474.421 2.088 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@H]1COC2(CCC2)[C@@H]1Br 2085559013 CPVLMPAOQODSMX-JKSUJKDBSA-N 471.373 2.067 50 10 JEGE O=C(NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1)c1scc(B(O)O)c1Cl 2255525044 XQKQOOQCBFHBSS-UHFFFAOYSA-N 470.787 2.283 50 10 JEGE COc1ccccc1OCC(=O)NNC(=S)NC(=O)COc1ccc(C)cc1Br 12571142 CPSMLVODDMCISL-UHFFFAOYSA-N 482.356 2.246 50 10 JEGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2cccc(C)c2)cc1Br 14662120 QNBAVMYFDIPAPD-UHFFFAOYSA-N 496.383 2.497 50 10 JEGE N#C/C(=C/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(F)cc1)C(=O)NCc1ccco1 102696176 KAUAVNXJOQEGNM-UGPHYALOSA-N 474.539 2.213 50 10 JEGE CC(=O)N1CCN(c2ccc(C(=O)NNC(=O)c3cc4ccccc4o3)cc2[N+](=O)[O-])CC1 1126627270 ORNCWWXXDMWZCD-UHFFFAOYSA-N 451.439 2.084 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1CC[C@@H]2C[C@@]21CBr 2068384628 PVLBSQBLGGTACA-LOWRVKSDSA-N 473.364 2.494 50 10 JEGE O=C(NC1(C(=O)N2CCc3cccc(B(O)O)c3C2)CC1)OCC1c2ccccc2-c2ccccc21 2341624594 YGIHCMKHOOWMAQ-UHFFFAOYSA-N 482.345 2.322 50 10 JEGE COc1ccc(C(=O)NNC(=O)COc2ccccc2[N+](=O)[O-])cc1I 14025784 ZLRPAMNVDWAZKS-UHFFFAOYSA-N 471.207 2.048 50 10 JEGE C=CCS(=O)(=O)CCNC(=O)NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1 1685844014 HEPKDRKVPVZUBZ-UHFFFAOYSA-N 451.932 2.464 50 10 JEGE Cc1c(C(=O)NNC(=O)c2ccncc2)oc2c1C(=NNS(=O)(=O)c1ccccc1)CCC2 1772749610 WOPMPUOHIUGXLZ-UHFFFAOYSA-N 467.507 2.077 50 10 JEGE COC(=O)[C@@H](I)CNC(=O)c1c(F)cccc1I 2255925463 FLLUODHTIAGSHI-QMMMGPOBSA-N 477.011 2.137 50 10 JEGE C[C@H](c1cc(B(O)O)cs1)N(C)C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2284060574 PCAHYEOXBXNSEC-MZNJEOGPSA-N 487.431 2.117 50 10 JEGE COc1ccc(C=C(C#N)C(=O)Nc2cccc3c2CN([C@H]2CCC(=O)NC2=O)C3=O)cc1OC 2329702878 FIIXQRDYOSTEET-IBGZPJMESA-N 474.473 2.010 50 10 JEGE CC(C)(C)OC(=O)NCC1(Nc2ccc(B(O)O)cc2C#N)CCN(Cc2ccccc2)CC1 2364747788 CRBJKAQRBVOAJU-UHFFFAOYSA-N 464.375 2.209 50 10 JEGE COc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc(C)cc2)cc1Br 12503025 HSKTYSWVURZVGR-UHFFFAOYSA-N 452.330 2.481 50 10 JEGE O=C(COc1ccc(Br)cc1Cl)NNS(=O)(=O)c1ccccc1[N+](=O)[O-] 13977947 PXLVQXHALLWQDW-UHFFFAOYSA-N 464.681 2.399 50 10 JEGE COCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1cccc(C)c1 14662970 KBYXITGFYLZEHR-UHFFFAOYSA-N 496.383 2.497 50 10 JEGE COC(=O)c1ccc(C(=O)OC)c(N/C=C(/C#N)C(=O)N2CCN(Cc3ccccc3)CC2)c1 217257340 BHPLDLIHPFQPIX-SILNSSARSA-N 462.506 2.424 50 10 JEGE O=C(N1C[C@@H](CO)CN(Cc2ccccc2)C[C@@H]1CI)C(F)(F)F 697674907 RNEUWUNRENBMKF-KBPBESRZSA-N 456.246 2.305 50 10 JEGE Cc1ccn2c(C(=O)NNC(=O)Cn3cnc4sc5c(c4c3=O)CC[C@H](C)C5)c(C)nc2c1 1860770065 RFNOVQWFAQOYMD-LBPRGKRZSA-N 464.551 2.309 50 10 JEGE C[C@@H]1C[C@H]1N(CCBr)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2002036462 YQGPISWWPHUGTA-DWQUBVKVSA-N 461.353 2.446 50 10 JEGE Cn1c(=O)c(NCCSSCCNC(=O)OC(C)(C)C)c(N)n(Cc2ccccc2)c1=O 2061262427 OJEKCTKJKVMCGX-UHFFFAOYSA-N 481.644 2.496 50 10 JEGE CO[C@@H]1C[C@H](NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1Br 2067187396 CWBAUEJDZWQWJW-XOKHGSTOSA-N 473.389 2.313 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2CC[C@H](CCl)O[C@H]2C1 2289334599 FPBHXVYHBIODTI-DAYGRLMNSA-N 454.976 2.357 50 10 JEGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O 2314795782 PQSXLRQSVVSLLO-INIZCTEOSA-N 489.484 2.051 50 10 JEGE O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c12 727707295 FFLCPFHZNDDQBP-CYBMUJFWSA-N 458.471 2.102 50 10 JEGE COc1cc([N+](=O)[O-])cc(C=NNC(=O)c2cc([N+](=O)[O-])c(N3CCCC3)c([N+](=O)[O-])c2)c1O 1084544629 NCJVROLUTPJYLC-UHFFFAOYSA-N 474.386 2.490 50 10 JEGE O=C(NNC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1)c1cc(Br)c[nH]1 1087991461 KLQQWHBMZJFLAH-MRXNPFEDSA-N 457.284 2.399 50 10 JEGE O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1Br)c1ccc(I)c(Cl)c1 2121339335 ZADPAHKJOWNWKA-OIBJUYFYSA-N 478.533 2.235 50 10 JEGE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)c2ccc(CBr)cc2)[C@@H]2COC[C@H]12 2163051966 YGOQNNSZMZZHNP-BZUAXINKSA-N 461.378 2.494 50 10 JEGE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](NS(=O)(=O)c3ccc(CBr)cc3)[C@H]2C1 2178138661 ZEVKIYKPADDCLR-OAGGEKHMSA-N 461.378 2.494 50 10 JEGE COC(=O)[C@@H](I)CNC(=O)c1ccc(C)c(I)c1 2217859879 XAIQPBUQMCGMRX-JTQLQIEISA-N 473.048 2.306 50 10 JEGE CCN1C(=O)/C(=N/NC(=O)CCNC(=O)c2ccccc2Br)c2cc(OC)ccc21 33959351 NWVDCWXVHKNJPL-NCELDCMTSA-N 473.327 2.465 50 10 JEGE Cn1cc(C(=O)NN=CC2=C(N3CCOCC3)/C(=C\c3ccc([N+](=O)[O-])cc3)CC2)ccc1=O 254793600 SHROIUXTOSXMGU-OSLRKFFBSA-N 463.494 2.473 50 10 JEGE CCOc1cccc(-c2c(C(=O)NN=Cc3ccc(OC)cc3OC)nnn2-c2nonc2N)c1 254844004 FNJOWZRYDSZDHV-UHFFFAOYSA-N 478.469 2.079 50 10 JEGE COc1ccc(/C=C/C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1865851673 FYLKWGNYWDOPBL-XYYIANASSA-N 452.536 2.452 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@]2(C)C[C@]2(CBr)C1 2046803378 SPEYSROXQYEOIJ-QYZOEREBSA-N 473.364 2.448 50 10 JEGE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](NS(=O)(=O)N3CCC(Br)CC3)[C@H]2C1 2106294934 BDSUUVWPLAPEND-AEGPPILISA-N 452.415 2.326 50 10 JEGE CC(C)N(CCOCCBr)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2108243827 NYMWXLOHVXITBW-LJQANCHMSA-N 493.395 2.463 50 10 JEGE CC(C)(C)OC(=O)N1CC2(C1)CS(=O)(=O)CCN2C(=O)[C@H](Br)C1CCCC1 2183497633 OMHBQBFABHITHI-CQSZACIVSA-N 465.410 2.187 50 10 JEGE O=C(c1sccc1I)N1C[C@@H]2OC[C@@H](CBr)O[C@H]2C1 2265141775 JYYFSNYATMPLTH-JEZHCXPESA-N 458.115 2.356 50 10 JEGE O=C(CCC(=O)NNc1nc2ccccc2c2nc(-c3ccccc3)nn12)NC[C@@H]1CCCO1 20286914 XXTPCCXOGUVNJS-KRWDZBQOSA-N 459.510 2.463 50 10 JEGE Cc1c(C(=O)NNC(=O)COc2ccccc2)oc2c1/C(=N/NC(=O)c1ccncc1)CCC2 101604824 LGUORIRARDVKAO-NLRVBDNBSA-N 461.478 2.293 50 10 JEGE CCC[C@@H]1C[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@H]3OC(C)(C)O[C@@H]23)N(C)C1 102213749 HCPHMGDEJJICGS-MPAVNMDISA-N 465.056 2.188 50 10 JEGE in-vitro Cc1cc(C=NNC(=O)CN2CCOCC2)c(C)n1-c1cccc(I)c1 1084374015 FFTSGNPTOFEFDU-UHFFFAOYSA-N 466.323 2.481 50 10 JEGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3C)ccc1OCCN1CCOCC1 1865687535 UCIJYFLOTWDBPB-QGZVFWFLSA-N 479.459 2.377 50 10 JEGE CCN(CCOCCBr)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1942096019 YVJSLTBYWONSOO-UHFFFAOYSA-N 461.378 2.126 50 10 JEGE CC[C@@H]1CN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@H]1Br 2000534498 VYDBMFBZEJHIHI-DWQUBVKVSA-N 461.353 2.446 50 10 JEGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2I)cc1 14657081 JZFSZUBOWBOPRH-UHFFFAOYSA-N 499.330 2.266 50 10 JEGE COC(=O)C1CCN(c2ncnc(NNC(=O)c3ccccc3Br)c2[N+](=O)[O-])CC1 40658386 AAOPGSOGGFPLEG-UHFFFAOYSA-N 479.291 2.294 50 10 JEGE O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C1/C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 59147118 GRADNCKDWFILRU-WEMUOSSPSA-N 497.467 2.301 50 10 JEGE O=S(=O)(NNC(=S)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(CCl)o1 1615948039 BRKXXOUDNRSPCQ-UHFFFAOYSA-N 493.032 2.373 50 10 JEGE C[C@@H](Br)C(=O)Nc1c(I)ncnc1I 1884879129 CDYAVHJSSRBWHF-GSVOUGTGSA-N 481.857 2.408 50 10 JEGE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@@H](NS(=O)(=O)N1CCC(Br)CC1)C2 2106303812 YMMIXWRYZUDQOO-QEJZJMRPSA-N 452.415 2.468 50 10 JEGE Cn1ncc(C(=O)N2C[C@@H]3OCCC[C@@]3(CBr)C2)c1I 2239178816 GMCBDMCCXMHXAN-GXFFZTMASA-N 454.106 2.041 50 10 JEGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ncc(B(O)O)cc1F 2256594868 DUTMJVXZNVZJKF-QFIPXVFZSA-N 477.301 2.402 50 10 JEGE O=C(NOCCCNC(=O)c1c(F)cc(B(O)O)cc1F)OCC1c2ccccc2-c2ccccc21 2266860068 NXDKHHWSGFTWFE-UHFFFAOYSA-N 496.275 2.235 50 10 JEGE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)NCc1sc(Cl)cc1B(O)O 2320683269 DVENHXIVVVMJPF-HNNXBMFYSA-N 482.795 2.198 50 10 JEGE COc1sc(SC)cc1C=NNC(=O)c1nnn(-c2nonc2N)c1-c1ccccc1 254817021 ODQVNUYHIRKBAD-UHFFFAOYSA-N 456.513 2.455 50 10 JEGE CC(C)(C)OC(=O)NCc1nc2c(s1)CCN(S(=O)(=O)CI)C2 1983328339 WIQCUIQXFHSMOS-UHFFFAOYSA-N 473.358 2.248 50 10 JEGE CC(N)=C(C#N)C(=O)COC(=O)c1cccnc1SCC(=O)Nc1ccc2c(c1)OCO2 2040417259 XZLBLFMVMVWIAP-UHFFFAOYSA-N 454.464 2.023 50 10 JEGE O=C(c1cc(I)ccc1O)N1C[C@@H]2OC[C@@H](CBr)[C@@H]2C1 2178083564 SNXUWYNDDJHSDF-WLTAIBSBSA-N 452.086 2.479 50 10 JEGE C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCc2cc(B(O)O)ccc21 2283973949 WVOLGNKGFSVSCI-VGSWGCGISA-N 468.359 2.144 50 10 JEGE C[C@@H](c1cscc1B(O)O)N(C)C(=O)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2284144529 ZAIYASYWVJUHDB-KRWDZBQOSA-N 488.415 2.401 50 10 JEGE CC(C)(C)OC(=O)N1CC2(C1)CS(=O)(=O)CCN2C[C@]1(CBr)CC1(F)F 2351888634 JQKFFBNFVMJCJQ-CQSZACIVSA-N 459.353 2.127 50 10 JEGE CCOCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)CC)cc1 9826167 REQVFFDKROFLNR-UHFFFAOYSA-N 458.540 2.400 50 10 JEGE O=C(CSc1n[nH]c(N/N=C/c2cc(Br)ccc2O)n1)NNC(=O)c1ccccc1 59815936 BBFILIMPRJWCGY-AWQFTUOYSA-N 490.343 2.272 50 10 JEGE C=C[C@](C)(O)CC(=O)NNC(=O)CCN1CCN(C(c2ccccc2)c2ccccc2)CC1 1540458775 CXVQBFFMYQBTTL-SANMLTNESA-N 450.583 2.258 50 10 JEGE C#CCOc1ccc(C(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)cc1 1624901376 QJXSKXDNMDATRZ-UHFFFAOYSA-N 452.474 2.475 50 10 JEGE CO[C@H]1C[C@H](Br)CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2046663182 FQPFVSXLJNRRAD-GJZGRUSLSA-N 473.389 2.267 50 10 JEGE COCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)N1CCC(Br)CC1 2163056022 NKTMOGIFMRHVCE-HNNXBMFYSA-N 470.430 2.048 50 10 JEGE Cc1c(NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)ccc(B(O)O)c1Cl 2256678389 DAVVYERZVWJYPX-SFHVURJKSA-N 462.739 2.377 50 10 JEGE CC(C)(C)OC(=O)NCCC1(Oc2cc(B(O)O)c(F)cn2)CCN(Cc2ccccc2)CC1 2370030228 VGJIURRTSABZKD-UHFFFAOYSA-N 473.354 2.229 50 10 JEGE CC(C)(CCl)C(=O)N1CCN(c2nc(CN3CCN(c4ccccc4F)CC3)cc(=O)[nH]2)CC1 35926281 CFWLNPIYCMOVFU-UHFFFAOYSA-N 491.011 2.145 50 10 JEGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc([N+](=O)[O-])cc2)c(OC)c1 40877943 FLCZXFZLZSATMR-LFIBNONCSA-N 455.423 2.257 50 10 JEGE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNc3cc(Cl)nc(C)n3)CC2)cc1 1570436393 XPRMNNBHBISXMY-UHFFFAOYSA-N 451.936 2.185 50 10 JEGE C[C@H](C(=O)NNC(=O)c1ccc(F)c([N+](=O)[O-])c1)n1cnc2sc3c(c2c1=O)CCCC3 1865851669 FUTAEKBZLZTVRI-SNVBAGLBSA-N 459.459 2.406 50 10 JEGE CC(C)(C)OC(=O)N[C@@]1(C(=O)O)CCN(S(=O)(=O)c2ccc(CBr)cc2)C1 2163051652 VPQCMSMLYPWQDU-KRWDZBQOSA-N 463.350 2.324 50 10 JEGE Cc1ccc(B(O)O)cc1NC(=O)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2284015863 SOHYJNWXOJYIKS-RUZDIDTESA-N 468.359 2.457 50 10 JEGE COc1ccc(C=NNC(=O)CCNc2nnc(O)nc2O)cc1OCc1ccc(C)cc1 2318414643 DTTYEPBCJBJSSU-UHFFFAOYSA-N 452.471 2.131 50 10 JEGE CC1(C)O[C@@H]2CO[C@](O)(CO)[C@@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H]2O1 199853981 LYEYVIPMFIHSLX-ILSIFQBBSA-N 458.627 2.163 50 10 JEGE in-vitro O=C(O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1O 249922918 VXLADYQBBOPTRE-IEOIMIPYSA-N 459.090 2.373 50 10 JEGE CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NNc1ccc(F)c(F)c1F)n2C 727759552 DIWFUJBMBOTIOP-UHFFFAOYSA-N 455.462 2.317 50 10 JEGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)N[C@@H](C)CN2CCCCC2)cc1 920853804 HFBUVESYCMQPSG-OFBHVFLISA-N 464.570 2.332 50 10 JEGE O=C(NN=C1C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21)c1ccccc1[N+](=O)[O-] 1084338799 GETQLYRWLABIDJ-UHFFFAOYSA-N 483.440 2.372 50 10 JEGE C=C[C@@H]1OCC[C@H]1CNC(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1 1478854927 XTJJKPZNHIEDFG-BBRMVZONSA-N 450.542 2.084 50 10 JEGE CC(=O)N[C@@H](C(=O)NNC(=O)c1cncn1-c1ccccc1)c1cccc(Br)c1 1540479213 BDAZMHPWELMQPM-GOSISDBHSA-N 456.300 2.273 50 10 JEGE CN(C[C@@H]1C[C@H]1Br)S(=O)(=O)c1ccc(I)c(C(=O)O)c1 2196940931 PHTNRXLKWSOSIT-OIBJUYFYSA-N 474.114 2.393 50 10 JEGE Cc1c(C(=O)NCCCN2CCOCC2)oc2c1/C(=N/NC(=O)COc1ccccc1)CCC2 40815941 LTTPUCBPIXFMRR-NHFJDJAPSA-N 468.554 2.276 50 10 JEGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)N2CCN(CC(F)(F)F)CC2)cc1 920851591 HUIVGHJYUPLEFN-SFQUDFHCSA-N 490.486 2.048 50 10 JEGE O=C1NCCC[C@@H]1C(=O)NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 1084428794 NRWUOURVFGCHKD-HNNXBMFYSA-N 473.302 2.482 50 10 JEGE C#CCOc1ccc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 1562370055 CHCBYDXOMNVDDI-UHFFFAOYSA-N 456.524 2.340 50 10 JEGE CC(C)(C)OC(=O)N1C[C@H](S(C)(=O)=O)[C@H](NC(=O)c2ccc(CBr)cc2)C1 2192675436 DMNMHOSVNDMFPW-CABCVRRESA-N 461.378 2.344 50 10 JEGE Cc1cc(B(O)O)c(F)c(C(=O)NCCNC(=O)OCC2c3ccccc3-c3ccccc32)c1 2247891135 VMKGUVBWLXYBFG-UHFFFAOYSA-N 462.286 2.082 50 10 JEGE COC(=O)[C@@H](CBr)NS(=O)(=O)c1cc(Br)ccc1Br 2343390637 JXEVQOGMSDFJBF-MRVPVSSYSA-N 479.972 2.426 50 10 JEGE Cc1ccc(S(=O)(=O)NNc2ncnc(NNC(=O)c3ccc(Br)cc3)c2N)cc1 40784518 YJQGDAZUHVYDAI-UHFFFAOYSA-N 492.359 2.192 50 10 JEGE COc1cc(Br)c2c3c1O[C@H]1C(=O)[C@@H](Br)C[C@@]4(O)[C@@H](C2)N(C)CC[C@]314 138128290 JOIWBECPBKCGJU-QDODQBBXSA-N 473.161 2.184 50 10 JEGE O=S(=O)(N[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)F)N1CCC(Br)CC1 1878728060 WJVDNZQCHOUTPO-HZPDHXFCSA-N 452.365 2.446 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@H](C2CN(S(=O)(=O)N3CCC(Br)CC3)C2)C1 1886842818 JJVNJDGFSBZSMW-ZDUSSCGKSA-N 452.415 2.279 50 10 JEGE CC(C)(C)OC(=O)N1CCN(C[C@H](Br)C(F)(F)F)[C@@H]2CS(=O)(=O)C[C@@H]21 2044705802 OCMMUDDRSLIVGG-VWYCJHECSA-N 451.305 2.031 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NCC[C@@H]1COC[C@@H]1Br 2048704895 FKMHFJBDTGNHDL-PBHICJAKSA-N 473.389 2.172 50 10 JEGE Cc1cc(C(=O)NCCNC(=O)OCC2c3ccccc3-c3ccccc32)cc(C)c1B(O)O 2247893597 VLXLTWANJRNZRN-UHFFFAOYSA-N 458.323 2.252 50 10 JEGE CC(C)(C)OC(=O)N1CCC[C@@]2(C1)C(=O)NCCN2CCCCI 2248240522 FXTYLOKBRBYZEP-QGZVFWFLSA-N 451.349 2.403 50 10 JEGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1ccccc1B(O)O 2248416190 OAZZAATYDPZTIZ-KRWDZBQOSA-N 458.323 2.252 50 10 JEGE C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1)c1cscc1B(O)O 2256681803 QCVRFBYYHFUDDC-KHYOSLBOSA-N 462.377 2.104 50 10 JEGE COc1cccc(OCC(=O)Oc2ccc(C=C(C#N)C(=O)N3CCOCC3)cc2OC)c1 2314795901 BLSBPPSXTMIZSF-UHFFFAOYSA-N 452.463 2.454 50 10 JEGE Cc1nn(CCO)c(C)c1/C=N/NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 59914303 VBSJCEFOKITKNC-AFUMVMLFSA-N 476.566 2.377 50 10 JEGE CC(C)COc1cccc(/C=N\NC(=O)[C@@H](Sc2n[nH]c(=O)[nH]c2=O)c2ccccc2)c1 169891774 HFULETSOIJRCDK-NVIPHDJISA-N 453.524 2.477 50 10 JEGE CCCOc1ccc(-c2c(C(=O)NN=Cc3ccc(NC(C)=O)cc3)nnn2-c2nonc2N)cc1 254508059 ZUXMHWAXORNDNL-UHFFFAOYSA-N 489.496 2.411 50 10 JEGE COc1ccccc1C(=O)NN=C1C(=O)N(CN2CCOCC2)c2ccc(Br)cc21 254863413 PMVTXZMUQGEPOI-UHFFFAOYSA-N 473.327 2.228 50 10 JEGE COCCOCCOCCO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1I 303741365 LGVJCPOFZXIZMD-ZIAGYGMSSA-N 459.321 2.106 50 10 JEGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NCc2ccc(N(C)C)nc2)cc1 920853687 FHRPTYFIFYLPFJ-UNOMPAQXSA-N 473.537 2.118 50 10 JEGE Nn1c(SCC(=O)NN=C/C=C/c2ccccc2)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084227387 DTJDTCRIELICPO-XBWBJOPRSA-N 468.455 2.383 50 10 JEGE CS(=O)(=O)N(CC(=O)NN=Cc1cccc2c1OCCO2)c1cccc(Br)c1 1084424960 GMKQADJYGKLHOZ-UHFFFAOYSA-N 468.329 2.137 50 10 JEGE CN(C[C@@H](Cl)COCc1ccccc1)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 1916333966 AOWIQVUGLYFLMY-QGZVFWFLSA-N 450.944 2.368 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1[C@H](CBr)C[C@@H]2OCC[C@@H]21 2030093997 KXMGCPRPJFVPGX-JQFCIGGWSA-N 471.373 2.019 50 10 JEGE C[C@H](Cl)CN1CCCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)CC1 2176859265 ZXRRBIYNGCLSSH-INIZCTEOSA-N 456.008 2.274 50 10 JEGE Cc1sc(C)c(S(=O)(=O)NCCCN(Cc2ccccc2)Cc2ccccc2)c1B(O)O 2255760133 LVCCETILDUDRPA-UHFFFAOYSA-N 472.441 2.416 50 10 JEGE C[C@@H](NC(=O)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1)c1cscc1B(O)O 2283990534 GGIWZULFWKUOSS-OSPHWJPCSA-N 488.415 2.449 50 10 JEGE CCOC(=O)c1sc2ncnc(NNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)c2c1C 96469227 DJEKOXUESDVXFO-UHFFFAOYSA-N 463.541 2.184 50 10 JEGE CCOc1ccccc1C(C)=NNC(=O)c1nnn(-c2nonc2N)c1CN1CCCC[C@@H]1C 254313486 ZKAOXRJZENHHCT-AWEZNQCLSA-N 467.534 2.160 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC1(CBr)CCOCC1 700930315 WLPCDZGOUOHONA-UHFFFAOYSA-N 487.416 2.420 50 10 JEGE CN1CCN(C[C@@H](NC(=O)NNC(=O)c2ccc(Br)cc2)c2ccccc2)CC1 1338445868 IKNYDSVEUOYNDH-LJQANCHMSA-N 460.376 2.382 50 10 JEGE C#C[C@@H](C)NC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 1683493749 FMFWUSAIIQDPKI-GFCCVEGCSA-N 454.430 2.472 50 10 JEGE Cc1c(C(=O)NCCCN2CCOCC2)oc2c1C(=NNC(=O)c1ccccc1O)CCC2 1772751962 QABVCTSLUSEQFH-UHFFFAOYSA-N 454.527 2.216 50 10 JEGE COc1ccc(N2C[C@@H](C(=O)N3CCN(C(=O)/C(C#N)=C/c4ccccc4)CC3)CC2=O)cc1 1873782341 YJCCJBSIGKVKSR-MEPUESOJSA-N 458.518 2.326 50 10 JEGE C=C[C@]1(CBr)COCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2135118489 AAKAKACBZYFTSW-FQEVSTJZSA-N 485.400 2.435 50 10 JEGE Cn1cc(S(=O)(=O)N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)cc1CBr 2179816269 QTAHNIHWILHJKC-RTBURBONSA-N 454.390 2.194 50 10 JEGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1Cc2cccc(B(O)O)c2C1 2248397984 PTAVKYXCAASERH-MRXNPFEDSA-N 456.307 2.136 50 10 JEGE O=C(NN=C1[C@H]2OC[C@@H](O2)[C@@H]2[C@H](C(=O)c3ccccc3)[C@H]12)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 252596492 CIZRBZQICZJVBQ-JABIQELNSA-N 452.379 2.089 50 10 JEGE COc1cccc(C=NNC(=O)[C@H]2CCCN(C(=S)NN[C@@H]3C[C@H]4C=C[C@H]3C4)CC2)c1O 254513482 KMHGIAGHSMGURL-LSTDLKDCSA-N 457.600 2.297 50 10 JEGE COc1ccc(C=NNc2nc(SCC(=O)NNC(=O)c3ccc(Cl)cc3)n[nH]2)cc1O 1084444591 LNZSQHNGHRZXIT-UHFFFAOYSA-N 475.918 2.172 50 10 JEGE C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NN(C)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1466673225 CXKSBTOIOGEYAL-INIZCTEOSA-N 457.531 2.137 50 10 JEGE O=C(c1cc(I)ccc1O)N1C[C@H]2COC[C@@H](C1)[C@@H]2Br 2189067899 OSEMXWXWKVBNIR-WOFXILAISA-N 452.086 2.479 50 10 JEGE CC1=C(C#N)C(=O)N(C)C(=O)C1=CNc1ccc(C)c(NC=C2C(=O)N(C)C(=O)C(C#N)=C2C)c1 2297710351 SMEMGJILZAXHJQ-UHFFFAOYSA-N 470.489 2.264 50 10 JEGE NNC(=O)[C@@H]1CC[C@H](COCc2ccc(I)c(Br)c2)O1 2377639654 HQEQBRJPDKNECB-SKDRFNHKSA-N 455.090 2.108 50 10 JEGE COC(=O)CC1=C(C(=O)OC)[C@]2(C(=O)N(Cc3ccccc3)c3ccccc32)C(C#N)=C(N)O1 20071536 RVAFRNSLESVTGA-RUZDIDTESA-N 459.458 2.185 50 10 JEGE COc1cc(C=NNC(=O)Cn2ccc(C(F)(F)F)n2)ccc1OCC(=O)N1C[C@H](C)O[C@H](C)C1 254385955 FLHBUPRDKMSRAL-GASCZTMLSA-N 497.474 2.075 50 10 JEGE CCOc1cc(C=NNC(=O)CSc2nnc(C)s2)cc(Br)c1OCC(N)=O 254419931 OSDMWMOEGGURFT-UHFFFAOYSA-N 488.389 2.114 50 10 JEGE CCOc1ccc(-c2c(C(=O)NN=C(C)c3ccccc3OC)nnn2-c2nonc2N)cc1 254711485 ZQZXIVBETAHLRB-UHFFFAOYSA-N 462.470 2.461 50 10 JEGE CN(CC(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1ccc(Cl)cn1 729298629 OXKCSJMTTAXWPJ-UHFFFAOYSA-N 476.924 2.391 50 10 JEGE O=C(CSc1n[nH]c(NN=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1)NNc1ccc(F)cc1 1084352311 BKBQJLORAOTLQR-UHFFFAOYSA-N 475.422 2.442 50 10 JEGE O=S(=O)(NC[C@H]1CC1(Br)Br)N1CCC(Br)CC1 2213095577 PKQBIIZWQNYYSJ-SSDOTTSWSA-N 455.010 2.186 50 10 JEGE Cc1cc(Cl)c(B(O)O)cc1NC(=O)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2256680374 VWVASFIXUBCJSW-LJQANCHMSA-N 462.739 2.377 50 10 JEGE Cc1cc(B(O)O)c(CN(C)C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc2ccccc2)s1 2268655013 GVDBDOKUVPAJSW-UZLBHIALSA-N 476.404 2.193 50 10 JEGE CC(C)(C)OC(=O)N1CC(O)(C(F)(F)CNS(=O)(=O)CCC(CCl)CCl)C1 2288529728 SUYSLYAUJPEEJM-UHFFFAOYSA-N 455.351 2.007 50 10 JEGE COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2C)cc1I 12502965 NZOBSODYMCQMKW-UHFFFAOYSA-N 499.330 2.323 50 10 JEGE COc1ccc(C(=O)NC(=S)NNC(=O)c2ccoc2C)cc1I 12502971 BHUVHFKJWTWALL-UHFFFAOYSA-N 459.265 2.151 50 10 JEGE COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2C)cc1Br 12570433 FNNDJYBPEPMUOT-UHFFFAOYSA-N 452.330 2.481 50 10 JEGE CC[C@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)c1 13630313 BLLBOUODOFXCLR-HOCLYGCPSA-N 458.540 2.141 50 10 JEGE CCC(CBr)(CBr)NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O 703981172 OCPQUKJRFMODSB-UHFFFAOYSA-N 482.194 2.141 50 10 JEGE CC(=O)N/C(=C\c1ccccc1)C(=O)NNS(=O)(=O)c1ccc(Br)c(C)c1 820574061 XJXOTIDODBCYAU-BOPFTXTBSA-N 452.330 2.244 50 10 JEGE C=CCOc1ccc(CC(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)cc1 1629814023 JAKYICBDOKVYRV-UHFFFAOYSA-N 456.974 2.413 50 10 JEGE C#C[C@H](C)NC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 1683493750 FMFWUSAIIQDPKI-LBPRGKRZSA-N 454.430 2.472 50 10 JEGE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)CI)C[C@H]1C(F)(F)F 1893945815 HXJFXOGIRIDEIY-HTQZYQBOSA-N 458.240 2.096 50 10 JEGE O=S(=O)(c1cc(CBr)ccn1)N1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2179813941 XGMVKJIADLIUEX-MSOLQXFVSA-N 452.374 2.250 50 10 JEGE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)[C@H](Br)C2CCCC2)[C@H](S(C)(=O)=O)C1 2332175758 PWGBPKFPBUFKCA-MGPQQGTHSA-N 453.399 2.089 50 10 JEGE Cn1cc(C(=O)NNC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)c2ccccc21 10736384 GHTFSMAXLPZPKW-UHFFFAOYSA-N 479.356 2.070 50 10 JEGE O=C(CCc1ccccc1O)N/N=C1\C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 59153075 GBXSGXOOSCXFNN-OLFWJLLRSA-N 482.496 2.488 50 10 JEGE N#C/C(=C/NCCc1ccc(S(N)(=O)=O)cc1)C(=O)N1CCC(Cc2ccccc2)CC1 216885802 WJZIFSRDDWMUKI-PYCFMQQDSA-N 452.580 2.355 50 10 JEGE O=C(C[C@H]1CCS(=O)(=O)C1)NNC(=O)c1c[nH]c2cc(Br)c(Br)cc12 1087992029 ZSIWCNVYPBOVNI-MRVPVSSYSA-N 493.177 2.279 50 10 JEGE C=C[C@@H]1OCCC[C@H]1NC(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1 1635446565 WANGNJCZHCGISI-CVEARBPZSA-N 450.542 2.227 50 10 JEGE COc1ccc(CCC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1865851915 KHTNRDJTQQSLLD-CQSZACIVSA-N 454.552 2.372 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@@H](CCBr)C(F)F 1918567023 LABYTINZXYGDIL-ZDUSSCGKSA-N 453.305 2.401 50 10 JEGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1C[C@H]2CCC[C@@](CBr)(C2)C1 2022185039 UPPDFXMLOCSMDJ-LIRRHRJNSA-N 455.374 2.500 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCOC[C@H](CBr)C1 2036939574 RYDNDNCGWIEOET-OAHLLOKOSA-N 473.389 2.126 50 10 JEGE C[C@@H](NC(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(B(O)O)cc1 2248897260 WOIUEPAJQYVQAE-QGZVFWFLSA-N 458.323 2.472 50 10 JEGE C[C@H](CBr)S(=O)(=O)N(C)Cc1c(Br)c(Br)nn1C 2316892145 LUPMBBOBFGALAP-ZCFIWIBFSA-N 468.009 2.490 50 10 JEGE O=S(=O)(CCBr)CCNS(=O)(=O)c1ccc(Cl)c(Br)c1 2360912852 ZAGPAGYTMCPKHI-UHFFFAOYSA-N 469.604 2.191 50 10 JEGE O=C(NNc1ncnc(N2CCN(c3ccccc3)CC2)c1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 40610854 NDRWEWIMDAQNKO-UHFFFAOYSA-N 464.442 2.377 50 10 JEGE CCOc1cccc(-c2c(C(=O)NN=C(C)c3ccc(OC)cc3)nnn2-c2nonc2N)c1 254303059 PPIBGBXXTRFFPV-UHFFFAOYSA-N 462.470 2.461 50 10 JEGE O=C(CN1C(=O)C(=NNC(=O)c2cc([N+](=O)[O-])ccc2O)c2ccccc21)Nc1ccccc1 254398969 RRTPZJRGNBOQOW-UHFFFAOYSA-N 459.418 2.420 50 10 JEGE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@]2(NS(=O)(=O)N2CCC(Br)CC2)C1 2106306060 VIWSLVJXFZCYNY-SUMWQHHRSA-N 452.415 2.470 50 10 JEGE CCOC(=O)N1CCN(c2ncnc(NNC(=O)c3ccc(Br)cc3)c2[N+](=O)[O-])CC1 40657927 MPRMOSHELHMOAP-UHFFFAOYSA-N 494.306 2.183 50 10 JEGE Nc1c(NNC(=O)c2ccccc2Br)ncnc1N1CCN(c2ccccn2)CC1 40785001 MPEUFJHFQMQJRS-UHFFFAOYSA-N 469.347 2.300 50 10 JEGE CC(=O)O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 616590430 RDLYSPHPIQHWLE-IEWDOMPSSA-N 462.568 2.091 50 10 JEGE O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 747369302 GUELFJFGMRVQOX-SFTDATJTSA-N 491.997 2.245 50 10 JEGE C[C@@H]1CCC(C(=O)Nc2ccc(Cl)cc2)=C2NC=C(C(=O)NNC(=O)c3ccccc3)C(=O)N21 1088659685 JPIYIMDPVBDOFU-CQSZACIVSA-N 479.924 2.449 50 10 JEGE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(B(O)O)ccc1Cl 2256626980 QCEHDSBYOBSYCP-AUUYWEPGSA-N 462.739 2.457 50 10 JEGE CC(C)(C)OC(=O)NCCCN(CCO)S(=O)(=O)c1ccc(CBr)cc1 2266408691 BZQKEZDDPMIXLH-UHFFFAOYSA-N 451.383 2.479 50 10 JEGE O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NN=C1CCN(Cc2ccccc2)CC1 12555287 HUGUHPPLDCAPEP-UHFFFAOYSA-N 484.622 2.408 50 10 JEGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C\Nc1ccc(S(N)(=O)=O)cc1C 101144380 YMXFVEBFQVNUHL-ZHZULCJRSA-N 450.520 2.390 50 10 JEGE CCN(CC)c1c(/C=N/Nc2nnc(S[C@@H](C)C(=O)NNC(C)=O)[nH]2)c(C)nn1-c1ccccc1 253568513 LHVWDCXVEQCFPL-LUILSVGHSA-N 498.617 2.239 50 10 JEGE CC(=O)O[C@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](Oc2ccccc2)O[C@H]1CI 504390558 GSJYCHGFHMUGRN-RZFLPCETSA-N 492.262 2.020 50 10 JEGE biogenic O=C(CSc1n[nH]c(NN=Cc2cc(Cl)cc(Cl)c2O)n1)NNC(=O)C(F)(F)F 1084568245 XDVUGCPMCRTDRO-UHFFFAOYSA-N 472.236 2.065 50 10 JEGE C[C@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)c(=O)c23)C1 1865852412 VLVKQSUQNQJFNA-ZDUSSCGKSA-N 477.587 2.035 50 10 JEGE CN(C[C@H]1C[C@H](Br)C1)C(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1887829538 KUVZDEIOOZBARM-IHRRRGAJSA-N 453.399 2.043 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC(COCCCl)CC1 2167400853 YINBEBMLKOOXRQ-HXUWFJFHSA-N 460.955 2.308 50 10 JEGE O=C(CCCNC(=O)OCC1c2ccccc2-c2ccccc21)N=c1ccc(Cl)c(B(O)O)[nH]1 2248898316 ACQJSYACZNHAOK-UHFFFAOYSA-N 479.729 2.094 50 10 JEGE CC(C)S(=O)(=O)N(C)NC(=O)c1ccc(Br)cc1I 2339768861 BOYYRLOBIMYWSI-UHFFFAOYSA-N 461.119 2.369 50 10 JEGE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(F)c(B(O)O)c(F)c1 2341210783 NWCRGOPMWBJZIV-DJJJIMSYSA-N 464.274 2.082 50 10 JEGE N#CC1(O)CCN(C(=O)c2cc(I)cc(I)c2O)CC1 709375157 MEBVPFUUMSZKIA-UHFFFAOYSA-N 498.058 2.092 50 10 JEGE Cc1ccc(N2C(=O)[C@@H](C=NNC(=O)CC[C@H](O)c3ccccc3)C(=O)NC2=S)cc1C 725382395 BJMWVUCVEIUKDT-OALUTQOASA-N 452.536 2.283 50 10 JEGE Cc1[nH]c(C(=O)NN=Cc2ccc([N+](=O)[O-])o2)c(C)c1C(=O)NN=Cc1ccc([N+](=O)[O-])o1 1082989150 DULSJVKIKPMLGX-UHFFFAOYSA-N 457.359 2.162 50 10 JEGE CC(C)(C)OC(=O)NC[C@H]1CN(S(=O)(=O)CI)C[C@H]1C(F)(F)F 1983327925 RNAJZLYKJRJVAU-DTWKUNHWSA-N 472.267 2.344 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC([C@@H](F)CBr)C1 2001903851 MCPJKJDRYLPDCV-INIZCTEOSA-N 461.353 2.448 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC2(C1)OCCC[C@H]2Br 2103422015 JJVVWHZSMUVTAW-MRXNPFEDSA-N 485.400 2.267 50 10 JEGE O=S1(=O)CCC(CBr)(CNS(=O)(=O)C2CC(OCc3ccccc3)C2)CC1 2199812980 MEHSXWGSYMLOAZ-UHFFFAOYSA-N 480.446 2.244 50 10 JEGE CCOC(=O)CN1C(=O)C(=NNC(=O)c2ccc(I)cc2)c2ccccc21 254406179 CUKCOLOTYBCTFT-UHFFFAOYSA-N 477.258 2.335 50 10 JEGE Cc1sc2ncn(CC(=O)NNS(=O)(=O)c3ccc(Cl)c(Cl)c3)c(=O)c2c1C 1860770629 QEWFJKJBSWFJIY-UHFFFAOYSA-N 461.352 2.391 50 10 JEGE CC(C)(C)OC(=O)N1CC2(C1)CS(=O)(=O)CCN2C[C@H](Br)C(F)(F)F 2063606990 IPRBKTRDVWJCIA-JTQLQIEISA-N 451.305 2.032 50 10 JEGE CN(C(=O)OC(C)(C)C)C1(COc2ncc(Br)cc2B(O)O)CCSCC1 2240284140 MMQUBUYMJNCQDC-UHFFFAOYSA-N 461.187 2.035 50 10 JEGE CCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cccc(OC(C)C)c2)cc1 10471905 JHESZXATBKYVGO-UHFFFAOYSA-N 459.524 2.365 50 10 JEGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCOC)cc2)cc1 14657206 OTQIQPMDQUQXBF-UHFFFAOYSA-N 458.540 2.400 50 10 JEGE CCOc1cc(C=NNC(=O)c2c(C)nnn2-c2nonc2N)ccc1OCc1ccc(F)cc1 254523638 NDTHPKQHGJKDSF-UHFFFAOYSA-N 480.460 2.422 50 10 JEGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NCCC2CCN(C)CC2)cc1 726771650 DVDYTSAOBQOCDE-HMMYKYKNSA-N 464.570 2.189 50 10 JEGE O=C(NNc1ccc(F)c(F)c1F)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 728715807 CRKNPSVMRDRVRU-LLVKDONJSA-N 455.414 2.184 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NCCI 1888219379 JQEBQTRHOGDWGH-UHFFFAOYSA-N 464.325 2.197 50 10 JEGE CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](OCC2CC(S(C)(=O)=O)C2)C1 1905179861 OZDLDCKYPWREIP-TYUFSLCMSA-N 459.346 2.249 50 10 JEGE O=S(=O)(CI)N[C@H]1CN(Cc2ccccc2)[C@@]2(CCCOC2)C1 1983330249 CWKSFMIULWFABJ-CVEARBPZSA-N 450.342 2.122 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1C[P@](C)(=O)C[C@H]1Br 2057707286 GLGFKZCQXYAFSC-OCIDDZGHSA-N 495.307 2.069 50 10 JEGE CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)c2ccc(B(O)O)c(C(F)(F)F)n2)C1 2223642063 FQVYLXGKODMYDL-UHFFFAOYSA-N 451.254 2.406 50 10 JEGE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)c(B(O)O)c1 2256625887 CWNKVEAOEIALAU-AUUYWEPGSA-N 462.739 2.457 50 10 JEGE O=C(COc1cccc2ccccc12)NNC(=S)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 12502303 XDMAVKIAHMSZQH-UHFFFAOYSA-N 469.435 2.371 50 10 JEGE O=C(N/N=C1/C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21)c1cccc([N+](=O)[O-])c1 59471827 GVTUOJSIPAJXTO-YYADALCUSA-N 483.440 2.372 50 10 JEGE CCN(CC)c1ccc(C=NNC(=O)c2c(-c3ccccc3)nnn2-c2nonc2N)c(O)c1 254708775 WFIQSSIUELOTLC-UHFFFAOYSA-N 461.486 2.215 50 10 JEGE CCOc1cc(C=NNC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OCc1c(C)no[n+]1[O-] 725432403 YMYSVJMTJHPWJW-UHFFFAOYSA-N 486.481 2.384 50 10 JEGE COc1ccccc1NCC(=O)NNC(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1 727485022 ZKLXADVGMZHHGK-UHFFFAOYSA-N 453.543 2.219 50 10 JEGE C=CCOc1cc(OC)ccc1C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 1124504073 LFWTZGSBRHOKQL-UHFFFAOYSA-N 459.524 2.119 50 10 JEGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)C[C@@H]2CCS(=O)(=O)C2)cc1 1866578723 OCVOAIWUYGSMSD-OXJNMPFZSA-N 473.576 2.456 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1CC[C@@H](CBr)C1 2000540031 CSKFFSUVCDZDFA-VBHSOAQHSA-N 461.353 2.494 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1C[C@](C)(CBr)C1 2009755443 HWFODLQTIUYMLT-NXOUGTEYSA-N 461.353 2.494 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)Nc2ccc(B(O)O)cc2)C1 2124520037 QHPMIVMFPKIFEF-DEOSSOPVSA-N 454.332 2.149 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1COC2(CCC2)[C@H]1Br 2141556621 MPHDZRQICXGYRO-MPGHIAIKSA-N 489.363 2.015 50 10 JEGE CO[C@H]1[C@H](CNC(=O)N2CCC(Br)CC2)N(C(=O)OC(C)(C)C)C[C@H]1OC 2279391495 NLMXTCWHTVRJOZ-ZNMIVQPWSA-N 450.374 2.205 50 10 JEGE CCOc1ccc(C(=O)NNC(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)cc1OC 12693417 FBTAPHVJMVWHLR-UHFFFAOYSA-N 490.310 2.304 50 10 JEGE COc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(C)c(I)c2)cc1 13979303 JWCDVAZEUHMCJM-UHFFFAOYSA-N 499.330 2.323 50 10 JEGE C#C[C@@H](NC(=O)NNC(=O)C1CCN(c2ncccn2)CC1)c1ccc(Br)cc1 1686920043 RXVOUQIUVVVKGY-QGZVFWFLSA-N 457.332 2.160 50 10 JEGE O=C(O)Cc1cc(B(O)O)cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c1 1887521957 ROFRLXMIRSSDQD-UHFFFAOYSA-N 486.333 2.065 50 10 JEGE COCCN(C[C@@H](C)Br)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2259757981 QAUHGHNNCARNNK-ACJLOTCBSA-N 479.368 2.072 50 10 JEGE COc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1I 13622993 YDNGVZAMFDQXCL-OAHLLOKOSA-N 493.301 2.110 50 10 JEGE CCCc1c(C(=O)NN=Cc2ccc(OC3CCCC3)c(OC)c2)nnn1-c1nonc1N 254493254 OAIMSQJQZSNCCJ-UHFFFAOYSA-N 454.491 2.279 50 10 JEGE C=CCNS(=O)(=O)c1cccc(C(=O)NNC(=O)Nc2ccc(Br)cc2)c1 1617584033 SCHVBDCTWNBOBG-UHFFFAOYSA-N 453.318 2.380 50 10 JEGE O=S(=O)([C@H]1C[C@@H](CBr)C1)N1CC[C@H](N2CCN(Cc3ccccc3)CC2)C1 2179834699 LMCBRGZSWZNAAX-SLFFLAALSA-N 456.450 2.382 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC2(CCOCC2)[C@H]1CCl 2381038810 UNIKIXWALGLIPA-QGZVFWFLSA-N 454.976 2.358 50 10 JEGE O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)NNC(=O)COc1ccc(Br)cc1 10450671 UNCOZROZAHQOLX-RUDMXATFSA-N 479.312 2.471 50 10 JEGE Cc1cc(OCC(=O)NNC(=S)NC(=O)COc2ccc([N+](=O)[O-])cc2)ccc1Br 12572620 RJKGQZFGTJRWCV-UHFFFAOYSA-N 497.327 2.145 50 10 JEGE O=C(CCC(=O)NNC(=S)Nc1ccc(F)cc1)NNC(=S)Nc1ccc(F)cc1 12575234 UYYSZRLWLHFLSC-UHFFFAOYSA-N 452.512 2.080 50 10 JEGE Cc1nc(C)c(C(=O)NN=Cc2ccc(O)cc2O)cc1C(=O)NN=Cc1ccc(O)cc1O 254559550 XWXONAKMQNUSDP-UHFFFAOYSA-N 463.450 2.049 50 10 JEGE CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)O[C@@H](C)C2 730514232 FBNPZHYSVIACLK-HZUKXOBISA-N 493.969 2.274 50 10 JEGE CCOC(=O)CN1C(=O)C(=NNC(=O)Cn2c(C(F)(F)F)nc3ccccc32)c2ccccc21 1084144029 LZMKXMDETQTLQK-UHFFFAOYSA-N 473.411 2.485 50 10 JEGE Cc1ccc(/C=C\C(=O)NC(=S)NNC(=O)c2nnc3cc(-c4ccccc4)nn3c2N)cc1 1088669425 CKOWXMYVXMZAMC-QXMHVHEDSA-N 472.534 2.031 50 10 JEGE Cc1ccc(-c2csc3ncn(CC(=O)NNS(=O)(=O)c4ccccc4)c(=O)c23)cc1 1860770492 KRKYXHBSSDUKAF-UHFFFAOYSA-N 454.533 2.443 50 10 JEGE C=CCOc1ccccc1OCC(=O)NNC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1865845199 MYEBHRQJWNRLNA-OAHLLOKOSA-N 482.562 2.374 50 10 JEGE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](CCNS(=O)(=O)N2CCC(Br)CC2)O1 2181160574 ZDJUQYSAMOLMPJ-ZFWWWQNUSA-N 470.430 2.095 50 10 JEGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1csc(B(O)O)c1 2243679203 UJUCVELYZVXEIL-OAHLLOKOSA-N 464.352 2.314 50 10 JEGE COCCCNC(=O)C(C#N)=C1NC(=NC(=O)c2cc(OC)c(OC)c(OC)c2)c2ccccc21 2296532711 MRFCRFJQCFAVSY-UHFFFAOYSA-N 478.505 2.290 50 10 JEGE O=C(NC1(C(=O)N2CCc3ccc(B(O)O)cc32)CC1)OCC1c2ccccc2-c2ccccc21 2319282508 LQHSVDYREMERHJ-UHFFFAOYSA-N 468.318 2.327 50 10 JEGE CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(F)cc2)c1C 912663503 HDQHNRPDWKTNMO-PRWBYUBPSA-N 486.569 2.292 50 10 JEGE O=C(OCc1ccccc1)N1CC2(CC=CCN2S(=O)(=O)CI)C1 1907172468 SAWVOEDFVAZRDQ-UHFFFAOYSA-N 462.309 2.362 50 10 JEGE O=S(=O)(c1ccc(CBr)cn1)N1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2179810932 IBSZZRBDDOKFQZ-QZTJIDSGSA-N 452.374 2.250 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H]2COC[C@@]2(CBr)C1 2226183802 USEMLDDWNZQMPV-MGPUTAFESA-N 485.400 2.126 50 10 JEGE O=C(CCCNC(=O)OCC1c2ccccc2-c2ccccc21)NCc1ccc(B(O)O)cc1 2248882989 OJLFNMHENXNZDY-UHFFFAOYSA-N 458.323 2.302 50 10 JEGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2255626338 FIAGVLGSKLPQMD-UHFFFAOYSA-N 472.442 2.345 50 10 JEGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ncc(B(O)O)s1 2256624877 YSISGHYUGGWBDR-NPMXOYFQSA-N 493.394 2.393 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1C[C@@H](CBr)[C@@H]2C[C@H]12 2309224217 QCVLMFOOXDLKLE-WIBAPHFWSA-N 473.364 2.350 50 10 JEGE CN(C)C[C@@H](Br)CN(C)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338844552 HIIQBLUOWQEKMS-MRXNPFEDSA-N 488.448 2.430 50 10 JEGE COc1ccc(OCC(=O)NC(=S)NNC(=O)COc2ccc(Br)c(C)c2)cc1 13978840 NAWLUSQUDOCKAE-UHFFFAOYSA-N 482.356 2.246 50 10 JEGE CC(C)(C)C(=O)NNC(=O)CSc1nnc(Cn2nnc3ccccc32)n1-c1ccccc1 20831574 IPGDCXRKQDRLOD-UHFFFAOYSA-N 464.555 2.346 50 10 JEGE Cc1c(C(=O)NCCCN2CCOCC2)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 40814529 NIWKOWLGRNJXCA-NHFJDJAPSA-N 497.552 2.348 50 10 JEGE CC(C)C(=O)NNC(=O)[C@@H](C)Sc1n[nH]c(N/N=C/c2cccc(Br)c2)n1 59878470 BZHLRHHZSINUQI-NCMFSIOGSA-N 454.354 2.297 50 10 JEGE COc1ccc(Br)cc1/C=N/Nc1nc(SCC(=O)NNC(=O)C2CCC2)n[nH]1 59880758 BNIYFCCLMUEYLY-UFWORHAWSA-N 482.364 2.061 50 10 JEGE CCOC(=O)C1=NO[C@H](Cc2c(C=NNC(=O)c3ccccc3O)c(OC)c3c(c2OC)OCO3)C1 254491705 XCUJYPRNZUFAEQ-CYBMUJFWSA-N 499.476 2.153 50 10 JEGE Nn1c(SCC(=O)NN=C/C=C\c2ccccc2)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084227386 DTJDTCRIELICPO-KIXJWJDMSA-N 468.455 2.383 50 10 JEGE Cc1sc2ncn(CC(=O)NNS(=O)(=O)c3ccccc3[N+](=O)[O-])c(=O)c2c1-c1ccccc1 1860770583 OKYOWXINRVFIGI-UHFFFAOYSA-N 499.530 2.351 50 10 JEGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ncc(B(O)O)cn1 2257352846 AUDLZHFUSPNTPB-JOCHJYFZSA-N 474.326 2.048 50 10 JEGE Cn1nc(Br)c(Br)c1[C@@H](Br)CS(=O)(=O)N1CCOCC1 2364036980 LQCVATHPPDYEAJ-ZETCQYMHSA-N 496.019 2.043 50 10 JEGE CSc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2-c2ccc3c(c2)OCO3)cc1 254699408 UCBWUCNPTHOIPQ-UHFFFAOYSA-N 464.467 2.114 50 10 JEGE COC(=O)[C@H](I)CNC(=O)c1sccc1I 309229778 KKCJLJCZZDRCBV-ZCFIWIBFSA-N 465.050 2.059 50 10 JEGE Cc1csc([C@@H](C)NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)n1 727942629 ULZQUGRKJDLYTB-CQSZACIVSA-N 451.574 2.331 50 10 JEGE Cn1cc(C(=O)NNC(=O)NCc2cccc(CN3CCC[C@H](C(N)=O)C3)c2)c2ccccc21 731044337 OSXTUAXISJKIPA-IBGZPJMESA-N 462.554 2.020 50 10 JEGE CCc1nn(CC)c2c1[C@@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865687092 JFYIYUPWVXMNQS-NRFANRHFSA-N 453.543 2.403 50 10 JEGE Cc1nc(I)c(I)n1-c1nc(CCl)n(C)n1 1981648267 KWQYBMSUEYAMBS-UHFFFAOYSA-N 463.448 2.257 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](Br)C2(CC2)C1 2000540399 FFJPLACOKJXOEX-RHSMWYFYSA-N 459.337 2.200 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2C[C@@]2(CBr)C1 2022770320 QFQISAMVXTUHNG-NXOUGTEYSA-N 459.337 2.057 50 10 JEGE Cn1nc(Br)c(C(=O)NCC(F)(F)C(F)(F)CI)n1 2336527384 PCGISKYLKXORHR-UHFFFAOYSA-N 458.979 2.013 50 10 JEGE COC[C@@]1(CBr)C=CCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2351725833 ITLGQUKEJQVJRP-FQEVSTJZSA-N 485.400 2.435 50 10 JEGE COc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C\N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 217231479 FIZGCVJCOLSQOJ-ICFOKQHNSA-N 485.522 2.264 50 10 JEGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CCc3c[nH]c4ccccc34)C2)C1 1872962613 UYIJNXMAUDGNLE-VQTJNVASSA-N 474.565 2.336 50 10 JEGE CCCS(=O)(=O)N(C)NC(=O)c1ccc(Br)cc1I 2339768480 VEFNWQKUGSFVFM-UHFFFAOYSA-N 461.119 2.370 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2OC[C@@H](CCl)[C@H]2C1 2364212824 ARUVFTBCNPNXPM-ATZDWAIDSA-N 454.976 2.358 50 10 JEGE CCN(CC)c1ccc(/C=N\NC(=O)[C@@H](Sc2n[nH]c(=O)[nH]c2=O)c2ccccc2)cc1 169891677 HGVBXXVQROBNFV-PVFDWLMNSA-N 452.540 2.288 50 10 JEGE CC(CBr)(CBr)NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 703994026 OGAZYVDIVFCJPT-UHFFFAOYSA-N 482.194 2.141 50 10 JEGE O=C(CN1CCOCC1)NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 1084307135 BTLBHLFGTAUHKO-UHFFFAOYSA-N 475.318 2.288 50 10 JEGE CN(C(=O)OC(C)(C)C)[C@H](CCOc1ncc(Br)cc1B(O)O)C(F)(F)F 2240286346 BAKDKIGSMTYJFC-LLVKDONJSA-N 457.052 2.091 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H]1CCOC[C@H]1Br 2316816501 APFVRVIIQIBVJU-SJORKVTESA-N 473.389 2.315 50 10 JEGE Nn1c(SCC(=O)N/N=C/c2ccc(O)cc2O)nnc1-c1ccccc1Br 58987286 WMLOECYOFSOMKY-DNTJNYDQSA-N 463.317 2.075 50 10 JEGE Cc1ccc(SCc2c(C(=O)NN=Cc3ccc(O)cc3O)nnn2-c2nonc2N)cc1 254874434 YWFASJBSBYFCLF-UHFFFAOYSA-N 466.483 2.008 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCSC[C@H]1CBr 704002099 QUDOFAGENREKGU-CYBMUJFWSA-N 475.430 2.451 50 10 JEGE C#CCNS(=O)(=O)N1CCN(C(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)CC1 1471450467 AHGAIGMUCYCUDM-PGMHBOJBSA-N 457.600 2.129 50 10 JEGE O=C(NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1ccc(Cl)cc1Cl 13630130 KXGDKVWDACZOQY-JTQLQIEISA-N 455.323 2.271 50 10 JEGE O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NNC(=O)c1ccccc1OCc1ccc(F)cc1 17200696 UFIZFPSQULUNNC-UHFFFAOYSA-N 476.464 2.259 50 10 JEGE CC(=O)N[C@@](C)(C(=O)NNc1nc2ccccc2[nH]c1=S)c1ccc(S(C)(=O)=O)cc1 1301148401 PHAWBIVFVKATPO-HXUWFJFHSA-N 459.553 2.190 50 10 JEGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](OC[C@H]2C[C@@H](S(C)(=O)=O)C2)C1 1905176395 OZDLDCKYPWREIP-QNWHQSFQSA-N 459.346 2.249 50 10 JEGE O=S(=O)(C[C@H](Br)c1ccccc1I)N1CCOCC1 2089401103 XPMPOHJVHWTWSX-NSHDSACASA-N 460.131 2.389 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H]2COC[C@@H](C1)C2Br 2111465774 GGHBHYVDVLCQLX-MVVMVCHASA-N 485.400 2.124 50 10 JEGE Cc1cc(C(=O)NC2(CNC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)sc1B(O)O 2281742951 AEDYSOIWCBHSMC-UHFFFAOYSA-N 487.431 2.026 50 10 JEGE COc1cc(C(=O)NCC(=O)NN=C(C)C=Cc2ccc3c(c2)OCO3)cc(OC)c1OC 2297325100 RJBONOZDMIECIM-UHFFFAOYSA-N 455.467 2.376 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCO[C@H](CBr)C1 2316816625 BRKDMIRVQHHPOD-OAHLLOKOSA-N 473.389 2.269 50 10 JEGE CN(C)C[C@H]1C[C@@H](Cl)CN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2364215175 RPQJYQUEFHURHQ-IAGOWNOFSA-N 456.008 2.416 50 10 JEGE COc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2OC)cc1I 12403230 ZLTPVDSCSLETMN-UHFFFAOYSA-N 485.303 2.258 50 10 JEGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)c2ccc(O)cc2)c(Br)c1 13978559 DQMRTWUUOVWKDE-UHFFFAOYSA-N 452.330 2.432 50 10 JEGE COc1cc(C(=O)NNC(=O)CCCNC(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1O 34982331 VRZSHHZUVDHCFK-UHFFFAOYSA-N 495.286 2.043 50 10 JEGE CCOc1ccc(-c2c(C(=O)NN=Cc3ccc(N(C)C)cc3)nnn2-c2nonc2N)cc1 254625271 OHGGLXGLMWHMLU-UHFFFAOYSA-N 461.486 2.128 50 10 JEGE CC(=NNC(=O)c1cc(Br)cn1C)c1ccc(S(=O)(=O)N(C)CCCC(=O)O)cc1 767327286 JONIVJSLRSIFOR-UHFFFAOYSA-N 499.387 2.427 50 10 JEGE COc1ccc(C=NNC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1[N+](=O)[O-] 1084318492 BYJHVWSULRLBAM-UHFFFAOYSA-N 460.512 2.463 50 10 JEGE CC(=O)c1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c(C)nc1C 1135232634 PAUBSCPMXGVBSP-UHFFFAOYSA-N 458.540 2.150 50 10 JEGE CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NNc3cc(Cl)nc(C)n3)CC2)c1 1630225249 KXRKMOVXRVBQBI-UHFFFAOYSA-N 451.936 2.185 50 10 JEGE CC(C)(C)OC(=O)N1C[C@@H](CNS(=O)(=O)CI)[C@H](C(F)(F)F)C1 1895472291 SPSLHCCPWVMFCV-RKDXNWHRSA-N 472.267 2.344 50 10 JEGE Cn1ncc(Br)c1S(=O)(=O)NCCCCCCI 2029273084 DVWHMJJJLANVOE-UHFFFAOYSA-N 450.140 2.456 50 10 JEGE O=C(C=Cc1ccc(S(=O)(=O)NCc2ccco2)cc1)NNC(=O)c1ccc([N+](=O)[O-])cc1 2053511094 DNMUEIZFCJWABM-UHFFFAOYSA-N 470.463 2.141 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC2(CC1)C[C@H](Cl)CO2 2173127095 HNNSXHGDLYESAF-IFXJQAMLSA-N 458.939 2.203 50 10 JEGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ncc(B(O)O)cn1 2257343530 AUDLZHFUSPNTPB-QFIPXVFZSA-N 474.326 2.048 50 10 JEGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(B(O)O)c(F)c1F 2268635215 ORETWJIXNJKQPN-ORAYPTAESA-N 464.274 2.082 50 10 JEGE Cc1csc(CNC(=O)[C@@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)c1B(O)O 2283991217 PJXCOKAUXNUJDT-DEOSSOPVSA-N 488.415 2.197 50 10 JEGE Cc1cc(I)ccc1NC(=O)C(C#N)=CN(C)[C@@H]1CCS(=O)(=O)C1 2325406424 GUFHSUWAWPICOH-CQSZACIVSA-N 459.309 2.065 50 10 JEGE Cc1ccc(I)c(C(=O)NCCS(=O)(=O)CCBr)c1 2335772232 AHGRPJPJUXWFMH-UHFFFAOYSA-N 460.131 2.139 50 10 JEGE COc1ccc(Br)cc1/C=N/Nc1nc(S[C@H](C)C(=O)NNC(=O)C2CCC2)n[nH]1 59880764 OCRAHQQEEURTIC-KTMXNEEYSA-N 496.391 2.450 50 10 JEGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)C(=O)NCc3ccco3)cc2)cc1 1083960947 WKBDAUJDUIWFJN-UHFFFAOYSA-N 450.451 2.072 50 10 JEGE COc1ccc(C(C)=NNc2nc(SCC(=O)NNC(=O)c3ccccc3)n[nH]2)cc1OC 1084462781 FOGAWIFMMJIZBE-UHFFFAOYSA-N 469.527 2.211 50 10 JEGE CCc1ccc(OCC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1860770258 ZZELEWDLFUFVQU-CQSZACIVSA-N 454.552 2.372 50 10 JEGE CC(C)(C)OC(=O)NCCSSCCNC(=O)CC1(O)CN(C(=O)OC(C)(C)C)C1 1993241259 YRKFMAOVVSKGAK-UHFFFAOYSA-N 465.638 2.381 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@]1(F)C[C@H](CBr)C1 2049629093 FTTFAJCOXBMYNS-NXOUGTEYSA-N 479.343 2.443 50 10 JEGE CN(C)C[C@H]1C[C@@H](Br)CN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2122389563 FDFNSBUMFGLQOQ-HZPDHXFCSA-N 486.432 2.182 50 10 JEGE CC(C)(C)OC(=O)NC1(CC(=O)Nc2cccc(B(O)O)c2)CCN(Cc2ccccc2)CC1 2180992413 ZPWPYGSXYBRVBZ-UHFFFAOYSA-N 467.375 2.255 50 10 JEGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NS(=O)(=O)CCOCCCl)C1 2250350843 XRUSOBJMOCSAPH-UHFFFAOYSA-N 486.031 2.018 50 10 JEGE O=C(CSc1nnc(O)nc1O)NN=Cc1c(O)ccc2cc(Br)ccc12 2323176644 VSZGKQYZIIDTAT-UHFFFAOYSA-N 450.274 2.147 50 10 JEGE COc1ccc(/C(C)=N/Nc2nc(S[C@@H](C)C(=O)NNC(=O)C3CCC3)n[nH]2)cc1OC 59879323 WGTQZIKUWCWCDU-JHAVZTMOSA-N 461.548 2.086 50 10 JEGE CCCCOc1ccc(/C=N\NC(=O)c2cc(C)nn2-c2nnc(C)c(=O)[nH]2)cc1OCC 169921323 PAPAUTUFCZTFMA-QRVIBDJDSA-N 453.503 2.309 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H](Br)C(F)(F)C1 1946667591 COPZHWWYXCPNAY-AWEZNQCLSA-N 465.316 2.497 50 10 JEGE O=S(=O)(C[C@H](Br)c1cccc(I)c1)N1CCOCC1 2089400039 KFDNGJIBLUOTCN-LBPRGKRZSA-N 460.131 2.389 50 10 JEGE COCCn1c(C)cc(C=C(C#N)C(=O)OCc2nc(=N)[nH]c(=Nc3ccccc3C)[nH]2)c1C 2297335846 YWADWRZIJDBRMI-UHFFFAOYSA-N 461.526 2.473 50 10 JEGE Cc1cc(I)ccc1NC(=O)C(C#N)=CN(C)[C@H]1CCS(=O)(=O)C1 2325406423 GUFHSUWAWPICOH-AWEZNQCLSA-N 459.309 2.065 50 10 JEGE Cc1cc(Br)ccc1OCC(=O)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 13623049 VYPKHUCMDQSEDH-MRXNPFEDSA-N 460.328 2.332 50 10 JEGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cccc(OCC)c2)cc1 14042242 FSFXXQIFMRHMOH-UHFFFAOYSA-N 459.524 2.367 50 10 JEGE CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)OCC(=O)NNC(=O)Cc1nc(C)cs1)O[C@H](C)C2 730648697 AIPINVRMGGQKJM-UKPHBRMFSA-N 473.551 2.210 50 10 JEGE CCN(CC)C(=O)CN1C(=O)C(=NNC(=O)Cn2cnc3cc(C)c(C)cc32)c2ccccc21 1084443973 SSPTZGMBAODUQX-UHFFFAOYSA-N 460.538 2.389 50 10 JEGE COc1ccc(S(=O)(=O)CCC(=O)NCC(=O)Nc2ccc(SC#N)cc2)cc1OC 1868136721 IXGXVJBYSWXDPN-UHFFFAOYSA-N 463.537 2.196 50 10 JEGE COC[C@@](C)(CCBr)NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2046021601 CQJVIXJWIIXGNN-ZWKOTPCHSA-N 479.368 2.120 50 10 JEGE COC(=O)[C@H](I)CNS(=O)(=O)c1ccc(Br)cc1C 2141771186 YLAHWADNTKMMOH-SECBINFHSA-N 462.103 2.012 50 10 JEGE O=S(=O)(c1ccc(CBr)cn1)N1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2179810930 IBSZZRBDDOKFQZ-MSOLQXFVSA-N 452.374 2.250 50 10 JEGE Cc1sc(CNC(=O)C2(COCc3ccccc3)CN(C(=O)OC(C)(C)C)C2)c(B(O)O)c1C 2284141482 DEYPUPLLQCQOGI-UHFFFAOYSA-N 488.415 2.115 50 10 JEGE Cc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2[N+](=O)[O-])cc1I 13977116 DJZKVILZXAARJF-UHFFFAOYSA-N 484.275 2.457 50 10 JEGE O=C(CCc1nc(=O)c2cnn(-c3ccccc3)c2[nH]1)NNC(=O)C12CC3CC(CC(C3)C1)C2 17158382 ZRFOPTRNWVEQMB-UHFFFAOYSA-N 460.538 2.405 50 10 JEGE CNS(=O)(=O)c1cccc(C(=O)NNc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c1 728214897 FBRFCGRUEMGIHV-UHFFFAOYSA-N 460.537 2.152 50 10 JEGE CC(=NNC(=O)[C@H]1Cc2ccccc2O1)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)O)cc1 748140460 GDHZQUUOVSRCNY-PZJWPPBQSA-N 471.535 2.158 50 10 JEGE C#C[C@H](NC(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1ccc(Cl)cc1)[C@@H]1CCCO1 1616964076 MUDFCVZERCYEOA-LVVKNKJBSA-N 451.914 2.283 50 10 JEGE COc1ccc([C@H](C)N2C[C@@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1 1872960578 FFPZQPJODCCFCL-IHPCNDPISA-N 465.554 2.382 50 10 JEGE Cc1nc(S(=O)(=O)N2C[C@H](Br)[C@H](Br)C2)c(Br)n1C 2075314107 QJFCBAGLJZCSRA-KNVOCYPGSA-N 465.993 2.022 50 10 JEGE CN([C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)S(=O)(=O)N1CCC(Br)CC1 2106778820 HOFWSIPGXCCTAX-NSHDSACASA-N 468.336 2.478 50 10 JEGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ncc(B(O)O)cn1 2220156176 NXEFIEABKZIVPC-NYHFZMIOSA-N 474.326 2.048 50 10 JEGE COc1ccc(C=CC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 2323422692 FYLKWGNYWDOPBL-AWEZNQCLSA-N 452.536 2.452 50 10 JEGE COC(=O)CC(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 20114359 LQAPFFOHSCWMSX-UHFFFAOYSA-N 474.105 2.454 50 10 JEGE O=C(Cl)C1C(C(=O)Cl)C(C(=O)Cl)C(C(=O)Cl)C(C(=O)Cl)C1C(=O)Cl 575448644 GGGPTQJQRQQZPK-UHFFFAOYSA-N 458.892 2.290 50 10 JEGE C[C@H](NC(=O)COc1ccc(C=NNC(=O)C(=O)NCc2ccccn2)cc1)c1ccccc1 1084151285 OOOOGMMTSFJIRI-SFHVURJKSA-N 459.506 2.104 50 10 JEGE Cc1c(C(=O)NNC(=O)c2ccncc2)oc2c1C(=NNC(=O)COc1ccccc1)CCC2 1772748728 DCMHUYTVBJGSEN-UHFFFAOYSA-N 461.478 2.293 50 10 JEGE C=CCOc1ccccc1OCC(=O)NNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 1865851436 BPBGVRUUSAMCDN-UHFFFAOYSA-N 468.535 2.128 50 10 JEGE COc1ccc(OCC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1865851538 DNEFYOKSSVZNTN-UONOGXRCSA-N 470.551 2.379 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1CC[C@H](CBr)C1 1906255649 CSKFFSUVCDZDFA-JCGVRSQUSA-N 461.353 2.494 50 10 JEGE C#CC[C@@](C)(CBr)CNS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2025331223 LZLHDXSKVJNWED-IBGZPJMESA-N 455.374 2.407 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Br)[C@H](C2CC2)C1 2046030296 XDGKZZNBVDFUEU-BXWFABGCSA-N 473.364 2.446 50 10 JEGE CC(C)Oc1cccc(C(=O)NC(=S)NNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 13623603 ATRCICKAWQCSDX-GOSISDBHSA-N 454.552 2.158 50 10 JEGE Cc1cc2c(c(=O)n1CCCN1CCOCC1)[C@]1(C(=O)N(C(C)C)c3ccccc31)C(C#N)=C(N)O2 39919036 SLODSCAEHCVGSI-HHHXNRCGSA-N 489.576 2.006 50 10 JEGE O=C(NNc1ncnc(NNC(=O)c2ccccc2Br)c1[N+](=O)[O-])c1cccnc1 40658355 AQYVQKGOXQWBMD-UHFFFAOYSA-N 473.247 2.056 50 10 JEGE COc1ccc(/C(C)=N/NC(=O)CCCSc2nnc(-c3cccnc3)n2N)cc1OC 58989783 KQYJQXJTGBXHCH-ZVHZXABRSA-N 455.544 2.484 50 10 JEGE CCN(CC)c1ccc(/C=N\NC(=O)[C@H](Sc2n[nH]c(=O)[nH]c2=O)c2ccccc2)cc1 169891679 HGVBXXVQROBNFV-NLKUQUHMSA-N 452.540 2.288 50 10 JEGE COc1ccccc1OCC(=O)NN=C1C(=O)N(CN(C)C)c2ccc(Br)cc21 254759551 NWRXNMUDUVHBNR-UHFFFAOYSA-N 461.316 2.223 50 10 JEGE O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 747369301 GUELFJFGMRVQOX-RTWAWAEBSA-N 491.997 2.245 50 10 JEGE C[C@H](NC(=O)NNC(=O)c1ccc(Br)cc1)c1cccc(S(=O)(=O)N(C)C)c1 1325967837 TXFYQZCUFXFUCY-LBPRGKRZSA-N 469.361 2.405 50 10 JEGE CC(=O)N[C@@H](C(=O)NNC(=O)CSc1ccccc1O)c1cccc(Br)c1 1630787039 XFORDSNUOCIOJH-QGZVFWFLSA-N 452.330 2.272 50 10 JEGE Cc1nc(-c2cnccn2)sc1C(=O)NNC(=O)c1ccc2c(c1)C(=O)N(CC(C)C)C2=O 1865757423 CDRDRDHVVPWFAT-UHFFFAOYSA-N 464.507 2.235 50 10 JEGE O=C(NOCCCN=c1cc(B(O)O)c(Cl)c[nH]1)OCC1c2ccccc2-c2ccccc21 2245912777 HFGVIKGKAKBNMA-UHFFFAOYSA-N 467.718 2.109 50 10 JEGE Nc1c(NNC(=O)COc2ccccc2)ncnc1NNC(=O)c1ccccc1Br 40784965 NNSLTIVWUIEELI-UHFFFAOYSA-N 472.303 2.100 50 10 JEGE COc1ccc(Br)cc1C=NNc1nc(S[C@H](C)C(=O)NNC(=O)C(C)C)n[nH]1 1084248870 MCBCRKBEHAUUCL-SNVBAGLBSA-N 484.380 2.306 50 10 JEGE CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1CNS(=O)(=O)N1CCC(Br)CC1 2106300118 BNQGOPPHANATRG-LBPRGKRZSA-N 462.357 2.325 50 10 JEGE O=C(NOCCCNC(=O)c1sccc1B(O)O)OCC1c2ccccc2-c2ccccc21 2243376360 JBPOXYISNTUPOL-UHFFFAOYSA-N 466.324 2.018 50 10 JEGE O=C(c1cccc(I)c1)N1C[C@@H]2OC[C@@H](CBr)O[C@@H]2C1 2279904567 FLZZUAUILBHNCB-FRRDWIJNSA-N 452.086 2.295 50 10 JEGE COC(=O)c1cc(OC)c(OC)cc1NC=C1C(=O)N(C[C@@H]2CCCO2)C(=O)C(C#N)=C1C 2296535469 ISJXHRNRWSLMLY-AWEZNQCLSA-N 455.467 2.174 50 10 JEGE C=CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)[C@@H](C)Nc2nc3ccccc3s2)cc1 9856820 SADMVKXPQMNAKQ-CYBMUJFWSA-N 459.553 2.022 50 10 JEGE CCCCOc1ccccc1C(=O)NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 13630242 BJUPIYILGWDWHY-OAHLLOKOSA-N 458.540 2.143 50 10 JEGE CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](CNS(=O)(=O)CI)C1 1910107667 OQVWVAGLZXFANJ-SECBINFHSA-N 454.277 2.191 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCC2(CC1)C[C@@H](Br)CO2 2052929995 PPOHIZIOXKKIDL-CQSZACIVSA-N 471.373 2.021 50 10 JEGE CC(C)CNC(=O)/C(C#N)=C/N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(N(C)C)cc1 254309257 NDQMUIYPDOLYEX-TXRNMWAXSA-N 461.613 2.007 50 10 JEGE CC(C)(C)OC(=O)N1CCN(C(=O)NNS(=O)(=O)c2ccc(OC3CCCC3)cc2)CC1 1858082318 YABYXPYLCZDBLK-UHFFFAOYSA-N 468.576 2.464 50 10 JEGE CSCC[C@@H](Br)CCNS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 1937244432 RIABAZOOGZFZPX-ZDUSSCGKSA-N 463.419 2.499 50 10 JEGE COCCNC(=O)C(C#N)=Cc1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1 2297562001 XIGXINGKFHVQML-UHFFFAOYSA-N 468.329 2.190 50 10 JEGE CCOc1ccc(C=CC(=O)NC(=S)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 2313890785 ZAWQBSHGQQTDQP-UHFFFAOYSA-N 459.524 2.460 50 10 JEGE O=S(=O)(CCBr)CCNS(=O)(=O)c1ccc(Br)cc1Cl 2360913843 ORBTWYKIJWSMPK-UHFFFAOYSA-N 469.604 2.191 50 10 JEGE NNC(=O)[C@H]1CC[C@@H](COCc2cc(I)ccc2Br)O1 2367269206 RSKWHUNLFPOMAE-CMPLNLGQSA-N 455.090 2.108 50 10 JEGE CCOc1cc(/C=C(/C#N)c2nn(CCO)c(N)c2C#N)cc(I)c1OC 6600382 UNYVDPCAHQRPQZ-SDQBBNPISA-N 479.278 2.405 50 10 JEGE O=C(N[C@H](C(=O)N/N=C/c1ccccc1[N+](=O)[O-])c1n[nH]c(=O)c2ccccc12)c1ccccc1 27519334 PTMZZUSQJGFKLF-NFCNUSAFSA-N 470.445 2.453 50 10 JEGE COc1cc(C=NNC(=O)c2ccc(CO)nc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 254589338 NQTVDLVADYFFGB-UHFFFAOYSA-N 450.407 2.474 50 10 JEGE CC1=N[C@@]2(C(C)=NNC(N)=O)[C@@H](C[C@@H]3[C@H]4CCC5=CC(=NNC(N)=O)C=C[C@]5(C)[C@@H]4C(=O)C[C@]32C)O1 1083142790 OFEHTJTYDSSXJI-PIKQFVGTSA-N 495.584 2.139 50 10 JEGE C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)N1C[C@H](C(=O)N2CCC[C@H](C(=O)NNc3ccccn3)C2)CC1=O 1872961046 HVTZOZPULMMBCD-RDWCLUPISA-N 453.587 2.437 50 10 JEGE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CCCN2S(=O)(=O)N2CCC(Br)CC2)C1 2106774556 XXRNBJVXFNYBNY-UKRRQHHQSA-N 452.415 2.422 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CNS(=O)(=O)N3CCC(Br)CC3)C[C@@H]21 2140681131 GZHDCXZRJKMMMK-YUELXQCFSA-N 452.415 2.326 50 10 JEGE Cn1cc(C(=O)NNC(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@H]3CCCO3)c2)c2ccccc21 26938381 UCWJWBAHRWVDCC-OAHLLOKOSA-N 490.969 2.364 50 10 JEGE Cc1ccc2c(c1)/C(=N/NC(=O)CCCCC(=O)N/N=C1/C(=O)N(C)c3ccc(C)cc31)C(=O)N2C 38180185 CETMSGCVYOUMHH-UEUMJKGWSA-N 488.548 2.157 50 10 JEGE C/C(=N\NC(=O)CSc1nnc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1N)c1ccc(C)cc1 58991082 MGIRVBDCDMZMDO-CIAFOILYSA-N 470.471 2.416 50 10 JEGE C=CCOc1ccc(C(=O)NNC(=O)CCCC(=O)NNC(=O)c2ccc(OCC=C)cc2)cc1 100135321 LGKXZVYFNUIWPU-UHFFFAOYSA-N 480.521 2.209 50 10 JEGE COc1ccc(C(=O)Oc2cccc(C=NNC(=O)CNS(=O)(=O)c3ccccc3)c2)cc1 254415819 SOZPQAQEKYZQCB-UHFFFAOYSA-N 467.503 2.343 50 10 JEGE O=C(/C=C\c1ccco1)NCC(=O)NN=C1C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21 254620591 TWDHEHMFFVJRSF-DSZMCKKESA-N 472.457 2.205 50 10 JEGE CCOC(=O)CN1C(=O)C(=NNC(=O)Cc2ccc(O)cc2)c2cc(Br)ccc21 254735835 ZBDZSHRRIRJBSS-UHFFFAOYSA-N 460.284 2.127 50 10 JEGE C=CCNS(=O)(=O)c1cc(C(=O)NNC(=O)Nc2ccc(OC(F)F)cc2)ccc1F 1617609563 NPGGXWORXDPNMO-UHFFFAOYSA-N 458.418 2.358 50 10 JEGE C[C@@H]1CCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@@H]1Br 2000540244 DODZLVKNAWJTNP-HNJNHCNJSA-N 461.353 2.446 50 10 JEGE CC[C@@H](C)[C@@H](CI)NS(=O)(=O)c1nn(C)cc1Br 2081254004 RXJIEIPHTDKMCP-VXNVDRBHSA-N 450.140 2.311 50 10 JEGE CC(C)(CI)CN1CCN2C(=O)[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C1 2306820215 BOITWVYKPQFDCU-STQMWFEESA-N 451.349 2.257 50 10 JEGE NNC(=O)c1cn(CCSc2cc(I)ccc2Br)nn1 2363644165 RSFDYEJDIIUJPJ-UHFFFAOYSA-N 468.118 2.041 50 10 JEGE COC(=O)c1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)c(C)c2)c1 10294124 CEJRLENZQYSJGK-UHFFFAOYSA-N 480.340 2.259 50 10 JEGE CCN(CC)c1c(/C=N/NC(=O)CSc2nc(N)cc(N)n2)c(C)nn1-c1ccccc1 253568144 KWIORZUIVZDQBA-WYMPLXKRSA-N 453.576 2.224 50 10 JEGE CCOc1cccc(-c2c(C(=O)NN=Cc3ccc(N(C)C)cc3)nnn2-c2nonc2N)c1 254491947 DBLMNHYJCICSAG-UHFFFAOYSA-N 461.486 2.128 50 10 JEGE C=CCN1C(=O)c2ccc(C(=O)NNC(=O)c3cc(OC)ccc3Br)cc2C1=O 728529306 YLWULEKSXCKBET-UHFFFAOYSA-N 458.268 2.315 50 10 JEGE O=C(CSc1n[nH]c(NN=Cc2cc(Cl)cc(Cl)c2O)n1)NNC(=O)C1CCC1 1084113999 SPRKEHYRPSISLN-UHFFFAOYSA-N 458.331 2.303 50 10 JEGE COC(=O)c1ccc(C=NNC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 1084356272 QVUIYKNPSSXKSL-SFHVURJKSA-N 453.480 2.325 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1CCC[C@@H]1CBr 2000539408 AKASPBQPXZPZQL-DWQUBVKVSA-N 461.353 2.494 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@@H]2[C@@H](CBr)C[C@H]2C1 2005995103 UMDCMKKDKRGHFM-JKIFEVAISA-N 455.374 2.355 50 10 JEGE Cc1cc(CN(C)C(=O)C[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)sc1B(O)O 2268707624 ULFNWZWNRIPUKI-GOSISDBHSA-N 476.404 2.195 50 10 JEGE CC(C)(C)OC(=O)NC1(CC(=O)Nc2ccccc2B(O)O)CCN(Cc2ccccc2)CC1 2283981237 KBPUQYKYMFFOAG-UHFFFAOYSA-N 467.375 2.255 50 10 JEGE COc1cc(Cl)ccc1C(=O)NNC(=O)CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 28692578 JTQGTGBYIRBNJR-UHFFFAOYSA-N 466.885 2.165 50 10 JEGE COc1ccc([C@H](C)NC(=O)/C(C#N)=C\N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1OC 217175898 WOYPYFSUSFCXLC-CIJMEZBMSA-N 484.578 2.295 50 10 JEGE C=CCc1cccc(C=NNC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2N)c1O 1083900325 QMKHIHSPPMJOAK-UHFFFAOYSA-N 453.484 2.244 50 10 JEGE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)Nc3ccccc3C)CC2)cc1 1139311708 ADSXGIXOYPIPBR-UHFFFAOYSA-N 458.540 2.451 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC[C@@H]1COC[C@@H]1Br 2048708343 WYHDYSSXUMFBHV-CJNGLKHVSA-N 473.389 2.028 50 10 JEGE CC(C)(C)OC(=O)N1CCC12CC(CNS(=O)(=O)N1CCC(Br)CC1)C2 2106296853 UWGPKUPPGZATMB-UHFFFAOYSA-N 452.415 2.470 50 10 JEGE CC1(C)CN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@@H](CBr)O1 2108243371 KMBFQTBVZAXXKS-YJYMSZOUSA-N 491.379 2.215 50 10 JEGE Cc1cc(C=C(C#N)C(=O)OCC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)c(C)n1CC(C)C 2297363973 RIBXMKCWXRAMBT-UHFFFAOYSA-N 483.569 2.193 50 10 JEGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CC[C@@H](Br)C[C@@H]1C(F)(F)F 2299694978 AUBRMBNVPJHVKW-ZWNOBZJWSA-N 469.279 2.403 50 10 JEGE Cc1ccc(OCC(=O)NC(=S)NNC(=O)c2ccccc2I)cc1 12502985 LEAOJPAZSKONFC-UHFFFAOYSA-N 469.304 2.314 50 10 JEGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 12572548 XOVKDFRJDONLEQ-UHFFFAOYSA-N 459.484 2.048 50 10 JEGE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NNC(=O)CN(C)C)ccc1Cl 1160727041 FIXCGKNEQIQFKH-UHFFFAOYSA-N 450.948 2.044 50 10 JEGE Cc1cc(B(O)O)sc1CN(C)C(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21 2243684660 DWOYGNXVRSLJOO-UHFFFAOYSA-N 464.352 2.233 50 10 JEGE CCOC(=O)COc1c(I)cc(C=C(C#N)C(=O)N(C)C)cc1OC 2313568571 UUWHWJMGPQRFBG-UHFFFAOYSA-N 458.252 2.237 50 10 JEGE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]2CC[C@H]1N2S(=O)(=O)N1CCC(Br)CC1 2330486959 BYKRKEHNFVPHCH-AEGPPILISA-N 452.415 2.468 50 10 JEGE C/C(N)=C(/C#N)C(=O)COC(=O)C1(S(=O)(=O)c2ccc(Br)cc2)CCCC1 9468686 PEXHJLGACVCZBJ-NTCAYCPXSA-N 455.330 2.404 50 10 JEGE COc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2I)cc1 13979251 OKOTXEVSKFTCJW-UHFFFAOYSA-N 485.303 2.014 50 10 JEGE Cc1cccc(NC(=O)CN2C(=O)/C(=N/NC(=O)C(=O)Nc3ccc(C(=O)O)cc3)c3ccccc32)c1 15777352 WJEDKNJNAIOXAE-QUPMIFSKSA-N 499.483 2.138 50 10 JEGE N#C/C(=C/N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1)C(=O)NCc1ccccc1 254800006 CADIJGPZBWXFBH-XTGPEWBESA-N 452.561 2.485 50 10 JEGE CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NNC(=O)c3scnc3C)cc2)cc1 729452318 CISNLRIQHOPSJF-UHFFFAOYSA-N 472.548 2.207 50 10 JEGE CCc1ccc(N2C[C@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1[N+](=O)[O-] 1872961872 NAFIHCPWGPFZGT-QZTJIDSGSA-N 480.525 2.287 50 10 JEGE CC(C)C[C@H](C(=O)N1CCC[C@H](C(=O)NNc2ccccn2)C1)N1C(=O)c2ccccc2C1=O 1873777325 FJRADMLJCYYUOW-FXAWDEMLSA-N 463.538 2.474 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1C[C@H](CBr)[C@@H]2C[C@@H]12 2048005878 QCVLMFOOXDLKLE-JDZXAGLWSA-N 473.364 2.350 50 10 JEGE CN1[C@H](CCl)N(C(=O)OCc2ccccc2)c2cc(Cl)c(S(N)(=O)=O)cc2S1(=O)=O 2081070997 KJARFGFIMQHIFA-INIZCTEOSA-N 494.378 2.330 50 10 JEGE C[C@@]1(CBr)COCCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2135099007 ZRUSVKQCDABIJO-RBUKOAKNSA-N 491.379 2.074 50 10 JEGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2ccc(B(O)O)cc21 2248416081 LRIWSRBOMHJCPQ-INIZCTEOSA-N 456.307 2.183 50 10 JEGE CC(=C(C(=O)N(N)c1nc2ccccc2s1)C(=O)C(F)(F)F)N1CCC(C(N)=O)CC1 2293465051 NNLHGVRVAVEFAM-UHFFFAOYSA-N 455.462 2.106 50 10 JEGE Cc1c(C(=O)NCCCN2CCOCC2)oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 40812968 ZCUPEQMJSZJCSR-LGUFXXKBSA-N 483.525 2.419 50 10 JEGE Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 102845880 KAGDBNLJVHYWND-WBILKINKSA-N 464.503 2.006 50 10 JEGE O=C(N/N=C1/[C@@H]2[C@H](C(=O)c3cccs3)[C@H]2[C@H]2CO[C@@H]1O2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 575732969 OZCNKKYIDMVWOO-LXJUMLNJSA-N 458.408 2.151 50 10 JEGE C[C@@H](C[S@](C)(=O)=NS(=O)(=O)N1CCC(Br)CC1)NC(=O)OC(C)(C)C 2044694595 WPBHTEAYSZIMDR-BUBHHJDNSA-N 462.432 2.102 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC(F)(F)C[C@H]1CBr 2046023186 QAUKBCCFRFUMAW-ZBEGNZNMSA-N 483.306 2.445 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NCC12CC(CBr)(CO1)C2 2103342806 WENRKRPFODYMSQ-UHFFFAOYSA-N 485.400 2.316 50 10 JEGE COc1cccc(/C=N/Nc2nc(SCC(=O)NNC(=O)c3ccc(Cl)cc3)n[nH]2)c1O 20923513 JSUTZLSJLKMGNC-ZVBGSRNCSA-N 475.918 2.172 50 10 JEGE COc1ccc(OC)c(NC(=O)/C(C#N)=C\N2CCN(S(=O)(=O)c3ccccc3)CC2)c1 217218385 JBZSYWQEOQYHIM-MSUUIHNZSA-N 456.524 2.056 50 10 JEGE CS(=O)(=O)c1cccc(C(=O)NNC(=O)C2CCN(c3nc4ccccc4s3)CC2)c1 727303016 QBYWLZZVBYSTRO-UHFFFAOYSA-N 458.565 2.377 50 10 JEGE O=C(Cn1ncc2ccccc21)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 730520301 KCLQJQRVPCRJSU-UHFFFAOYSA-N 452.478 2.199 50 10 JEGE COc1ccc(OCC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 1865852529 ZZYJLQPRYIWNIS-ZDUSSCGKSA-N 456.524 2.133 50 10 JEGE CC(C)(C)OC(=O)N[C@@H](CNS(=O)(=O)N1CCC(Br)CC1)C(F)(F)F 2044258763 XJIYLPKMBVULMN-JTQLQIEISA-N 454.309 2.136 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@@H](Br)C2(CCOCC2)C1 2117750793 ZEKCQBXNGCLNHX-QGZVFWFLSA-N 485.400 2.269 50 10 JEGE O=C(N[C@H]1CS(=O)(=O)C[C@@H]1Br)c1cc(Cl)ccc1I 2121336109 DXLBLGBMQZJYBC-WPRPVWTQSA-N 478.533 2.235 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1C[C@@H]2C[C@H]1C[C@@H]2Br 2310032898 FJBWOTULWAKVOL-GLJDYUSFSA-N 473.364 2.492 50 10 JEGE COc1cccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CSc2ccc(C)cc2)c1O 254501433 UIZWCEXYDWGYAZ-UHFFFAOYSA-N 480.510 2.311 50 10 JEGE O=C1NC(=O)[C@@H](c2cc(I)cc(I)c2)[C@H]1Cl 709818842 IDOFUCBKKBSPSP-JGVFFNPUSA-N 461.424 2.243 50 10 JEGE Cc1ccc(S(=O)(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1860770718 UGCAFMJMCUXFJX-UONOGXRCSA-N 460.581 2.462 50 10 JEGE O=S(=O)(c1cnn(CCCBr)c1)N1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 2179794922 LZFMYJFIKXEIGD-QZTJIDSGSA-N 453.406 2.421 50 10 JEGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CCC(CBr)(C(F)F)CC1 2251536598 SSPUNRHGGBYAOH-UHFFFAOYSA-N 465.316 2.355 50 10 JEGE CC(C)(C)OC(=O)NCCSSCCN[C@]1(C(=O)O)COC[C@H]1NC(=O)OC(C)(C)C 2306409712 ZQCHNQDXXGUINY-BFUOFWGJSA-N 481.637 2.229 50 10 JEGE NNC(=O)[C@@H]1CC[C@H](COCc2ccc(I)c(Br)c2)O1 2377634342 HQEQBRJPDKNECB-SKDRFNHKSA-N 455.090 2.108 50 10 JEGE O=C(COc1ccc(Br)cc1)NC(=S)NNC(=O)c1cccc([N+](=O)[O-])c1 12571987 QFBHJTCBYCBVHF-UHFFFAOYSA-N 453.274 2.072 50 10 JEGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H](Br)C2=O 39753028 LPCXJKSHMOKHPG-ZMYBRWDISA-N 452.305 2.444 50 10 JEGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)N2CCCN(C(C)C)CC2)cc1 727805777 AAPLIWKXDRXCOK-HMMYKYKNSA-N 464.570 2.284 50 10 JEGE C=CCNS(=O)(=O)c1cc(C(=O)NNC(=O)c2cccc(Br)c2)ccc1F 1148508283 HXHQIKBUCUVUMT-UHFFFAOYSA-N 456.293 2.127 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2C[C@H](C[C@H]2Br)C1 2046023901 WFDBAPFYFCVLNV-UESRRSCYSA-N 473.364 2.446 50 10 JEGE O=S(=O)(c1n[nH]cc1CBr)N1CCCN(Cc2ccccc2)CCOCC1 2179870228 JASVNEFMHZPJIG-UHFFFAOYSA-N 457.394 2.218 50 10 JEGE CC(C)(C)OC(=O)N1CC(N(OCc2ccccc2)C(=O)c2cccc(Cl)c2B(O)O)C1 2256100062 XNRXIIKIYKFOLS-UHFFFAOYSA-N 460.723 2.213 50 10 JEGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@@H]2OC[C@@H](CBr)[C@@H]2C1 2364228041 HUOXDOMBMRQCDC-CSMHCCOUSA-N 471.975 2.427 50 10 JEGE Cc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(O)cc2)cc1I 13977121 GHACZNRVFHPGOL-UHFFFAOYSA-N 455.277 2.255 50 10 JEGE CCOC(=O)C1=NO[C@@H](Cc2c(C=NNC(=O)c3ccccc3O)c3c(c(OC)c2OC)OCO3)C1 254630171 QQRQTYDKAJRIHH-ZDUSSCGKSA-N 499.476 2.153 50 10 JEGE O=C(CSc1nc2ccccc2o1)NN=C1C(=O)N(CN2CCOCC2)c2ccccc21 254871285 UMFISOUEKMXJDR-UHFFFAOYSA-N 451.508 2.077 50 10 JEGE Cc1c(C(=O)NCCCN2CCOCC2)oc2c1C(=NNC(=O)Cc1ccccc1)CCC2 1772749636 WSBLXRGLUHKSSY-UHFFFAOYSA-N 452.555 2.439 50 10 JEGE C[C@@H]1CCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)[C@H]1CBr 2000539640 BMXFCGAEVONAMM-HNJNHCNJSA-N 461.353 2.446 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H]2CC[C@]2(CBr)C1 2021645226 JYVVFLOHSIHRRL-KUHUBIRLSA-N 455.374 2.500 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCC(OCCBr)CC1 2029232767 LTYFGRDCDRIKOF-UHFFFAOYSA-N 473.389 2.269 50 10 JEGE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)cc1B(O)O 2256621119 QPGTWCRNBHXQCV-AUUYWEPGSA-N 462.739 2.457 50 10 JEGE CC(C)(C)OC(=O)NC1CN(C2CCN(CCOCCI)CC2)C1 2306801005 BSZRQGVFDSNNET-UHFFFAOYSA-N 453.365 2.111 50 10 JEGE COc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)c3cn(C)c4ccccc34)CC2)cc1 15092935 RJZRBQQLXISFMD-UHFFFAOYSA-N 470.551 2.049 50 10 JEGE O=C(N/N=C1\C(=O)N(CN2CCOCC2)c2ccccc21)c1c(F)c(F)c(F)c(F)c1F 20530755 IFMINZAVEVAPHH-ITYLOYPMSA-N 454.355 2.153 50 10 JEGE O=C(NN=C1[C@H]2OC[C@@H](O2)[C@@H]2[C@@H](C(=O)c3ccccc3)[C@@H]12)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 252596491 CIZRBZQICZJVBQ-FMWYQGOYSA-N 452.379 2.089 50 10 JEGE O=C(CSc1nnc(N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[nH]1)NNc1ccc(F)cc1 253560895 BKBQJLORAOTLQR-UFWORHAWSA-N 475.422 2.442 50 10 JEGE O=C(CNC(=O)c1cccc(F)c1)NN=C1C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21 254487858 TWCRZOYVVBFSRV-UHFFFAOYSA-N 474.448 2.352 50 10 JEGE CO[C@H]1C[C@@H](CBr)N(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 703965662 SIQJDCBEWRSNHE-KBPBESRZSA-N 473.389 2.123 50 10 JEGE CO[C@]1(CBr)CCCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 2029233341 RVACNDQPTZROTB-IBGZPJMESA-N 473.389 2.269 50 10 JEGE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)Nc1cc(B(O)O)ccc1Cl 2256642196 UWEMYZPMMVWWNC-KRWDZBQOSA-N 462.739 2.459 50 10 JEGE C[C@@H](c1cscc1B(O)O)N(C)C(=O)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2268613379 SDKIDLQSYUOGHI-WMZOPIPTSA-N 476.404 2.448 50 10 JEGE CC(C)(C)OC(=O)N1CCC[C@H](OCCNS(=O)(=O)N2CCC(Br)CC2)C1 2290021676 CSWNTEHGWDVZLV-HNNXBMFYSA-N 470.430 2.096 50 10 JEGE N#CC(=CN[C@@H]1CCS(=O)(=O)C1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2318454709 FBMNYMIXGVONTJ-HSZRJFAPSA-N 464.591 2.104 50 10 JEGE COC(=O)c1cc(Nc2ncnc(NNC(=O)Cc3ccccc3)c2N)cc(C(=O)OC)c1 40705834 TZULLSKDVJSUEC-UHFFFAOYSA-N 450.455 2.061 50 10 JEGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(CBr)cc2)[C@@H](C(=O)O)C1 95086943 ZZOVCQOJRJVKEB-CQSZACIVSA-N 463.350 2.276 50 10 JEGE CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cccnc2)cc1 254527969 KUZOXYRSVUWJCA-UHFFFAOYSA-N 479.562 2.424 50 10 JEGE Cc1cc(Cl)ccc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1 1084025678 GDGPJTSLFTURJC-IBGZPJMESA-N 472.929 2.411 50 10 JEGE C#Cc1cccc(NC(=S)NNC(=O)c2cn(CCCCNC(=O)OC(C)(C)C)nn2)c1 1154050627 RLEAQBLOVSLEFV-UHFFFAOYSA-N 457.560 2.196 50 10 JEGE CCC[C@@H]1C[C@H](C(=O)N[C@H]([C@@H](C)Cl)[C@H]2O[C@H](SC)[C@@H](O)[C@@H]3OC(C)(C)O[C@H]32)N(C)C1 1848432655 HCPHMGDEJJICGS-PDHNTLBMSA-N 465.056 2.188 50 10 JEGE COc1ccc(CCC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1OC 1860769861 JWXRLFMIOAEDHW-AWEZNQCLSA-N 484.578 2.380 50 10 JEGE COc1cc2c(/C=N/NC(=O)CCc3nc4ccccc4[nH]c3=O)c(C(=O)O)n(C)c2cc1OC 1873496406 PVPYVKMXFJBXCK-BRJLIKDPSA-N 477.477 2.213 50 10 JEGE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCc2cc(B(O)O)ccc21 2283973940 WVOLGNKGFSVSCI-JTSKRJEESA-N 468.359 2.144 50 10 JEGE N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc(OCC(N)=O)cc2)[C@@H]2CN(Cc3ccccc3)CC=C12 107010385 OMDGBCBKXZNJBW-NOZRDPDXSA-N 464.529 2.476 50 10 JEGE COc1ccc(C=NNC(=O)CNC(=O)c2cccc(F)c2)cc1I 252622580 NYKXLIQEQDUUFH-UHFFFAOYSA-N 455.227 2.319 50 10 JEGE COc1cc(C(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)ccc1OCC(N)=O 727951146 QXLOLZDFHSSZQA-UHFFFAOYSA-N 467.453 2.352 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@](C)(CBr)C1 2000541296 RXAGRUFKGDNTCB-ZWKOTPCHSA-N 461.353 2.448 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CBr)C(F)(F)F 2000545161 RCDKZKSPZNGLPE-SMDDNHRTSA-N 475.258 2.256 50 10 JEGE O=C(N[C@H]1CS(=O)(=O)C[C@H]1Br)c1ccc(I)c(Cl)c1 2121339336 ZADPAHKJOWNWKA-XCBNKYQSSA-N 478.533 2.235 50 10 JEGE CN(CCCBr)S(=O)(=O)N1CCOCC12CCN(Cc1ccccc1)CC2 2179866204 DHVCLIMCLMIDLR-UHFFFAOYSA-N 460.438 2.315 50 10 JEGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCc2cccc(B(O)O)c21 2283978314 AQMNZVFTXKWEGT-LAUBAEHRSA-N 468.359 2.144 50 10 JEGE Cc1c(Br)c2ccccc2n1CC(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12 108216422 KQZKRMDMAAEZMI-UHFFFAOYSA-N 454.284 2.410 50 10 JEGE COc1cc(OC)c(C=NNC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)cc1Br 1084128548 RTMFCMQZMICPRS-UHFFFAOYSA-N 494.342 2.293 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@H](CCBr)C(F)F 1918567022 LABYTINZXYGDIL-CYBMUJFWSA-N 453.305 2.401 50 10 JEGE C[C@H]1CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C[C@H](CBr)O1 2029233227 QJKWLKNJOLTPAJ-GJZGRUSLSA-N 473.389 2.267 50 10 JEGE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@H](CNS(=O)(=O)N1CCC(Br)CC1)C2 2117679296 ZQZUHEJDOALADA-QEJZJMRPSA-N 452.415 2.468 50 10 JEGE Cc1csc(CN(C)C(=O)C2(COCc3ccccc3)CN(C(=O)OC(C)(C)C)C2)c1B(O)O 2284136794 GVGNZFOANFUZLQ-UHFFFAOYSA-N 488.415 2.149 50 10 JEGE COC[C@H](CBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301116795 JDIMYVKTPIMCJN-AWEZNQCLSA-N 461.378 2.172 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@H]2OC[C@H](CCl)[C@H]2C1 2364212826 ARUVFTBCNPNXPM-KFKAGJAMSA-N 454.976 2.358 50 10 JEGE CCN1CCN(c2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)NCc2ccccc2)CC1 33371562 PWAVUXJCNOZCFF-PGMHBOJBSA-N 456.550 2.368 50 10 JEGE CCCN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccccc2Br)c2cc(OC)ccc21 38180340 HEGSFRRQVPSOQR-PLRJNAJWSA-N 473.327 2.465 50 10 JEGE CC(C)COc1ccccc1/C=N\NC(=O)[C@@H](Sc1n[nH]c(=O)[nH]c1=O)c1ccccc1 169891722 FIZSGYVQTJCWHF-NVIPHDJISA-N 453.524 2.477 50 10 JEGE COc1ccc(C(C)=NNC(=O)c2nnn(-c3nonc3N)c2-c2cccs2)cc1[N+](=O)[O-] 254305701 VYNXAKYNSYJOQX-UHFFFAOYSA-N 469.443 2.032 50 10 JEGE COc1cc(C=NNC(=O)CCCSc2nnc(-c3cccc([N+](=O)[O-])c3)n2N)ccc1O 1083992597 TTXHFKPALYCCHB-UHFFFAOYSA-N 471.499 2.304 50 10 JEGE C=CC[C@@]1(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CCCN1C(=O)OC(C)(C)C 1360182243 JCTBPXBKUKMRKG-QHCPKHFHSA-N 458.563 2.186 50 10 JEGE C#CCN1CCN(C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(OC)c(OC)c2)CC1 1643134406 ZEFSXSTUTILTRE-HMMYKYKNSA-N 458.522 2.165 50 10 JEGE C[C@H](Br)C[C@@H]1COCCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2065577686 UMQUCZWYORIYGG-LSDHHAIUSA-N 473.389 2.267 50 10 JEGE CC(C)[C@H](Br)C(=O)N=[S@](=O)(N(C)C)N1CCN(C(=O)OC(C)(C)C)CC1 2106590655 JHONEWOUQOJTQL-NRRJATNASA-N 455.419 2.345 50 10 JEGE CC(C)(C)OC(=O)NC[C@@H]1CC[S@@](=O)(=NS(=O)(=O)N2CCC(Br)CC2)C1 2106776167 FJQAEVRMCOIKRW-VDBVYFBLSA-N 474.443 2.103 50 10 JEGE Cc1cc(CN(C)C(=O)C[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)sc1B(O)O 2268702304 ULFNWZWNRIPUKI-GOSISDBHSA-N 476.404 2.195 50 10 JEGE CC(C)(C)OC(=O)N1CC([C@@H]2C(=O)NCCN2CCCCCI)C1 2306852640 MTRBWWOUBXYAHK-CQSZACIVSA-N 451.349 2.259 50 10 JEGE CN1CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1CBr 2338846387 YNYUOCDTSGEOPC-INIZCTEOSA-N 486.432 2.184 50 10 JEGE O=C(CC[C@@H](O)c1ccccc1)NN=C[C@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O 1084342452 UGPUPONUHBMYRJ-DLBZAZTESA-N 458.927 2.320 50 10 JEGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(N3C(=O)CCC3=O)c(C)c2)cc1 1200515043 BHFFFXZMKWAMGK-HNNXBMFYSA-N 452.467 2.471 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Br)C2(CC2)C1 2000540401 FFJPLACOKJXOEX-WMLDXEAASA-N 459.337 2.200 50 10 JEGE COC[C@]1(CNS(=O)(=O)N2CCC(Br)CC2)CCCN1C(=O)OC(C)(C)C 2162588605 HYRVZHANKKOQRO-QGZVFWFLSA-N 470.430 2.096 50 10 JEGE Cc1sc(CN(C)C(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)c(B(O)O)c1C 2268712886 XUWBJDXERZCMSD-SFHVURJKSA-N 476.404 2.113 50 10 JEGE N#C/C(=C/c1c(N2CCN(c3ccccc3)CC2)nc2ccccn2c1=O)C(=O)NC[C@@H]1CCCO1 33934497 HFHNPYZKVIHTBC-DBJZRZIFSA-N 484.560 2.223 50 10 JEGE O=C(CC[C@H](O)c1ccccc1)N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O 100453767 UGPUPONUHBMYRJ-UVWPKEFOSA-N 458.927 2.320 50 10 JEGE CCOc1cccc(-c2c(C(=O)NN=C(C)c3ccc(O)c(OC)c3)nnn2-c2nonc2N)c1 254477833 VHWGZTXEZHUUCM-UHFFFAOYSA-N 478.469 2.166 50 10 JEGE O=S(=O)(CI)N[C@@H]1CN(Cc2ccccc2)[C@@]2(CCCOC2)C1 1983330250 CWKSFMIULWFABJ-HOTGVXAUSA-N 450.342 2.122 50 10 JEGE CCc1cc(B(O)O)ccc1NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2268653368 LZQKQDLCPHFRNM-IERDGZPVSA-N 456.348 2.366 50 10 JEGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1ccc(B(O)O)cc1 2317597743 YJPBYGATZAPSLE-VWLOTQADSA-N 472.350 2.342 50 10 JEGE COc1cc(C=NNC(=O)Cc2c(C)nc(O)nc2O)cc(Br)c1OC(C)C 2323719150 RHNMYCDARZWBQZ-UHFFFAOYSA-N 453.293 2.447 50 10 JEGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)C=CC(=O)O)cc2)cc1 2325751788 MFEFWWVEVBDJTF-UHFFFAOYSA-N 460.493 2.027 50 10 JEGE COCCNC(=O)Cn1cc(/C=C(/C#N)C(=O)NCc2ccc3c(c2)OCO3)c2ccccc21 6136179 MAJLTNSQERUDEJ-WQRHYEAKSA-N 460.490 2.356 50 10 JEGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)CCC(=O)Nc2ccccc2)cc1OC 13977341 QRITUQFYQASSAD-PKNBQFBNSA-N 456.524 2.158 50 10 JEGE Nn1c(SCC(=O)NN=Cc2ccc(O)cc2O)nnc1-c1ccc(Br)cc1 1083872359 NCBJZQZMTAGSBS-UHFFFAOYSA-N 463.317 2.075 50 10 JEGE CCN(CC)C(=O)CN1C(=O)C(=NNC(=O)CCc2ccc3c(c2)OCO3)c2ccccc21 1084292271 IDJDLBVAVSTGRZ-UHFFFAOYSA-N 450.495 2.083 50 10 JEGE C=CCNC(=S)NNC(=O)CSc1nnc(COc2ccccc2)n1Cc1ccco1 1540445004 MRVVFIYIJIQAHR-UHFFFAOYSA-N 458.569 2.272 50 10 JEGE CC(C)(C)OC(=O)NC[C@H]1CN(S(=O)(=O)CI)C2(CCOCC2)C1 2007723582 XAUOVUOPPVLLAP-LBPRGKRZSA-N 474.361 2.105 50 10 JEGE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H](C)c1cscc1B(O)O 2268656344 WEXQOSFUXXRHHO-GUXCAODWSA-N 476.404 2.446 50 10 JEGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)C=Cc2cccc([N+](=O)[O-])c2)cc1 2313860754 MWMMAQSWSYXANV-UHFFFAOYSA-N 486.506 2.276 50 10 JEGE COc1ccc(C(=O)NNC(=S)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1Br 12502277 IRJSTSLIMFZDCK-UHFFFAOYSA-N 498.271 2.223 50 10 JEGE N#C/C(=C/c1c(N2CCC(C(N)=O)CC2)nc2ccccn2c1=O)S(=O)(=O)c1ccc(Cl)cc1 102687234 GHPZCWLFNNNIMD-AQTBWJFISA-N 497.964 2.388 50 10 JEGE Cc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCC(Cc3ccccc3)CC2)o1 254557833 DLRNSAPTIFEJKL-UHFFFAOYSA-N 489.540 2.353 50 10 JEGE C=C[C@](C)(O)C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 1540496111 GFHBVMAILBVEFP-SFHVURJKSA-N 457.430 2.204 50 10 JEGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1cc(B(O)O)cs1 1901485132 HIEVCIJBUODIKF-JOCHJYFZSA-N 464.352 2.361 50 10 JEGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1C[C@H]2CCCC[C@]2(CBr)C1 2216721492 AVBWJYUSQRCBCP-KUHUBIRLSA-N 455.374 2.500 50 10 JEGE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](CNC(=O)N2CCC(Br)CC2)[C@H]1OC 2279391494 NLMXTCWHTVRJOZ-RRFJBIMHSA-N 450.374 2.205 50 10 JEGE Cc1cc(NC(=O)[C@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)ccc1B(O)O 2283983350 JETLPASXVDRFGM-RUZDIDTESA-N 468.359 2.457 50 10 JEGE COc1ccc(CC(=O)NC(=S)NNC(=O)c2ccc(OC)c(I)c2)cc1 12503584 QGLQVXDMYPLJRD-UHFFFAOYSA-N 499.330 2.187 50 10 JEGE Nn1c(SCC(=O)N/N=C/c2cc(Cl)ccc2O)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 58990237 IMGYTYVXECOIGZ-IFRROFPPSA-N 492.861 2.077 50 10 JEGE CCN(CC)C(=O)CN1C(=O)/C(=N\NC(=O)CCc2ccc(OC)cc2O)c2ccccc21 59166561 FWQBGEQKMNAAOF-RWEWTDSWSA-N 452.511 2.069 50 10 JEGE CNS(=O)(=O)c1ccc(/C=C\C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)cc1 98001959 YRQMUFVUBUCGPB-ZROIWOOFSA-N 455.492 2.241 50 10 JEGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1/C(=N/NC(=O)c1ccncc1)CCC2 101604770 ZFRYOXRBONJQNL-PCLIKHOPSA-N 476.449 2.436 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@@H]2C[C@H](C[C@H]2Br)C1 1999843826 PHZDANCOTVEMAL-JKIFEVAISA-N 455.374 2.498 50 10 JEGE Cc1cccc(C(=O)N2CCN(CCBr)C(=O)C2)c1I 2171080049 XJMWZJAYOTYJJZ-UHFFFAOYSA-N 451.102 2.279 50 10 JEGE C[C@@]1(CBr)C=CCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2215694306 VQDCJDZSQPONOP-MSOLQXFVSA-N 459.337 2.366 50 10 JEGE O=C(NOCCCNC(=O)c1cscc1B(O)O)OCC1c2ccccc2-c2ccccc21 2243346769 CKAXQWSXYFDZJZ-UHFFFAOYSA-N 466.324 2.018 50 10 JEGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)Nc1cc(B(O)O)ccc1Cl 2256666638 UWEMYZPMMVWWNC-QGZVFWFLSA-N 462.739 2.459 50 10 JEGE NNC(=O)c1coc(COCc2cc(I)ccc2Br)n1 2367269959 ZZGXZJVTGDFKRS-UHFFFAOYSA-N 452.046 2.362 50 10 JEGE COC(=O)c1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2C)c1 10294181 CHUZFHVSVAFVAU-UHFFFAOYSA-N 480.340 2.259 50 10 JEGE Cc1ccc(S(=O)(=O)N2CCN(/C=C(/C#N)C(=O)N3CCN(Cc4ccccc4)CC3)CC2)cc1 217257744 OPBJZBPTVYXUJI-FLFQWRMESA-N 493.633 2.053 50 10 JEGE COc1ccc(Br)cc1C=NNC(=O)CSc1nnc(-c2cccnc2)n1N 1084574475 JTSIMSQLSFBVPJ-UHFFFAOYSA-N 462.333 2.067 50 10 JEGE C[C@H]1CCc2c(sc3ncn(CC(=O)NNS(=O)(=O)c4cccc(Cl)c4)c(=O)c23)C1 1860770785 XERIIDLHZWPYCE-NSHDSACASA-N 466.972 2.246 50 10 JEGE Cc1nc(-c2cnccn2)sc1C(=O)NNC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1865845312 PWSVLMNKQPZMNT-LLVKDONJSA-N 495.590 2.266 50 10 JEGE CCc1cccc(C)c1N1C[C@@H](C(=O)NNC(=O)Cn2cnc3sc(C)c(C)c3c2=O)CC1=O 1865852227 PQRPLIJQWPJNET-KRWDZBQOSA-N 481.578 2.146 50 10 JEGE C[C@@]1(CBr)COCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2049905667 GWZDILACAVJHSU-LJQANCHMSA-N 473.389 2.269 50 10 JEGE CC(C)(C)OC(=O)N1C[C@H]2CC[C@]2(CNS(=O)(=O)N2CCC(Br)CC2)C1 2136065051 LBUIJNQLNVCOII-DYVFJYSZSA-N 452.415 2.327 50 10 JEGE C[P@@]1(=O)C[C@H](NS(=O)(=O)Cc2ncsc2Br)[C@@H](Br)C1 2226104364 GSEASPQXISLBRR-OLIMHSOTSA-N 452.130 2.464 50 10 JEGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2ccc(B(O)O)cc21 2248397515 LRIWSRBOMHJCPQ-MRXNPFEDSA-N 456.307 2.183 50 10 JEGE COc1ccc([C@@H](C)NC(=O)C(C#N)=CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 2325068270 CXQAVPQGNZKOLX-GOSISDBHSA-N 454.552 2.286 50 10 JEGE CCOCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccccc1Cl 9826265 OSZDVAFGBSXUIR-UHFFFAOYSA-N 451.932 2.470 50 10 JEGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2ccccc2[N+](=O)[O-])ccc1Br 12501263 DJAQDWITPUSXHW-UHFFFAOYSA-N 467.301 2.380 50 10 JEGE CC[C@@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)c1 13630312 BLLBOUODOFXCLR-ZBFHGGJFSA-N 458.540 2.141 50 10 JEGE C[C@H](Sc1nnc(Cn2nnc3ccccc32)n1-c1ccccc1)C(=O)NNC(=O)C1CCC1 59878242 LECQWHHMCZJGSM-HNNXBMFYSA-N 476.566 2.488 50 10 JEGE Cc1ccc(NC(=O)C(=O)NN=C2C(=O)N(CC(=O)Nc3ccccc3)c3ccccc32)cc1 263626286 GDGMHASWTYGOFZ-UHFFFAOYSA-N 455.474 2.439 50 10 JEGE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NNC(=O)c2cnn(-c3ccccc3)c2)cc1 1465258989 HPFCHJCCDRHNRF-UHFFFAOYSA-N 454.512 2.145 50 10 JEGE C#CCCCC(=O)NNC(=O)c1nnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1C(F)F 1646467899 KNUKDTJTCYVIER-UHFFFAOYSA-N 454.478 2.352 50 10 JEGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C2)C1 1872960125 BSMFHRXQVXDILC-CABCVRRESA-N 486.916 2.378 50 10 JEGE C[C@@H]1CCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@@H]1Br 2000540247 DODZLVKNAWJTNP-MRAWALMUSA-N 461.353 2.446 50 10 JEGE CC1(C)[C@@H](CBr)OCCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2108231604 RDTQDYQKDKPBRF-DNVCBOLYSA-N 491.379 2.215 50 10 JEGE CN(C)C[C@@H]1C[C@H](Br)CN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2122389562 FDFNSBUMFGLQOQ-HOTGVXAUSA-N 486.432 2.182 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](Cl)C2(CCOCC2)C1 2174370242 CKNSYEMKFCCUFQ-APWZRJJASA-N 458.939 2.060 50 10 JEGE O=C(N[C@@H]1CS(=O)(=O)C[C@H]1Br)c1ccc(Cl)c(I)c1 2268356663 HIXVZMUJJKTKDF-GMSGAONNSA-N 478.533 2.235 50 10 JEGE COC(=O)CC1=NN(c2ccccc2)C(=O)C1=C(C)NNC(=O)c1cc(OC)c(OC)c(OC)c1 2295489459 DBFFHPOLZOHLEB-UHFFFAOYSA-N 482.493 2.187 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H]1COCC[C@H]1Br 2316819213 YULZRNGAJAOOPH-SJORKVTESA-N 473.389 2.315 50 10 JEGE CC(=O)NNC(=O)[C@H](C)Sc1n[nH]c(NN=Cc2ccc(OCc3ccccc3)cc2)n1 1083996737 GICXDUVMLXRBCG-AWEZNQCLSA-N 453.528 2.478 50 10 JEGE C#Cc1cccc(NC(=S)NNC(=O)c2nn(-c3ccc(OCCOC)cc3)nc2C)c1 1303280814 QISBMOGTLHHQES-UHFFFAOYSA-N 450.524 2.214 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCN(CCCBr)CC1 2113613903 UQTFMHPABGFOSX-UHFFFAOYSA-N 486.432 2.041 50 10 JEGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)Nc1ccc(B(O)O)c(F)c1F 2268705290 CEMVHBBYMKZALC-OAHLLOKOSA-N 464.274 2.083 50 10 JEGE COc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2[N+](=O)[O-])cc1I 14033847 INFYFRBQTZDHEG-SNVBAGLBSA-N 485.234 2.437 50 10 JEGE C[C@@H](C(=O)NNC(=O)c1cc(Br)cn1C)n1c(S)nnc1-c1cccs1 109546821 ROXKYEICRWXMFT-QMMMGPOBSA-N 455.363 2.419 50 10 JEGE C#Cc1cccc(NC(=S)NNC(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)c1 727500258 SYBFYYKDCFXUNO-UHFFFAOYSA-N 471.336 2.434 50 10 JEGE CC(=O)N[C@@](C)(C(=O)NNC(=O)c1ccc2ccccc2c1)c1ccc(S(C)(=O)=O)cc1 1141915152 QRSMCRLJSHSDNK-HSZRJFAPSA-N 453.520 2.056 50 10 JEGE CCc1nn(CC)c2c1[C@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865687093 JFYIYUPWVXMNQS-OAQYLSRUSA-N 453.543 2.403 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H](C2CC2)[C@@H](Br)C1 1943031034 RDNQJIXWHTURRM-SJORKVTESA-N 455.374 2.498 50 10 JEGE CC1(CBr)CC(NS(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2007014673 HWFODLQTIUYMLT-ZZHQXOFYSA-N 461.353 2.494 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@H]2CN(S(=O)(=O)N3CCC(Br)CC3)CC[C@@H]21 2106772891 PGUHQOVVMRFMDF-ZFWWWQNUSA-N 452.415 2.422 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@]12CC[C@@](CBr)(C1)OC2 2133655387 CHROIAMUEPAAQY-PMACEKPBSA-N 485.400 2.459 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)Nc2ccc(F)cc2B(O)O)C1 2283983483 KOOGPAYGWIQUCM-XMMPIXPASA-N 472.322 2.288 50 10 JEGE CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NNc2cccc(F)c2[N+](=O)[O-])cc1 1297451347 SZHDDEQIRKXQPS-UHFFFAOYSA-N 452.464 2.481 50 10 JEGE CC(=O)NCCC(=O)N[C@H](Cc1ccc(OC(C)=O)cc1)C(=O)Nc1ccc(SC#N)cc1 1866803517 XVEPLEFCEJAGSF-OAQYLSRUSA-N 468.535 2.377 50 10 JEGE N#CSc1ccc(NC(=O)[C@@H](CO)NC(=O)CCS(=O)(=O)c2cccc(Cl)c2)cc1 1866887805 XLNNIAKPEBKELT-QGZVFWFLSA-N 467.956 2.193 50 10 JEGE Cc1cc(Cl)c(B(O)O)cc1NC(=O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2268642036 DFXNZBUKHSNJOE-FQEVSTJZSA-N 475.782 2.292 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)Nc2ccc(B(O)O)cc2F)C1 2284015571 PDLKCGBOVQJRCJ-DEOSSOPVSA-N 472.322 2.288 50 10 JEGE CC(=O)NNC(=O)[C@@H](C)Sc1n[nH]c(N/N=C/c2ccc(COc3ccc(F)cc3)o2)n1 59880246 LOLIRHVRTXKXRD-CPOBKIPGSA-N 461.479 2.210 50 10 JEGE CCCOc1ccc(-c2c(C(=O)NN=Cc3cccc(OC)c3)nnn2-c2nonc2N)cc1 254438965 JASCVUQEAFTYTM-UHFFFAOYSA-N 462.470 2.461 50 10 JEGE COc1ccc(C(C)=NNC(=O)c2nnn(-c3nonc3N)c2CN(C)c2ccccc2)cc1 254520154 XRVKUQKBKPCXDY-UHFFFAOYSA-N 461.486 2.032 50 10 JEGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3csc(Br)c3)cc2)CC1 728214093 LGTKZUHRPNRZAD-UHFFFAOYSA-N 459.391 2.204 50 10 JEGE C=CC1(CC(=O)NNC(=O)Nc2ccc(S(C)(=O)=O)cc2)CN(C(=O)OC(C)(C)C)C1 1448298411 JJGCDFCRNRLDCB-UHFFFAOYSA-N 452.533 2.056 50 10 JEGE COc1ccc(OCC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1865851540 DNEFYOKSSVZNTN-ZIAGYGMSSA-N 470.551 2.379 50 10 JEGE CC(C)C[C@@H](C(=O)N1CCC[C@@H](C(=O)NNc2ccccn2)C1)N1C(=O)c2ccccc2C1=O 1873777327 FJRADMLJCYYUOW-XLIONFOSSA-N 463.538 2.474 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC(CBr)CC1 2000532297 INKJOCHBZUOZRR-SFHVURJKSA-N 461.353 2.448 50 10 JEGE CCN1CCC[C@@H]([C@@H](Br)c2cnn(C)c2I)S1(=O)=O 2089516395 WULQCMOSADBBBF-UWVGGRQHSA-N 462.151 2.275 50 10 JEGE COc1ccc(OCC(=O)NNC(=S)NC(=O)CCCC(=O)OCCCc2ccccc2)cc1 14016285 CIUSBHOKNCQGTB-UHFFFAOYSA-N 487.578 2.442 50 10 JEGE CC(C)S(=O)(=O)CCC(CBr)(CBr)[C@@H]1CCS(=O)(=O)C1 232696410 YJMSBBGOYQUKHI-LLVKDONJSA-N 454.246 2.411 50 10 JEGE COc1cccc(C=NNC(=O)[C@@H]2CCCN(C(=S)NN[C@H]3C[C@H]4C=C[C@H]3C4)CC2)c1O 254513487 KMHGIAGHSMGURL-ZMMAXQRCSA-N 457.600 2.297 50 10 JEGE CC(=O)O[C@@H]1[C@@H](OC(C)=O)O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OC(C)=O)[C@H]1OC(C)=O 616586657 RDLYSPHPIQHWLE-JKEDJMADSA-N 462.568 2.091 50 10 JEGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NCc2ccc(N(C)C)nc2)cc1 920853688 FHRPTYFIFYLPFJ-XDHOZWIPSA-N 473.537 2.118 50 10 JEGE CC#CCS(=O)(=O)c1cccc(C(=O)NNC(=O)c2cc(F)ccc2Br)c1 1542841850 JJBQOXUGOLSBPF-UHFFFAOYSA-N 453.289 2.460 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1CCC[C@H]1CBr 2000539414 AKASPBQPXZPZQL-PNPHSEOMSA-N 461.353 2.494 50 10 JEGE O=S(=O)(N[C@H]1CN(Cc2ccccc2)[C@]2(CCOC2)C1)N1CCC(Br)CC1 2162210794 DLCLZWZVVSDABV-RTBURBONSA-N 458.422 2.114 50 10 JEGE Cc1cc(F)c(B(O)O)cc1C(=O)NCCCONC(=O)OCC1c2ccccc2-c2ccccc21 2270429195 JOPCLHPBADSRDO-UHFFFAOYSA-N 492.312 2.404 50 10 JEGE Cc1cccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 2296720258 GIWBBNTXTJTIQG-QGZVFWFLSA-N 464.503 2.006 50 10 JEGE O=C(NC1(C(=O)Nc2ccc(Cl)c(B(O)O)n2)CC1)OCC1c2ccccc2-c2ccccc21 2302677823 CTCNRIPRUWNUTE-UHFFFAOYSA-N 477.713 2.425 50 10 JEGE C/C(N)=C(/C#N)C(=O)COC(=O)CCCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 9586533 LGQCQIAXMBXTNV-ZRDIBKRKSA-N 467.853 2.286 50 10 JEGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)c(C)c2)cc1 14657230 JJKYGBZATUEVNJ-UHFFFAOYSA-N 496.383 2.497 50 10 JEGE COc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 33365898 FFMGPSCJXRLRNC-TXQCQQFXSA-N 494.529 2.014 50 10 JEGE CC[C@@H](C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NNC(=O)c1cc2c(s1)CCC2 39975548 HVDNNHCKEMQHTG-XIKOKIGWSA-N 460.581 2.151 50 10 JEGE COc1cc(C(=O)NNC(=O)C2CCN(C(=O)N(C)Cc3ccccc3)CC2)cc(OC)c1OC 727292988 MNMYHFPRBFOHHE-UHFFFAOYSA-N 484.553 2.437 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@]1(F)C[C@H](CBr)C1 2049629091 FTTFAJCOXBMYNS-IGNZVWTISA-N 479.343 2.443 50 10 JEGE Cc1sc(C)c(S(=O)(=O)NCCS(=O)(=O)CCBr)c1Br 2360921665 PNWQUFNLLQVOLE-UHFFFAOYSA-N 469.242 2.215 50 10 JEGE NNC(=O)C1(COc2cc(Br)cc(I)c2)CCOCC1 2364263433 LUXHDHLVABGLPE-UHFFFAOYSA-N 455.090 2.219 50 10 JEGE Cc1cc(C)c(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN2CCC(C)CC2)c(C)c1 3633179 PBTLOPZTFZVNCO-BHGWPJFGSA-N 451.535 2.154 50 10 JEGE CCc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 33931681 VTOFPLLNHBMFKH-MTMYEVCSSA-N 478.530 2.259 50 10 JEGE COc1ccc(N2CCN(c3ncnc(NNC(=O)c4ccccc4OC)c3[N+](=O)[O-])CC2)cc1 40611230 SCJDLFBSBHUOEN-UHFFFAOYSA-N 479.497 2.486 50 10 JEGE CN1/C(=C(\C#N)C(=O)COC(=O)CCNS(=O)(=O)c2ccccc2)Sc2ccccc21 103150520 NBHDMXKBFRRIGA-PGMHBOJBSA-N 457.533 2.445 50 10 JEGE CC[C@H](C)NC(=O)CN1CCN(C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)CC1 920447335 GMFDHSGNPCLIHO-OFXNXBLFSA-N 473.581 2.430 50 10 JEGE CCN(C[C@H]1CCOC1)C(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1ccc(OC)cc1 920850068 AUFFDASBGGHPCC-MIQLPHMESA-N 451.527 2.226 50 10 JEGE O=C(NS(=O)(=O)c1ccc(CCNC(=O)c2cccnc2)cc1)Oc1ccc([N+](=O)[O-])cc1 1859005405 DBJANJSATRBHKO-UHFFFAOYSA-N 470.463 2.440 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@]1(F)C[C@@H](CBr)C1 2049517033 FTTFAJCOXBMYNS-UYHISHBKSA-N 479.343 2.443 50 10 JEGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)Nc1ccc(Cl)c(B(O)O)c1 2256679084 UEADGAOTFXFRKL-QGZVFWFLSA-N 462.739 2.459 50 10 JEGE COc1cc(C(=O)NNC(=S)NC(=O)c2ccccc2Br)cc(OC)c1OC 12500904 RIVAPDHKEYRGMG-UHFFFAOYSA-N 468.329 2.424 50 10 JEGE O=C(CSc1nnc(N2CCN(C(=O)CCCBr)CC2)s1)NCc1ccco1 49368010 OMSBFFIHHIBVLD-UHFFFAOYSA-N 488.433 2.363 50 10 JEGE CN(C[C@]1(Oc2ccc(B(O)O)cc2C#N)CCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C 2364752448 XALODDKSFYXLPT-RUZDIDTESA-N 465.359 2.128 50 10 JEGE Cc1ccc(O[C@@H](C)C(=O)NNC(=S)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1C 10153790 XOKOWJWGSXBRJB-LBPRGKRZSA-N 461.456 2.223 50 10 JEGE C#CCOc1c(Br)cc(C=NNC(=O)CN2CCOCC2)cc1Br 1084510751 FJZLUYFHRDVSOP-UHFFFAOYSA-N 459.138 2.006 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1C[P@@](C)(=O)C[C@@H]1Br 2057707287 GLGFKZCQXYAFSC-OSQOMZQFSA-N 495.307 2.069 50 10 JEGE Cn1nc(CNS(=O)(=O)N2CCC(Br)CC2)c(Br)c1Cl 2162200614 AGMVUEGGDAUQSF-UHFFFAOYSA-N 450.584 2.030 50 10 JEGE CCOC(=O)c1cc(-c2ccc(F)cc2)n(CC(=O)N[C@H]2CS(=O)(=O)C[C@H]2Cl)c1C 9502164 YQFGVGHOOLGCAV-SJORKVTESA-N 456.923 2.300 50 10 JEGE Cn1cc(C(=O)NNC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)c2ccccc21 10736991 BVWVTYLSOQPADH-UHFFFAOYSA-N 450.520 2.461 50 10 JEGE CCOc1ccc(/C=C/C(=O)NC(=S)NNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 13623641 UMEGBLCRYNLMJA-QHSLDKKCSA-N 466.563 2.169 50 10 JEGE CCCN1C(=O)/C(=N\NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@@H](C)C4)c2ccccc21 19651417 IXPYDPLAUTVPTD-HFOQSWOYSA-N 464.551 2.255 50 10 JEGE O=C(NNC(=O)c1nn(CCO)c(=O)c2ccccc12)c1cn(-c2ccccc2)nc1-c1ccccc1 49581065 CKXHBTAHGQEBMM-UHFFFAOYSA-N 494.511 2.316 50 10 JEGE O=C(CN1C(=O)C(=NNC(=O)C(=O)Nc2ccccc2[N+](=O)[O-])c2ccccc21)Nc1ccccc1 254618965 VSQROJBYCKWIRS-UHFFFAOYSA-N 486.444 2.039 50 10 JEGE N#CCCn1cc(/C=C(\C#N)C(=O)OCC(=O)N2CCOCC2)c(-c2ccc(Cl)cc2)n1 782093960 CCZBCJURWNEUPZ-SFQUDFHCSA-N 453.886 2.426 50 10 JEGE COc1cc(C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc(OC)c1OC 1860770126 USUISHFJHOOJQH-LBPRGKRZSA-N 486.550 2.070 50 10 JEGE O=S1(=O)C[C@@H](Br)[C@@H](NS(=O)(=O)c2cc(Cl)c(Br)s2)C1 2121369461 SWZJITSQNUCSLJ-XINAWCOVSA-N 473.617 2.003 50 10 JEGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(B(O)O)ccc1Cl 2256626981 QCEHDSBYOBSYCP-IFXJQAMLSA-N 462.739 2.457 50 10 JEGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1cc(B(O)O)ccc1F 2317606482 WJHALPDMVGSQOP-DEOSSOPVSA-N 476.313 2.439 50 10 JEGE Cc1ccc(NC(=O)C[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)c(F)c1B(O)O 2352957107 JIMVMVSQWMZAEY-KRWDZBQOSA-N 460.311 2.253 50 10 JEGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 13979072 SUARIGMBQSUFFJ-UHFFFAOYSA-N 473.511 2.294 50 10 JEGE Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)c(C)c1 33899900 OHKWIGVGRHPAFL-FSEPTYSPSA-N 478.530 2.314 50 10 JEGE COCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2ccc([N+](=O)[O-])cc2)c(OC)c1 206404254 FLCZXFZLZSATMR-WJDWOHSUSA-N 455.423 2.257 50 10 JEGE CC(=O)O[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 216791035 RDLYSPHPIQHWLE-NNIGNNQHSA-N 462.568 2.091 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@@H](CBr)C1 2000533226 PPWIMEZGEQXSIP-SCLBCKFNSA-N 461.353 2.448 50 10 JEGE C[C@]1(CBr)CCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2000541291 RXAGRUFKGDNTCB-QZTJIDSGSA-N 461.353 2.448 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1[C@H](CBr)C[C@H]2OCC[C@@H]21 2030093998 KXMGCPRPJFVPGX-RRQGHBQHSA-N 471.373 2.019 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](CBr)C2(CC2)C1 2046024649 BZXFEABABQAUML-UGSOOPFHSA-N 473.364 2.448 50 10 JEGE O=S(=O)(c1ccc(CBr)cn1)N1C[C@H]2[C@@H](C1)OCCN2Cc1ccccc1 2179810940 IBSZZRBDDOKFQZ-ZWKOTPCHSA-N 452.374 2.250 50 10 JEGE O=C(CNS(=O)(=O)c1ccccc1)N/N=C/c1ccc(N(CCCl)CCCl)cc1 2074746 VWHHOQMXSXLIBZ-HYARGMPZSA-N 457.383 2.399 50 10 JEGE CCOc1ccc(C)cc1[C@H](C)NC(=O)/C(C#N)=C\N(CCN(C)C)[C@H]1CCS(=O)(=O)C1 243073111 IMHFPKIVENXGTP-ICSRJNTNSA-N 462.616 2.029 50 10 JEGE Cc1ccccc1C(=O)NN=C1C(=O)N(CN2CCN(C)CC2)c2ccc(Br)cc21 254627726 CRTXAZYTOHSXJG-UHFFFAOYSA-N 470.371 2.443 50 10 JEGE COC(=O)[C@@H]1CN(C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CCO1 728537968 FQPTYWXLGAMUCX-SKTWIKFTSA-N 453.886 2.425 50 10 JEGE CCOc1ccc(NC(=S)NNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)cc1 749264375 ASMZQEKYWWXNSP-HNNXBMFYSA-N 454.599 2.318 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H]2C[C@@]2(CBr)C1 1942489665 PAHSOWYCNYOGNC-AUUYWEPGSA-N 455.374 2.500 50 10 JEGE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[C@H](NS(=O)(=O)N1CCC(Br)CC1)C2 2106295829 LRXZAMCZSFRQTR-KCQAQPDRSA-N 452.415 2.326 50 10 JEGE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)Nc1ccc(Cl)c(B(O)O)c1 2256599071 UEADGAOTFXFRKL-KRWDZBQOSA-N 462.739 2.459 50 10 JEGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1cscc1B(O)O 2256621084 QCVRFBYYHFUDDC-ZRGWGRIASA-N 462.377 2.104 50 10 JEGE CCCN(CCC)Cc1c(C(=O)N/N=C/c2ccc(Br)cc2)nnn1-c1nonc1N 3633059 DTTFAKULGWAWPE-SSDVNMTOSA-N 490.366 2.381 50 10 JEGE COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2OC)cc1Br 12570485 PVLMTVRDHSKDJR-UHFFFAOYSA-N 468.329 2.181 50 10 JEGE CCOC(=O)c1ccc(OCC(=O)NNC(=O)CCC(=O)OCCCc2ccccc2)cc1 14027435 YCCWXXSSJSPUGS-UHFFFAOYSA-N 456.495 2.346 50 10 JEGE CC(C)(C)OC(=O)N1CCC(N/C=C(/C#N)C(=O)Nc2cccc(S(=O)(=O)O)c2)CC1 216962681 CAEVTFZGEFKXPP-YPKPFQOOSA-N 450.517 2.268 50 10 JEGE O=C(CCOc1ccccc1)NNC(=O)NCCCNC(=O)c1ccc(Br)cc1 726613040 CXONISOBSDGWSL-UHFFFAOYSA-N 463.332 2.369 50 10 JEGE CN(C1(CBr)CCSCC1)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 1981039968 YXNFAVVCQQCVIY-UHFFFAOYSA-N 461.403 2.205 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC(F)(F)C[C@H]1CBr 1996900977 NFOQHSDUEAWVIO-LBPRGKRZSA-N 465.316 2.497 50 10 JEGE CN(CC(F)(F)CBr)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000543645 XTCSTTPUSDHKFV-OAHLLOKOSA-N 471.295 2.303 50 10 JEGE O=C(NCC[C@H]1CN(S(=O)(=O)CI)c2ccccc21)C(F)(F)F 2007716954 CNBQOYYPBPMSRA-VIFPVBQESA-N 462.231 2.381 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)Nc2nc(B(O)O)ccc2Cl)C1 2283984873 BLXLUGAILDKDKH-HSZRJFAPSA-N 489.765 2.197 50 10 JEGE COc1cc(C=NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc([N+](=O)[O-])c1O 2325904328 SZOSACSBNFDXKK-NSHDSACASA-N 471.495 2.356 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCS[C@@H](CBr)C1 720051285 MAZHZDVURZORHL-ZDUSSCGKSA-N 475.430 2.451 50 10 JEGE COCCCNC(=O)C(C#N)=Cc1c(N2CCN(c3ccccc3)CC2)nc2c(C)cccn2c1=O 2296732244 MJQYTNMSCPXLMS-UHFFFAOYSA-N 486.576 2.389 50 10 JEGE CN(C)C[C@H](Br)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316817597 NNTIYZDAUZOOFQ-OAHLLOKOSA-N 474.421 2.088 50 10 JEGE O=C(COc1ccc(Br)cc1Br)NC(=S)NNC(=O)c1ccncc1 12571378 AHLANAVTZQGNPA-UHFFFAOYSA-N 488.161 2.321 50 10 JEGE Cc1cc(Br)ccc1OCC(=O)NC(=S)NNC(=O)c1cccc([N+](=O)[O-])c1 13976236 XUEKAARUYXYXAB-UHFFFAOYSA-N 467.301 2.380 50 10 JEGE CCOc1cc(/C=C(/C#N)C(=O)NCCc2ccc(OC)c(OC)c2)ccc1OCC(N)=O 33370676 FDHVYYRAZLWLCU-WQRHYEAKSA-N 453.495 2.232 50 10 JEGE CCCOc1ccc(-c2c(C(=O)NN=Cc3ccc(C(=O)OC)cc3)nnn2-c2nonc2N)cc1 254799268 DRNFHBKQWMIXOL-UHFFFAOYSA-N 490.480 2.239 50 10 JEGE C[C@@H](CC(CBr)(CBr)[C@@H]1CCS(=O)(=O)C1)CS(C)(=O)=O 706480875 XKIKWCNZYCGVCB-WDEREUQCSA-N 454.246 2.268 50 10 JEGE CC(=O)N/C(=C/c1ccccc1)C(=O)NNS(=O)(=O)c1ccc(Br)c(C)c1 820574071 XJXOTIDODBCYAU-GZTJUZNOSA-N 452.330 2.244 50 10 JEGE C=CCOc1cc(OC)ccc1C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 1457467202 VLWKNCSVPXNWGX-UHFFFAOYSA-N 459.524 2.119 50 10 JEGE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)cc1 1562197993 YUOSQJQFYSYZHP-AWEZNQCLSA-N 450.492 2.252 50 10 JEGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)c4ccc5c(c4)OCO5)c(=O)c23)C1 1860771973 NKNOSSWQINSHII-VXGBXAGGSA-N 454.508 2.334 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1COC2(CCC2)[C@H]1Br 2141559551 VPZFDRWAIQGPBQ-CVEARBPZSA-N 485.400 2.313 50 10 JEGE CN([C@H]1CN(C(=O)OC(C)(C)C)CC12CC2)S(=O)(=O)N1CCC(Br)CC1 2271401962 NZIYNGRGYQWXSQ-AWEZNQCLSA-N 452.415 2.422 50 10 JEGE CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)C1=CNc1ccc(OC(F)(F)F)cc1 2296535431 CWBKGVPYPPBCEI-CYBMUJFWSA-N 455.414 2.277 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCN2C[C@H](Cl)C[C@@H]2C1 2364209808 WPRPHCUAUGVOAX-IAGOWNOFSA-N 453.992 2.170 50 10 JEGE CCCN(CCC)Cc1c(C(=O)N/N=C/c2ccc(OCC)cc2)nnn1-c1nonc1N 20037845 AWBOQMCLNZVPPV-YDZHTSKRSA-N 455.523 2.017 50 10 JEGE C[C@H](Sc1n[nH]c(N/N=C/c2cc(Br)ccc2O)n1)C(=O)NNC(=O)C1CCC1 59879545 CKUGLAWQRCKELO-VFKKPVCESA-N 482.364 2.147 50 10 JEGE COc1ccc(N(CC(=O)NN=Cc2cc3c(cc2Br)OCO3)S(C)(=O)=O)cc1 1084151371 VGEGCOOMCWZBDX-UHFFFAOYSA-N 484.328 2.103 50 10 JEGE CC(=O)Nc1cccc(C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 1860769817 IVFOSAPQWVSHFE-GFCCVEGCSA-N 453.524 2.002 50 10 JEGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)NCCc3ccccc3)c(N3CCN(C)CC3)nc12 2296557913 ZRTKQDQVUJADDZ-UHFFFAOYSA-N 456.550 2.021 50 10 JEGE Cc1nc2c3ccccc3nc(NNC(=O)CCC(=O)N3CCN(C4CCCCC4)CC3)n2n1 20286924 RCDXTJTYIAYJKR-UHFFFAOYSA-N 464.574 2.286 50 10 JEGE O=C(NNc1ncnc(NCc2ccc3c(c2)OCO3)c1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 40585205 JHZBUDLKAZXFOI-UHFFFAOYSA-N 453.371 2.391 50 10 JEGE CC(C)NC(=O)COc1ccc(C=NNC(=O)C(=O)Nc2cccc(Br)c2)cc1 1084080086 JMPAEDCCOFUCFK-UHFFFAOYSA-N 461.316 2.441 50 10 JEGE CC(=NNc1nc(SCC(=O)NNC(=O)C2CCC2)n[nH]1)c1ccc(Br)cc1 1084552351 KGNFUVUGTKFVHW-UHFFFAOYSA-N 466.365 2.443 50 10 JEGE C[C@@H](CCl)C(=O)Nc1c(I)ncnc1I 1974851342 JLETWWKFBBXMLV-BYPYZUCNSA-N 451.433 2.499 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1[C@H](CBr)C[C@@H]2OCC[C@@H]21 2090542623 RDTMYKJWHMEEJQ-WBAXXEDZSA-N 485.400 2.409 50 10 JEGE COc1ccc(OCC(=O)NC(=S)NNC(=O)CCC(=O)Nc2cc(C)ccc2C)cc1 13978814 GUBSYRFXJOHZLB-UHFFFAOYSA-N 458.540 2.132 50 10 JEGE Cc1ccc(SCc2c(C(=O)NN=Cc3ccccc3C(=O)O)nnn2-c2nonc2N)cc1 254791698 PYIZZSUCUXJEOA-UHFFFAOYSA-N 478.494 2.295 50 10 JEGE CC(=O)O[C@@H]1[C@@H](OC(C)=O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OC(C)=O)[C@H]1OC(C)=O 616586715 RDLYSPHPIQHWLE-QQXKLLMISA-N 462.568 2.091 50 10 JEGE Cc1cc(S(=O)(=O)NNC(=O)NCc2cccc(C(F)(F)F)c2)ccc1OCC(=O)O 748690504 FFKBVTLWNXKXHQ-UHFFFAOYSA-N 461.418 2.170 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](Cl)C[C@@]2(CCCO2)C1 2164515044 PXGCQYUKEUBUJQ-GKCIPKSASA-N 458.939 2.203 50 10 JEGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)c1ccc(B(O)O)cc1 2248416621 WLEXJNBUJZEUCM-IAGOWNOFSA-N 458.323 2.471 50 10 JEGE O=S(=O)(NCCCN(Cc1ccccc1)Cc1ccccc1)c1c(F)cc(F)cc1B(O)O 2267624083 SKHTUNIHKZPLPW-UHFFFAOYSA-N 474.338 2.015 50 10 JEGE COc1cc(CNC(=O)CCCN(Cc2ccccc2)C(=O)OC(C)(C)C)ccc1B(O)O 2273770353 UVNYOBIVFPPHOL-UHFFFAOYSA-N 456.348 2.209 50 10 JEGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2)cc1 12572281 VWLVLHUOFSRMHT-UHFFFAOYSA-N 466.357 2.491 50 10 JEGE COc1ccc(C(C)=NNc2nc(SCC(=O)NNC(=O)c3ccc(F)cc3)n[nH]2)cc1 1084288717 LQPKZILPKSBFKP-UHFFFAOYSA-N 457.491 2.342 50 10 JEGE CC(=NNC(=O)c1ccc(Br)cc1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 1115997809 FANZNAPTOXLXJQ-UHFFFAOYSA-N 488.385 2.329 50 10 JEGE O=C(NS(=O)(=O)c1ccc(CNC(=O)c2ccncc2)cc1)Oc1ccc([N+](=O)[O-])cc1 1858956477 HDVFQNFLRCAPIT-UHFFFAOYSA-N 456.436 2.397 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H](CBr)C2(CC2)C1 1942096387 ASUHMWDAWFXRKI-AWEZNQCLSA-N 455.374 2.500 50 10 JEGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1cnc(B(O)O)s1 2257370526 AJZIBBHXUDQBJM-QFIPXVFZSA-N 493.394 2.393 50 10 JEGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(O[C@H]2CCN(S(C)(=O)=O)C2)C1 2257827894 AWRJPGOZQMRRTH-BBRMVZONSA-N 488.388 2.242 50 10 JEGE CC(=NNC(=O)CN1CCCc2ccccc21)c1ccc(S(=O)(=O)N2CCC(C(=O)O)CC2)cc1 916310135 UDLYHIGCDNULEC-UHFFFAOYSA-N 498.605 2.465 50 10 JEGE COC(=O)c1ccc(C=NNC(=O)C2=C(C)NC(=S)N[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 1084162790 IUUSMJMVHNCLFC-GOSISDBHSA-N 453.480 2.325 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2C[C@H]1[C@H]2CBr 2024034853 LPZVPRNUROLUEA-IQFXKTMKSA-N 459.337 2.056 50 10 JEGE CS[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NS(=O)(=O)N1CCC(Br)CC1 2084777672 CCXBVEUMBFLPEW-CHWSQXEVSA-N 458.444 2.031 50 10 JEGE COC(=O)[C@@H](I)CNS(=O)(=O)c1c(C)sc(C)c1Br 2087634812 UESYYGQBZBLIPN-ZETCQYMHSA-N 482.159 2.382 50 10 JEGE CN(C(=O)OC(C)(C)C)[C@@H]1CN(S(=O)(=O)N2CCC(Br)CC2)CC12CC2 2140965176 OGQFGWMSDXXVGM-CQSZACIVSA-N 452.415 2.422 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@@H]1CC[C@@H](CBr)CO1 2253715629 LWHYFNDYCNOYND-GJZGRUSLSA-N 473.389 2.172 50 10 JEGE N#Cc1cc(B(O)O)ccc1Nc1cc(I)cc(I)c1 2364756450 VMPQWFMPIQIYHW-UHFFFAOYSA-N 489.847 2.191 50 10 JEGE COC(=O)c1cc(Nc2ncnc(NNC(=O)c3ccco3)c2[N+](=O)[O-])cc(C(=O)OC)c1 40594114 GYUDMIBFHODUAT-UHFFFAOYSA-N 456.371 2.052 50 10 JEGE O=C(NNc1ncnc(NNC(=O)c2cccc([N+](=O)[O-])c2)c1[N+](=O)[O-])c1ccc(Cl)cc1 40657797 DWIQXYRWTGOPJM-UHFFFAOYSA-N 472.805 2.460 50 10 JEGE O=C(N/N=C1\CCS(=O)(=O)c2ccc(F)cc21)c1cccc(S(=O)(=O)N2CCCCC2)c1 96686743 LEWYISRIMQXXGM-FCDQGJHFSA-N 479.555 2.312 50 10 JEGE COC(=O)C(=O)N[C@H](CC(C)C)C(=O)NNC(=O)OCC1c2ccccc2-c2ccccc21 205368384 UYJWNPWEPDIPNU-HXUWFJFHSA-N 453.495 2.260 50 10 JEGE CC(C)c1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCCC[C@@H]2C)cc1 254395344 QEYUMEMBVKCAID-HNNXBMFYSA-N 451.535 2.494 50 10 JEGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1nc(B(O)O)ccc1Cl 2243679472 YJYSKSOMUXQULB-ZDUSSCGKSA-N 465.702 2.281 50 10 JEGE COc1cc(C(=O)NC(=S)NNC(=O)c2ccccc2Br)cc(OC)c1OC 14018153 LMFXSSKFTLNRBM-UHFFFAOYSA-N 468.329 2.424 50 10 JEGE O=C(Cl)c1ccc(B2OB(c3ccc(C(=O)Cl)cc3)OB(c3ccc(C(=O)Cl)cc3)O2)cc1 208608724 DAARBDKMVTUHTJ-UHFFFAOYSA-N 499.116 2.373 50 10 JEGE COC(=O)COc1ccc(C=NNC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 252627742 SASHKDKTDNSSIV-UHFFFAOYSA-N 467.931 2.117 50 10 JEGE N=C1O[C@H](c2ccc([N+](=O)[O-])cc2)C(=NNC(=O)c2ccncc2)C1=NNC(=O)c1ccncc1 254344353 WGIXMWVPVZQETH-LJQANCHMSA-N 472.421 2.005 50 10 JEGE CC(=O)c1ccc(S(=O)(=O)CC(=O)NNC(=O)c2ccc(Br)cc2)cc1F 1628467574 ZYCZAUWDPSQMDW-UHFFFAOYSA-N 457.277 2.026 50 10 JEGE O=C(Nc1cc(CN2CCNCC2)cc(B(O)O)c1)OCC1c2ccccc2-c2ccccc21 1887551717 PKRXRCKOTPNOSV-UHFFFAOYSA-N 457.339 2.133 50 10 JEGE Cc1cc(C(=O)NC2(CNC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)c(B(O)O)s1 2282442305 QPIAOFYXQJJLFZ-UHFFFAOYSA-N 487.431 2.026 50 10 JEGE O=C(NCCS(=O)(=O)CCCl)c1cc(I)ccc1Br 2335775614 IGFUTGLFWADNIG-UHFFFAOYSA-N 480.549 2.437 50 10 JEGE Cc1cc(NC(=O)CSc2nnc(N3CCN(C(=O)C(C)(C)CCl)CC3)s2)no1 49368175 SFBQURHWJWFTCL-UHFFFAOYSA-N 458.997 2.479 50 10 JEGE O=C(N[C@H]1CS(=O)(=O)C[C@H]1Cl)c1ccc(I)c(Br)c1 721573430 RHYGWXFPELYYKJ-SCZZXKLOSA-N 478.533 2.188 50 10 JEGE CC(C)(C)[C@H]1CCc2sc(C(=O)NNC(=O)NCCCN3CCCS3(=O)=O)cc2C1 726276728 LWMYQBOWSONSSH-HNNXBMFYSA-N 456.634 2.269 50 10 JEGE O=S(=O)(Cc1ncsc1Br)NC[C@@H](Br)CBr 2210632802 JUNMECMPPUAWCP-YFKPBYRVSA-N 457.007 2.483 50 10 JEGE COC(=O)c1ccc(/C=N/NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 59384768 QVUIYKNPSSXKSL-NMONLQQWSA-N 453.480 2.325 50 10 JEGE CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NNC(=O)CNC(=O)c1ccco1 725902933 YJOWMIXSULTPPQ-HNNXBMFYSA-N 469.325 2.308 50 10 JEGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NC[C@H]2CCN(C(C)C)C2)cc1 749598272 HZHGFVQMYLWODT-BDBXIWDTSA-N 464.570 2.188 50 10 JEGE O=C(NCCNc1ncc(Br)cc1B(O)O)OCC1c2ccccc2-c2ccccc21 2210067831 GONOJLUWUQWNLX-UHFFFAOYSA-N 482.143 2.475 50 10 JEGE CN(Cc1cc(B(O)O)cs1)C(=O)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2283982759 BTQKXXUCOLTVMY-XMMPIXPASA-N 488.415 2.230 50 10 JEGE CN(C)CCN(C=C(C#N)C(=O)NC(c1ccccc1)c1ccccc1)[C@H]1CCS(=O)(=O)C1 2324825779 NTTUSPSVGVMUFY-QHCPKHFHSA-N 466.607 2.350 50 10 JEGE O=C(CCC(=O)NNC(=S)NC(=O)COc1cccc2ccccc12)NCc1ccccc1 12574058 QSBULROOFDRCQY-UHFFFAOYSA-N 464.547 2.337 50 10 JEGE COc1cccc(/C(C)=N/Nc2nc(SCC(=O)NNC(=O)c3ccc(F)cc3)n[nH]2)c1 20923695 DTRZEJFUIUMRFX-FSJBWODESA-N 457.491 2.342 50 10 JEGE COC(=O)c1cc(Nc2ncnc(NNC(=O)c3ccc(F)cc3)c2N)cc(C(=O)OC)c1 40705806 KUAJTDHOJNXQDL-UHFFFAOYSA-N 454.418 2.272 50 10 JEGE COc1ccc(CCNC(=O)/C(C#N)=C\N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1OC 216791643 ZGQHWAJLUCHNDG-FXBPSFAMSA-N 478.549 2.316 50 10 JEGE Nc1nonc1-n1nnc(C(=O)NN=Cc2ccccc2C(F)(F)F)c1-c1ccc2c(c1)OCO2 254304550 JIUQVNTWUPYRQY-UHFFFAOYSA-N 486.370 2.411 50 10 JEGE O=C(NNc1ccc(F)c(F)c1F)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 728716754 DKSRVPYZIJSQIA-UHFFFAOYSA-N 482.440 2.136 50 10 JEGE Cc1cc(C)nc(SCC(=O)NN=Cc2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)n1 1084301979 BONWCTCDYDLYDH-LJQANCHMSA-N 457.556 2.010 50 10 JEGE CC(=O)c1cc(S(=O)(=O)NNC(=O)CSc2ccccc2O)ccc1Br 1662904599 BVFXDHNVMONOTH-UHFFFAOYSA-N 459.343 2.459 50 10 JEGE COC(=O)[C@@H](I)CNC(=O)c1ccc(I)c(C)c1 2086031764 ZMDUDRLJWXWEDQ-JTQLQIEISA-N 473.048 2.306 50 10 JEGE CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)C(=O)c2cc(B(O)O)c(F)cc2Cl)C1 2258085116 UDRUGRBOQHINEP-UHFFFAOYSA-N 462.714 2.421 50 10 JEGE COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2)cc1I 12502941 BTYGYTSJSIMASW-UHFFFAOYSA-N 485.303 2.014 50 10 JEGE CCc1ccc(OCC(=O)NNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)c(Br)c1 13629457 QHJKIBVEEWPEQZ-AWEZNQCLSA-N 464.316 2.179 50 10 JEGE Cc1cc(Br)ccc1OCC(=O)NC(=S)NNC(=O)c1ccc([N+](=O)[O-])cc1 13976231 SJBCDBMDSYYBJG-UHFFFAOYSA-N 467.301 2.380 50 10 JEGE C[C@@H](I)CN(CCI)c1ccc(S(N)(=O)=O)cc1 100110115 AVHZDPIEWLVDFE-SECBINFHSA-N 494.136 2.399 50 10 JEGE CCCOc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=C(C)Cn2nnc([N+](=O)[O-])n2)cc1 252633751 WGELKDOLXWPNRZ-UIESZYHMSA-N 492.496 2.333 50 10 JEGE COC(=O)c1ccccc1NC(=O)CC(C)=NNC(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 254351797 RCZVLCAYKUZYOT-UHFFFAOYSA-N 457.399 2.353 50 10 JEGE O=C(CCOc1ccccc1)NNC(=O)N1CCCN(S(=O)(=O)c2cccc3cnccc23)CC1 728596813 NBQAYBMZXFIIKV-UHFFFAOYSA-N 497.577 2.141 50 10 JEGE C=CCNC(=O)CN1CCN(C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CC1 818087190 MZYKVXLYGDSBEY-HMMYKYKNSA-N 491.983 2.471 50 10 JEGE COc1ccc(Br)cc1C=NNc1nc(S[C@@H](C)C(=O)NNC(=O)C2CCC2)n[nH]1 1084115140 OCRAHQQEEURTIC-JTQLQIEISA-N 496.391 2.450 50 10 JEGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(F)c(N3C(=O)CCC3=O)c2)cc1 1562773503 OIDPNFNBVCSGHO-CYBMUJFWSA-N 456.430 2.302 50 10 JEGE Cc1ccc(S(=O)(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1860770717 UGCAFMJMCUXFJX-KGLIPLIRSA-N 460.581 2.462 50 10 JEGE O=C(NCCNC(=O)c1cc(B(O)O)ccc1Cl)OCC1c2ccccc2-c2ccccc21 2243367820 ZDSHTONGCWYKEK-UHFFFAOYSA-N 464.714 2.288 50 10 JEGE CN(Cc1csc(B(O)O)c1)C(=O)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2284016074 WBHPDDUITCXQDJ-DEOSSOPVSA-N 488.415 2.230 50 10 JEGE C[C@@H](CBr)S(=O)(=O)N(C)Cc1c(Br)c(Br)nn1C 2316892144 LUPMBBOBFGALAP-LURJTMIESA-N 468.009 2.490 50 10 JEGE COCCOc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1Br 13623260 WJDPPYWPWVRMQT-KRWDZBQOSA-N 490.354 2.284 50 10 JEGE CCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)CCC(=O)OCCc2ccccc2)cc1 14011441 KLTYGGUOHKIKSS-UHFFFAOYSA-N 470.551 2.237 50 10 JEGE O=C(COc1ccccc1)N/N=C1/C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 59148429 YBSRTMYCDAFDMG-WEMUOSSPSA-N 468.469 2.229 50 10 JEGE COc1cc(C(=O)NNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)ccc1OC(C)C 109912566 BTYJBMIATNDDQN-OAHLLOKOSA-N 467.569 2.158 50 10 JEGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(CCN3CCOCC3)cc2)cc1 1465352779 LSDIOYATZQIROG-GOSISDBHSA-N 454.527 2.384 50 10 JEGE C=CC[C@]1(C(=O)NNC(=O)[C@H]2CCN2C(=O)OC(C)(C)C)CCCN1C(=O)OC(C)(C)C 1645021658 LTTVPAIDRLPWAJ-IVZQSRNASA-N 452.552 2.489 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@@H]2CCC[C@]2(CBr)C1 1905770514 UJXNYIUSHABDMA-LIRRHRJNSA-N 455.374 2.500 50 10 JEGE CN([C@H]1CCN(C(=O)OCc2ccccc2)C1)S(=O)(=O)N1CCC(Br)CC1 1999489619 GVZCMDDRJGLQOM-KRWDZBQOSA-N 460.394 2.433 50 10 JEGE C[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CN1S(=O)(=O)N1CCC(Br)CC1 2106774925 ZSZTYUBHVYDOII-IPYPFGDCSA-N 452.415 2.278 50 10 JEGE CC(C)(C)c1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN2CCCCC2)cc1 1959587 NTBCAMUGLASZDH-ZMOGYAJESA-N 451.535 2.280 50 10 JEGE CCc1nc2ccccc2n1CC(=O)NNC(=O)CN1c2cccc3cccc(c23)S1(=O)=O 14941737 WBTAZPZNOLXXMX-UHFFFAOYSA-N 463.519 2.108 50 10 JEGE COc1ccc(/C(C)=N/NC(=O)CCCSc2nnc(-c3ccncc3)n2N)c(OC)c1 58991326 BEMAZASYGRVSGR-ZVHZXABRSA-N 455.544 2.484 50 10 JEGE COCCOCCOCCO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1I 303741361 LGVJCPOFZXIZMD-KGLIPLIRSA-N 459.321 2.106 50 10 JEGE CC(=O)N[C@](C)(C(=O)NNc1nc2ccccc2[nH]c1=S)c1ccc(S(C)(=O)=O)cc1 1301148400 PHAWBIVFVKATPO-FQEVSTJZSA-N 459.553 2.190 50 10 JEGE CSCC[C@H](C(=O)N1CCC[C@H](C(=O)NNc2ccccn2)C1)N1C(=O)c2ccccc2C1=O 1873777314 FEFOENGCHLHXQB-QFBILLFUSA-N 481.578 2.181 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCOC[C@@]1(C)CBr 2049903760 MXNNCIMSSZUOJR-LJQANCHMSA-N 473.389 2.124 50 10 JEGE O=S(=O)(C[C@@H](Br)c1ccccc1I)N1CCOCC1 2089401102 XPMPOHJVHWTWSX-LLVKDONJSA-N 460.131 2.389 50 10 JEGE O=C(CCCNC(=O)OCC1c2ccccc2-c2ccccc21)NCc1sccc1B(O)O 2243925707 ZWIQPJAVKWBRJC-UHFFFAOYSA-N 464.352 2.363 50 10 JEGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)c1ccc(B(O)O)cc1 2248402397 WLEXJNBUJZEUCM-SJORKVTESA-N 458.323 2.471 50 10 JEGE COc1c(I)cc(I)cc1C=C(C#N)C(N)=O 2297624342 VMFNGHUSWAWGST-UHFFFAOYSA-N 454.005 2.297 50 10 JEGE COc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2C)cc1 13976259 NLCAZJHUHUWWIL-UHFFFAOYSA-N 452.330 2.481 50 10 JEGE CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2ccccn2c1C(=O)NN=Cc1ccncc1 252616811 KFURHFGLTFMGPG-UHFFFAOYSA-N 476.580 2.466 50 10 JEGE N#C/C(=C/N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1)C(=O)NCc1ccccc1 254432784 TYUSPNWGILKUNA-ZKCMNIAMSA-N 466.588 2.481 50 10 JEGE COc1ccc(Br)cc1C=NNC(=O)CSc1nnc(-c2ccccc2O)n1N 1084135050 PMUYINWLLALBTI-UHFFFAOYSA-N 477.344 2.378 50 10 JEGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)CCC(=O)O)cc2)cc1 1858674781 PXNOHWIBCZFFBX-UHFFFAOYSA-N 462.509 2.251 50 10 JEGE COc1ccc(CCC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1OC 1860770887 BDLCDRSAAFDHOW-UHFFFAOYSA-N 470.551 2.134 50 10 JEGE O=C(N[C@H]1CS(=O)(=O)C[C@H]1Cl)c1ccc(Br)cc1I 2142281168 NAFJAKNXVGVDEU-SCZZXKLOSA-N 478.533 2.188 50 10 JEGE CC(C)(C)OC(=O)NCC1CC([S@@](C)(=O)=NS(=O)(=O)N2CCC(Br)CC2)C1 2192629990 VBXMXMJTQQXRKY-NJZBNNRLSA-N 488.470 2.492 50 10 JEGE Cc1cc(B(O)O)sc1CNC(=O)[C@@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21 2243684469 ACALFKYBDPUENW-OAHLLOKOSA-N 464.352 2.280 50 10 JEGE CC(C)(C)OC(=O)N(CCNC(=O)c1cc(B(O)O)c(F)cc1Cl)OCc1ccccc1 2258087960 MFKBMAIKVVIZKA-UHFFFAOYSA-N 466.702 2.258 50 10 JEGE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2ccc(Cl)c(B(O)O)c2)CCN(Cc2ccccc2)C1 2268717843 MXKGGDHXHXDZHY-HSZRJFAPSA-N 473.766 2.128 50 10 JEGE N#C/C(=C/Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)NCc1ccco1 217261434 JBMWKPBJJLQGAC-OWBHPGMISA-N 450.904 2.090 50 10 JEGE CC[C@H](C)NC(=O)CN1CCN(C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)CC1 920447336 GMFDHSGNPCLIHO-RAGBYUADSA-N 473.581 2.430 50 10 JEGE CCN(CC)C(=O)CN1C(=O)C(=NNC(=O)CCc2ccc(OC)cc2O)c2ccccc21 1084070708 FWQBGEQKMNAAOF-UHFFFAOYSA-N 452.511 2.069 50 10 JEGE CN(C)c1ccc(N2/C(=N/C=C(/C#N)C(=O)NCc3ccco3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 1614180059 YKPRLWIICIYNIW-VDIWCVFVSA-N 485.591 2.144 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2C[C@H]1[C@@H]2CBr 2024034852 LPZVPRNUROLUEA-GMIDFTQGSA-N 459.337 2.056 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1C[C@@H]([C@H](F)CBr)C1 2078421756 FXYQGBMWMADTKC-IPTNHLRFSA-N 479.343 2.442 50 10 JEGE CC(C)(C)OC(=O)N[C@@]12CC[C@@H](CN(S(=O)(=O)N3CCC(Br)CC3)C1)C2 2117628756 SXNCLGXMPOXQMH-CXAGYDPISA-N 452.415 2.470 50 10 JEGE CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(CBr)sc1Br 2179793787 YTANEJFHMXAHCK-ZETCQYMHSA-N 467.226 2.213 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H]1CC[C@@H](CBr)CO1 2264703472 IPCMVQQXIQEPIF-LSDHHAIUSA-N 487.416 2.418 50 10 JEGE Cc1cc(B(O)O)ccc1NC(=O)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2283956862 MKVJUHKXSAHHGZ-UHFFFAOYSA-N 467.375 2.173 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H]1COC[C@H]1CBr 2316825204 QWWSZSQRUBTSJV-RHSMWYFYSA-N 473.389 2.172 50 10 JEGE COc1ccc(C(=O)NNC(=S)NC(=O)Cc2ccccc2)cc1I 12571204 VVGNZTMALLGLNP-UHFFFAOYSA-N 469.304 2.178 50 10 JEGE COc1cccc(/C=N/NC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)c1OCc1cccc(C)c1 169925369 BKBZFKWMKOJMAV-DHRITJCHSA-N 450.495 2.351 50 10 JEGE CC1(C)O[C@@H]2CO[C@@](O)(CO)[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H]2O1 215743951 LYEYVIPMFIHSLX-XAISMOLKSA-N 458.627 2.163 50 10 JEGE CCOC(=O)C1=NO[C@H](Cc2c(C=NNC(=O)Cc3ccccc3)c(OC)c3c(c2OC)OCO3)C1 254377833 IPLQLMLBHTTXBI-MRXNPFEDSA-N 497.504 2.376 50 10 JEGE COc1cc(C=NNC(=O)CCCSc2nnc(CCc3ccccc3)n2N)c([N+](=O)[O-])cc1O 1084596009 HUFBVPRJLORTEP-UHFFFAOYSA-N 499.553 2.422 50 10 JEGE COc1ccc(/C=C/C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1865851672 FYLKWGNYWDOPBL-OAUONFCTSA-N 452.536 2.452 50 10 JEGE CCc1nnc(NS(=O)(=O)c2ccc(NC=C3C(=O)N(C)C(=O)C(C#N)=C3C)cc2)s1 2297101969 PLPNTXZTXAUNAV-UHFFFAOYSA-N 458.525 2.036 50 10 JEGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1/C(=N/NC(N)=S)CCC2 40824593 WAEGFCLGVWCRII-CIAFOILYSA-N 464.345 2.299 50 10 JEGE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNc3c(C)cccc3Cl)c2)CC1 1468131950 SDPAZRPDPARUHY-UHFFFAOYSA-N 450.948 2.258 50 10 JEGE COC(=O)C(C#N)=Cc1c(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc2c(C)cccn2c1=O 2296849813 ZHORVJAXEBVEJU-UHFFFAOYSA-N 487.516 2.134 50 10 JEGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)N/N=C(\C)c1ccc(N)cc1 59260850 LXZXGGKPAXBAOP-BUVRLJJBSA-N 461.555 2.472 50 10 JEGE CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1ccc(NC(=O)c2ccccc2)nc1=O 196365935 VVBIKBICTSKFIO-DLVXIWMQSA-N 461.591 2.137 50 10 JEGE CC(COc1ccccc1)=NNC(=O)c1nnn(-c2nonc2N)c1CN(C)C1CCCCC1 254763725 GIJQLIYKNUDIKF-UHFFFAOYSA-N 467.534 2.182 50 10 JEGE CCOc1ccc(N2C[C@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1 1872961618 MKCYQVGYEMEQHY-QZTJIDSGSA-N 451.527 2.215 50 10 JEGE C[C@@](CBr)(NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O)C(F)F 1977138546 KVNLTHNYHGRHFL-INIZCTEOSA-N 453.305 2.401 50 10 JEGE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)cc1B(O)O 2256621122 QPGTWCRNBHXQCV-LIRRHRJNSA-N 462.739 2.457 50 10 JEGE O=C(CCNC(=O)OCC1c2ccccc2-c2ccccc21)NCCc1c(F)cccc1B(O)O 2260959320 NRNGFTMIAKLHBN-UHFFFAOYSA-N 476.313 2.093 50 10 JEGE O=C(NCCS(=O)(=O)CCBr)c1ccc(Cl)c(I)c1 2335761605 KEDMNSBZKHWVCA-UHFFFAOYSA-N 480.549 2.484 50 10 JEGE CCOc1cc(/C=N/NC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OCc1c(C)no[n+]1[O-] 59452441 YMYSVJMTJHPWJW-WYMPLXKRSA-N 486.481 2.384 50 10 JEGE CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1 726276668 BXUDPJDULXZPHQ-NRFANRHFSA-N 485.560 2.291 50 10 JEGE CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)O[C@@H](C)C2 730514234 FBNPZHYSVIACLK-PJODQICGSA-N 493.969 2.274 50 10 JEGE C=CCNC(=S)NNC(=O)c1cn(C)nc1[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 1290173436 JUGGYRAFNWXNST-QGZVFWFLSA-N 456.572 2.231 50 10 JEGE C#CC[C@](C)(CBr)CNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2084846513 AIWTYWZYNHBBBM-RTBURBONSA-N 473.364 2.355 50 10 JEGE O=C(NCCNC(=O)c1cc(Cl)cc(B(O)O)c1)OCC1c2ccccc2-c2ccccc21 2243366663 GRVMXGPNCIHHNZ-UHFFFAOYSA-N 464.714 2.288 50 10 JEGE CC(=O)N1CCN(c2ccc(C(=O)NNc3cc(C(F)(F)F)ccn3)cc2[N+](=O)[O-])CC1 1298338878 UFJKUAYIQUVUNB-UHFFFAOYSA-N 452.393 2.434 50 10 JEGE COc1cccc(CCC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1 1865852433 WFVZRCGCUAKDDJ-AWEZNQCLSA-N 454.552 2.372 50 10 JEGE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(S(=O)(=O)CI)C1 1983327914 RKUJQUSTCVPMLY-RVMXOQNASA-N 456.346 2.286 50 10 JEGE CC(C)(C)OC(=O)N1CC([C@@H]2CCN(S(=O)(=O)N3CCC(Br)CC3)C2)C1 2106776686 KQVKCZHQHRZQCK-CYBMUJFWSA-N 452.415 2.279 50 10 JEGE CN(C=C(C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 2324606080 UCTZUQPRLMYPPP-DEOSSOPVSA-N 478.618 2.447 50 10 JEGE CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)COc2ccc(Br)cc2C)cc1 12493762 CBEDZAYTPASBQO-UHFFFAOYSA-N 456.318 2.104 50 10 JEGE CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cccc(OCc3cscn3)c2)c1 16226008 LGISIKMZCVFVSU-UHFFFAOYSA-N 460.537 2.047 50 10 JEGE O=S1(=O)C[C@H](Cl)[C@H](NS(=O)(=O)c2c(Cl)cc(Br)cc2Cl)C1 157772143 NVHFPEVUGXXNSM-DTWKUNHWSA-N 457.582 2.439 50 10 JEGE COc1cc(/C=N\NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)ccc1OCc1cccc(Cl)c1 169924955 MGNLBFIXQFHNBJ-MYKKPKGFSA-N 456.886 2.305 50 10 JEGE O=C(NN=Cc1cc([N+](=O)[O-])ccc1O)c1ccc(C(=O)NN=Cc2cc([N+](=O)[O-])ccc2O)o1 252598271 CZFZASWCWRPJSD-UHFFFAOYSA-N 482.365 2.035 50 10 JEGE CCOC[C@H](Br)CNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703994536 SXVIALGTPQNOJN-CYBMUJFWSA-N 461.378 2.028 50 10 JEGE COc1ccc(N(CC(=O)NN=Cc2ccccn2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1083997419 OCESNWHTGPDREQ-UHFFFAOYSA-N 481.534 2.394 50 10 JEGE C[C@@H](Sc1n[nH]c(NN=Cc2ccc(Br)cc2)n1)C(=O)NNC(=O)C1CCC1 1084408135 DNAKKPHGCAWXIC-SNVBAGLBSA-N 466.365 2.441 50 10 JEGE COc1ccccc1OCC(=O)NNC(=O)[C@@H](C)n1cnc2sc3c(c2c1=O)CCCC3 1860771837 JBSVBNUFIUBIQC-CYBMUJFWSA-N 456.524 2.133 50 10 JEGE Cc1ccc(C(=O)NC(=S)NNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1Br 13630185 KRAOTLMMVPWDST-ZDUSSCGKSA-N 479.356 2.035 50 10 JEGE C[C@@H]1CN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@@H]1CBr 2000543136 MKDRUFYXNQSEAZ-FHSNZYRGSA-N 461.353 2.303 50 10 JEGE COC[C@](C)(CCBr)NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2040258463 CCFDVOYEPYKTIL-IBGZPJMESA-N 475.405 2.418 50 10 JEGE Cc1c(NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)ccc(B(O)O)c1Cl 2256664487 DAVVYERZVWJYPX-SFHVURJKSA-N 462.739 2.377 50 10 JEGE CCCCOC(=O)c1ccccc1NC(=O)C(C#N)=CN(CCN(C)C)[C@H]1CCS(=O)(=O)C1 2325309670 NDBROLBGXQLVIB-IBGZPJMESA-N 476.599 2.040 50 10 JEGE CCOC(=O)NC(=O)[C@H](C#N)/C=N/NC(=O)CCCNc1ncc(C(F)(F)F)cc1Cl 35132667 XGCWYTFKZZLQJM-TZSMZJACSA-N 462.816 2.460 50 10 JEGE O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1860770386 GQOYKWFSCSNYCI-UHFFFAOYSA-N 485.503 2.043 50 10 JEGE CC(C)(C)OC(=O)N1C[C@@H](C(=O)NCC2CC(Br)C2)S(=O)(=O)C(C)(C)C1 1892657617 KBXNGCPHWVBVNS-BPCQOVAHSA-N 453.399 2.089 50 10 JEGE Cn1ncc(C(=O)N2C[C@H](Br)C[C@@]3(CCCO3)C2)c1I 1924292427 QSNFPSWNERYFJF-RNCFNFMXSA-N 454.106 2.183 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC1(CBr)CCOCC1 2029232335 HIGYWSZSHVNOFH-UHFFFAOYSA-N 473.389 2.316 50 10 JEGE CO[C@H]1CN(S(=O)(=O)N2CCC(Br)CC2)[C@](C)(CNC(=O)OC(C)(C)C)C1 2163049664 BJMSXAJZKMDKLV-PBHICJAKSA-N 470.430 2.095 50 10 JEGE CC1(C[S@@](C)(=O)=NS(=O)(=O)N2CCC(Br)CC2)CN(C(=O)OC(C)(C)C)C1 2192789352 WMFHCBVBHFUJFB-AREMUKBSSA-N 488.470 2.445 50 10 JEGE COC(=O)c1ccc(/C=N/NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 59384766 QVUIYKNPSSXKSL-QPHXDFOYSA-N 453.480 2.325 50 10 JEGE CCOc1cc(/C=N/NC(=O)[C@H]2C(=O)NC[C@H]2c2ccccc2)cc(I)c1O 101536789 XMZNSYMMUJFINW-JJUHCDQJSA-N 493.301 2.375 50 10 JEGE CCCN1C(=O)C(=NNC(=O)CCC(=O)NN=C2C(=O)N(CCC)c3ccccc32)c2ccccc21 245266121 INUUDACFCKDKKE-UHFFFAOYSA-N 488.548 2.321 50 10 JEGE COc1ccccc1C=NNC(=O)c1nnn(-c2nonc2N)c1CSc1ccccc1 254508880 ZCFUPGGWCYJJLX-UHFFFAOYSA-N 450.484 2.297 50 10 JEGE O=C(COc1ccccc1)NN=C1C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 1084499433 YBSRTMYCDAFDMG-UHFFFAOYSA-N 468.469 2.229 50 10 JEGE C#Cc1cccc(NC(=S)NNC(=O)[C@@H]2C[C@@H](OC)CN2C(=O)OCc2ccccc2)c1 1633773709 QLUUVTSENILJCF-UXHICEINSA-N 452.536 2.412 50 10 JEGE CCOc1ccc(OCC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1860769717 FPTUHDZPVGHJGQ-CQSZACIVSA-N 470.551 2.208 50 10 JEGE CC(C)(C)OC(=O)N1CCC[C@]12CC[S@@](=O)(=NS(=O)(=O)CI)C2 1983327068 IENNRJLARWDXSA-DMZKTXOQSA-N 478.374 2.350 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@H]1C[C@@H]([C@@H](F)CBr)C1 2021850228 SFAVZDKEELRPTP-ZENOOKHLSA-N 461.353 2.494 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCO[C@@H]2C[C@@H](CCl)C[C@H]21 2199783933 VKKCEIFWFCVINQ-BMGDILEWSA-N 454.976 2.357 50 10 JEGE Cc1nc(NC(=O)[C@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)ncc1B(O)O 2269548216 PEVRZZRGVJRZAS-QHCPKHFHSA-N 488.353 2.357 50 10 JEGE O=C(CCC(=O)OCCCc1ccccc1)NC(=S)NNC(=O)c1ccccc1[N+](=O)[O-] 13999216 NPKBPPBAWDJHRK-UHFFFAOYSA-N 458.496 2.187 50 10 JEGE COc1ccccc1/C=N/Nc1nc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)n[nH]1 20923530 LWYOXQAYTDFMAP-UFFVCSGVSA-N 459.919 2.466 50 10 JEGE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NN=C/C=C/c3ccccc3[N+](=O)[O-])CC2)cc1 254631253 JOCMPPNTTXFRFQ-XPGFCZFASA-N 471.539 2.025 50 10 JEGE CC(=O)O[C@@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 616590434 RDLYSPHPIQHWLE-QXCZDIPSSA-N 462.568 2.091 50 10 JEGE C[C@H]1CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C[C@H](CBr)O1 703965623 RDYOAAKLGXIXIO-KBPBESRZSA-N 473.389 2.123 50 10 JEGE COc1ccc(CC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)c(OC)c1 1860772201 UZOSBZJLMMFVIT-ZDUSSCGKSA-N 470.551 2.305 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NCCN1CCC(Br)CC1 2089707162 KTQGKNDKKYWLOV-UHFFFAOYSA-N 486.432 2.232 50 10 JEGE Cc1cc(B(O)O)sc1CNC(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 2302868615 VCOPQSOFJLTOTM-UHFFFAOYSA-N 476.363 2.424 50 10 JEGE Cc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1I 13623057 OFPNPLCNKOHPKT-MRXNPFEDSA-N 477.302 2.409 50 10 JEGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCc2ccccc2)cc1 14011524 JRCCJYXWKDFJIG-UHFFFAOYSA-N 457.552 2.216 50 10 JEGE CC1CC(CBr)(NS(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2000535124 YEFBQKSXTKRPTG-AFSSOGTRSA-N 461.353 2.494 50 10 JEGE CN(C)[S@](=O)(=NC(=O)CCCCBr)N1CCN(C(=O)OC(C)(C)C)CC1 2106591874 SUCBTSOBFBSSFA-AREMUKBSSA-N 455.419 2.491 50 10 JEGE Cc1ccc(B(O)O)c(NC(=O)[C@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)c1 2284015072 IPQZQDOENQKYJN-RUZDIDTESA-N 468.359 2.457 50 10 JEGE CN(NC(=O)c1ccc(Br)cc1I)S(=O)(=O)C1CC1 2339771075 NKUUOBKIMCJZIZ-UHFFFAOYSA-N 459.103 2.123 50 10 JEGE CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 12569882 LOPWAGZTNSZNBR-UHFFFAOYSA-N 474.539 2.400 50 10 JEGE CCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2Br)cc1 14027562 WHGQXRKUDHMVCY-UHFFFAOYSA-N 480.340 2.340 50 10 JEGE Cn1cc(C(=O)NNS(=O)(=O)c2cc(Br)cc(C(=O)O)c2F)c2ccccc21 728503022 HMYYASPZIDWZGW-UHFFFAOYSA-N 470.276 2.401 50 10 JEGE CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)NN=Cc2ccccc2)c(OC)c1 1084170635 HFRFNYOTFFDKRS-QFIPXVFZSA-N 466.494 2.415 50 10 JEGE C[C@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)CCC(=O)c4ccccc4)c(=O)c23)C1 1860769646 BPVJUEKSVBHQRG-AWEZNQCLSA-N 452.536 2.393 50 10 JEGE CCCc1nn(C)c2c1[C@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2 1865687449 RLOUIJHHDGMNPD-OAQYLSRUSA-N 453.543 2.310 50 10 JEGE CC(C)[C@@H](CI)NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1928302045 WMGJNGQFHXRZNU-OAHLLOKOSA-N 478.352 2.442 50 10 JEGE Cn1nc(Br)cc1S(=O)(=O)NC(C)(CBr)CBr 1942137787 HSNJBESCDUHPTE-UHFFFAOYSA-N 453.982 2.009 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCOC[C@@](C)(CBr)C1 2135099006 ZRUSVKQCDABIJO-OALUTQOASA-N 491.379 2.074 50 10 JEGE CCN(CCBr)CCC[C@H](C)NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2139273157 BRDRGQXDKOTUKC-INIZCTEOSA-N 488.448 2.478 50 10 JEGE CC(C)(C)OC(=O)N1CCOC[C@@](F)(CNS(=O)(=O)CCC(CCl)CCl)C1 2182442944 DLHPFZUXRXUKRC-MRXNPFEDSA-N 451.388 2.365 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2CC[C@H](CCl)O[C@H]2C1 2289349480 SNMOTHQUNDOMHH-ACNBBOPNSA-N 458.939 2.059 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H]1COCC[C@H]1Br 2316819211 YULZRNGAJAOOPH-IAGOWNOFSA-N 473.389 2.315 50 10 JEGE CC(=O)Nc1ccc(NC(=O)C(C#N)=CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 2324187087 PHVQZBNQEUXGMY-UHFFFAOYSA-N 467.551 2.306 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCCCOCCBr 703994234 QDWQVPSSRJGBOT-UHFFFAOYSA-N 461.378 2.030 50 10 JEGE COc1ccc(C(C)=NNc2nc(S[C@H](C)C(=O)NNC(=O)C3CCC3)n[nH]2)cc1OC 1083966480 WGTQZIKUWCWCDU-GFCCVEGCSA-N 461.548 2.086 50 10 JEGE Cc1sc2ncn(CC(=O)NNC(=O)c3ccc(I)cc3)c(=O)c2c1C 1860771930 MILLTPRWKDYRMY-UHFFFAOYSA-N 482.303 2.141 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@@H]2CCC[C@@]2(CBr)C1 1997171359 UJXNYIUSHABDMA-IFXJQAMLSA-N 455.374 2.500 50 10 JEGE C[C@@]1(NS(=O)(=O)N2CCC(Br)CC2)CCN(C(=O)OCc2ccccc2)C1 1999277079 TWBGXZLBKGJBDR-GOSISDBHSA-N 460.394 2.481 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@@H]2CCC[C@H](C1)C2Br 2002467943 HARATVUUYBZMNP-VMZNBEPHSA-N 455.374 2.498 50 10 JEGE Cc1nc(I)c(I)n1Cc1ccc(C(=O)NN)s1 2028586292 PRHMNMMQRJKSBL-UHFFFAOYSA-N 488.092 2.114 50 10 JEGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1ccccc1B(O)O 2248414718 OAZZAATYDPZTIZ-QGZVFWFLSA-N 458.323 2.252 50 10 JEGE Cc1ccc(S(=O)(=O)NCCCN(Cc2ccccc2)Cc2ccccc2)c(B(O)O)c1 2255754667 CXDOLHJRVDCAIE-UHFFFAOYSA-N 452.385 2.046 50 10 JEGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNCc1ccc(S(N)(=O)=O)cc1 2318463155 XSVNNKMCYLKBOO-UHFFFAOYSA-N 496.330 2.383 50 10 JEGE CC(=O)NNC(=O)CSCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 226844240 OWXRJMWNKIWYNI-FQEVSTJZSA-N 471.535 2.269 50 10 JEGE C=CC[C@]1(C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)CCCN1C(=O)OC(C)(C)C 1350197976 DPMZOAFOKXTHFQ-OAQYLSRUSA-N 451.545 2.197 50 10 JEGE C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12C[C@@H](Cl)[C@H](OC(C)=O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)OCOC 1848439844 QFBQZQPMICODGH-JCRWZZGOSA-N 468.930 2.102 50 10 JEGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNS(=O)(=O)CBr)C1 1884165583 GYWKRNUHXKFRJP-MRXNPFEDSA-N 462.410 2.380 50 10 JEGE O=S(=O)(N1CCC(CI)CC1)N1CC(OCc2ccccc2)C1 1977424750 WFLRNLVAJHXXEA-UHFFFAOYSA-N 450.342 2.279 50 10 JEGE O=S(=O)(CI)N[C@H]1CN(Cc2ccccc2)[C@]2(CCCOC2)C1 1983330251 CWKSFMIULWFABJ-HZPDHXFCSA-N 450.342 2.122 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCCN(CCCCl)CC1 2366457913 JCGWRCFWUTXFJN-UHFFFAOYSA-N 456.008 2.275 50 10 JEGE C=CCN1C(=O)/C(=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c2ccccc21 100139874 KHMATHFJLJFIPV-YYDJUVGSSA-N 466.563 2.449 50 10 JEGE CC1=C(C#N)C(=O)N(C)C(=O)/C1=C/Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 101459220 YOAGTBLOTAVVOP-WOJGMQOQSA-N 452.496 2.029 50 10 JEGE CN1CCN(CN2C(=O)C(=NNC(=O)c3ccccc3)c3cc(Br)ccc32)CC1 254734650 KEILZBBSFZSCHS-UHFFFAOYSA-N 456.344 2.135 50 10 JEGE N#CCCn1cc(/C=C(/C#N)C(=O)NCCN2CCN(c3ncccn3)CC2)c(-c2ccccc2)n1 918623007 FDPAHWJHJDGOQS-PYCFMQQDSA-N 481.564 2.099 50 10 JEGE CC(=O)N1CC[C@@H](NC(=O)NNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)c2ccccc21 1469416934 SKYPPHLWKKOGIZ-GOSISDBHSA-N 459.547 2.462 50 10 JEGE C=CCNS(=O)(=O)c1ccc(CC(=O)NNC(=O)[C@@H](C)Oc2cccc(Cl)c2)s1 1634392480 JDSTZOPEBWDZJW-GFCCVEGCSA-N 457.961 2.023 50 10 JEGE O=C(CBr)Nc1c(I)ncnc1I 1881969022 BMHSZGBVXDPEGD-UHFFFAOYSA-N 467.830 2.019 50 10 JEGE CC(C)(C)OC(=O)N1C[C@@H]2CCN(S(=O)(=O)N3CCC(Br)CC3)C[C@H]2C1 2106773721 UCUSOFRYUXDSIB-UONOGXRCSA-N 452.415 2.279 50 10 JEGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2ccc(B(O)O)cc21 2248414556 LRIWSRBOMHJCPQ-INIZCTEOSA-N 456.307 2.183 50 10 JEGE CC(C)(C)OC(=O)N1CC(N(OCc2ccccc2)C(=O)c2ccc(B(O)O)c(Cl)c2)C1 2255502492 YJOLCJDDPIRGPN-UHFFFAOYSA-N 460.723 2.213 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@@H](Br)C[C@]2(CCCO2)C1 1924300169 XRFRXYWIDHYDLX-MGPUTAFESA-N 485.400 2.411 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NCCCOCCBr 1942090939 ZWDSNFAYDRKTLY-UHFFFAOYSA-N 461.378 2.174 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC1CC(CBr)C1 2002989019 RAPZIVLWNSFHKA-PWGQDJSOSA-N 461.353 2.351 50 10 JEGE CN1C(=C(C#N)C(=O)COC(=O)CCNS(=O)(=O)c2ccccc2)Sc2ccccc21 2040463778 NBHDMXKBFRRIGA-UHFFFAOYSA-N 457.533 2.445 50 10 JEGE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(B(O)O)s1 2243918782 LIRVPARBEWNCAG-UHFFFAOYSA-N 464.352 2.361 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N(CCBr)C1CCOCC1 2328328451 UDRSPWIUDIDQHE-UHFFFAOYSA-N 473.389 2.269 50 10 JEGE COc1cc(C=NNC(=O)CN2CCOCC2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 8437530 KELSSONNCZWWTD-UHFFFAOYSA-N 454.527 2.112 50 10 JEGE C/C(=N\Nc1nc(SCC(=O)NNC(=O)C(F)(F)F)n[nH]1)c1ccc(Br)cc1 20835425 WNINBHJAEQEIIR-IFRROFPPSA-N 480.270 2.205 50 10 JEGE C=CCOc1ccccc1C(=O)NNC(=O)CCCC(=O)NNC(=O)c1ccccc1OCC=C 100138210 PJCXOHXIRCQASW-UHFFFAOYSA-N 480.521 2.209 50 10 JEGE N#CC1(O)CCN(C(=O)[C@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 757397454 FSXSZTYNSAKUJT-NRFANRHFSA-N 463.490 2.245 50 10 JEGE COc1cc(C=NNC(=O)CN2CCOCC2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 1084509459 HQLYOPATBKUHLK-UHFFFAOYSA-N 461.902 2.408 50 10 JEGE O=C(NS(=O)(=O)c1ccc(CCNC(=O)c2ccncc2)cc1)Oc1ccc([N+](=O)[O-])cc1 1859006027 ZPKLPVNHFSEVCT-UHFFFAOYSA-N 470.463 2.440 50 10 JEGE CC(C)(C)OC(=O)N1CCC[C@H]1c1nc(NS(=O)(=O)CI)n[nH]1 1987353404 ZLUXTDFIJPKHTJ-QMMMGPOBSA-N 457.294 2.011 50 10 JEGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1C[C@@H](CBr)[C@@H](C(F)(F)F)C1 1999598383 CRPPAPLKXORHST-MFKMUULPSA-N 469.279 2.118 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CBr)CC(F)F 2000540971 HMRIZYRZEYEYQU-MGPLVRAMSA-N 471.295 2.349 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@@H]1COC2(CCC2)[C@H]1Br 2085559010 CPVLMPAOQODSMX-CVEARBPZSA-N 471.373 2.067 50 10 JEGE O=C(CNC(=O)C1CCCCC1)NNC(=O)COc1ccc(Br)cc1Br 13985240 JZRHNPMTCRPOBN-UHFFFAOYSA-N 491.180 2.434 50 10 JEGE O=C(CCC(=O)OCCc1ccccc1)NC(=S)NNC(=O)c1ccc(NC(=O)C2CC2)cc1 14011511 MJSRWGMNLGJSAV-UHFFFAOYSA-N 482.562 2.237 50 10 JEGE O=C(N/N=C1/C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21)c1ccc([N+](=O)[O-])cc1 59471828 VXCISENGOXVTCV-YYADALCUSA-N 483.440 2.372 50 10 JEGE CC(=O)NNC(=O)[C@@H](C)Sc1n[nH]c(NN=Cc2ccccc2OCc2ccccc2)n1 1083969297 GEJKALRPLIRCFC-CQSZACIVSA-N 453.528 2.478 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CC[C@@H](Br)C(F)(F)CC1 1944959586 KYHJWDJRGIBFKT-CQSZACIVSA-N 465.316 2.497 50 10 JEGE CC(C)(CNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O)OCCBr 2046027363 BJZCIXVXOXKZGT-SFHVURJKSA-N 479.368 2.120 50 10 JEGE CCN1CCC[C@@H]([C@H](Br)c2cnn(C)c2I)S1(=O)=O 2089516396 WULQCMOSADBBBF-VHSXEESVSA-N 462.151 2.275 50 10 JEGE O=S(=O)(N1CCC(Br)CC1)N1CC[C@@]2(CN(Cc3ccccc3)CCO2)C1 2162201934 NEENQUMXDSLZCC-LJQANCHMSA-N 458.422 2.067 50 10 JEGE CC(C)(C)OC(=O)NCCSSCCNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2255626339 FKELSMNGTSNYBJ-UHFFFAOYSA-N 472.442 2.345 50 10 JEGE Cc1c(C(=O)NCCCN2CCOCC2)oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 40812143 CCYVTXCKFYZWIB-LGUFXXKBSA-N 483.525 2.419 50 10 JEGE CCCCCOc1ccc(/C=N\NC(=O)c2cc(C)nn2-c2nnc(C)c(=O)[nH]2)cc1OC 169921321 CUFNNOMWQRTTES-QRVIBDJDSA-N 453.503 2.309 50 10 JEGE Cc1cccc(Cn2cc([N+](=O)[O-])c(C(=O)NN=Cc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3O)n2)c1 1084573697 QXJOHYGCNFGNSK-UHFFFAOYSA-N 469.370 2.434 50 10 JEGE CC(=O)N1CCN(Cc2ccccc2NC(=O)NNC(=O)c2nc3ccccc3s2)CC1 1466194807 UZHOJRIKGBNLOB-UHFFFAOYSA-N 452.540 2.427 50 10 JEGE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(C)(C)O)c1 1616526094 BJPUVPMIDYPNEP-UHFFFAOYSA-N 451.932 2.253 50 10 JEGE CC(C)(C)OC(=O)N1C[C@]23CCC[C@]2(C1)CN(S(=O)(=O)CI)C3 1983329744 MPWQDWRYDKRSIT-GJZGRUSLSA-N 456.346 2.432 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H](Br)C1CCC1 2000532215 IAFHARNVRJGRJM-MAUKXSAKSA-N 461.353 2.494 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H]2OCCC[C@]2(CBr)C1 2230593316 YHFCCYRYWUEGDE-XLIONFOSSA-N 485.400 2.269 50 10 JEGE O=C(NOCCCNC(=O)c1c(F)cccc1B(O)O)OCC1c2ccccc2-c2ccccc21 2255720518 SVLSRXCCATUNBM-UHFFFAOYSA-N 478.285 2.096 50 10 JEGE CN(Cc1cc(B(O)O)cs1)C(=O)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2283982758 BTQKXXUCOLTVMY-DEOSSOPVSA-N 488.415 2.230 50 10 JEGE CCOc1ccc(C=CC(=O)NC(=S)NNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 2314109238 UMEGBLCRYNLMJA-LJQANCHMSA-N 466.563 2.169 50 10 JEGE COc1ccc(C=NNC(=O)CCCC(=O)NN=Cc2ccc(OC)c(OC)c2)cc1OC 17420068 RJEVFRSZTQVHQQ-UHFFFAOYSA-N 456.499 2.492 50 10 JEGE O=C(CSc1n[nH]c(NN=Cc2ccc([N+](=O)[O-])cc2)n1)NNC(=O)c1ccc(Cl)cc1 1084115077 FBOGIXJEMCMQCX-UHFFFAOYSA-N 474.890 2.366 50 10 JEGE O=C(N[C@@H]1CCCN(S(=O)(=O)N2CCC(Br)CC2)C1)OCc1ccccc1 2253198130 JDEOJFZIDKORHA-QGZVFWFLSA-N 460.394 2.481 50 10 JEGE O=C(NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1)c1cc(B(O)O)c(Cl)s1 2255590209 BIBDKGBNVUZSFA-UHFFFAOYSA-N 470.787 2.283 50 10 JEGE Cc1ccc(S(=O)(=O)N2CCN(C=C(C#N)C(=O)N3CCN(Cc4ccccc4)CC3)CC2)cc1 2325452271 OPBJZBPTVYXUJI-UHFFFAOYSA-N 493.633 2.053 50 10 JEGE CC(C)C(=O)NNC(=O)[C@@H](C)Sc1n[nH]c(N/N=C/c2cc(Br)ccc2O)n1 59879549 PKIHUMMBIUZRJO-NKXMEUTISA-N 470.353 2.003 50 10 JEGE CCOc1ccc(C)cc1[C@@H](C)NC(=O)/C(C#N)=C\N(CCN(C)C)[C@@H]1CCS(=O)(=O)C1 217185859 IMHFPKIVENXGTP-NJURWTRUSA-N 462.616 2.029 50 10 JEGE C#CCN(CC(=O)NN=c1cc(C(F)(F)F)[nH]c(-c2ccncc2)n1)C(=O)OC(C)(C)C 1558937654 RUTUQKQDPKGDNW-UHFFFAOYSA-N 450.421 2.293 50 10 JEGE CC(=O)N[C@](C)(C(=O)NNc1ccccc1Br)c1ccc(S(C)(=O)=O)cc1 1623470065 VNBNNOSMEDJNCG-SFHVURJKSA-N 454.346 2.347 50 10 JEGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1ccc(B(O)O)cc1 2248396507 ABZOPTFDMRJPEH-QGZVFWFLSA-N 458.323 2.252 50 10 JEGE CCOCCCNC(=O)C(C#N)=Cc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1 2297381884 LRFVNFFBNTZEHH-UHFFFAOYSA-N 473.551 2.417 50 10 JEGE O=C(NN=Cc1ccc([N+](=O)[O-])cc1)c1cccc(C(=O)NN=Cc2ccc([N+](=O)[O-])cc2)n1 252593500 BKKOQLKSPGFOSO-UHFFFAOYSA-N 461.394 2.426 50 10 JEGE N#CC=C1Sc2ccccc2C(=O)N1CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 2040469655 GVNBQXUVOARBAP-UHFFFAOYSA-N 468.560 2.133 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@]2(CCN(S(=O)(=O)N3CCC(Br)CC3)C2)C1 2106775294 WCHBNSODXFOLJD-KRWDZBQOSA-N 452.415 2.423 50 10 JEGE O=C(N[C@H]1CS(=O)(=O)C[C@@H]1Cl)c1ccc(Br)cc1I 2142281170 NAFJAKNXVGVDEU-WPRPVWTQSA-N 478.533 2.188 50 10 JEGE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)[C@H](Br)C2CCCC2)C1 2167047743 KZLGQWHQZURDLG-HUUCEWRRSA-N 467.426 2.481 50 10 JEGE O=C(NCCC(=O)N1CCc2c(cccc2B(O)O)C1)OCC1c2ccccc2-c2ccccc21 2257365147 PCDVBCIWXMLOSL-UHFFFAOYSA-N 470.334 2.180 50 10 JEGE COC(=O)c1ccc(/C=N/NC(=O)C2=C(C)NC(=S)N[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 59384694 IUUSMJMVHNCLFC-NMONLQQWSA-N 453.480 2.325 50 10 JEGE O=C(CN(c1ccccn1)S(=O)(=O)c1ccccc1)NN=Cc1cccc2c1OCCO2 254764468 PDIPGICHTHCXDC-UHFFFAOYSA-N 452.492 2.198 50 10 JEGE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNc3ccc(Cl)c(C)c3)cc2)CC1 1634260745 IMFOKHRHEVMRDN-UHFFFAOYSA-N 450.948 2.258 50 10 JEGE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)Nc2ccc(B(O)O)c(F)c2F)C1 2284141730 FQYHXLLRGFJUQS-UHFFFAOYSA-N 476.285 2.037 50 10 JEGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)c1cccc([N+](=O)[O-])c1 12502133 LNXSKLJTEUIJJC-UHFFFAOYSA-N 467.301 2.380 50 10 JEGE COc1cc(C(=O)NNC(=O)CCCNC(=O)c2ccccc2)cc(Br)c1O 34981638 SLBPFQKRXPQMLL-UHFFFAOYSA-N 450.289 2.135 50 10 JEGE O=C(NNC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)c1cccc2cccnc12 730540360 PLUOOQSZUVFDTF-IBGZPJMESA-N 452.536 2.238 50 10 JEGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1)NC[C@H]1CCCO1 1084529191 KKSOHLNZGCTYIC-LJQANCHMSA-N 492.454 2.468 50 10 JEGE NC(=O)[C@H]1CCCN(Cc2cccc(CNC(=O)NNC(=O)c3ccc(Br)cc3)c2)C1 1326994695 HUKANBCOQWWNBC-SFHVURJKSA-N 488.386 2.291 50 10 JEGE C/C(=C/c1ccncc1)C(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 1463674577 JWDYVJJGBJYCQR-VKAVYKQESA-N 450.520 2.425 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H]1C[C@@H](Br)CCO1 2036677637 FGYLKOBCEBROHJ-UONOGXRCSA-N 473.389 2.171 50 10 JEGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1CBr 2264208258 BNFDKZGPOUMWRK-MRXNPFEDSA-N 463.353 2.434 50 10 JEGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(B(O)O)c(OC)c1 2339881575 PYDMIKIJYSWNGA-XMMPIXPASA-N 488.349 2.309 50 10 JEGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccccn2)cc1 1083872366 PJBSDYDMSGWUTC-UHFFFAOYSA-N 452.536 2.474 50 10 JEGE Nn1c(SCCCC(=O)NN=Cc2cc([N+](=O)[O-])ccc2O)nnc1-c1cccc([N+](=O)[O-])c1 1084224872 NPIQHMGWFXFLOZ-UHFFFAOYSA-N 486.470 2.204 50 10 JEGE O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)NNS(=O)(=O)c1ccc(Br)cc1 1860770795 XKBQWLGMHDQGFK-UHFFFAOYSA-N 497.396 2.109 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H](CCBr)C1 2000541846 JCMYJVILDRFAGF-SCLBCKFNSA-N 461.353 2.448 50 10 JEGE O=C(C=Cc1ccccc1Cl)NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 2314109165 AYYJTUSESNAUQZ-QGZVFWFLSA-N 456.955 2.424 50 10 JEGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)NCc1sc(Cl)cc1B(O)O 2320674019 DVENHXIVVVMJPF-OAHLLOKOSA-N 482.795 2.198 50 10 JEGE CCOc1cc(C=NNC(=O)Cn2c(O)nc3ccccc3c2=O)cc(Br)c1O 2328808905 QLRNWWDEJADZOM-UHFFFAOYSA-N 461.272 2.119 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCN2C[C@@H](Cl)C[C@@H]2C1 2364209807 WPRPHCUAUGVOAX-DLBZAZTESA-N 453.992 2.170 50 10 JEGE COc1ccc(O)c(/C=N/Nc2nc(SCC(=O)NNC(=O)c3ccc(Cl)cc3)n[nH]2)c1 20923276 RVVFJEKVGLZQFT-ZVBGSRNCSA-N 475.918 2.172 50 10 JEGE O=C(N1C[C@H](CO)CN(Cc2ccccc2)C[C@H]1CI)C(F)(F)F 697674926 RNEUWUNRENBMKF-ZIAGYGMSSA-N 456.246 2.305 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCCCI 703993077 IJWJHZRCMVRMNJ-UHFFFAOYSA-N 464.325 2.053 50 10 JEGE CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(F)cc2)c1C 912663502 HDQHNRPDWKTNMO-JCAJYURWSA-N 486.569 2.292 50 10 JEGE C=CCNC(=S)NNC(=O)c1cn(C)nc1[C@H]1CCCN(C(=O)OCc2ccccc2)C1 1290173435 JUGGYRAFNWXNST-KRWDZBQOSA-N 456.572 2.231 50 10 JEGE CC(C)(C)OC(=O)N1CCN([S@@](C)(=O)=NCCOCCI)CC1 1904642049 HNXPADRLRNBANF-QHCPKHFHSA-N 461.366 2.004 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1COC2(CCC2)[C@@H]1Br 2141556622 MPHDZRQICXGYRO-RKVPGOIHSA-N 489.363 2.015 50 10 JEGE COC(=O)[C@@H](I)CNC(=O)c1cc(Br)ccc1[N+](=O)[O-] 2185667789 HICCZBHNSXWAMV-QMMMGPOBSA-N 457.018 2.064 50 10 JEGE CN(C[C@]1(O)CCCN(Cc2ccccc2)C1)S(=O)(=O)N1CCC(Br)CC1 2286348579 KEAYAIRBYPMBGP-LJQANCHMSA-N 460.438 2.049 50 10 JEGE Cc1ccc(C=C2SC(=S)N(CCC(=O)NNC(=O)c3cc(O)c(O)c(O)c3)C2=O)cc1 2297554495 ABNAFBTXWXZHIF-UHFFFAOYSA-N 473.532 2.164 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCOC[C@H]1CBr 2316827240 OYPIYESSESVFEN-OAHLLOKOSA-N 473.389 2.269 50 10 JEGE COc1cc(C=NNC(=O)CCNc2nnc(O)nc2O)ccc1OCc1ccc(C)cc1 2323181807 FKCXCEVMBKWBIB-UHFFFAOYSA-N 452.471 2.131 50 10 JEGE COc1ccc(CC(=O)NNC(=S)NC(=O)c2ccc(OC)c(Br)c2)cc1 12570401 RKKGVFYLIXZNPE-UHFFFAOYSA-N 452.330 2.345 50 10 JEGE O=C(COC(=O)c1cc(-c2cccc(Cl)c2)no1)NNC(=O)[C@H]1COc2ccccc2O1 728340993 VKNHYEXKXYHIMU-GOSISDBHSA-N 457.826 2.139 50 10 JEGE CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)cc1 1858081736 DMYQAOFOAWEKMK-UHFFFAOYSA-N 462.528 2.359 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1C[P@@](C)(=O)C[C@H]1Br 2057715218 SIOMIYLDGVMWRY-RHFKOARHSA-N 491.344 2.367 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2OCC[C@@]2(CBr)C1 2278886268 CXDCOZLYWPGNKO-OXQOHEQNSA-N 485.400 2.124 50 10 JEGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC 2296429880 FHHHFZHLCTZCSZ-UHFFFAOYSA-N 475.523 2.079 50 10 JEGE COc1ccc(Cn2cccc(C(=O)NN=Cc3cc([N+](=O)[O-])cc(OC)c3O)c2=O)cc1 2323656463 JVAJBJSYZSROKK-UHFFFAOYSA-N 452.423 2.292 50 10 JEGE O=C(CCC(=O)Nc1ccccc1)NNC(=S)NC(=O)COc1ccc(Br)cc1 12572156 VPZMHZDQCBMZKI-UHFFFAOYSA-N 479.356 2.269 50 10 JEGE Nc1nonc1-n1nnc(C(=O)N/N=C/c2cc(Br)cs2)c1-c1ccccc1 15879906 VPLDWSPRUDLSQZ-FBCYGCLPSA-N 459.289 2.487 50 10 JEGE Cc1ccc(N2C(=O)[C@@H](C=NNC(=O)CC[C@@H](O)c3ccccc3)C(=O)NC2=S)cc1C 725382396 BJMWVUCVEIUKDT-RBUKOAKNSA-N 452.536 2.283 50 10 JEGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)OCc2ncc(Cl)n2C)cc1 914016019 FOVXRFITUCXMEZ-DHDCSXOGSA-N 468.901 2.471 50 10 JEGE O=C(COc1ccc(C=NNC(=O)C(=O)N2CCCCCC2)cc1)NCCc1ccccc1 1083944758 UTTCRLLYRBKISF-UHFFFAOYSA-N 450.539 2.277 50 10 JEGE C=CC(=O)N1CCC(C(=O)NNC(=O)Cn2c(CC)nc3ccccc32)(c2ccccc2)CC1 1587203713 YIHQQYPDPGYJJJ-UHFFFAOYSA-N 459.550 2.493 50 10 JEGE CC(C)(CI)CN1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@@H]21 2306817694 BXNUEYKYPQRNAF-STQMWFEESA-N 472.389 2.166 50 10 JEGE Cc1cc(OCC(=O)NNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)ccc1Br 13623044 NBJRBPHVCQRHKP-INIZCTEOSA-N 460.328 2.332 50 10 JEGE CCCn1c(CCC(=O)NNC(=O)c2ccc(Cl)cc2)nc2cc(S(N)(=O)=O)ccc21 27770927 CTWVCZJKOMWVBK-UHFFFAOYSA-N 463.947 2.141 50 10 JEGE Nc1c(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cnc2ccc(Cl)cc12 32605645 FKPZAWZUGUWPCI-UHFFFAOYSA-N 473.942 2.330 50 10 JEGE COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(\C)NNC(=O)c1cc(OC)cc(OC)c1 205944379 FXEXCYUILVDHFT-HYARGMPZSA-N 482.493 2.187 50 10 JEGE CC(=NNC(=O)c1scnc1C)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)O)cc1 729640764 PUCJEMIURVQPCB-INIZCTEOSA-N 450.542 2.233 50 10 JEGE O=C(NNC(=O)[C@H]1C[C@@H]1c1cccc2ccccc12)c1cccc(S(=O)(=O)N2CCOCC2)c1 730735972 FMZWSYXVQLRSFR-PKTZIBPZSA-N 479.558 2.425 50 10 JEGE C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(C(=O)NN(C)C(N)=O)c1 1466167511 JCWZXEZEURDWGA-UHFFFAOYSA-N 452.920 2.385 50 10 JEGE CC(=O)Oc1ccc(C[C@H](NC(=O)CCS(C)(=O)=O)C(=O)Nc2ccc(SC#N)cc2)cc1 1867023251 XWIQUWFECLTZLM-FQEVSTJZSA-N 489.575 2.286 50 10 JEGE CC(=O)Nc1ccc(C)c(N2C[C@@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)c1 1872960536 DIHDMAVQJNUSTI-OALUTQOASA-N 478.553 2.083 50 10 JEGE Cc1nc(NC(=O)[C@@H](CC(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)ncc1B(O)O 2269558942 PEVRZZRGVJRZAS-HSZRJFAPSA-N 488.353 2.357 50 10 JEGE CC1(C)[C@]2(C(=O)NNC(=O)[C@]34CC[C@](C)(C(=O)O3)C4(C)C)CC[C@@]1(C)C(=O)[C@H]2Br 35548756 VPRQWOKOQBDRSW-BNSYNLSOSA-N 469.376 2.415 50 10 JEGE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)cc1 1622886537 JPIKIDBKBIKWCF-CQSZACIVSA-N 450.492 2.252 50 10 JEGE CC(C)(C)OC(=O)NCC1CCS(=O)(=NS(=O)(=O)CI)CC1 1910109159 UZWKHPIAYMGZNJ-UHFFFAOYSA-N 466.363 2.111 50 10 JEGE CO[C@](C)(CBr)CNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942090131 UPBROXAHUVWPLQ-GOSISDBHSA-N 461.378 2.172 50 10 JEGE COC(=O)[C@H](Br)CN(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C 1955887110 BBCDCPXMBSSOMM-CYBMUJFWSA-N 468.389 2.274 50 10 JEGE Cn1ncc([C@@H](Br)CS(=O)(=O)N2CCCCC2)c1I 2089398924 WVXWZFCCANHIMN-JTQLQIEISA-N 462.151 2.276 50 10 JEGE Cc1c(NC(=O)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)ccc(B(O)O)c1Cl 2268640722 YQTYRJCPXAUXJF-LJQANCHMSA-N 475.782 2.292 50 10 JEGE C[C@@H](NC(=O)C(C#N)=CN(CCN(C)C)[C@@H]1CCS(=O)(=O)C1)c1ccc2c(c1)CCCC2 2325118362 JQAGCHOZCCQYIW-WZONZLPQSA-N 458.628 2.201 50 10 JEGE COCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c1C 790313717 AZBJXUSIHIYGMT-PGMHBOJBSA-N 485.610 2.233 50 10 JEGE C#CCN(CC(=O)NNc1nc2ccccc2c(=O)n1CCCOCC)C(=O)OC(C)(C)C 1586164602 UMMDUEKUUODRIT-UHFFFAOYSA-N 457.531 2.137 50 10 JEGE COc1ccccc1C=CC=NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 2040452294 NGBIOINTSVGCPL-UHFFFAOYSA-N 457.552 2.464 50 10 JEGE O=C(O)c1cc(S(=O)(=O)NC[C@H]2C[C@H](Br)C2)ccc1I 2196881481 TZGPJIZDDZEVAI-ZKCHVHJHSA-N 474.114 2.441 50 10 JEGE Cc1cc(OCC(=O)NC(=S)NNC(=O)COc2ccc([N+](=O)[O-])cc2)ccc1Br 12573602 DKPKASHVJQWILB-UHFFFAOYSA-N 497.327 2.145 50 10 JEGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)CCCC(=O)O 14013150 NMNZISAKMRIWDY-UHFFFAOYSA-N 452.099 2.301 50 10 JEGE C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)c3cn(C)c4ccccc34)cc2)C[C@@H](C)O1 15092825 ZVRPQLMWONXFGM-HZPDHXFCSA-N 470.551 2.051 50 10 JEGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(CBr)c2)[C@@H](C(=O)O)C1 95086939 IJTRWKSFYXMGEQ-CQSZACIVSA-N 463.350 2.276 50 10 JEGE COC(=O)c1ccc(C=NNC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(O)c(OC)c2)cc1 1084420439 FVAPRYXHDXZIGR-LJQANCHMSA-N 454.508 2.131 50 10 JEGE C#C[C@H](C)NC(=O)NNC(=O)Cc1csc(=NCc2ccco2)n1-c1cccc(OC)c1 1252431286 JACQOUBUKBZMBS-HNNXBMFYSA-N 453.524 2.136 50 10 JEGE CC(C)(C)OC(=O)NCCCOC1CCN(S(=O)(=O)CI)CC1 1983326737 DLTWAADKICBEML-UHFFFAOYSA-N 462.350 2.105 50 10 JEGE C[C@H](NC(=O)[C@@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(B(O)O)cc1 2248416620 WLEXJNBUJZEUCM-DLBZAZTESA-N 458.323 2.471 50 10 JEGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ncc(B(O)O)s1 2256624879 YSISGHYUGGWBDR-WNSKOXEYSA-N 493.394 2.393 50 10 JEGE C[C@@H](c1cscc1B(O)O)N(C)C(=O)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2256671165 OPJDCQHEMPDTLE-HNAYVOBHSA-N 462.377 2.057 50 10 JEGE C/C(=C(\C(=O)N(N)c1nc2ccccc2s1)C(=O)C(F)(F)F)N1CCC(C(N)=O)CC1 2835334 NNLHGVRVAVEFAM-GXDHUFHOSA-N 455.462 2.106 50 10 JEGE COCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccccc1OC 14662992 RNYFCLIYYUDMTD-UHFFFAOYSA-N 482.356 2.432 50 10 JEGE C[C@@H]1CCCCN1Cc1c(C(=O)NN=Cc2cccc(C(F)(F)F)c2)nnn1-c1nonc1N 254392871 HRUOMVSAKXFXJX-GFCCVEGCSA-N 477.451 2.390 50 10 JEGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)NN=Cc1ccccc1[N+](=O)[O-] 1084031432 JAPOMRFBCGRFJD-UHFFFAOYSA-N 477.510 2.408 50 10 JEGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2cccc(Cl)c2)cc1)NC[C@@H]1CCCO1 1084278410 ISBGPISNPGOSKP-IBGZPJMESA-N 458.902 2.103 50 10 JEGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(CCN3CCOCC3)cc2)cc1 1465352780 LSDIOYATZQIROG-SFHVURJKSA-N 454.527 2.384 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC1(CCBr)CC1 2000542525 KTEHDZCZGIMOGS-QGZVFWFLSA-N 461.353 2.495 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC(F)(F)C[C@@H]1CBr 2046023183 QAUKBCCFRFUMAW-BDJLRTHQSA-N 483.306 2.445 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H]1CCCN(CCBr)C1 2089698061 HEHUDCLAZKGIGS-INIZCTEOSA-N 486.432 2.232 50 10 JEGE CO[C@@H]1CN(S(=O)(=O)N2CCC(Br)CC2)[C@](C)(CNC(=O)OC(C)(C)C)C1 2163049667 BJMSXAJZKMDKLV-YOEHRIQHSA-N 470.430 2.095 50 10 JEGE C[C@H](NC(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)c1ccc(B(O)O)cc1 2268708060 XGZGDWZOJYBRQH-LAUBAEHRSA-N 456.348 2.044 50 10 JEGE COc1ccc(C=NOCC(=O)N/N=C2\C(=O)Nc3ccc(Br)cc32)cc1OC 263632156 GCWXARHRLOQTCQ-UHFFFAOYSA-N 461.272 2.289 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCSC[C@H]1CCBr 708351545 ZLYQUFYMFHRDJF-CYBMUJFWSA-N 461.403 2.205 50 10 JEGE CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccn2)Cc2ccccc2)cc1 1084287793 PCBFCWQFLIPVAO-UHFFFAOYSA-N 465.535 2.381 50 10 JEGE CCCN1C(=O)C(=NNC(=O)CNC(=O)c2ccccc2Br)c2cc(OC)ccc21 1772720264 HEGSFRRQVPSOQR-UHFFFAOYSA-N 473.327 2.465 50 10 JEGE COc1cccc(N2C[C@H](C(=O)N3CCN(C(=O)/C(C#N)=C/c4ccccc4)CC3)CC2=O)c1 1873793371 AAIPDCMRNKHGIF-JCZXDDDQSA-N 458.518 2.326 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CC[C@H](Br)C(F)(F)CC1 1944959585 KYHJWDJRGIBFKT-AWEZNQCLSA-N 465.316 2.497 50 10 JEGE C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCc2ccc(B(O)O)cc21 2283978341 AWMRRRORESKMOE-VGSWGCGISA-N 468.359 2.144 50 10 JEGE CCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)C=Cc2ccc(OC)c(OC)c2)cc1 2313617134 IHBVJYZBYZMKCF-UHFFFAOYSA-N 456.524 2.401 50 10 JEGE CC(=CC(=O)N[C@@H](CO)C(=O)Nc1ccc(SC#N)cc1)c1cccc(S(=O)(=O)N(C)C)c1 2331926160 NJRHTMUMSXZVNT-FQEVSTJZSA-N 488.591 2.029 50 10 JEGE Cc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1Br 12573212 URKUCBDHPYFGCL-UHFFFAOYSA-N 467.301 2.380 50 10 JEGE C=CCOc1ccc(Br)c(/C=N/NC(=O)CNS(=O)(=O)c2ccccc2)c1 20161117 RBVIWTREYKPJSY-UDWIEESQSA-N 452.330 2.443 50 10 JEGE Cc1ccc(C(=O)NNc2ncnc(NNS(=O)(=O)c3ccc(C)cc3)c2[N+](=O)[O-])cc1 40657458 AZFBDDWISMBPQB-UHFFFAOYSA-N 457.472 2.064 50 10 JEGE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NNC(=O)c3cn(C)c4ccccc34)nnc12 45353958 VFPRKAQHSKPXBD-UHFFFAOYSA-N 487.545 2.275 50 10 JEGE CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)c3cccc(C)n3)cc2)cc1 1556447705 UOOPUJFCDQUYJP-UHFFFAOYSA-N 452.492 2.468 50 10 JEGE C#CC[C@]1(C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)CCCN1C(=O)OC(C)(C)C 1638041947 UKOZAGMTRQXUPL-HSZRJFAPSA-N 453.499 2.132 50 10 JEGE CC(C)(C)OC(=O)N1CCCC[C@H]2[C@H]1[C@@H]2NS(=O)(=O)N1CCC(Br)CC1 2106306448 ZAQCWRDQODFIII-KFWWJZLASA-N 452.415 2.468 50 10 JEGE CC[C@]1(CBr)COCCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2112705859 OHNWRFIWNRUEKH-MOPGFXCFSA-N 491.379 2.217 50 10 JEGE Cc1sc(B(O)O)cc1C(=O)NCCCONC(=O)OCC1c2ccccc2-c2ccccc21 2247793198 CVJNGXYQUVRMBR-UHFFFAOYSA-N 480.351 2.327 50 10 JEGE Cc1cc(Cl)c(B(O)O)cc1NC(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2283957886 SWYOMYOIQBTGNK-DEOSSOPVSA-N 487.793 2.436 50 10 JEGE CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)C(C#N)=Cc2ccc3c(c2)OCO3)c1 2297348594 FMYRZLRULHVFFA-UHFFFAOYSA-N 491.909 2.408 50 10 JEGE CC(C)(CI)CN1CCN(C(=O)OC(C)(C)C)[C@@H]2CS(=O)(=O)C[C@H]21 2306817691 BXNUEYKYPQRNAF-CHWSQXEVSA-N 472.389 2.166 50 10 JEGE CCN1CCN(c2ncnc(NNC(=O)c3ccccc3Br)c2[N+](=O)[O-])CC1 40610663 ORFMHFKGJVBYOS-UHFFFAOYSA-N 450.297 2.046 50 10 JEGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccccc1[N+](=O)[O-] 41014839 VEGPVOPVGSROGS-SFQUDFHCSA-N 467.434 2.354 50 10 JEGE COc1cccc(/C=N/NC(=O)[C@H]2CCCN(C(=S)NN[C@H]3C[C@@H]4C=C[C@@H]3C4)CC2)c1O 215724499 KMHGIAGHSMGURL-MWYARGEVSA-N 457.600 2.297 50 10 JEGE COc1cc(C=NNC(=O)c2nnn(-c3nonc3N)c2CSc2ccccc2)ccc1O 254904407 MSTFZUPAOVTDDG-UHFFFAOYSA-N 466.483 2.003 50 10 JEGE C/C(=C\c1ccc(Br)o1)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 1538534769 MLDWLJLLLJKASE-PKNBQFBNSA-N 456.318 2.157 50 10 JEGE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNc3cccc(Cl)c3C)c2)CC1 1623505467 ILYQOQUHOBLQHE-UHFFFAOYSA-N 450.948 2.258 50 10 JEGE CCN1C(=O)C(=NNC(=O)CCC(=O)NN=C2C(=O)N(CC)c3ccc(C)cc32)c2cc(C)ccc21 1772719982 AZQUYERYFQVIOQ-UHFFFAOYSA-N 488.548 2.157 50 10 JEGE COc1cc(/C=N\NC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc([N+](=O)[O-])c1O 1860772835 ISEKCKHJCFKBKT-UYOCIXKTSA-N 457.468 2.110 50 10 JEGE O=C(N[C@H]1CS(=O)(=O)C[C@@H]1Br)c1ccc(I)c(Cl)c1 2121339337 ZADPAHKJOWNWKA-XVKPBYJWSA-N 478.533 2.235 50 10 JEGE CCOc1cc(/C=N/NC(=O)CSc2nnc(N)s2)ccc1OCC(=O)N(CC)CC 40947221 WEWKBINBOFXXKV-UFFVCSGVSA-N 466.589 2.009 50 10 JEGE C[C@@H]1CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C[C@H](CBr)O1 703965624 RDYOAAKLGXIXIO-KGLIPLIRSA-N 473.389 2.123 50 10 JEGE O=C(NNc1ccc(F)c(F)c1F)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 727759593 HYQFSFFYWUBNND-UHFFFAOYSA-N 471.457 2.419 50 10 JEGE O=C(Nc1cc(F)ccc1C(=O)NNC(=O)C1CCN(c2ncccn2)CC1)c1ccoc1 728890299 KUWXNZQGBRMMEF-UHFFFAOYSA-N 452.446 2.139 50 10 JEGE O=C(Cn1nnc(-c2ccccc2)n1)NN=Cc1cc(Br)c(O)c(Br)c1O 1084043598 AGXVZWWYGRAERF-UHFFFAOYSA-N 496.119 2.427 50 10 JEGE O=C(C[C@@H]1CCS(=O)(=O)C1)NNC(=O)c1c[nH]c2cc(Br)c(Br)cc12 1087992030 ZSIWCNVYPBOVNI-QMMMGPOBSA-N 493.177 2.279 50 10 JEGE CC(=O)c1ccc(S(=O)(=O)CC(=O)NNC(=O)c2cccc(Br)c2)cc1F 1630318568 JXMDSUCWYBFDBG-UHFFFAOYSA-N 457.277 2.026 50 10 JEGE CCC[C@@H]1C[C@H](C(=O)N[C@H]([C@@H](C)Cl)[C@H]2O[C@H](SC)[C@H](O)[C@H]3OC(C)(C)O[C@@H]23)N(C)C1 1848432656 HCPHMGDEJJICGS-WWFQNVGZSA-N 465.056 2.188 50 10 JEGE CC(C)Oc1ccc(S(=O)(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1860770586 OLHYUXVSIKDLHC-CQSZACIVSA-N 490.607 2.380 50 10 JEGE COc1ccccc1CCC(=O)NNC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@H](C)C3 1865851916 KKZKDVGEPNPAOJ-AWEZNQCLSA-N 454.552 2.372 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2C[C@H]2[C@H]1CBr 2021751846 LWEWRRPLINNCDN-HVFZGPLGSA-N 459.337 2.056 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2C[C@H](C[C@@H]2Br)C1 2046023900 WFDBAPFYFCVLNV-IECZYAKXSA-N 473.364 2.446 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CBr)C[C@H]1CCCO1 2108230533 JRTQESKJWSWBEZ-KSMMKXTCSA-N 491.379 2.263 50 10 JEGE O=C(NC[C@]12CC[C@@H]1CCCN2S(=O)(=O)N1CCC(Br)CC1)C(F)(F)F 2163058884 OMVZMWBWKKFXAH-SMDDNHRTSA-N 462.332 2.014 50 10 JEGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1cccc(B(O)O)c1 2248402512 XXBVEAXWXFUFIX-KRWDZBQOSA-N 458.323 2.252 50 10 JEGE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H](C)c1cscc1B(O)O 2268656342 WEXQOSFUXXRHHO-FTRWYGJKSA-N 476.404 2.446 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NC[C@@H]1COC[C@@H]1Br 2316825000 AXLAIKWIDGPRMB-PBHICJAKSA-N 473.389 2.172 50 10 JEGE OB(O)c1cc(Br)cnc1Nc1cc(F)c(F)cc1I 2379834217 DNPJMMBZAGVFAJ-UHFFFAOYSA-N 454.805 2.150 50 10 JEGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)NCCN4CCOCC4)c(C)c32)c1 40822123 NIOCWHAOIMKABY-LGUFXXKBSA-N 454.527 2.129 50 10 JEGE O=C(CC[C@H](O)c1ccccc1)N/N=C/[C@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O 103779799 UGPUPONUHBMYRJ-GOVKSTLWSA-N 458.927 2.320 50 10 JEGE CCOC(=O)COc1ccc(C=NNC(=O)CNC(=O)COc2ccc3c(c2)CCCC3)cc1 252613500 JCKOTDWVSNTXHL-UHFFFAOYSA-N 467.522 2.153 50 10 JEGE CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)O[C@H](C)C2 730514230 FBNPZHYSVIACLK-DIOULYMOSA-N 493.969 2.274 50 10 JEGE C=CCOc1ccc(Br)c(C=NNC(=O)CNS(=O)(=O)c2ccccc2)c1 1084351048 RBVIWTREYKPJSY-UHFFFAOYSA-N 452.330 2.443 50 10 JEGE COc1cc2[nH]c(C(=O)O)c(/C=N/NC(=O)CCc3nc4ccccc4[nH]c3=O)c2cc1OC 1873496129 DRFBBVOBIXCSGA-BHGWPJFGSA-N 463.450 2.203 50 10 JEGE O=S1(=O)CC[C@H](CC(CBr)(CBr)[C@@H]2CCS(=O)(=O)C2)C1 2148767588 AUDKZRVZITUDAG-GHMZBOCLSA-N 452.230 2.022 50 10 JEGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)N[C@@H]3CCS(=O)(=O)C3)c(Oc3ccc(F)cc3)nc12 2296720226 ANTLQBMMFPNGQF-QGZVFWFLSA-N 482.493 2.145 50 10 JEGE CC[C@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)c1 13630311 BLLBOUODOFXCLR-GOEBONIOSA-N 458.540 2.141 50 10 JEGE C=CCc1cccc(/C=N/Nc2nc(SCC(=O)NNC(=O)c3ccc(F)cc3)n[nH]2)c1O 20923297 DPWJXPFFWQKDQB-FOKLQQMPSA-N 469.502 2.377 50 10 JEGE COC(=O)c1cc(Nc2ncnc(NNC(=O)c3ccccc3OC)c2N)cc(C(=O)OC)c1 40705814 AGDFOUCOTGIOJZ-UHFFFAOYSA-N 466.454 2.141 50 10 JEGE C[C@@H](NC(=O)/C(C#N)=C\N(CCN(C)C)[C@H]1CCS(=O)(=O)C1)c1ccc2c(c1)CCCC2 243162250 JQAGCHOZCCQYIW-JPYJTQIMSA-N 458.628 2.201 50 10 JEGE COc1ccc([C@H](C)N2C[C@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1 1872960577 FFPZQPJODCCFCL-DFQSSKMNSA-N 465.554 2.382 50 10 JEGE COC[C@@](C)(CBr)NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942090445 VPRCOEINBYVAOW-GOSISDBHSA-N 461.378 2.172 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC[C@@H](Br)C1CC1 2000545929 WEOINFLKHPGZJH-CRAIPNDOSA-N 461.353 2.494 50 10 JEGE C[C@H](NC(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)c1cscc1B(O)O 2256682397 YUJLTGAHTKAGLI-DOTOQJQBSA-N 462.377 2.105 50 10 JEGE COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc([N+](=O)[O-])cc1 9696118 AUXIDFQXQXBIHF-UHFFFAOYSA-N 453.274 2.315 50 10 JEGE COc1ccc(OCC(=O)Oc2ccc(/C=C(\C#N)C(=O)N3CCOCC3)cc2OC)cc1 41014002 VYUUMEPYEUSLPC-QGOAFFKASA-N 452.463 2.454 50 10 JEGE Cc1nn(C(C)C)c(C)c1C=NNc1nc(SCC(=O)NNC(=O)c2ccc(F)cc2)n[nH]1 1084521877 KQRZPIXJJXPLOU-UHFFFAOYSA-N 473.538 2.337 50 10 JEGE CC(C)[C@@H](CI)NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 1978675963 HQJIJHKKVXCUBZ-RHSMWYFYSA-N 496.342 2.390 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC([C@H](F)CBr)C1 2001903001 IFMWPWJMZXLQMU-PBHICJAKSA-N 465.316 2.005 50 10 JEGE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)[C@@H](Br)C2CCCC2)[C@H](S(C)(=O)=O)C1 2332175756 PWGBPKFPBUFKCA-MCIONIFRSA-N 453.399 2.089 50 10 JEGE COc1ncc(Br)c(C)c1CO[C@@H]1CS(=O)(=O)C[C@H]1I 2368197892 JPDGVAKEZVTHKH-GHMZBOCLSA-N 476.130 2.278 50 10 JEGE O=C(CCC(=O)NNC(=S)NC(=O)COc1ccc2ccccc2c1)NCc1ccccc1 12502611 ZGBNMMVZCLUXQD-UHFFFAOYSA-N 464.547 2.337 50 10 JEGE Cc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2O)cc1I 13977106 CNFBJVPTJZZDLJ-UHFFFAOYSA-N 455.277 2.255 50 10 JEGE C[C@H](NC(=O)/C(C#N)=C\N(CCN(C)C)[C@H]1CCS(=O)(=O)C1)c1ccc2c(c1)CCCC2 253319322 JQAGCHOZCCQYIW-QABZMDFXSA-N 458.628 2.201 50 10 JEGE CCOC(=O)C1=c2sc(=Cc3ccccc3F)c(=O)n2C(N)=C(C#N)[C@H]1c1ccccc1F 254879359 LGZUZXJNBZLMJX-LJQANCHMSA-N 465.481 2.179 50 10 JEGE CC(C)(C)OC(=O)N[C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)NNC(=O)C(F)(F)F 1923597499 ZGALFLUNQRNTNA-HNNXBMFYSA-N 455.437 2.077 50 10 JEGE C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)c(B(O)O)c1 2256625889 CWNKVEAOEIALAU-KUHUBIRLSA-N 462.739 2.457 50 10 JEGE O=C(Cn1c(O)nc2ccccc2c1=O)NN=Cc1cc(Br)cc(Br)c1O 2328808910 RFJMWFYBPLLWKJ-UHFFFAOYSA-N 496.115 2.483 50 10 JEGE Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)COc1ccc([N+](=O)[O-])cc1 12572688 UNYBLGLVZGZFAZ-UHFFFAOYSA-N 497.327 2.145 50 10 JEGE CCCCOC(=O)c1ccccc1NC(=O)/C(C#N)=C\N(CCOC)[C@@H]1CCS(=O)(=O)C1 217240784 BIFRDHWNCOYVIR-RZPKCTKSSA-N 463.556 2.125 50 10 JEGE O=C(CNC(=O)c1ccccc1)NN=C1C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21 254521350 IZNMZOJOLDJUFR-UHFFFAOYSA-N 456.458 2.212 50 10 JEGE O=C(N[C@@H]1CS(=O)(=O)C[C@H]1Cl)c1ccc(I)c(Br)c1 721573424 RHYGWXFPELYYKJ-PSASIEDQSA-N 478.533 2.188 50 10 JEGE O=C(Cn1ncc2ccccc21)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 730517387 VRSKTRQQKJXUKD-UHFFFAOYSA-N 452.474 2.256 50 10 JEGE C[C@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)CCC(=O)c4cccs4)c(=O)c23)C1 1860770219 YDDODLKJQCVHMB-LBPRGKRZSA-N 458.565 2.455 50 10 JEGE CC(C)(C)OC(=O)N1C[C@H](C(=O)NCC2CC(Br)C2)S(=O)(=O)C(C)(C)C1 1892657620 KBXNGCPHWVBVNS-WXRRBKDZSA-N 453.399 2.089 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@H]2[C@H](Br)CCC[C@H]2C1 1945730245 GWEJLJRQLMLPNV-IAOVAPTHSA-N 455.374 2.498 50 10 JEGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@@H](F)C1(O)CN(C(=O)OC(C)(C)C)C1 2022831871 YLOHBZUTLSXTIS-CYBMUJFWSA-N 483.628 2.329 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC1(CBr)CCOCC1 2108226944 BTXJZRJRUVZJCB-SFHVURJKSA-N 491.379 2.122 50 10 JEGE CC(C)(C)OC(=O)N1CCC[C@H](N2CCN(CCOCCI)CC2)C1 2326641386 LBEYXOACKGSEMO-INIZCTEOSA-N 467.392 2.455 50 10 JEGE CN(CC(=O)NNC(=O)c1ccc(Br)cc1)S(=O)(=O)/C=C\c1ccccc1 96841073 ILGXDYNTMMLLKU-QXMHVHEDSA-N 452.330 2.143 50 10 JEGE O=C(NN=Cc1cc([N+](=O)[O-])c(N2CCOCC2)cc1N1CCOCC1)Nc1ccccc1 254898201 PJJAJUWUESTMIN-UHFFFAOYSA-N 454.487 2.424 50 10 JEGE CC(=O)O[C@@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 616590433 RDLYSPHPIQHWLE-NTZUZEMLSA-N 462.568 2.091 50 10 JEGE CC(=NNC(=O)c1cc(Br)cn1C)c1ccc(S(=O)(=O)NCCCN(C)C)cc1 917544546 IOXBEDFKVZNJHZ-UHFFFAOYSA-N 484.420 2.172 50 10 JEGE COc1ccc(OCC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1865851531 DNEFYOKSSVZNTN-KBPBESRZSA-N 470.551 2.379 50 10 JEGE CN(CC1CC(Br)C1)C(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)OC(C)(C)C 1887830142 STNWSWUKOFDCQS-JXQTWKCFSA-N 453.399 2.043 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC1(CBr)CCC1 2000543481 MQMNRXBPYNSDBO-KRWDZBQOSA-N 461.353 2.495 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC1CC([C@@H](F)CBr)C1 2078359942 FXYQGBMWMADTKC-XDUNDIGWSA-N 479.343 2.442 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](CCl)OC2(CCC2)C1 2165766843 PZBONYADMJVTCO-KUHUBIRLSA-N 458.939 2.203 50 10 JEGE Cc1ccc(C(=O)N2CCN(CCBr)C(=O)C2)cc1I 2232831503 RZJPUQIXVLGJNV-UHFFFAOYSA-N 451.102 2.279 50 10 JEGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccnc(B(O)O)c1 2248414513 LBQIOSIIFUVKFS-QHCPKHFHSA-N 459.311 2.263 50 10 JEGE C[C@H](NC(=O)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21)c1nscc1B(O)O 2248897615 VBXRBLRLUCIOSH-AWEZNQCLSA-N 479.367 2.317 50 10 JEGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)Nc1ccc(F)c(F)c1B(O)O 2268706354 KPCVMVUXHMDXHZ-OAHLLOKOSA-N 464.274 2.083 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@H]2CC(Br)C[C@@H](C2)C1 2301124371 MVHNAKNEBWBLOY-ZIAGYGMSSA-N 455.374 2.498 50 10 JEGE CCOC(=O)c1ccccc1NC(=O)C(C#N)=CN1CCN(S(=O)(=O)c2ccccc2)CC1 2324434491 WQPZUPFCCFRTHU-UHFFFAOYSA-N 468.535 2.216 50 10 JEGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)NC3CCCCC3)c(N3CCC(C(N)=O)CC3)nc12 34736710 ZYXOVAIDRLUXLV-JXAWBTAJSA-N 462.554 2.061 50 10 JEGE CC1=N[C@]2(/C(C)=N/NC(N)=O)[C@@H](C[C@H]3[C@@H]4CCC5=C/C(=N/NC(N)=O)C=C[C@]5(C)[C@H]4C(=O)C[C@@]32C)O1 77286369 OFEHTJTYDSSXJI-ZPUHPNKKSA-N 495.584 2.139 50 10 JEGE in-vitro COc1cccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CSc2ccccc2)c1OC 254790913 JICHSDVWIWTRCX-UHFFFAOYSA-N 480.510 2.306 50 10 JEGE C#CCSCC(=O)NNc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1[N+](=O)[O-] 1135435718 QNWBASXUXTVDAR-UHFFFAOYSA-N 450.498 2.214 50 10 JEGE CC(C)(C)OC(=O)N1CCSC[C@H](NS(=O)(=O)N2CCC(Br)CC2)C1 2044261944 JVGFKBAZIVXVNO-CYBMUJFWSA-N 458.444 2.033 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@]1(CBr)CCCOC1 2108227706 JTIKTRGAWNETRD-OALUTQOASA-N 491.379 2.122 50 10 JEGE COC(=O)c1ncsc1S(=O)(=O)NCCSSCCNC(=O)OC(C)(C)C 2181750952 PFVBAQFCXNEOOI-UHFFFAOYSA-N 457.621 2.114 50 10 JEGE CCCn1cc(B(O)O)cc1C(=O)NCCCONC(=O)OCC1c2ccccc2-c2ccccc21 2267329911 DSQOOBQDHSLLNF-UHFFFAOYSA-N 491.353 2.168 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H]2[C@H](CCl)CO[C@H]2C1 2364212827 ARUVFTBCNPNXPM-LZQZEXGQSA-N 454.976 2.358 50 10 JEGE COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CBr)CC3 17061096 JPMVHEYIIWDGRN-OAQYLSRUSA-N 461.264 2.066 50 10 JEGE O=C(CCC(=O)NNc1nc2ccccc2c2nc(-c3ccccc3)nn12)NC[C@H]1CCCO1 20286917 XXTPCCXOGUVNJS-QGZVFWFLSA-N 459.510 2.463 50 10 JEGE CC(=NNC(=O)[C@@H](C)Nc1nc2ccccc2s1)c1ccc(S(=O)(=O)N2CCNCC2)cc1 730584254 RNRRASXWDJXXJF-MRXNPFEDSA-N 486.623 2.231 50 10 JEGE C#CC[C@@]1(C(=O)NNC(=O)CCCNC(=O)OC(C)(C)C)CCCN1C(=O)OC(C)(C)C 1137974214 BVRUBTFXJFJFNA-QFIPXVFZSA-N 452.552 2.232 50 10 JEGE CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCSS(C)(=O)=O)cc2)cc1 1644278983 ZDHYYAZVYUXDSS-UHFFFAOYSA-N 456.567 2.113 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H](Br)C[C@@]2(CCCO2)C1 1924300170 XRFRXYWIDHYDLX-QRWLVFNGSA-N 485.400 2.411 50 10 JEGE COC[C@](C)(CBr)N(C)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1942100149 ZRHSWXXDVQKZSD-SFHVURJKSA-N 461.378 2.124 50 10 JEGE CC(C)(C)OC(=O)N1CCC[C@@]12CC[S@](=O)(=NS(=O)(=O)CI)C2 1983327070 IENNRJLARWDXSA-WHEQGISXSA-N 478.374 2.350 50 10 JEGE CC1(C)[C@H](CBr)OCCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2041648792 WKMUDISMUACHHK-INIZCTEOSA-N 473.389 2.267 50 10 JEGE CS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2cc(CBr)sc2Br)C1 2179914012 MMNFBILVXMVDIR-MRVPVSSYSA-N 467.226 2.213 50 10 JEGE Cc1ccc(C(=O)NCCCONC(=O)OCC2c3ccccc3-c3ccccc32)c(B(O)O)c1 2255734728 GLXOTBOWUYBLKI-UHFFFAOYSA-N 474.322 2.265 50 10 JEGE Cc1sc(C(=O)NCC2(N(Cc3ccccc3)Cc3ccccc3)COC2)c(B(O)O)c1C 2267457283 NPIJUWUPGYRTLB-UHFFFAOYSA-N 464.396 2.246 50 10 JEGE Cc1cc(CNC(=O)[C@@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)sc1B(O)O 2283990408 DEWZSDNUALFZFU-DEOSSOPVSA-N 488.415 2.197 50 10 JEGE CCCCOC(=O)c1ccccc1NC(=O)C(C#N)=CN(CCOC)[C@@H]1CCS(=O)(=O)C1 2325309616 BIFRDHWNCOYVIR-GOSISDBHSA-N 463.556 2.125 50 10 JEGE CC(=O)N1c2ccc(S(=O)(=O)NNC(=O)c3ccccc3Br)cc2C[C@@H]1C 28678422 BQPIZKWUXYDOFR-NSHDSACASA-N 452.330 2.370 50 10 JEGE CN(C)c1ccc(C(=O)NN=C2C(=O)N(CN3CCOCC3)c3ccc(Br)cc32)cc1 254315664 CFHHWFMOXJWSHQ-UHFFFAOYSA-N 486.370 2.286 50 10 JEGE CN([C@@H]1CCN(C(=O)OCc2ccccc2)C1)S(=O)(=O)N1CCC(Br)CC1 1999489620 GVZCMDDRJGLQOM-QGZVFWFLSA-N 460.394 2.433 50 10 JEGE O=S(=O)([C@H](CBr)C1CC1)N1CC[C@H](N2CCN(Cc3ccccc3)CC2)C1 2179831178 UHOGFBDPWVDOIK-VQTJNVASSA-N 456.450 2.382 50 10 JEGE O=C(/C=C/c1ccco1)NCC(=O)NN=C1C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21 254620590 TWDHEHMFFVJRSF-DRXDUVBQSA-N 472.457 2.205 50 10 JEGE C#CC[C@@]1(C(=O)NNc2ccccc2S(=O)(=O)N(C)C)CCCN1C(=O)OC(C)(C)C 1625669058 ZTYOERSCGVKLTB-NRFANRHFSA-N 450.561 2.173 50 10 JEGE CC(=O)c1ccc(S(=O)(=O)CC(=O)NNC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1F 1634393290 SCPOKSSDDJYWQR-LBPRGKRZSA-N 456.879 2.070 50 10 JEGE CC(C)(C)OC(=O)NCC1CC(F)(CNS(=O)(=O)N2CCC(Br)CC2)C1 2115646536 ZYBPDAZPJRDRNQ-UHFFFAOYSA-N 458.394 2.323 50 10 JEGE N#CC(=CNCCc1ccc(S(N)(=O)=O)cc1)C(=O)N1CCC(Cc2ccccc2)CC1 2324765402 WJZIFSRDDWMUKI-UHFFFAOYSA-N 452.580 2.355 50 10 JEGE Cc1ccc(S(=O)(=O)N2CCN(C=C(C#N)C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)cc1 2325235350 BYQYWSIVIURQSL-UHFFFAOYSA-N 455.496 2.256 50 10 JEGE C[C@H](Cl)CN1CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CC1 2364204960 IFGIWAOWPUHWRY-KRWDZBQOSA-N 456.008 2.418 50 10 JEGE O=C(COc1ccc(Br)cc1)NNC(=S)NC(=O)c1ccc([N+](=O)[O-])cc1 12501136 ALWSUEGGINNEFQ-UHFFFAOYSA-N 453.274 2.072 50 10 JEGE O=C(NNC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)c1cccc2cccnc12 730540361 PLUOOQSZUVFDTF-LJQANCHMSA-N 452.536 2.238 50 10 JEGE CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)NCC(F)(F)F)cc2)cc1 1155951299 UCKWOYDGZKDYEA-UHFFFAOYSA-N 458.418 2.196 50 10 JEGE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1sc(Cl)cc1B(O)O 2320674662 JNUMOSFKTCXGIQ-UGSOOPFHSA-N 482.795 2.196 50 10 JEGE O=C(NNC(=O)c1c[nH]c2ccc(Cl)cc2c1=O)c1cccc(S(=O)(=O)N2CCCC2)c1 32605266 TVMNLPPVAORIHB-UHFFFAOYSA-N 474.926 2.041 50 10 JEGE C[C@H](Sc1n[nH]c(N/N=C/c2cccc(Br)c2)n1)C(=O)NNC(=O)C1CCC1 59878466 RJPDOZIJAIIYHK-XPAGJJBOSA-N 466.365 2.441 50 10 JEGE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNc3ccc(Cl)cc3C)c2)CC1 1455591562 VVHBZDBRMGPTRD-UHFFFAOYSA-N 450.948 2.258 50 10 JEGE COC(=O)c1ccccc1NC(=S)NNC(=O)C1CCN(C(=S)N[C@@H]2C[C@H]3C=C[C@H]2C3)CC1 1615950680 YWVCPNGEWNVWBD-URLQWDBASA-N 487.651 2.342 50 10 JEGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(Cc3ccc(Cl)cc3)C2)C1 1872963158 ZLJCAEOYYJNANR-ROUUACIJSA-N 455.946 2.465 50 10 JEGE Cc1c(B(O)O)cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc1C(=O)O 1887519085 LVWHFBVOUXOIOH-UHFFFAOYSA-N 486.333 2.444 50 10 JEGE CC(N)=C(C#N)C(=O)CSc1nc2ccccc2c(=O)n1-c1cc(S(=O)(=O)N(C)C)ccc1C 2042438519 RXUYVANREPXSAX-UHFFFAOYSA-N 497.602 2.362 50 10 JEGE COC[C@](C)(CBr)N(C)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2046024757 CXAUAILJQDZEDM-ROUUACIJSA-N 479.368 2.072 50 10 JEGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ncc(B(O)O)s1 2248395928 SLEVXDBUMGHHHS-QFIPXVFZSA-N 479.367 2.002 50 10 JEGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ncc(B(O)O)s1 2248402140 SLEVXDBUMGHHHS-JOCHJYFZSA-N 479.367 2.002 50 10 JEGE C[C@H](NC(=O)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1)c1cc(B(O)O)cs1 2268792977 HTVSXJIAXUXOSN-INIZCTEOSA-N 474.388 2.059 50 10 JEGE CO[C@@H]1CC(=O)[C@]23C(=O)N[C@H](CC(C)C)[C@@H]2C(C)=C(C)[C@H](OO)[C@@H]3C=C(C)CC[C@H](O)[C@@H]1O 585660692 FCNYTFYALYEECS-GKWLGAIKSA-N 465.587 2.394 50 10 JEGE biogenic COC[C@@](C)(CBr)N(C)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 689243547 OHZFSPGKLYMBGC-LJQANCHMSA-N 475.405 2.370 50 10 JEGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)CBr)CCN1C(=O)OC(C)(C)C 1309960787 UJIYFKPROOVJBG-UHFFFAOYSA-N 458.375 2.373 50 10 JEGE CC(=O)N1CCN(c2cccc(NC(=O)NNC(=O)CSc3ccccc3O)c2C)C1=O 1662528228 HOBIHFVQMUUVEN-UHFFFAOYSA-N 457.512 2.434 50 10 JEGE CCOc1cc(C=NNC(=O)CCCNC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1O 1772719762 TZGCUUAFPITGCU-UHFFFAOYSA-N 459.499 2.477 50 10 JEGE Cc1cc(B(O)O)c(CN(C)C(=O)C2(COCc3ccccc3)CN(C(=O)OC(C)(C)C)C2)s1 2284143544 QJTLJIZZIOSWCE-UHFFFAOYSA-N 488.415 2.149 50 10 JEGE Cc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)c1 2296625807 OHKWIGVGRHPAFL-GOSISDBHSA-N 478.530 2.314 50 10 JEGE CN1CCC(CBr)(NS(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)CC1 2352950265 QALHWNBXYQDNAT-UHFFFAOYSA-N 486.432 2.088 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1C[C@@H]2[C@@H](CCl)CO[C@H]2C1 2364212825 ARUVFTBCNPNXPM-IPELMVKDSA-N 454.976 2.358 50 10 JEGE O=C(NNC(=O)N1CCC(Oc2ccc(F)cc2F)CC1)C1CCN(c2ncccn2)CC1 728961485 IWYBHWKVGHVRHE-UHFFFAOYSA-N 460.485 2.255 50 10 JEGE N#C/C(=C\c1ccc[nH]1)C(=O)NNC(=S)NC(=O)/C=C\c1ccc(Br)s1 1088721001 RFPXTCUUDQDVNO-YUFRWXHNSA-N 450.343 2.481 50 10 JEGE CC(=O)Oc1ccc(C[C@@H](NC(=O)CCS(C)(=O)=O)C(=O)Nc2ccc(SC#N)cc2)cc1 1867023252 XWIQUWFECLTZLM-HXUWFJFHSA-N 489.575 2.286 50 10 JEGE C[C@@H]1Cn2nc(NS(=O)(=O)CI)cc2CN1C(=O)OC(C)(C)C 1983328087 TXMCLAQKVYGPAY-SECBINFHSA-N 456.306 2.157 50 10 JEGE CN(C)C[C@@H](Br)CN(C)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2029212626 LIBZDGOCVCJSMY-OAHLLOKOSA-N 474.421 2.040 50 10 JEGE CO[C@@H]1CN(S(=O)(=O)N2CCC(Br)CC2)[C@@](C)(CNC(=O)OC(C)(C)C)C1 2163049666 BJMSXAJZKMDKLV-WMLDXEAASA-N 470.430 2.095 50 10 JEGE COc1cc(B(O)O)c(C(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)cc1OC 2281835853 WSVNBDJZNDEQOI-UHFFFAOYSA-N 462.355 2.158 50 10 JEGE O=C(/C=C\c1ccc(S(=O)(=O)N2CCOCC2)cc1)NNc1c(F)c(F)cc(F)c1F 34868376 QOOUUDFHNTXFKU-UTCJRWHESA-N 459.421 2.420 50 10 JEGE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNc3cccc(F)c3Cl)c2)CC1 1148406346 PMNIPRZLOSTHOC-UHFFFAOYSA-N 454.911 2.089 50 10 JEGE COc1ccc(/C=C(\C#N)C(=O)Nc2cccc3c2CN([C@H]2CCC(=O)NC2=O)C3=O)cc1OC 1866130172 FIIXQRDYOSTEET-XATQLNLPSA-N 474.473 2.010 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@@H]2[C@H](CBr)[C@@H]2C1 1944583812 RQQSRXPOGOFEBJ-XOKHGSTOSA-N 455.374 2.355 50 10 JEGE CC(C)(C)OC(=O)N1CCC[C@]12CC[S@](=O)(=NS(=O)(=O)CI)C2 1983327069 IENNRJLARWDXSA-MCMMXHMISA-N 478.374 2.350 50 10 JEGE CC1(C)OC[C@H](NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)[C@@H]1Br 2078732821 JQICTOIHQIMERC-HOTGVXAUSA-N 473.389 2.313 50 10 JEGE CC(C)(C)OC(=O)NC1(C(=O)Nc2ccc(B(O)O)c(F)c2)CCN(Cc2ccccc2)CC1 2284054491 DBAMUBLHVZMQOE-UHFFFAOYSA-N 471.338 2.004 50 10 JEGE N#CC(=CN1CCN(Cc2ccc3c(c2)OCO3)CC1)C(=O)N1CCN(Cc2ccccc2)CC1 2325449352 RRQZJXHKSREHKQ-UHFFFAOYSA-N 473.577 2.285 50 10 JEGE COc1ccc(Br)cc1/C=N/Nc1nc(S[C@@H](C)C(=O)NNC(=O)C2CCC2)n[nH]1 59880761 OCRAHQQEEURTIC-YPZZKDGISA-N 496.391 2.450 50 10 JEGE N#C/C(=C\N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(F)cc1)C(=O)NCc1ccco1 254554928 KAUAVNXJOQEGNM-HSSAVXPJSA-N 474.539 2.213 50 10 JEGE CSc1ccc(C=c2sc3n(c2=O)C(N)=C(C#N)[C@H](c2ccc(SC)cc2)C=3C(N)=O)cc1 254824294 AHCLXUFESBXHAI-IBGZPJMESA-N 492.651 2.267 50 10 JEGE CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)c1 726072815 NRWAEMMYZQKEJB-UHFFFAOYSA-N 488.610 2.146 50 10 JEGE Cc1nn(CCO)c(C)c1C=NNC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 1083913685 VBSJCEFOKITKNC-UHFFFAOYSA-N 476.566 2.377 50 10 JEGE O=C(NNC(=O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O)c1ccc(Br)cc1 1251693333 CVUAROVJYVRXTG-OAHLLOKOSA-N 460.284 2.034 50 10 JEGE CC[C@H](C)[C@@H](CI)NS(=O)(=O)c1c(Br)cnn1C 2081240277 GAFABMWAVFQFBH-IONNQARKSA-N 450.140 2.311 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1[C@H](CBr)C[C@H]2OCC[C@@H]21 2090542621 RDTMYKJWHMEEJQ-JCGIZDLHSA-N 485.400 2.409 50 10 JEGE CN(Cc1ccc(B(O)O)cc1)C(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21 2248888641 OSTHNFDVZBSPJU-UHFFFAOYSA-N 458.323 2.254 50 10 JEGE CC(C)(C)OC(=O)N1CC(N(OCc2ccccc2)C(=O)c2cc(F)c(B(O)O)cc2Cl)C1 2267812633 DRPSEOSSMVDIQR-UHFFFAOYSA-N 478.713 2.352 50 10 JEGE CCOC(=O)N1CCN(c2ncnc(NNC(=O)c3ccccc3Br)c2[N+](=O)[O-])CC1 40658399 OEEQGOHAYRBWBR-UHFFFAOYSA-N 494.306 2.183 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CBr)C[C@@H]1CCOC1 1883275377 SNOKSIOBTWUUIZ-NJSLBKSFSA-N 491.379 2.120 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H]2[C@@H](CBr)[C@@H]2C1 1943069037 VSPOIBCKEMWBRI-OSYLJGHBSA-N 455.374 2.355 50 10 JEGE C[C@@H]1CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C[C@@H](CCBr)O1 2058882088 HSZSOOOJIWUVJN-HUUCEWRRSA-N 473.389 2.267 50 10 JEGE Cc1cc(B(O)O)c(CN(C)C(=O)CNC(=O)OCC2c3ccccc3-c3ccccc32)s1 2243684661 DWPWYWHDGQYEEA-UHFFFAOYSA-N 464.352 2.233 50 10 JEGE CC(C)(C)OC(=O)Nc1cc(I)cc(C(=O)N2CC[C@H](B(O)O)C2)c1 2319671314 KFVYXSMLPCNPIK-NSHDSACASA-N 460.077 2.327 50 10 JEGE O=C(NCCS(=O)(=O)CCCl)c1cc(Br)ccc1I 2335768027 UGYPRPDTTZHGDW-UHFFFAOYSA-N 480.549 2.437 50 10 JEGE OB(O)c1cc(Sc2cc(I)ccc2Br)ncc1F 2343923597 DYDYRBNZWHIEEU-UHFFFAOYSA-N 453.867 2.419 50 10 JEGE CC(C)C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)CCC(=O)OCCc2ccccc2)cc1 14011543 LYNMEFOQKUHDDC-UHFFFAOYSA-N 484.578 2.483 50 10 JEGE CCOc1ccc(C=NNC(=O)CC(=O)NN=Cc2ccc(OCC)c(OC)c2)cc1OC 254446281 ZIAJQRWBYATAGE-UHFFFAOYSA-N 456.499 2.492 50 10 JEGE COc1ccc(C=NNC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)cc1Br 1084163535 QEQBDEQPSNQISG-UHFFFAOYSA-N 464.316 2.284 50 10 JEGE COc1ccccc1OCC(=O)NNC(=O)[C@@H](C)n1cnc2sc3c(c2c1=O)CC[C@H](C)C3 1860772486 ZXWPDRGPJUGZTR-UONOGXRCSA-N 470.551 2.379 50 10 JEGE Cc1nc(I)c(I)n1CCCCCCC(=O)NN 2316143924 SOQPWCNMWVTPIV-UHFFFAOYSA-N 476.100 2.341 50 10 JEGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)COc2ccc(OC)cc2)c(Br)c1 13978631 RHOLJFAHSONGQW-UHFFFAOYSA-N 496.383 2.500 50 10 JEGE C/C(=N\NC(=O)CSc1nnc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1N)c1ccccc1 58990805 OQQNPGGLMJVDGC-RGVLZGJSSA-N 456.444 2.108 50 10 JEGE CCOc1cccc(-c2c(C(=O)NN=C(C)c3ccc(C#N)cc3)nnn2-c2nonc2N)c1 254629025 APXPTZWPPFETNR-UHFFFAOYSA-N 457.454 2.324 50 10 JEGE COc1ccc(N([C@H](C)C(=O)NN=Cc2cc3c(cc2Br)OCO3)S(C)(=O)=O)cc1 1084387860 UOGMUQSVGVPHEX-GFCCVEGCSA-N 498.355 2.491 50 10 JEGE NNC(=O)COc1cccnc1NC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 1858813473 LXMOWNGMGWSUBA-UHFFFAOYSA-N 460.538 2.389 50 10 JEGE COC[C@@](C)(CBr)CNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1926968895 WACSRXWNHARKPM-IBGZPJMESA-N 475.405 2.276 50 10 JEGE CC(C)(C)OC(=O)NC[C@]1(F)C[C@@H](CNS(=O)(=O)N2CCC(Br)CC2)C1 2111941244 OUJYSHUJZSVZMV-DRQUAOQDSA-N 458.394 2.323 50 10 JEGE CN(C)CCN(CCBr)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338850572 TYDLMWKXGKYCGZ-UHFFFAOYSA-N 488.448 2.431 50 10 JEGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 13623495 LXQMBWKPJIUCNJ-LJQANCHMSA-N 468.579 2.406 50 10 JEGE O=C(N/N=C/c1ccc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)cc1)[C@@H]1COc2ccccc2O1 20533739 XXMKVVMWWGHMMI-LFKPESRWSA-N 486.484 2.267 50 10 JEGE C=CCN1C(=O)c2ccc(C(=O)NNC(=O)[C@H](C)Oc3cccc(Br)c3)cc2C1=O 26634720 HJHDKJXSNJPZJF-LBPRGKRZSA-N 472.295 2.460 50 10 JEGE CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2ccccn2c1C(=O)NN/C=C1\C=CC=CC1=O 137910450 YOVFRDGTDFAWDA-FOCLMDBBSA-N 491.591 2.120 50 10 JEGE O=C(NNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1c(Cl)cccc1Cl 727796064 DTNOWMJNBJPHSH-UHFFFAOYSA-N 478.379 2.401 50 10 JEGE Cc1cc(=O)c2nncn2n1CC(=O)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 1084487338 ZCZVDFONKQMKNF-UHFFFAOYSA-N 455.818 2.171 50 10 JEGE COc1ccc(/C=C/C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1OC 1860769869 JZLMDKWEPZYUEZ-VIIAAUOXSA-N 482.562 2.461 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2C[C@@H](Br)C[C@H]2C1 2065403924 QWBSJBQXUQPITD-LJPSSGMGSA-N 473.364 2.446 50 10 JEGE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)N2CCC(Br)CC2)C[C@H]1C(F)(F)F 2163050417 JQERSRNSMPRZHH-VXGBXAGGSA-N 480.347 2.478 50 10 JEGE CCc1cc(B(O)O)ccc1NC(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2268709993 GBUIHQXRXDPTNZ-HXUWFJFHSA-N 456.348 2.368 50 10 JEGE CC(C)(CI)CN1CCN(C(=O)OC(C)(C)C)[C@@H]2CS(=O)(=O)C[C@@H]21 2306817693 BXNUEYKYPQRNAF-QWHCGFSZSA-N 472.389 2.166 50 10 JEGE CCOC(=O)NC(=O)[C@@H](C#N)/C=N/NC(=O)CCCNc1ncc(C(F)(F)F)cc1Cl 35132668 XGCWYTFKZZLQJM-HPANITRDSA-N 462.816 2.460 50 10 JEGE COCCNC(=O)Cn1cc(/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)c2cc(Br)ccc21 59087159 YGRIZWLQWFFEQZ-YHTSIIMFSA-N 489.370 2.369 50 10 JEGE CC(C)CCNC(=O)/C(C#N)=C\N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2c(c1)OCO2 254757469 SAVPTONVMVDEKY-JGCOYUQKSA-N 476.580 2.060 50 10 JEGE COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)Cc2cccc(O)c2)c1 725879419 GYCZLLPWKGICQG-UHFFFAOYSA-N 455.492 2.205 50 10 JEGE CCc1cc2c(=O)n(CC(=O)N/N=C\c3ccc(OCC(=O)N(CC)CC)cc3)cnc2s1 1860773212 SJFWKZPEODUKPP-ROTLSHHCSA-N 469.567 2.418 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1CCC[C@H]1CBr 2000539415 AKASPBQPXZPZQL-QITLCBANSA-N 461.353 2.494 50 10 JEGE C[C@@H](Sc1nnc(O)nc1O)C(=O)NN=Cc1ccc(OC(=O)c2ccc(F)cc2)cc1 2323160912 SIWQHJOAVUXHAW-LLVKDONJSA-N 457.443 2.272 50 10 JEGE CC(C)(C)OC(=O)NC1(CC(=O)N2CC[C@](C)(B(O)O)C2)CCN(Cc2ccccc2)CC1 2342478554 XINCDPPRSXYETR-QHCPKHFHSA-N 459.396 2.401 50 10 JEGE Cc1ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)c(F)c1B(O)O 2352964519 IYYQVAAFMGKLEI-MGPUTAFESA-N 460.311 2.251 50 10 JEGE COc1cc(C=NNC(=O)C2CCN(C[C@@H](O)COCc3ccccc3)CC2)cc(OC)c1OC 13136995 XUUJANTVMAANDI-JOCHJYFZSA-N 485.581 2.452 50 10 JEGE CCN(CC)S(=O)(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccccn3)c2[N+](=O)[O-])cc1 40628049 BJZFUOHRLINJGE-UHFFFAOYSA-N 486.514 2.311 50 10 JEGE COCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)CCCN2C(=O)c3ccccc3C2=O)c(OC)c1 206490391 QFFNFERNDRVGKN-JXAWBTAJSA-N 491.500 2.347 50 10 JEGE Nn1c(NN=Cc2cccc3ccccc23)nnc1SCC(=O)NNC(=O)c1ccc(F)cc1 1084144755 JRXAQJLAAUQOSZ-UHFFFAOYSA-N 478.513 2.284 50 10 JEGE O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)NNS(=O)(=O)c1ccc(F)cc1 1860770464 JOCCNDSCBGCBGW-UHFFFAOYSA-N 458.496 2.274 50 10 JEGE CCc1cc2c(=O)n(CC(=O)NNC(=O)[C@H]3CC(=O)N(c4c(C)cccc4CC)C3)cnc2s1 1865845495 SYWQAGDTFALNCU-INIZCTEOSA-N 481.578 2.092 50 10 JEGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)C1 1872960785 GAGPABMFUORNSR-QZTJIDSGSA-N 455.946 2.465 50 10 JEGE CN(C[C@@H](Br)C1CC1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000531746 DPBNXAPDOQGWES-QAPCUYQASA-N 461.353 2.446 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCOC[C@@H](CBr)C1 2036939573 RYDNDNCGWIEOET-HNNXBMFYSA-N 473.389 2.126 50 10 JEGE COc1ccc(COC(=O)NCCOCCOCCOCCOCCBr)cc1 2060003596 PCDFIGVFIPQJNQ-UHFFFAOYSA-N 464.353 2.383 50 10 JEGE Cn1cc(S(=O)(=O)N[C@@H](CNC(=O)OCc2ccccc2)C(F)(F)F)c(CCl)n1 2123415248 CQJLJMPITQGIDC-AWEZNQCLSA-N 454.858 2.295 50 10 JEGE CC(C)(C)OC(=O)NC[C@@](C)(CI)O[C@H]1CCCN(S(C)(=O)=O)C1 2249191026 VMBPRIPDEFZZPP-SWLSCSKDSA-N 476.377 2.145 50 10 JEGE O=S(=O)(c1cncc(CBr)c1)N1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2283089214 BTYHCUDVEDFXOI-RTBURBONSA-N 452.374 2.250 50 10 JEGE Cc1ccc(NC(=O)C2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)c(B(O)O)c1 2283958201 WSBPIMDHVMTLAI-UHFFFAOYSA-N 467.375 2.173 50 10 JEGE CCCCOC(=O)c1ccccc1NC(=O)C(C#N)=CN(CCOC)[C@H]1CCS(=O)(=O)C1 2325309617 BIFRDHWNCOYVIR-SFHVURJKSA-N 463.556 2.125 50 10 JEGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 13979028 WKDZZIAHDQOHBZ-UHFFFAOYSA-N 488.482 2.437 50 10 JEGE COc1cccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CSc2ccccc2)c1 254347046 DVNATCLGWOAMSI-UHFFFAOYSA-N 450.484 2.297 50 10 JEGE O=S(=O)(N[C@H]1CN(Cc2ccccc2)C[C@@H]1C(F)F)N1CCC(Br)CC1 1878728059 WJVDNZQCHOUTPO-HOTGVXAUSA-N 452.365 2.446 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC12CC(CBr)(C1)C2 2000538378 GTFJIUPJOKORSM-AOCRQIFASA-N 459.337 2.248 50 10 JEGE CO[C@H](CCBr)CNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2002977744 BKXHZIOFMMPFBL-CYBMUJFWSA-N 461.378 2.028 50 10 JEGE COc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1Br 12572565 OOJDLMPJKDKSGS-UHFFFAOYSA-N 483.300 2.080 50 10 JEGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)COc2ccccc2)c(Br)c1 13978556 UPQAZXVUVOGFCG-UHFFFAOYSA-N 466.357 2.491 50 10 JEGE CCOC(=O)c1c2c(n(C)c1CN(C)C)C(=O)/C(=N/NC(N)=O)c1ccc(Br)cc1-2 100640914 BLKLDLGNKQQCBX-XQNSMLJCSA-N 476.331 2.262 50 10 JEGE CCOc1ccc([C@@H](O)CCC(=O)NN=C[C@@H]2C(=O)NC(=S)N(c3ccccc3)C2=O)cc1 1084342541 UYQFDOPHVWJQPL-MOPGFXCFSA-N 468.535 2.065 50 10 JEGE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)N2CCC(Br)CC2)[C@H]2CCC[C@H]21 2106298121 JVEDUKGXKSVSLZ-QLFBSQMISA-N 452.415 2.468 50 10 JEGE CC(C)(C)OC(=O)NC1CC(C[S@@](C)(=O)=NS(=O)(=O)N2CCC(Br)CC2)C1 2172247295 BCULXOBBONIHTQ-NJZBNNRLSA-N 488.470 2.492 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)Nc2cccc(B(O)O)c2F)C1 2283991610 TWIVPSMLQAYXIG-DEOSSOPVSA-N 472.322 2.288 50 10 JEGE COCCOc1ccc(C=C(C#N)C(=O)N[C@H](Cc2ccc(OC(C)=O)cc2)C(=O)O)cc1 2331117858 TUCAWIFDHTVZRE-JOCHJYFZSA-N 452.463 2.356 50 10 JEGE COc1ccc(OCC(=O)NC(=S)NNC(=O)c2ccc(OC)c(Br)c2)cc1 13978831 ZGCSBFIJCRZWIN-UHFFFAOYSA-N 468.329 2.181 50 10 JEGE COC(=O)c1ccc(/C=N/NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(O)c(OC)c2)cc1 59384256 FVAPRYXHDXZIGR-XLHYMUBZSA-N 454.508 2.131 50 10 JEGE CCCOc1ccc(-c2c(C(=O)NN=Cc3ccc(OC)cc3OC)nnn2-c2nonc2N)cc1 254624961 VOLMHDXZIKGTTN-UHFFFAOYSA-N 492.496 2.469 50 10 JEGE CC(=O)[C@H]1CC(C(=O)NNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)=NN1c1ccccc1 1530291730 MDAYXPQAOZGVRU-LJQANCHMSA-N 457.531 2.005 50 10 JEGE CC[C@@H]1CN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@@H]1Br 2000534499 VYDBMFBZEJHIHI-HNJNHCNJSA-N 461.353 2.446 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCSC[C@H]1CBr 2000538611 HZVFPCMLQTTWBC-SJKOYZFVSA-N 479.393 2.153 50 10 JEGE O=C(NOCCCNC(=O)c1ccc(B(O)O)cc1F)OCC1c2ccccc2-c2ccccc21 2255502537 YTWUFAHNSKKCDL-UHFFFAOYSA-N 478.285 2.096 50 10 JEGE CCCOC(=O)CCC(=O)NC(=S)NNC(=O)COc1ccc(CC)cc1Br 13997531 BMJBJAFBEALZGI-UHFFFAOYSA-N 474.377 2.146 50 10 JEGE Cn1/c(=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)sc2ccccc21 15583019 XTGRDTHOWCUXQU-FLFQWRMESA-N 455.565 2.144 50 10 JEGE CO[C@]1(CBr)CCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 703957909 JDNYFYMONHWAIU-IBGZPJMESA-N 473.389 2.124 50 10 JEGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)NCCCCCCI 703981638 SNMHQCHMSMHSME-UHFFFAOYSA-N 464.325 2.197 50 10 JEGE CC(C)(C)OC(=O)NCCSSCCNS(=O)(=O)CI 1882323708 OJCYEVYQFFONAB-UHFFFAOYSA-N 456.393 2.204 50 10 JEGE O=C(N1CCC[C@@H](C2CCN(S(=O)(=O)CI)CC2)C1)C(F)(F)F 2007707632 IZBSGYBUASVKFR-LLVKDONJSA-N 468.279 2.222 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCc1nnc(CBr)s1 2072476157 LAWZTEWNWUTMET-UHFFFAOYSA-N 487.401 2.175 50 10 JEGE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H](C)c1cc(B(O)O)cs1 2268655199 JABQMBZXQGENKR-FTRWYGJKSA-N 476.404 2.446 50 10 JEGE Nc1cc(C(=O)N/N=C\c2cccc(/C=N/NC(=O)c3cc(N)cc([N+](=O)[O-])c3)c2)cc([N+](=O)[O-])c1 32600966 LZLPMPYIRJRSAN-UIXGLJBASA-N 490.436 2.195 50 10 JEGE Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1NNC(=O)c1ccccn1 40794201 IHZKEHABLUGNOL-UHFFFAOYSA-N 463.285 2.040 50 10 JEGE CC(=O)NNC(=O)[C@@H](C)Sc1n[nH]c(N/N=C/c2ccc(OCc3ccccc3)cc2)n1 59879623 GICXDUVMLXRBCG-LVCXCXRVSA-N 453.528 2.478 50 10 JEGE COc1ccc(N(CC(=O)NN=Cc2cccnc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 1084167743 HVBRXDBIHJGFOR-UHFFFAOYSA-N 499.505 2.353 50 10 JEGE COc1ccc(O)c(C=NNC(=O)CSc2nnc(-c3ccccc3Br)n2N)c1 1084285216 GBBHTPQHKQLCJL-UHFFFAOYSA-N 477.344 2.378 50 10 JEGE C[C@@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)c4ccc(F)c(F)c4F)c(=O)c23)C1 1860770127 UTYVRWOLLUSONT-SECBINFHSA-N 450.442 2.461 50 10 JEGE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@H]1C[C@H]2NS(=O)(=O)N1CCC(Br)CC1 2108246196 VZNPGRBMVFRWEP-MYZSUADSSA-N 452.415 2.372 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCO[C@@H]2C[C@H](CCl)C[C@@H]21 2199766124 RNSDQHNBQUVHFU-UDUZWTERSA-N 458.939 2.059 50 10 JEGE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)Nc2cc(B(O)O)ccc2Cl)C1 2268790135 GIOCPPYKVJSLKS-UHFFFAOYSA-N 474.750 2.412 50 10 JEGE O=C(N[C@@H]1CS(=O)(=O)C[C@H]1Br)c1ccc(Cl)cc1I 2340051735 GVDYABDCPKUOEB-PSASIEDQSA-N 478.533 2.235 50 10 JEGE NNC(=O)[C@@H]1CCC[C@@H](COc2cc(Br)cc(I)c2)O1 2364066735 PALKWDZQLARMID-JQWIXIFHSA-N 455.090 2.360 50 10 JEGE CCOCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2)cc1 9821808 NWYNTWNOJIXEJH-UHFFFAOYSA-N 451.932 2.470 50 10 JEGE Cc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(/C#N)C(=O)N[C@@H]1CCS(=O)(=O)C1 33715461 SAGWAHPXEXDVSY-XUDLPTGHSA-N 478.530 2.314 50 10 JEGE CCOc1cc(/C=N/NC(=O)CNC(=O)c2ccccc2I)ccc1O 48572653 UUTGYFJPMJDHMT-UFFVCSGVSA-N 467.263 2.276 50 10 JEGE O=C(CNS(=O)(=O)/C=C\c1ccccc1)NNC(=O)CSc1cccc2cccnc12 96654266 RHPDAMPNOYFKKZ-QBFSEMIESA-N 456.549 2.065 50 10 JEGE O=C(NN=Cc1c(F)c(F)c(F)c(F)c1F)c1cccc(S(=O)(=O)N2CCOCC2)c1 254353547 YOCZTKMBEOXKIX-UHFFFAOYSA-N 463.384 2.167 50 10 JEGE CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2cn(C)c3ccccc23)cc1Br 729303401 LHVCRVICWFKOPV-UHFFFAOYSA-N 479.356 2.266 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@H]2[C@@H](Br)CCC[C@H]2C1 1945730248 GWEJLJRQLMLPNV-XKQJLSEDSA-N 455.374 2.498 50 10 JEGE CC(C)(C)OC(=O)N[C@H]1c2ccccc2C[C@@H]1NS(=O)(=O)CI 1983328343 WISFHUJSKSSECD-STQMWFEESA-N 452.314 2.489 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC([C@@H](F)CBr)C1 2001903288 KWUHQBMBBFYARB-HNNXBMFYSA-N 461.353 2.303 50 10 JEGE CC(C)(C)OC(=O)NC[C@H]1C[C@H]2CC[C@H]1N2S(=O)(=O)N1CCC(Br)CC1 2117662289 BYKRKEHNFVPHCH-BPLDGKMQSA-N 452.415 2.468 50 10 JEGE COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1C=NNC(=O)CCc1nc2ccccc2[nH]c1=O 2321687262 RMNSZVYPIKTKEC-UHFFFAOYSA-N 477.477 2.291 50 10 JEGE O=C(Cc1ccc([N+](=O)[O-])cc1)NNc1ncnc(Nc2ccc(C(=O)O)cc2)c1[N+](=O)[O-] 40659269 MRJDTJHKKAEMSW-UHFFFAOYSA-N 453.371 2.421 50 10 JEGE COC(=O)C(=O)N[C@@H](CC(C)C)C(=O)NNC(=O)OCC1c2ccccc2-c2ccccc21 165570940 UYJWNPWEPDIPNU-FQEVSTJZSA-N 453.495 2.260 50 10 JEGE O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1Cl)c1cc(Br)ccc1I 236036534 ZTIJBZQYHNYQPM-WCBMZHEXSA-N 478.533 2.188 50 10 JEGE O=C(CNC(=O)c1ccccc1F)NN=C1C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21 254848525 GTPBOQWVOHKVIB-UHFFFAOYSA-N 474.448 2.352 50 10 JEGE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12 1135537995 JUFCTFYXBWZGMY-KRWDZBQOSA-N 455.515 2.045 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](F)[C@H](CBr)C1 2008024254 HCAGIWLTOIACBQ-WHCBVINPSA-N 465.316 2.005 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC(OCCBr)CC1 2108245401 TXELIZHXBHOCKP-IBGZPJMESA-N 491.379 2.217 50 10 JEGE Cc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)c(C)c1 2296625808 OHKWIGVGRHPAFL-SFHVURJKSA-N 478.530 2.314 50 10 JEGE COC1(CBr)CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2316827374 QCUXGAFPLRHEPV-UHFFFAOYSA-N 473.389 2.269 50 10 JEGE OB(O)c1cnc(Sc2cc(I)ccc2Br)c(F)c1 2338308457 QLDHIAHFZNPKCB-UHFFFAOYSA-N 453.867 2.419 50 10 JEGE C[C@@H](Cl)CN1CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CC1 2364204961 IFGIWAOWPUHWRY-QGZVFWFLSA-N 456.008 2.418 50 10 JEGE COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)/C(C#N)=C2/Nc3ccccc3N2C)cc1 27521262 BUWHKTMVRHHBFJ-NMWGTECJSA-N 470.551 2.450 50 10 JEGE Nn1c(SCCCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)nnc1-c1ccccc1O 58988114 ADFCFHZTYRVWOM-SRZZPIQSSA-N 457.472 2.001 50 10 JEGE C[C@@H](C(=O)NN)c1ccc(Cn2cnc(I)c2I)cc1 380127891 SESKFCXLGQRJPQ-MRVPVSSYSA-N 496.090 2.234 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@H](CBr)C2(CCC2)C1 1914021033 UODAVBMMEAVBAP-AWEZNQCLSA-N 455.374 2.500 50 10 JEGE CC(C)(C)OC(=O)NC[C@H]1CC[S@](=O)(=NS(=O)(=O)CI)C1(C)C 1983332988 CNWHNIDGDQOAQO-ZQJOYCHOSA-N 480.390 2.500 50 10 JEGE CC(C)(C)OC(=O)N1CCN([S@@](C)(=O)=NS(=O)(=O)CCC(CCl)CCl)CC1 2163055506 INMPEZUMCUEPMM-SANMLTNESA-N 466.453 2.366 50 10 JEGE Cc1sc(CN(C)C(=O)[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)c(B(O)O)c1C 2268717478 XUWBJDXERZCMSD-GOSISDBHSA-N 476.404 2.113 50 10 JEGE COc1ccc(CNC(=O)C(C)(C)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1B(O)O 2278693114 RRAZDSFWWPVEIF-UHFFFAOYSA-N 488.349 2.309 50 10 JEGE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H]2CNS(=O)(=O)N1CCC(Br)CC1 2330514576 ZQZUHEJDOALADA-CFVMTHIKSA-N 452.415 2.468 50 10 JEGE COc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)NCc3ccco3)cc2)c(OC)c1 1084205626 IDTBFBIOQWAKFV-UHFFFAOYSA-N 480.477 2.081 50 10 JEGE C[C@@H](NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O)c1nnc(CCl)s1 1877554301 MJZITLUPDOWFBN-QGHHPUGFSA-N 460.940 2.282 50 10 JEGE Cc1cc(B(O)O)sc1CNC(=O)[C@@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21 2243677798 ACALFKYBDPUENW-OAHLLOKOSA-N 464.352 2.280 50 10 JEGE CCOC(=O)c1ccc(NC(=O)C(C#N)=CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 2324349111 VFDATQDTKYXQMR-UHFFFAOYSA-N 468.535 2.216 50 10 JEGE CC1(C)O[C@@H]2O[C@H](C(=O)N/N=C/c3cccc(Br)c3)[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1 252394572 VWRYINVXIDQZFU-RDWHLOIESA-N 455.305 2.296 50 10 JEGE CO[C@@H]1C[C@@H](CBr)N(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 703965666 SIQJDCBEWRSNHE-UONOGXRCSA-N 473.389 2.123 50 10 JEGE CCN1C(=O)C(=NNC(=O)CCNC(=O)c2ccccc2Br)c2cc(OC)ccc21 1772720524 NWVDCWXVHKNJPL-UHFFFAOYSA-N 473.327 2.465 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC=C(CBr)CC1 2004221962 WPQFIZMSMCDJGU-SFHVURJKSA-N 459.337 2.368 50 10 JEGE COc1ccc(B(O)O)cc1NC(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21 2248882630 KPZSLIMFTSFQOM-UHFFFAOYSA-N 460.295 2.242 50 10 JEGE CN(C[C@@]1(Oc2ccc(B(O)O)cn2)CCCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C 2270913914 DSLVMYFBNPOQPI-DEOSSOPVSA-N 455.364 2.042 50 10 JEGE COCCNC(=O)Cn1cc(C=C(C#N)C(=O)NC[C@@H]2CCCO2)c2cc(Br)ccc21 2313624616 YGRIZWLQWFFEQZ-SFHVURJKSA-N 489.370 2.369 50 10 JEGE Cc1ccc(OCC(=O)NNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(Br)c1 12581997 WQIYXLUGVAEFLB-UHFFFAOYSA-N 453.205 2.414 50 10 JEGE O=C(NNC(=O)c1c[nH]c2ccc(Cl)cc2c1=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 32605264 LTUVYCPXDDRZDG-UHFFFAOYSA-N 474.926 2.041 50 10 JEGE C[C@H](I)CN(CCI)c1ccc(S(N)(=O)=O)cc1 100110111 AVHZDPIEWLVDFE-VIFPVBQESA-N 494.136 2.399 50 10 JEGE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NNc2ccc(F)c(F)c2F)o1 728715423 DWXUTNMGJPOCCO-GFCCVEGCSA-N 461.418 2.170 50 10 JEGE CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](OC2CC(CS(C)(=O)=O)C2)C1 1995355398 ZTMQNZQNKQTOST-TYUFSLCMSA-N 459.346 2.249 50 10 JEGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O 2314795783 PQSXLRQSVVSLLO-MRXNPFEDSA-N 489.484 2.051 50 10 JEGE CN1CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)[C@H](CCCl)C1 2364197482 METRHNWGMXANLV-QGZVFWFLSA-N 456.008 2.418 50 10 JEGE Cc1ccc(NCC(=O)NNC(=O)CCc2nc(O)c3cnn(-c4ccccc4)c3n2)c(C)c1 771522895 ABRVYIVHQMCXAC-UHFFFAOYSA-N 459.510 2.330 50 10 JEGE C=CC[C@]1(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)CCCN1C(=O)OC(C)(C)C 1135362247 ZMXUJCCMEHOIGU-HSZRJFAPSA-N 455.515 2.040 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H]1COC2(CCC2)[C@H]1Br 2141552963 DNSAIHJCWFKQLV-IRXDYDNUSA-N 485.400 2.457 50 10 JEGE O=C(COc1ccc(Cl)cc1Br)NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 13628915 WPDUARQPWXBVBO-LLVKDONJSA-N 470.707 2.270 50 10 JEGE CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 13981167 QBDLTPNCWFPJPK-UHFFFAOYSA-N 461.456 2.341 50 10 JEGE C=CCN1C(=O)c2ccc(C(=O)NNC(=O)[C@@H](C)Oc3cccc(Br)c3)cc2C1=O 26634716 HJHDKJXSNJPZJF-GFCCVEGCSA-N 472.295 2.460 50 10 JEGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)N[C@H]3CCS(=O)(=O)C3)c(Oc3ccc(F)cc3)nc12 35144572 ANTLQBMMFPNGQF-HKBKRHGFSA-N 482.493 2.145 50 10 JEGE COc1ccc(Br)c(C(=O)NNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1 728529636 IBJPKHOPTRZMGP-UHFFFAOYSA-N 496.383 2.320 50 10 JEGE Cc1ccc2c(c1)C(=NNC(=O)CCCCC(=O)NN=C1C(=O)N(C)c3ccc(C)cc31)C(=O)N2C 1772720010 CETMSGCVYOUMHH-UHFFFAOYSA-N 488.548 2.157 50 10 JEGE C[C@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)/C=C/c4ccc([N+](=O)[O-])s4)c(=O)c23)C1 1860769674 CVQSEPPBSBMNPN-GQOHGMTASA-N 473.536 2.413 50 10 JEGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C2)C1 1872960126 BSMFHRXQVXDILC-GJZGRUSLSA-N 486.916 2.378 50 10 JEGE CC(C)(C)OC(=O)N1CC2(C[C@H](O)CN2S(=O)(=O)c2ccc(CBr)cc2)C1 2186609265 ZLZCGGZJDNEGMB-AWEZNQCLSA-N 461.378 2.326 50 10 JEGE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(B(O)O)ccc1Cl 2256626983 QCEHDSBYOBSYCP-LIRRHRJNSA-N 462.739 2.457 50 10 JEGE O=S1(=O)C[C@@H](I)[C@H](OCc2cccc(I)c2)C1 2302681915 DXRDXRQURUXKPA-GHMZBOCLSA-N 478.089 2.408 50 10 JEGE O=C(Cc1ccccc1)NNc1ncnc(NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1[N+](=O)[O-] 40658652 PGFUIEOPSKNQBY-UHFFFAOYSA-N 486.832 2.389 50 10 JEGE CCOc1cc(C=NNC(=O)c2c(C)nnn2-c2nonc2N)ccc1OCc1ccccc1 254624781 RGJNOJVHESNAFK-UHFFFAOYSA-N 462.470 2.283 50 10 JEGE Cc1nn(-c2ccccc2)c(N(C)C)c1C=NNc1nc(S[C@H](C)C(=O)NNC(=O)C(C)C)n[nH]1 1084532395 XRBPTCNTTHNDSA-OAHLLOKOSA-N 498.617 2.095 50 10 JEGE CC(C)(C)OC(=O)N[C@]12CCC[C@@H]1CN(S(=O)(=O)N1CCC(Br)CC1)C2 1893721115 YJSLWDYJWIESIW-DYVFJYSZSA-N 452.415 2.470 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCCSCCBr 1899598962 QDSAJUGOAYESEG-UHFFFAOYSA-N 463.419 2.356 50 10 JEGE CC1([C@@H](CBr)NS(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2000536793 ABYKCGDUKAOUAL-KDOFPFPSSA-N 461.353 2.494 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H]1C[C@@H](CBr)CO1 2039815936 JKPSDFZQIYNRIH-UONOGXRCSA-N 473.389 2.028 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@@H](OCCCBr)C1 2085955645 RPNWELCCKAVVDP-OAHLLOKOSA-N 473.389 2.269 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H]2COC[C@@H](C1)[C@@H]2Br 2132542022 GGHBHYVDVLCQLX-HWWDLCQESA-N 485.400 2.124 50 10 JEGE O=S(=O)(NCCCN(Cc1ccccc1)Cc1ccccc1)c1ccc(B(O)O)cc1Cl 2255754598 BZBDZLALXBDVHK-UHFFFAOYSA-N 472.803 2.391 50 10 JEGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)Nc1cc(Cl)ccc1B(O)O 2256665052 IUMXXTRBLSQDLH-QGZVFWFLSA-N 462.739 2.459 50 10 JEGE CC(C)(C)OC(=O)N1CCC[C@](CI)(O[C@H]2CCN(S(C)(=O)=O)C2)C1 2257827899 AWRJPGOZQMRRTH-XJKSGUPXSA-N 488.388 2.242 50 10 JEGE CN1CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)[C@H](CBr)C1 2338853266 WNVIGTCKKBHZFU-MRXNPFEDSA-N 486.432 2.184 50 10 JEGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(F)c(F)cc1B(O)O 2351772781 DSXSICGPWJFBNB-ORAYPTAESA-N 464.274 2.082 50 10 JEGE CC(C)(C)OC(=O)NC[C@]1(Oc2ccc(C=O)c(B(O)O)c2)CCCN(Cc2ccccc2)C1 2365051102 XTAAPHZWEBGEIH-RUZDIDTESA-N 468.359 2.117 50 10 JEGE Cc1ccc(NC(=O)/C(C#N)=C\c2c(N3CCC(C(N)=O)CC3)nc3ccccn3c2=O)cc1 4472133 PBSZLYPSQVBAGL-JXAWBTAJSA-N 456.506 2.250 50 10 JEGE Cc1ccc(OCC(=O)NC(=S)NNC(=O)COc2ccccc2)c(Br)c1 12570974 LKUAOPHZGDVEQT-UHFFFAOYSA-N 452.330 2.237 50 10 JEGE CC(=NNC(=O)CCCSc1nnc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1N)c1ccncc1 1084601916 UFWLECXNXOVHLJ-UHFFFAOYSA-N 485.486 2.283 50 10 JEGE Cc1sc2ncn(CC(=O)NNC(=O)CNC(=O)c3ccccc3)c(=O)c2c1-c1ccccc1 1860769814 IQEMZUDVESBDJW-UHFFFAOYSA-N 475.530 2.011 50 10 JEGE COc1ccc([C@H](C)N2C[C@@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1OC 1872960812 GFIVGWXYZYRMOO-SXLOBPIMSA-N 495.580 2.390 50 10 JEGE CN(C[C@@H](Br)COCc1ccccc1)S(=O)(=O)c1c(Br)nnn1C 1916362662 SXSGPOFENSSRIS-GFCCVEGCSA-N 482.198 2.178 50 10 JEGE CN([C@H]1CC[C@@H]1NC(=O)OCc1ccccc1)S(=O)(=O)N1CCC(Br)CC1 1999493339 BPGOLJPWVPQXEW-IRXDYDNUSA-N 460.394 2.480 50 10 JEGE C[C@@H]1CN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)CC[C@@H]1Br 2000541256 HWMCDWMZUWSFMH-HNJNHCNJSA-N 461.353 2.446 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@@H](C2(NS(=O)(=O)N3CCC(Br)CC3)CC2)C1 2106298138 JZZAWPWKLBGFMR-CYBMUJFWSA-N 452.415 2.470 50 10 JEGE Cn1nc(Br)c(CC(CBr)(CBr)[C@@H]2CCS(=O)(=O)C2)n1 2235293177 JQUGOMSSMDHHPI-MRVPVSSYSA-N 494.047 2.331 50 10 JEGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1cnc(B(O)O)s1 2248395803 QVNOTHHAUVXHOP-NRFANRHFSA-N 479.367 2.002 50 10 JEGE C#CCNS(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)c1 17200773 NAGHLGBKEAGKKH-UHFFFAOYSA-N 481.505 2.391 50 10 JEGE COc1cc(/C=N\NC(=O)CN2CCOCC2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 38785025 KELSSONNCZWWTD-QFEZKATASA-N 454.527 2.112 50 10 JEGE COC(=O)[C@@H](I)CNC(=O)c1cccc(C)c1I 234593615 XWAIMPJQLZSNQK-VIFPVBQESA-N 473.048 2.306 50 10 JEGE CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)[C@@H]3Cc4ccccc4O3)cc2)cc1 748283265 GMVLWTQRGVWRTH-QFIPXVFZSA-N 479.514 2.455 50 10 JEGE O=C(NC1CCN(S(=O)(=O)N2CCC(Br)CC2)CC1)OCc1ccccc1 1999494542 OEBSVAOLJKEXEE-UHFFFAOYSA-N 460.394 2.481 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC2(CC(CBr)C2)C1 2066484586 BVZUAVBTZKULGJ-GOSISDBHSA-N 473.364 2.448 50 10 JEGE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)Nc1cc(Cl)ccc1B(O)O 2256640538 IUMXXTRBLSQDLH-KRWDZBQOSA-N 462.739 2.459 50 10 JEGE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1CN(S(=O)(=O)N1CCC(Br)CC1)C2 2333677678 LBFDWDUKXRGYEM-YDHLFZDLSA-N 452.415 2.326 50 10 JEGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(OC)c(B(O)O)c1 2339945961 ZRSFGVVIMJVMJO-DEOSSOPVSA-N 488.349 2.309 50 10 JEGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(Br)o2)cc1 14021959 VWPFKCBYOAYWMF-UHFFFAOYSA-N 484.328 2.323 50 10 JEGE Cc1cc([N+](=O)[O-])nn1CC(=O)N/N=C/c1cc(Br)c(O)c(Br)c1 20353682 QZDYXYOISHLIBX-FZSIALSZSA-N 461.070 2.481 50 10 JEGE Nc1c(NNC(=O)c2ccccc2F)ncnc1NNC(=O)c1ccccc1Br 40784724 WQMWXQVRVTZLTO-UHFFFAOYSA-N 460.267 2.474 50 10 JEGE CC(=O)N1CCN(Cc2ccccc2NC(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)CC1 1623790501 AHOHHQREXUTPDF-MRXNPFEDSA-N 457.506 2.110 50 10 JEGE Cc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc(N2CCNCC2)c(C)c1B(O)O 1887551571 DRQOGHKWWNRSRD-UHFFFAOYSA-N 485.393 2.432 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CBr)CC(F)F 2000540970 HMRIZYRZEYEYQU-HWPZZCPQSA-N 471.295 2.349 50 10 JEGE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CN(CCCCCI)CCN2C1=O 2214707758 FWSNJEZUOKHIDD-KGLIPLIRSA-N 451.349 2.402 50 10 JEGE N#CC(=CN=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1)C(=O)NCc1ccccc1 2297471478 CADIJGPZBWXFBH-PMACEKPBSA-N 452.561 2.485 50 10 JEGE COc1ccc(OCC(=O)Oc2ccc(C=C(C#N)C(=O)N3CCOCC3)cc2OC)cc1 2314793631 VYUUMEPYEUSLPC-UHFFFAOYSA-N 452.463 2.454 50 10 JEGE CN(Cc1ccc(B(O)O)cc1)C(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 2319279977 DOFGWSNHCIYSKL-UHFFFAOYSA-N 470.334 2.396 50 10 JEGE CCOCCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2)c1 10276230 DXFFHTPSAACRGR-UHFFFAOYSA-N 451.932 2.470 50 10 JEGE O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1Cl)c1ccc(Br)cc1I 2142281169 NAFJAKNXVGVDEU-WCBMZHEXSA-N 478.533 2.188 50 10 JEGE O=S1(=O)CC[C@@H](CC(CBr)(CBr)[C@H]2CCS(=O)(=O)C2)C1 2148767592 AUDKZRVZITUDAG-QWRGUYRKSA-N 452.230 2.022 50 10 JEGE Cc1sc(C(=O)NCCCONC(=O)OCC2c3ccccc3-c3ccccc32)cc1B(O)O 2247787284 MWVUWXPZMYZMIJ-UHFFFAOYSA-N 480.351 2.327 50 10 JEGE O=C(NOCCCNC(=O)c1ccc(B(O)O)c(F)c1)OCC1c2ccccc2-c2ccccc21 2255511854 PZFKJPNJIRZWOI-UHFFFAOYSA-N 478.285 2.096 50 10 JEGE CCOC(=O)c1cc(-c2ccc(F)cc2)n(CC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2Cl)c1C 2929807 YQFGVGHOOLGCAV-DLBZAZTESA-N 456.923 2.300 50 10 JEGE CC(C)C(=O)NNC(=O)[C@H](C)Sc1nnc(Cn2nnc3ccccc32)n1-c1ccccc1 59878249 IZJOMNYHKHKACD-HNNXBMFYSA-N 464.555 2.344 50 10 JEGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\[C@H]2C(=O)NC(=S)N(c3ccccc3)C2=O)cc1 103782703 UYQFDOPHVWJQPL-GEYFNICTSA-N 468.535 2.065 50 10 JEGE Cc1ccc(SCc2c(C(=O)NN=Cc3cccc(O)c3)nnn2-c2nonc2N)cc1 254762701 IWRUZMARYHCWAI-UHFFFAOYSA-N 450.484 2.303 50 10 JEGE CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)cc1Br 729165785 IGLXVMMZAAJCOM-UHFFFAOYSA-N 460.737 2.428 50 10 JEGE COc1ccc(N2CCN(CCNC(=O)NNC(=O)c3ccc(F)cc3Br)CC2)cc1 743362605 GELUIMBOEXNOGO-UHFFFAOYSA-N 494.365 2.363 50 10 JEGE CC(C)(C)C(=O)NNC(=O)CSc1n[nH]c(NN=Cc2ccc(Br)cc2)n1 1084053241 KDVPYPJYNAWPLP-UHFFFAOYSA-N 454.354 2.299 50 10 JEGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NNc2cc(Cl)nc(C)n2)cc1 1451686668 JLXJVSQWVFPFRD-MRXNPFEDSA-N 451.936 2.328 50 10 JEGE CC(C)(C)OC(=O)N1C[C@@H](I)[C@H](OC[C@H]2C[C@H](S(C)(=O)=O)C2)C1 1905176393 OZDLDCKYPWREIP-FDYHWXHSSA-N 459.346 2.249 50 10 JEGE O=C(N1CCN(S(=O)(=O)CI)CC12CCCCC2)C(F)(F)F 1983327715 PNEQACHZGBMIJO-UHFFFAOYSA-N 454.252 2.118 50 10 JEGE O=S(=O)(CI)N1CCC[C@]2(CN(Cc3ccccc3)CCO2)C1 1983329645 LRKMOLUXGQZOED-INIZCTEOSA-N 450.342 2.076 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC=CC[C@@H]1CBr 2007530192 YZINODNZRWBBDL-ACJLOTCBSA-N 459.337 2.366 50 10 JEGE C[C@@H](c1cc(B(O)O)cs1)N(C)C(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2284060576 PCAHYEOXBXNSEC-XDHUDOTRSA-N 487.431 2.117 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC2(CCOCC2)[C@@H]1CCl 2381036826 HSBGOBDPGRFMEA-QFBILLFUSA-N 458.939 2.060 50 10 JEGE C/C(=N\NC(=O)Cn1c(Nc2cccc(C)c2)nc2c1c(=O)n(C)c(=O)n2C)c1ccccc1 606631104 VCRIICDEXWHHJS-JVWAILMASA-N 459.510 2.026 50 10 JEGE CC(=NNC(=O)CSc1nnc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1N)c1ccc(F)cc1 1083952094 OUOKAPXVDMTRFW-UHFFFAOYSA-N 474.434 2.247 50 10 JEGE Cc1c(C(=O)NN2CCN(C)CC2)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772747432 OPHXMXFTTYTOCR-UHFFFAOYSA-N 489.374 2.108 50 10 JEGE C[C@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)/C=C/c4ccc([N+](=O)[O-])cc4)c(=O)c23)C1 1860770075 RSOSLEOAUMEXFW-NEXMIYJRSA-N 467.507 2.352 50 10 JEGE CC(=O)NCCC(=O)N[C@@H](Cc1ccc(OC(C)=O)cc1)C(=O)Nc1ccc(SC#N)cc1 1866803515 XVEPLEFCEJAGSF-NRFANRHFSA-N 468.535 2.377 50 10 JEGE O=C(OCc1ccccc1)N1C[C@H](NS(=O)(=O)CI)C2(CCC2)C1 1884479196 GOWJXSMKINLQDL-AWEZNQCLSA-N 464.325 2.490 50 10 JEGE O=C(NC1(C(=O)NCc2cc(B(O)O)cs2)CC1)OCC1c2ccccc2-c2ccccc21 1902252447 PSYICOJZIKXRCH-UHFFFAOYSA-N 462.336 2.115 50 10 JEGE CC1(C)OC[C@@H](NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)[C@H]1Br 2078732822 JQICTOIHQIMERC-HZPDHXFCSA-N 473.389 2.313 50 10 JEGE CC(C)(C)OC(=O)N1CCC[C@]2(NS(=O)(=O)N3CCC(Br)CC3)C[C@@H]2C1 2106295003 CCVPVSTUELYQPA-DYVFJYSZSA-N 452.415 2.470 50 10 JEGE CC(C)(C)OC(=O)N[C@@H]1CCCC12CN(S(=O)(=O)N1CCC(Br)CC1)C2 2106782366 PXBGLCGROQCIBA-CQSZACIVSA-N 452.415 2.470 50 10 JEGE Cc1cc(CNC(=O)[C@@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)sc1B(O)O 2243665851 WLGAOVIWZBBPKG-OAHLLOKOSA-N 464.352 2.280 50 10 JEGE Cc1ccc(NC(=O)C2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)cc1B(O)O 2284054646 GWSXMJOMCWQIMQ-UHFFFAOYSA-N 467.375 2.173 50 10 JEGE CCCOc1cccc(C(=O)NC(=S)NNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 13623545 VYBHWHREVYUUMB-GOSISDBHSA-N 454.552 2.160 50 10 JEGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)CCC(=O)OCCOC)cc1 14645323 IGGUSLSEJZIOAT-UHFFFAOYSA-N 453.561 2.251 50 10 JEGE O=C(NNc1ncnc(NNC(=O)c2ccc(Br)cc2)c1[N+](=O)[O-])c1ccncc1 40657882 SLWLEVXMNBWEJT-UHFFFAOYSA-N 473.247 2.056 50 10 JEGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)NC[C@@]1(CBr)C[C@H]1C(F)(F)F 1909685881 NHRQJPGWJPTZLI-DOMZBBRYSA-N 469.279 2.166 50 10 JEGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 1991913188 KQPBSNPRDOJVOJ-LJQANCHMSA-N 465.638 2.381 50 10 JEGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 1993234242 VJKHLLRKVJDLRH-UONOGXRCSA-N 465.638 2.379 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2C[C@H]1C[C@H]2Br 2004614785 AMUYEMWHXMRASZ-DVOMOZLQSA-N 455.374 2.496 50 10 JEGE CO[C@@]1(CBr)CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2029213281 SGXHALFOXGZCJI-LJQANCHMSA-N 473.389 2.269 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@@]1(CBr)CCCO1 2073632690 MTZZZJFKONYECP-IBGZPJMESA-N 473.389 2.316 50 10 JEGE CCCOC(=O)CCC(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 13997541 JCUGBPORXJECSZ-UHFFFAOYSA-N 456.524 2.308 50 10 JEGE CS(=O)(=O)[C@H]1CSCCN1S(=O)(=O)c1cc(CCl)sc1Br 97656950 ZCBPEAUULJUSCT-VIFPVBQESA-N 454.842 2.358 50 10 JEGE O=S1(=O)C[C@@H](Cl)[C@@H](Nc2ncc(I)cc2Br)C1 2015762601 NBFMEWOFOGRJOL-SFYZADRCSA-N 451.511 2.265 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCOC[C@@H]1CCBr 2029213875 ZMTGYMXYZJXJHX-HNNXBMFYSA-N 473.389 2.269 50 10 JEGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1cc(B(O)O)cs1 2243675128 SBBOHRWUNRFCCA-OAHLLOKOSA-N 464.352 2.314 50 10 JEGE CC(C)OC(=O)C1=c2sc(=Cc3cccs3)c(=O)n2C(N)=C(C#N)[C@H]1c1cccs1 254758642 KGOBUHBQKFGQGY-INIZCTEOSA-N 455.586 2.412 50 10 JEGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(C)cc2OCC(=O)N(C)C)cc1 1476026475 UDGSHJLKINGKBK-INIZCTEOSA-N 456.499 2.285 50 10 JEGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1C(=NNC(N)=O)CCC2 1772749965 IGWKBNAVIMSIAI-UHFFFAOYSA-N 468.297 2.444 50 10 JEGE CN([C@H](CCBr)C(F)F)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 1984141297 YCQPPXRKRNCGAX-CYBMUJFWSA-N 453.305 2.353 50 10 JEGE CN(C)[S@@](=O)(=NC(=O)CCCCBr)N1CCN(C(=O)OC(C)(C)C)CC1 2106591875 SUCBTSOBFBSSFA-SANMLTNESA-N 455.419 2.491 50 10 JEGE C[C@@H](c1cc(B(O)O)cs1)N(C)C(=O)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2284141272 CDDLRRKTMVHGKC-KRWDZBQOSA-N 488.415 2.401 50 10 JEGE CC[C@@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)c1 13630310 BLLBOUODOFXCLR-GDBMZVCRSA-N 458.540 2.141 50 10 JEGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(CBr)c2)[C@H](C(=O)O)C1 95086938 IJTRWKSFYXMGEQ-AWEZNQCLSA-N 463.350 2.276 50 10 JEGE COCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2ccccc2[N+](=O)[O-])c(OC)c1 206407980 HEHHCXSSDLAIII-WJDWOHSUSA-N 455.423 2.257 50 10 JEGE CCOc1cc(C=NNC(=O)Cn2nnc(-c3ccccc3)n2)cc(I)c1O 252615148 JPSDKRQKKBJIBD-UHFFFAOYSA-N 492.277 2.199 50 10 JEGE C=CCn1c(S)nc2cc(C(=O)NNC(=O)c3cc(-c4cccs4)[nH]n3)ccc2c1=O 1182930759 GHDRLKYOPNTINO-UHFFFAOYSA-N 452.521 2.398 50 10 JEGE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)C(C)(C)O)c1 1616526354 DQDVUAKRIOHGBN-UHFFFAOYSA-N 451.932 2.253 50 10 JEGE Cc1cc(B(O)O)sc1CNC(=O)[C@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21 2243677797 ACALFKYBDPUENW-HNNXBMFYSA-N 464.352 2.280 50 10 JEGE CC(C)(C)OC(=O)N(CCCC(=O)N1CCc2cc(B(O)O)ccc2C1)Cc1ccccc1 2268677446 ANETYRXGUPVDDN-UHFFFAOYSA-N 452.360 2.469 50 10 JEGE C/C(=N\NC(=O)CCCSc1nnc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1N)c1ccccn1 58991604 AFIGLVZHXTVDAF-WSDLNYQXSA-N 485.486 2.283 50 10 JEGE Cc1ccc(C(=O)Nc2nnc(CC(=O)NN=Cc3cc4c(cc3[N+](=O)[O-])OCO4)s2)cc1 252632673 VWKGYLJPIBDQBP-UHFFFAOYSA-N 468.451 2.429 50 10 JEGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NC[C@H]2CCN(C(C)C)C2)cc1 749598270 HZHGFVQMYLWODT-BAOGCXAUSA-N 464.570 2.188 50 10 JEGE CCCNC(=O)CN1C(=O)C(=NNC(=O)c2cc(Br)ccc2O)c2ccccc21 1083977389 QZCKTDUKXOPACN-UHFFFAOYSA-N 459.300 2.162 50 10 JEGE CCc1cccc(CC)c1N1C[C@H](C(=O)NNC(=O)c2ccccc2S(C)(=O)=O)CC1=O 1865756243 NWPKRNOOPRGRSC-QGZVFWFLSA-N 457.552 2.029 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H]2C(CBr)[C@@H]2C1 1943069036 VSPOIBCKEMWBRI-IRXDYDNUSA-N 455.374 2.355 50 10 JEGE Cc1csc(CN(C)C(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc2ccccc2)c1B(O)O 2268634870 LBZYANKZKZUCNU-OXQOHEQNSA-N 476.404 2.193 50 10 JEGE N#CC(=CN=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(F)cc1)C(=O)NCc1ccco1 2296553715 KAUAVNXJOQEGNM-OALUTQOASA-N 474.539 2.213 50 10 JEGE Cn1cc(C(=O)NNC(=O)CCNS(=O)(=O)c2cccc(Br)c2)c2ccccc21 10737002 NTPXXSVQLBIHAE-UHFFFAOYSA-N 479.356 2.070 50 10 JEGE CCCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(=O)OCC)cc2)c1 14641660 PYBSBYFVMLUNKU-UHFFFAOYSA-N 459.524 2.367 50 10 JEGE C[C@H](NC(=O)/C(C#N)=C\N(CCN(C)C)[C@H]1CCS(=O)(=O)C1)C12CC3CC(CC(C3)C1)C2 253319584 KQXQFYQAQXQWTN-SAKZKOGYSA-N 462.660 2.166 50 10 JEGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1cc(OC)c(OC)c(OC)c1)S(C)(=O)=O 1083890455 FLZXPGFSKYPQPT-UHFFFAOYSA-N 485.946 2.291 50 10 JEGE COC(=O)c1ccc(C=NNC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(O)c(OC)c2)cc1 1084420438 FVAPRYXHDXZIGR-IBGZPJMESA-N 454.508 2.131 50 10 JEGE CC(=O)[C@@H]1CC(C(=O)NNC(=O)CCCCCNC(=O)OC(C)(C)C)=NN1c1ccccc1 1645576536 GSAOXZKMSFMYKE-IBGZPJMESA-N 459.547 2.443 50 10 JEGE CC1(C)[C@@H](CBr)OCCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2041648793 WKMUDISMUACHHK-MRXNPFEDSA-N 473.389 2.267 50 10 JEGE O=C(c1cc(I)ccc1O)N1C[C@H]2COC[C@@]2(CBr)C1 2234578494 GIMJBMFWSFSOIU-LKFCYVNXSA-N 452.086 2.480 50 10 JEGE C[C@@H](c1cscc1B(O)O)N(C)C(=O)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2256675166 OPJDCQHEMPDTLE-HNAYVOBHSA-N 462.377 2.057 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H]2OCC[C@]2(CBr)C1 2278886748 HSPCYRUJFGTNTO-PXNSSMCTSA-N 485.400 2.269 50 10 JEGE O=C(NC1(C(=O)N2CCc3sc(B(O)O)cc3C2)CC1)OCC1c2ccccc2-c2ccccc21 2319285522 ZDTUYQDZRMKRAU-UHFFFAOYSA-N 488.374 2.384 50 10 JEGE O=C(NNc1ncnc(NNC(=O)c2ccccc2Br)c1[N+](=O)[O-])c1ccncc1 40658354 BXSAYGDNVOYSMG-UHFFFAOYSA-N 473.247 2.056 50 10 JEGE COc1cc(Br)c2c3c1O[C@@H]1C(=O)[C@@H](Br)C[C@@]4(O)[C@@H](C2)N(C)CC[C@]314 504710748 JOIWBECPBKCGJU-QNHHLFEPSA-N 473.161 2.184 50 10 JEGE CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)Cc3ccncc3)cc2)cc1 1137172541 MCXAJZIXJDLDNZ-UHFFFAOYSA-N 452.492 2.089 50 10 JEGE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CC[C@H]2NS(=O)(=O)N1CCC(Br)CC1 2106297023 VPSKIEHCBAFUMH-BPLDGKMQSA-N 452.415 2.468 50 10 JEGE CN1CCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)[C@@H](CCBr)C1 2138084919 UBJCVYKAVOVJMD-HNNXBMFYSA-N 486.432 2.040 50 10 JEGE Cc1csc(CNC(=O)[C@@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)c1B(O)O 2243685395 TYUBIVKPBPWEJU-OAHLLOKOSA-N 464.352 2.280 50 10 JEGE C=C1CC(CBr)(NS(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2246873106 WIVDXQIZEMXNRU-QGZVFWFLSA-N 459.337 2.414 50 10 JEGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@@H]2[C@H](CBr)CO[C@H]2C1 2364228042 HUOXDOMBMRQCDC-PRJMDXOYSA-N 471.975 2.427 50 10 JEGE O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)c1cc2c(s1)CCCC2 3427126 ROOMFLYTLKJJPR-JXMROGBWSA-N 475.592 2.122 50 10 JEGE CC(C)COc1cccc(C(=O)NC(=S)NNC(=O)CCC(=O)NCc2ccccc2)c1 10283380 MUFRHNGZBPWDKO-UHFFFAOYSA-N 456.568 2.454 50 10 JEGE CCn1c(CCC(=O)NNC(=O)c2cn(C)c3ccccc23)nc2cc(S(=O)(=O)N(C)C)ccc21 10736402 FVWKYOCLRPIPID-UHFFFAOYSA-N 496.593 2.192 50 10 JEGE CN1C(=O)[C@@]2(C)CC(C)(C(=O)NNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)C[C@@](C)(C2)C1=O 100970215 YXWJBGZKBASSRY-PMACEKPBSA-N 450.879 2.211 50 10 JEGE C[C@@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)CCC(=O)c4ccccc4)c(=O)c23)C1 1860769647 BPVJUEKSVBHQRG-CQSZACIVSA-N 452.536 2.393 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@@H]2OCCC[C@@]2(CBr)C1 2230593314 YHFCCYRYWUEGDE-FXAWDEMLSA-N 485.400 2.269 50 10 JEGE O=C(NCCNC(=O)c1ccc(Cl)cc1B(O)O)OCC1c2ccccc2-c2ccccc21 2243409500 JAMAGZXBVGYGFP-UHFFFAOYSA-N 464.714 2.288 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@H]1CC[C@@H](CBr)CO1 2253715631 LWHYFNDYCNOYND-LSDHHAIUSA-N 473.389 2.172 50 10 JEGE COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)NNC(=O)c1cc(OC)cc(OC)c1 2313682552 FXEXCYUILVDHFT-UHFFFAOYSA-N 482.493 2.187 50 10 JEGE CCOc1cc(C=NNC(=O)Cc2c(C)nc(O)nc2O)cc(Br)c1OCC 2323718725 UROFIBUHSCWFJE-UHFFFAOYSA-N 453.293 2.449 50 10 JEGE O=C(CS)NNC(=O)c1ccc2c(c1)C1(OC2=O)c2ccc(O)cc2Oc2cc(O)ccc21 31500768 ZIEGBRJGXQZEQV-UHFFFAOYSA-N 464.455 2.357 50 10 JEGE CCOC(=O)/C=C\C(=O)N/C(S)=N\NC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 33616118 DEHMFLFUQFAWMZ-QXMHVHEDSA-N 454.508 2.413 50 10 JEGE Nn1c(SCCCC(=O)N/N=C/c2ccc(O)cc2O)nnc1-c1cccc([N+](=O)[O-])c1 58987217 OWDOPVCQRUPABC-SRZZPIQSSA-N 457.472 2.001 50 10 JEGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)cc1 206610242 MWMMAQSWSYXANV-WDZFZDKYSA-N 486.506 2.276 50 10 JEGE N#CCCn1cc(/C=C(\C#N)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)c(-c2ccccc2)n1 920426360 FYNGAUBNDURSCP-QMZMWQIVSA-N 458.522 2.221 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCO[C@@H]2C[C@@H](CBr)C[C@H]21 2135049145 RRGTUJPHWHPUBD-BMGDILEWSA-N 485.400 2.267 50 10 JEGE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)c2ccc(CBr)cc2)[C@H]2COC[C@H]12 2163051967 YGOQNNSZMZZHNP-OAGGEKHMSA-N 461.378 2.494 50 10 JEGE Cn1ncc(C(=O)N2C[C@@H]3CC[C@@H](CBr)O[C@@H]3C2)c1I 2289185846 HFSWXVUWHDJAIO-ATZCPNFKSA-N 454.106 2.039 50 10 JEGE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)Nc1cc(F)c(F)cc1B(O)O 2351776715 VSUSVUCOTIPCKV-HNNXBMFYSA-N 464.274 2.083 50 10 JEGE C[C@H]1C[C@H]2[C@@H]3C[C@H](Br)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO 675083646 BFZCSZWVWZIJCC-XHIJKXOTSA-N 471.363 2.269 50 10 JEGE in-vitro C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNS(=O)(=O)c4ccccc4[N+](=O)[O-])c(=O)c23)C1 1860770379 GMTWXOJOVRTLQA-NWDGAFQWSA-N 491.551 2.062 50 10 JEGE C[C@@H]1CCc2c(sc3ncn(CC(=O)NNS(=O)(=O)c4ccc(Cl)cc4)c(=O)c23)C1 1860770675 RGXPHRIWYSKDNH-LLVKDONJSA-N 466.972 2.246 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](F)[C@@H](CBr)C1 2008024253 HCAGIWLTOIACBQ-KHIZAZIESA-N 465.316 2.005 50 10 JEGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1/C(=N/NC(N)=S)CCC2 40824605 HMQMDKDHPZPMPQ-CIAFOILYSA-N 464.345 2.299 50 10 JEGE Cc1cn([C@H]2C[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H](CO)O2)c(=O)[nH]c1=O 195898979 HEHSUGMKUBTCGE-YTFSRNRJSA-N 480.637 2.070 50 10 JEGE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)C1 728203740 MSTHRVSYDJKIJN-KRWDZBQOSA-N 461.588 2.186 50 10 JEGE COc1ccc(CC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1OC 1860772388 XGGOITMQVXCWAM-ZDUSSCGKSA-N 470.551 2.305 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CBr)C[C@@H]1CCOC1 1883271133 XXRJBJYPJVZDKJ-GJZGRUSLSA-N 487.416 2.418 50 10 JEGE C[C@]12CN(S(=O)(=O)CCCCN3C(=O)c4ccccc4C3=O)C[C@@]1(CBr)C2 2001060518 ZAAUPRUWJPTDRN-OALUTQOASA-N 455.374 2.500 50 10 JEGE CO[C@@H]1C[C@@H](NS(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C[C@@H]1Br 2067192356 NIEHMADQLYXOSH-VBNZEHGJSA-N 473.389 2.169 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@]12CC[C@@](CBr)(C1)OC2 2133655605 CPMHVRKBKBBLLX-FHWLQOOXSA-N 489.363 2.017 50 10 JEGE CC(C)(C)OC(=O)N1CCN(CC2(CBr)CC(F)C2)[C@@H]2CS(=O)(=O)C[C@H]21 2265638056 IJNHVTDPACEAJH-YXXKGXSTSA-N 455.390 2.218 50 10 JEGE COc1cc(C=NNC(=O)Cn2c(O)nc3ccccc3c2=O)ccc1OC(=O)c1ccccc1 2328808859 BGUZHTWGULGNLB-UHFFFAOYSA-N 472.457 2.480 50 10 JEGE Cn1cc(Br)cc1C(=O)NNC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 107697673 WYJXSRUZXUKURP-CQSZACIVSA-N 465.323 2.169 50 10 JEGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1 206642661 TUEVIAPPPRCOKA-XGICHPGQSA-N 486.506 2.276 50 10 JEGE C[C@@H](NC(=O)/C(C#N)=C\N(CCN(C)C)[C@H]1CCS(=O)(=O)C1)C12CC3CC(CC(C3)C1)C2 253319583 KQXQFYQAQXQWTN-APJVZRNISA-N 462.660 2.166 50 10 JEGE C[C@@H]1[C@H](OC(=O)CCC(=O)NCCCC(=O)O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@]42OO3 504065056 UFYPJMIBQJQHGU-HNJBTFCSSA-N 469.531 2.499 50 10 JEGE biogenic CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cccc(-n3cnc(N(C)C)n3)c2)cc1 1562660363 NBVJQJPAZOJHJD-HNNXBMFYSA-N 451.487 2.156 50 10 JEGE CC(=O)N1C[C@H](C(=O)NN=c2cc(C(F)(F)F)[nH]c(-c3ccncc3)n2)Oc2ccccc21 1648580872 WSKKZHVCAVUKKF-MRXNPFEDSA-N 458.400 2.237 50 10 JEGE CC(C)(C)OC(=O)NCCSSCCNC(=O)C1(CO)CN(C(=O)OC(C)(C)C)C1 1993295193 KREFHDPCPKRMSM-UHFFFAOYSA-N 465.638 2.238 50 10 JEGE CC(C)(C)OC(=O)N(CCNC(=O)c1scc(B(O)O)c1Cl)OCc1ccccc1 2243413606 JUVSCJODONUJEY-UHFFFAOYSA-N 454.741 2.180 50 10 JEGE CC(C)(C)OC(=O)N1CC(N(OCc2ccccc2)C(=O)c2cc(B(O)O)c(Cl)s2)C1 2247885738 QGVNMGLXMONFRY-UHFFFAOYSA-N 466.752 2.275 50 10 JEGE CN(C)C[C@@H]1C[C@@H](Br)CN1C(=O)c1c(Br)c(Br)nn1C 2364227905 GCHVHUQAOMDWQJ-SFYZADRCSA-N 473.007 2.485 50 10 JEGE CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NNC(=O)c2cn(C)c3ccccc23)cc1 10736693 XNOANYRBYYHQGC-UHFFFAOYSA-N 470.551 2.243 50 10 JEGE N#CC[C@](O)(C#N)c1c(F)c(F)c([C@H](C#N)c2ccc(N(CCO)CCO)cc2)c(F)c1F 514260782 PXIHAXXZJWNGMC-QRQCRPRQSA-N 462.403 2.314 50 10 JEGE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NNC(=O)CN(C)C)c1 1182600074 JNSRAYRGKGVWST-UHFFFAOYSA-N 450.948 2.044 50 10 JEGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1C[C@@H](C(F)(F)F)[C@@H](CBr)C1 1999598382 CRPPAPLKXORHST-GXFFZTMASA-N 469.279 2.118 50 10 JEGE CN(CCN(CC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl)Cc1ccccc1)Cc1ccccc1 2019313904 RRFLAHHZYYORIO-FCHUYYIVSA-N 464.031 2.141 50 10 JEGE O=S(=O)(NCCCN(Cc1ccccc1)Cc1ccccc1)c1cc(Cl)c(B(O)O)s1 2247945957 CPWXCPKDRYKJKV-UHFFFAOYSA-N 478.832 2.452 50 10 JEGE CC(C)(CI)CN1CCNC(=O)[C@@H]1C1CN(C(=O)OC(C)(C)C)C1 2306848382 DJZJSFLFDATPME-ZDUSSCGKSA-N 451.349 2.115 50 10 JEGE CC(C)(C)OC(=O)N1CCC(NC=C(C#N)C(=O)Nc2ccc(S(=O)(=O)O)cc2)CC1 2318454439 XLXPIJVHQUUPHG-UHFFFAOYSA-N 450.517 2.268 50 10 JEGE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H]1C[C@H]2NS(=O)(=O)N1CCC(Br)CC1 2329594912 VZNPGRBMVFRWEP-DDHJSBNISA-N 452.415 2.372 50 10 JEGE CC(C)(C)OC(=O)NCC1(Nc2ccc(C=O)c(B(O)O)c2)CCN(Cc2ccccc2)CC1 2365052104 CMKSVPIPHLXYRI-UHFFFAOYSA-N 467.375 2.150 50 10 JEGE O=C(NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1I 13622955 LOQHMYWTBAKZKH-CQSZACIVSA-N 463.275 2.101 50 10 JEGE CN(C)c1ccc(/C=N/Nc2nc(SCC(=O)NNC(=O)c3ccc(F)cc3)n[nH]2)cc1 20923307 QDKFVVNDQUIRKN-SSDVNMTOSA-N 456.507 2.009 50 10 JEGE O=C(N/N=C1/C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21)c1ccccc1O 59471825 GWDGSLYPAJDARA-YYADALCUSA-N 454.442 2.169 50 10 JEGE COc1cc(/C=N\NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)ccc1OCc1cc(C)ccc1C 169924832 IVXYWXVGKYVUIV-ROTLSHHCSA-N 450.495 2.269 50 10 JEGE COC(=O)c1ccc(C=NNC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(C(=O)O)cc2)cc1 1084419610 OTKOYNFQAXNMRO-GOSISDBHSA-N 452.492 2.115 50 10 JEGE C=C[C@@H]1OCC[C@H]1CNC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2OC)c1 1252072373 FXXNIHWSQZTKTI-LPHOPBHVSA-N 474.539 2.031 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2C[C@@]2(CBr)C1 1942489935 RHRPMCKNUUOIMH-BFUOFWGJSA-N 455.374 2.355 50 10 JEGE CC1(C)[C@H](CBr)OCCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2108231605 RDTQDYQKDKPBRF-HNAYVOBHSA-N 491.379 2.215 50 10 JEGE O=S(=O)(NCCCN(Cc1ccccc1)Cc1ccccc1)c1ccc(Cl)c(B(O)O)c1 2255754504 ARQLNMPIKGKREW-UHFFFAOYSA-N 472.803 2.391 50 10 JEGE C[C@@H](c1cc(B(O)O)cs1)N(C)C(=O)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2256671540 UBEHUUMIUZRNAR-MAUKXSAKSA-N 462.377 2.057 50 10 JEGE COc1ccc(C[C@H]2SC(=C(C#N)C(=O)NN3CCN(C)CC3)N(c3ccccc3)C2=O)cc1 2296837172 FYJXRORRTKXRCR-JOCHJYFZSA-N 477.590 2.400 50 10 JEGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)c1nscc1B(O)O 2301721996 FBCRTXMAJPCZIQ-SZNDQCEHSA-N 479.367 2.317 50 10 JEGE CC(C)(C)OC(=O)N1CCC(N2CCN(CCOCCI)CC2)CC1 2326652983 DAIHMKUPTWUCLX-UHFFFAOYSA-N 467.392 2.455 50 10 JEGE O=Cc1ccc(Nc2cc(I)cc(I)c2)cc1B(O)O 2365108385 NFLUFZUYYAUSOX-UHFFFAOYSA-N 492.847 2.132 50 10 JEGE COc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)c(C)c1 12403253 PWPIQXRTHAEZNI-UHFFFAOYSA-N 452.330 2.481 50 10 JEGE O=C(CN1C(=O)/C(=N\NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21)Nc1ccc(O)cc1 15774686 YLRQAZJULUVHHO-DAFNUICNSA-N 459.418 2.420 50 10 JEGE CCCCOC(=O)c1ccccc1NC(=O)/C(C#N)=C\N(CCN(C)C)[C@H]1CCS(=O)(=O)C1 217240781 NDBROLBGXQLVIB-BBDWDQMGSA-N 476.599 2.040 50 10 JEGE C=CCN1C(=O)C(=NNC(=O)[C@H](CCSC)N2C(=O)c3ccccc3C2=O)c2ccccc21 254751155 GMYPITHXFBDMHU-IBGZPJMESA-N 462.531 2.457 50 10 JEGE CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2cccc3cccnc23)cc1Br 729350217 GFLJVGUDVOYZQP-UHFFFAOYSA-N 477.340 2.322 50 10 JEGE CCN(CCBr)CCC[C@@H](C)NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2139273158 BRDRGQXDKOTUKC-MRXNPFEDSA-N 488.448 2.478 50 10 JEGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cccc(B(O)O)n1 2248415870 IHBWMJFSJNPTGF-QHCPKHFHSA-N 459.311 2.263 50 10 JEGE Cc1ccc(B(O)O)c(C(=O)NCCCONC(=O)OCC2c3ccccc3-c3ccccc32)c1 2255508820 DMKSSRXZQMTMGJ-UHFFFAOYSA-N 474.322 2.265 50 10 JEGE Cc1ccc(B(O)O)c(NC(=O)[C@@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)c1 2284015073 IPQZQDOENQKYJN-VWLOTQADSA-N 468.359 2.457 50 10 JEGE O=C(NC1(C(=O)N2CCc3c(B(O)O)cccc32)CC1)OCC1c2ccccc2-c2ccccc21 2319283181 UOZRLWSKNUVUKV-UHFFFAOYSA-N 468.318 2.327 50 10 JEGE Cn1cc(C(=O)NNC(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@@H]3CCCO3)c2)c2ccccc21 26938375 UCWJWBAHRWVDCC-HNNXBMFYSA-N 490.969 2.364 50 10 JEGE CCN(Cc1ccccc1)c1ccc(/C=N/NC(=O)[C@@H](C)Sc2n[nH]c(=O)[nH]c2=O)cc1 169890554 FPIAIADGSZYUAN-LJGKHRNASA-N 452.540 2.116 50 10 JEGE CCOC(=O)c1c(NC(=O)CI)sc(C(=O)OCCOC)c1C 1865947925 ZXOIXQQCMPHLLQ-UHFFFAOYSA-N 455.270 2.410 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](F)[C@H](CBr)C1 1907654570 QMAVYHQJFLMFJN-IUODEOHRSA-N 461.353 2.303 50 10 JEGE C[C@@H](Br)[C@@H]1CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)CCO1 2053852143 XCYQOXBJCBKJKV-CJNGLKHVSA-N 473.389 2.123 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NCc1nnc(CBr)s1 2072476331 LUZRIPXEHZWHAV-UHFFFAOYSA-N 487.401 2.319 50 10 JEGE CC(C)CCNC(=O)C(C#N)=CN=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc2c(c1)OCO2 2296556030 SAVPTONVMVDEKY-VQIMIIECSA-N 476.580 2.060 50 10 JEGE COc1ncc(Br)c(C)c1CO[C@H]1CS(=O)(=O)C[C@@H]1I 2368197894 JPDGVAKEZVTHKH-QWRGUYRKSA-N 476.130 2.278 50 10 JEGE COc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2I)cc1OC 13983407 BRGXKCLZLDBMGD-UHFFFAOYSA-N 485.303 2.258 50 10 JEGE CCOc1cccc(-c2c(C(=O)NN=C(C)c3ccc4c(c3)OCO4)nnn2-c2nonc2N)c1 263622097 HVCLBELOKUQXGX-UHFFFAOYSA-N 476.453 2.181 50 10 JEGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)NC1(CCBr)CCSCC1 719664456 XSFXDINIJOVXCE-UHFFFAOYSA-N 461.403 2.253 50 10 JEGE O=C(CCOc1ccccc1)NNC(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1 726272050 CMOLGKQQPBGKSW-UHFFFAOYSA-N 460.556 2.161 50 10 JEGE O=C(Cn1ccc2ccccc21)NNC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1 729450701 MESHLWOBOVNPEW-UHFFFAOYSA-N 455.471 2.371 50 10 JEGE C=CCNC(=O)CN1CCN(C(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OC)cc3)c2C)CC1 758658428 NXAIPRGWHYFOKU-JWGURIENSA-N 461.566 2.456 50 10 JEGE CC(=O)N1CCN(Cc2ccccc2NC(=O)NNC(=O)CSc2ccccc2O)CC1 1466193459 PMDYJWYHGKOIRR-UHFFFAOYSA-N 457.556 2.001 50 10 JEGE CC(=O)Nc1cccc(C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1 1860769818 IVFOSAPQWVSHFE-LBPRGKRZSA-N 453.524 2.002 50 10 JEGE CC(C)(C)OC(=O)N1CCC([C@H](F)CNS(=O)(=O)CI)CC1 1910107614 OEAQGLPJOMLWQE-LLVKDONJSA-N 450.314 2.284 50 10 JEGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1csc(B(O)O)c1 2243665693 UJUCVELYZVXEIL-HNNXBMFYSA-N 464.352 2.314 50 10 JEGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ncc(B(O)O)s1 2243665773 VPXQWLPCVGNTOI-HXUWFJFHSA-N 465.340 2.325 50 10 JEGE CCN(CC)c1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2-c2ccc([N+](=O)[O-])cc2)cc1 254385177 AKJOSBXEOKYIEK-UHFFFAOYSA-N 490.484 2.418 50 10 JEGE O=C(N[C@H](Cc1c(B(O)O)[nH]c2ccccc12)C(=O)O)OCC1c2ccccc2-c2ccccc21 396525210 PFCKSHGRJPPNKT-HSZRJFAPSA-N 470.290 2.382 50 10 JEGE CC(C)(C)OC(=O)N[C@@]12CCC[C@H]1CN(S(=O)(=O)N1CCC(Br)CC1)C2 1893721119 YJSLWDYJWIESIW-SUMWQHHRSA-N 452.415 2.470 50 10 JEGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1C[C@]2(F)CCC[C@@]2(CBr)C1 2007700699 LHIFNONEHFNFRJ-QZTJIDSGSA-N 459.337 2.202 50 10 JEGE COC(=O)c1ccc(C(=O)OC)c(NC=C(C#N)C(=O)N2CCN(Cc3ccccc3)CC2)c1 2318461992 BHPLDLIHPFQPIX-UHFFFAOYSA-N 462.506 2.424 50 10 JEGE CCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(C(=O)OCC)cc1 14037168 NMHYCQUMIXCMCG-UHFFFAOYSA-N 459.524 2.367 50 10 JEGE Cc1ccc(C(=O)NNc2ncnc(NNC(=O)c3cccc([N+](=O)[O-])c3)c2[N+](=O)[O-])cc1 40657435 SNHWIQGAQASYOT-UHFFFAOYSA-N 452.387 2.115 50 10 JEGE O=P(O)(O)C(O)(CCCc1ccc(N(CCCl)CCCl)cc1)P(=O)(O)O 95705189 JHBMGZJQVAIXNT-UHFFFAOYSA-N 450.192 2.295 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)N2CCC(Br)CC2)[C@@H]1C1CC1 1885864941 HDGWMXJVBYHCRC-CABCVRRESA-N 452.415 2.468 50 10 JEGE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@H]1CN(S(=O)(=O)CI)C[C@@H]21 1983326520 BALFHEKUTUNQRG-VOAKCMCISA-N 456.346 2.286 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@]1(CBr)CCCO1 2073630562 NOEXDUYOKHPIOZ-IBGZPJMESA-N 473.389 2.172 50 10 JEGE CC(C)[C@@H](Br)C(=O)N=[S@@](=O)(N(C)C)N1CCN(C(=O)OC(C)(C)C)CC1 2106590658 JHONEWOUQOJTQL-ZBSNKRKSSA-N 455.419 2.345 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CNS(=O)(=O)N3CCC(Br)CC3)C[C@H]21 2140681119 GZHDCXZRJKMMMK-BPLDGKMQSA-N 452.415 2.326 50 10 JEGE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1cnc(B(O)O)s1 2256617166 HLLWSAAGTWADRD-IVZQSRNASA-N 493.394 2.393 50 10 JEGE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)Nc2cc(Cl)ccc2B(O)O)C1 2268793412 KFUSBCSOBKZEMI-UHFFFAOYSA-N 474.750 2.412 50 10 JEGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@H](Br)[C@H]2COC[C@H]21 2338861609 SCFCHTQPBDQDBK-DSYKOEDSSA-N 457.948 2.179 50 10 JEGE COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1cccc([N+](=O)[O-])c1 9696129 BYAXMFFQAIHPAA-UHFFFAOYSA-N 453.274 2.315 50 10 JEGE COc1ccc(CC(=O)NNC(=S)NC(=O)COc2ccc(C)cc2Br)cc1 12571059 HMTGTXRGPJJHSQ-UHFFFAOYSA-N 466.357 2.410 50 10 JEGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1Br 14662126 OQZKTWRRFGMQLO-UHFFFAOYSA-N 497.327 2.332 50 10 JEGE CCCOc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN(C)c2ccccc2)cc1 254807993 KKPSEHQPKLPKPU-UHFFFAOYSA-N 475.513 2.422 50 10 JEGE CCCOc1ccc(C(=O)NNS(=O)(=O)c2cc(N3CCCC3=O)ccc2OC)cc1[N+](=O)[O-] 1860406412 ZVNWACPQOWRLMZ-UHFFFAOYSA-N 492.510 2.142 50 10 JEGE CCCN1CC[C@H]([C@H](Br)c2cnn(C)c2I)S1(=O)=O 2089514011 IDVMQOTYFSEDCA-NXEZZACHSA-N 462.151 2.275 50 10 JEGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1sccc1B(O)O 2243666079 YRFVYMOYXLMVTQ-HNNXBMFYSA-N 464.352 2.314 50 10 JEGE C[C@@H](NC(=O)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)c1cccc(B(O)O)c1 2268680857 XWJPZWLBZFGXBW-UTKZUKDTSA-N 456.348 2.044 50 10 JEGE COc1cccc(C=NNC(=O)CCNc2nnc(O)nc2O)c1OCc1cccc(C)c1 2323190416 YIAUFIJEQIHDPN-UHFFFAOYSA-N 452.471 2.131 50 10 JEGE CCOC(=O)/C=C/C(=O)NC(=S)NNC(=O)COc1ccc2ccccc2c1Br 12501335 LNZVTVYHSIDCAR-MDZDMXLPSA-N 480.340 2.122 50 10 JEGE CCOc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)c2ccc(Br)o2)cc1 12570823 YYUCFFCUUDLONE-UHFFFAOYSA-N 483.344 2.495 50 10 JEGE CC(C)(C)OC(=O)N1CCN(C(=O)NNS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 1858082207 PDPCFYSVZPHRKC-UHFFFAOYSA-N 453.348 2.449 50 10 JEGE CC(=O)Nc1cccc(C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)c1 1860772375 XBOIWUKQWCCCOY-GFCCVEGCSA-N 453.524 2.317 50 10 JEGE COC1(CNS(=O)(=O)N2CCC(Br)CC2)CCN(C(=O)OC(C)(C)C)CC1 2162588746 JJDDRYYOSABVCQ-UHFFFAOYSA-N 470.430 2.096 50 10 JEGE O=C(c1ccc(I)c(O)c1)N1C[C@H]2COC[C@@]2(CBr)C1 2234579922 LKACQJQPHKXWEW-IINYFYTJSA-N 452.086 2.480 50 10 JEGE CC(C)CCNC(=O)/C(C#N)=C/N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2c(c1)OCO2 254757471 SAVPTONVMVDEKY-ZWFRANNKSA-N 476.580 2.060 50 10 JEGE CCOc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)NCc3ccco3)cc2)cc1 1084063971 BGHGRICIHOLMIM-UHFFFAOYSA-N 464.478 2.462 50 10 JEGE CC(=O)c1ccc(S(=O)(=O)CC(=O)NNC(=O)Nc2ccc(OC(F)F)cc2)cc1F 1625986974 JNMTXHWQHIFKIM-UHFFFAOYSA-N 459.402 2.256 50 10 JEGE COc1ccc(CC(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)c(OC)c1 1860772200 UZOSBZJLMMFVIT-CYBMUJFWSA-N 470.551 2.305 50 10 JEGE CO[C@@H]1C[C@H](NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C[C@H]1Br 2067187394 CWBAUEJDZWQWJW-KBRIMQKVSA-N 473.389 2.313 50 10 JEGE Cc1c(C(=O)NNC(=O)COc2ccccc2)oc2c1/C(=N/NS(=O)(=O)c1ccccc1)CCC2 40815084 KXQKDMXBDAZETA-NCELDCMTSA-N 496.545 2.447 50 10 JEGE N#C/C(=C/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(F)cc1)C(=O)NCc1ccco1 205506320 KAUAVNXJOQEGNM-PILKZWQNSA-N 474.539 2.213 50 10 JEGE CCCOc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2-c2ccc3c(c2)OCO3)cc1 254839327 ZJAVDQNCHUBEOB-UHFFFAOYSA-N 476.453 2.181 50 10 JEGE O=C(N[C@H]1CS(=O)(=O)C[C@@H]1Cl)c1ccc(I)c(Br)c1 721573437 RHYGWXFPELYYKJ-WPRPVWTQSA-N 478.533 2.188 50 10 JEGE CC(=O)N1CCN(c2ccc(C(=O)NNc3cccc(C(F)(F)F)n3)cc2[N+](=O)[O-])CC1 1641305964 OZNUBDRGFWZDTD-UHFFFAOYSA-N 452.393 2.434 50 10 JEGE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@H]1CN(S(=O)(=O)CI)C[C@H]21 1983326519 BALFHEKUTUNQRG-NDBYEHHHSA-N 456.346 2.286 50 10 JEGE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H]1CN(S(=O)(=O)N1CCC(Br)CC1)C2 2333677677 LBFDWDUKXRGYEM-UMVBOHGHSA-N 452.415 2.326 50 10 JEGE C=CCNS(=O)(=O)c1ccc(CC(=O)NNC(=O)Nc2cc(OC)ccc2Cl)s1 1634968802 SCUQZDPTURWIPW-UHFFFAOYSA-N 458.949 2.270 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@@H](CBr)C2(CC2)C1 1942096388 ASUHMWDAWFXRKI-CQSZACIVSA-N 455.374 2.500 50 10 JEGE C[C@@]1(CBr)CC(F)(F)CN1S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 1996897236 BSSPVYBAHDIAAS-INIZCTEOSA-N 465.316 2.497 50 10 JEGE CN(CC(=O)NNC(=O)c1ccc(Br)cc1)S(=O)(=O)C=Cc1ccccc1 2297404360 ILGXDYNTMMLLKU-UHFFFAOYSA-N 452.330 2.143 50 10 JEGE O=C(NC1(C(=O)N2CCc3cc(B(O)O)ccc32)CC1)OCC1c2ccccc2-c2ccccc21 2319282374 JOWAQWHVVHQNPS-UHFFFAOYSA-N 468.318 2.327 50 10 JEGE Cc1cc(CNC(=O)C2(NC(=O)OCC3c4ccccc4-c4ccccc43)CC2)ccc1B(O)O 2319285523 ZFBOUJNEOZQJHG-UHFFFAOYSA-N 470.334 2.362 50 10 JEGE COCCOc1ccc(C=C(C#N)C(=O)N[C@@H](Cc2ccc(OC(C)=O)cc2)C(=O)O)cc1 2331117859 TUCAWIFDHTVZRE-QFIPXVFZSA-N 452.463 2.356 50 10 JEGE Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2I)cc1 12501573 QAGVUFAJERLQGB-UHFFFAOYSA-N 469.304 2.314 50 10 JEGE Nn1c(SCCCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)nnc1-c1cccc([N+](=O)[O-])c1 58986784 LEHGEBJFHNUTRY-CIAFOILYSA-N 470.471 2.498 50 10 JEGE COc1cccc(/C=N/NC(=O)[C@@H]2CCCN(C(=S)NN[C@H]3C[C@@H]4C=C[C@@H]3C4)CC2)c1O 215724450 KMHGIAGHSMGURL-PQGCAUPISA-N 457.600 2.297 50 10 JEGE CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1467953051 LLWQXQZEOHRDNE-QUCCMNQESA-N 458.559 2.317 50 10 JEGE C#CC[C@]1(C(=O)NNc2ccccc2S(=O)(=O)N(C)C)CCCN1C(=O)OC(C)(C)C 1625669059 ZTYOERSCGVKLTB-OAQYLSRUSA-N 450.561 2.173 50 10 JEGE COc1ccc(C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1OC 1860771635 CBRCJYFUOVZRMY-GFCCVEGCSA-N 456.524 2.376 50 10 JEGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(N4CCCC4)cc3)C2)C1 1872962491 UPSOVXQEERQESI-PMACEKPBSA-N 476.581 2.417 50 10 JEGE C[C@@H]1C[C@H](CBr)CN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000532476 JVTCRFHNFGFCDO-VFVRVIDISA-N 461.353 2.446 50 10 JEGE Cn1nc(Br)c(Br)c1C(=O)N1CCN2C[C@H](Br)C[C@@H]2C1 2364230022 HCFIJKDHVJBVNA-HTQZYQBOSA-N 470.991 2.239 50 10 JEGE COc1cc(C(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2)cc(OC)c1OC 12572207 CQFARBLAIMQYNF-UHFFFAOYSA-N 498.355 2.189 50 10 JEGE COCCOc1ccc(Br)cc1C(=O)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 13623264 WVUKRTVAAMIJLB-INIZCTEOSA-N 490.354 2.284 50 10 JEGE N#C/C(=C/N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1)C(=O)NCc1ccccc1 254432780 TYUSPNWGILKUNA-KMKXHCDOSA-N 466.588 2.481 50 10 JEGE COCC[C@H](CBr)NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703992433 AGMAZXZXEYPWDY-CYBMUJFWSA-N 461.378 2.028 50 10 JEGE O=C(CCN1C(=O)c2ccc(Br)cc2C1=O)NNC(=O)Cn1ccc2ccccc21 729451121 IJPWFIICNHTZFF-UHFFFAOYSA-N 469.295 2.238 50 10 JEGE N#C/C(=C/c1ccc[nH]1)C(=O)NNC(=S)NC(=O)/C=C\c1ccc(Br)s1 1088720998 RFPXTCUUDQDVNO-GKXDXITGSA-N 450.343 2.481 50 10 JEGE N#C/C(=C/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1)C(=O)NCc1ccccc1 1614104437 CADIJGPZBWXFBH-YQVVSNKKSA-N 452.561 2.485 50 10 JEGE COc1ccc(/C=C/C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1OC 1860769868 JZLMDKWEPZYUEZ-MRZGDXHCSA-N 482.562 2.461 50 10 JEGE CCOC(=O)c1c(NC(=O)c2ccc(B(O)O)cc2)sc(C(=O)OCCOc2ccccc2)c1C 1866097726 UHBMNKKXYZOWBS-UHFFFAOYSA-N 497.334 2.401 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@H](CBr)C[C@H]1CCCO1 1926760797 RGYNQEFNEKAPLS-LSDHHAIUSA-N 473.389 2.315 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@@H](Br)[C@@H](C2CC2)C1 1943031032 RDNQJIXWHTURRM-IAGOWNOFSA-N 455.374 2.498 50 10 JEGE Cc1nc(I)c(NC(=O)C=CC(=O)Cl)c(I)n1 2020419117 YPTLCLFZLPQZPE-UHFFFAOYSA-N 477.427 2.254 50 10 JEGE O=C(NCCNC(=O)c1ccc(B(O)O)c(Cl)c1)OCC1c2ccccc2-c2ccccc21 2243366706 HSJINEFLXHPWAX-UHFFFAOYSA-N 464.714 2.288 50 10 JEGE Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1/C(=N/NC(=O)c1cccnc1)CCC2 101605367 CRIYECVNUJZYPF-PCLIKHOPSA-N 476.449 2.436 50 10 JEGE COCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c1C 790313716 AZBJXUSIHIYGMT-LTGZKZEYSA-N 485.610 2.233 50 10 JEGE O=C(NN=Cc1cc(Cl)ccc1O)c1nonc1C(=O)NN=Cc1cc(Cl)ccc1O 1083949432 ZYEIJHMORGXNCG-UHFFFAOYSA-N 463.237 2.315 50 10 JEGE CC(C)(C)OC(=O)N1C[C@]23CCC[C@@]2(C1)CN(S(=O)(=O)CI)C3 1983329743 MPWQDWRYDKRSIT-GASCZTMLSA-N 456.346 2.432 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2CC[C@H](CCl)O[C@@H]2C1 2289334600 FPBHXVYHBIODTI-HDMKZQKVSA-N 454.976 2.357 50 10 JEGE COc1ccc(OC)c(C=CC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)c1 2325888177 ATIXVWNMWOOUON-UHFFFAOYSA-N 468.535 2.215 50 10 JEGE CCN1CCN(c2ncnc(NNC(=O)c3ccc(Br)cc3)c2[N+](=O)[O-])CC1 40610657 BQOBTONYIKZDSR-UHFFFAOYSA-N 450.297 2.046 50 10 JEGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)N/N=C/c1ccccc1[N+](=O)[O-] 59884575 JAPOMRFBCGRFJD-WSDLNYQXSA-N 477.510 2.408 50 10 JEGE CCCOc1ccc(-c2c(C(=O)NN=Cc3ccccc3OC)nnn2-c2nonc2N)cc1 254593783 OJFBWBDLLOMYMO-UHFFFAOYSA-N 462.470 2.461 50 10 JEGE N#CCCn1cc(/C=C(/C#N)C(=O)OCC(=O)N2CCOCC2)c(-c2ccc(Cl)cc2)n1 782093952 CCZBCJURWNEUPZ-ATVHPVEESA-N 453.886 2.426 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCOC[C@]1(C)CBr 2049903759 MXNNCIMSSZUOJR-IBGZPJMESA-N 473.389 2.124 50 10 JEGE CC(C)(C)OC(=O)N[C@H]1CCN(S(=O)(=O)c2ccc(CBr)cc2)C[C@@H]1CO 2178898756 USRYUFGUYKBQOL-ZBFHGGJFSA-N 463.394 2.478 50 10 JEGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1Cc2ccc(B(O)O)cc2C1 2248413806 AOGCUXXUCKXZDF-INIZCTEOSA-N 456.307 2.136 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H]2OCC[C@@]2(CBr)C1 2278886750 HSPCYRUJFGTNTO-YLJYHZDGSA-N 485.400 2.269 50 10 JEGE Cc1cnc(OC2(CN(C)C(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)cc1B(O)O 2286409059 XLTHXSOAKJZTTN-UHFFFAOYSA-N 469.391 2.350 50 10 JEGE COc1cc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2C)cc(OC)c1OC 12569862 MYDNNZIGSULXGG-UHFFFAOYSA-N 467.931 2.389 50 10 JEGE O=C(N/N=C1/C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21)c1ccc(O)cc1 59471826 ZLOMNSAPHAAUMX-YYADALCUSA-N 454.442 2.169 50 10 JEGE Cc1nc(-c2cnccn2)sc1C(=O)NNC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O 1865757607 LNRVOWXRULOFSB-UHFFFAOYSA-N 499.512 2.175 50 10 JEGE CN(CC1CC(Br)C1)C(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1887832865 KUVZDEIOOZBARM-JXQTWKCFSA-N 453.399 2.043 50 10 JEGE Cc1cc(CNC(=O)[C@@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)ccc1B(O)O 2251312975 MMBZTRBRNCRFNG-QGZVFWFLSA-N 458.323 2.218 50 10 JEGE O=C(N[C@H]1CS(=O)(=O)C[C@@H]1Br)c1ccc(Cl)c(I)c1 2268356671 HIXVZMUJJKTKDF-XVKPBYJWSA-N 478.533 2.235 50 10 JEGE C[C@H](NC(=O)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)c1ccc(B(O)O)cc1 2268680804 XGZGDWZOJYBRQH-UWJYYQICSA-N 456.348 2.044 50 10 JEGE CCOC(=O)c1ccc(OCC(=O)NNC(=O)c2ccc(OC)c(Br)c2)cc1 14027344 VBTZVMNHSHHWFA-UHFFFAOYSA-N 451.273 2.474 50 10 JEGE CCN(CC)S(=O)(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccncc3)c2[N+](=O)[O-])cc1 40628043 RXHFAPZTCNHLSS-UHFFFAOYSA-N 486.514 2.311 50 10 JEGE O=C(CC(=O)NN=Cc1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)NCc1cccnc1 1083910202 CAJXCIQAWPXALH-UHFFFAOYSA-N 463.469 2.395 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H](CBr)C1CC1 2000541557 IQRYGXSRAHIEGB-FZKQIMNGSA-N 461.353 2.351 50 10 JEGE CN(C[C@H]1C[C@H](Br)C1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2020240521 GDPHOGBLTXQCNH-LXIYXOSZSA-N 461.353 2.446 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2C[C@H](C[C@@H]2Br)C1 2046023902 WFDBAPFYFCVLNV-YGOSVGOTSA-N 473.364 2.446 50 10 JEGE Cn1ncc(C(=O)N2C[C@@H]3CC[C@H](CBr)O[C@@H]3C2)c1I 2289185847 HFSWXVUWHDJAIO-IQJOONFLSA-N 454.106 2.039 50 10 JEGE CC(C)(C)OC(=O)NCC12CC(CCN1S(=O)(=O)N1CCC(Br)CC1)C2 2340417737 LOQKMMJBVONDIB-UHFFFAOYSA-N 452.415 2.470 50 10 JEGE Cc1ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc2ccccc2)c(F)c1B(O)O 2352964521 IYYQVAAFMGKLEI-QRWLVFNGSA-N 460.311 2.251 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCCN(CCCl)CC1 2364195898 UVSLOTNUEAPUIE-UHFFFAOYSA-N 456.008 2.419 50 10 JEGE O=C(N/N=C1/C(=O)N(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c2ccccc21)c1cccs1 195813099 PGDAYCIYRJXRNC-UKDVXGDRSA-N 473.558 2.467 50 10 JEGE C[C@@H](NC(=O)/C(C#N)=C\N(CCN(C)C)[C@@H]1CCS(=O)(=O)C1)c1ccc2c(c1)CCCC2 217202653 JQAGCHOZCCQYIW-VUQFGBQASA-N 458.628 2.201 50 10 JEGE CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1)O[C@@H](C)C2 730473531 HOPARDRKPBPGCA-SOVGHPHASA-N 458.536 2.377 50 10 JEGE COc1ccc(C(C)=NNC(=O)CCCSc2nnc(-c3cccnc3)n2N)cc1OC 1084100185 KQYJQXJTGBXHCH-UHFFFAOYSA-N 455.544 2.484 50 10 JEGE C[C@@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)c4ccc(F)c([N+](=O)[O-])c4)c(=O)c23)C1 1865852488 YVYGDTUIIKTNLG-SNVBAGLBSA-N 459.459 2.091 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2CC[C@@H](Br)[C@H]2C1 2046026827 VHEILDBRBAENPK-XJTZBENFSA-N 473.364 2.446 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2CC(Br)C[C@@H]2C1 2065397617 QWBSJBQXUQPITD-VPZZIHKRSA-N 473.364 2.446 50 10 JEGE Cc1c(Cl)cc(C(=O)NCCN(OCc2ccccc2)C(=O)OC(C)(C)C)cc1B(O)O 2255746756 YBKORHRJAWYWPC-UHFFFAOYSA-N 462.739 2.427 50 10 JEGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1cc(B(O)O)cs1 2256620603 KJCSXEHOWKSPDA-ZRGWGRIASA-N 462.377 2.104 50 10 JEGE CCOc1ccc(NC(=O)C(C#N)=Cc2c(N3CCN(C)CC3)nc3ccccn3c2=O)cc1 2296732186 FUSYHLCHOUUCRZ-UHFFFAOYSA-N 458.522 2.391 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCOC[C@@H](Br)C1 2316828032 XKESMBNHYQYDAH-HNNXBMFYSA-N 473.389 2.269 50 10 JEGE COc1ccc(C(=O)NNC(=S)NC(=O)COc2cccc(C)c2)cc1Br 12503127 OKDXREUCULFBSE-UHFFFAOYSA-N 452.330 2.481 50 10 JEGE COc1ccc(CC(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2)cc1 12503624 MUGBYRLJROXGCD-UHFFFAOYSA-N 452.330 2.101 50 10 JEGE CCCNC(=O)CN1C(=O)/C(=N\NC(=O)c2cc(Br)ccc2O)c2ccccc21 59154442 QZCKTDUKXOPACN-NKFKGCMQSA-N 459.300 2.162 50 10 JEGE O=C(CCSc1ccc(F)cc1)NNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 749160896 GRUDDDONEAEAFP-HNNXBMFYSA-N 457.574 2.370 50 10 JEGE CC(C)(C)OC(=O)N1CC(C[S@](C)(=O)=NS(=O)(=O)N2CCC(Br)CC2)C1 2109492819 JOOGYFLHGPUQIW-VWLOTQADSA-N 474.443 2.055 50 10 JEGE CCNC(=O)C(C#N)=Cc1c(N2CCN(c3ccc(OC)cc3)CC2)nc2c(C)cccn2c1=O 2296331063 JGRYKACHFZKKDU-UHFFFAOYSA-N 472.549 2.381 50 10 JEGE Cc1ccc(NC(=O)C(=O)N/N=C2/C(=O)N(CC(=O)Nc3ccccc3)c3ccccc32)cc1 1921920 GDGMHASWTYGOFZ-XAYXJRQQSA-N 455.474 2.439 50 10 JEGE COCCCNC(=O)C(=O)NN=Cc1ccc(OCC(=O)Nc2cccc(Cl)c2C)c(OC)c1 8665943 REYXDZZFIZNOAV-UHFFFAOYSA-N 490.944 2.277 50 10 JEGE O=C1NCCC[C@H]1C(=O)N/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 59165388 NRWUOURVFGCHKD-VKEPEHDUSA-N 473.302 2.482 50 10 JEGE C/C(N)=C(\C#N)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Sc1nnnn1-c1ccccc1 104846886 GKPWTDKURCDQOQ-VBKFSLOCSA-N 465.451 2.204 50 10 JEGE C[C@@H](Sc1n[nH]c(NN=Cc2cccc(Br)c2)n1)C(=O)NNC(=O)C1CCC1 1084261200 RJPDOZIJAIIYHK-SNVBAGLBSA-N 466.365 2.441 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H]1CCOC[C@H]1CBr 2072947473 OXVFXEZWDINCQW-PBHICJAKSA-N 473.389 2.172 50 10 JEGE CCO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NS(=O)(=O)N1CCC(Br)CC1 2162595374 WICKBURIWUAQFM-CABCVRRESA-N 470.430 2.095 50 10 JEGE COc1cc(C=C(C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc(Br)c1O 2297551822 IIVPVRDVMRRTIM-UHFFFAOYSA-N 452.286 2.356 50 10 JEGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)C=Cc2ccc(OC)cc2)cc1 2313739219 IERTVSNFQRLFHV-UHFFFAOYSA-N 471.535 2.376 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@]1(CBr)CCOC1 2316822423 QJXMFOBHPRBXNW-IBGZPJMESA-N 473.389 2.316 50 10 JEGE O=C(O)COc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)cc1OCC(=O)O 3081279 DXOBEXZSGRJXCH-DNTJNYDQSA-N 451.229 2.140 50 10 JEGE COc1ccc(/C=N/NC(=O)CCCNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC 33959137 QIMFLMMUCLZTQS-AFUMVMLFSA-N 459.499 2.390 50 10 JEGE O=C(Cc1ccc([N+](=O)[O-])cc1)NN=C1C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 1084446995 GRADNCKDWFILRU-UHFFFAOYSA-N 497.467 2.301 50 10 JEGE C#CCN(C)CCCNC(=O)NNc1ccc(S(=O)(=O)NC2CCCCCCC2)cn1 1229292293 QQXNMNLGPQZTRO-UHFFFAOYSA-N 450.609 2.054 50 10 JEGE CCO[Si](CCCNC(=O)CCOCCOCCOCCN=[N+]=[N-])(OCC)OCC 1857791845 BCFMWIGPFZSBNT-UHFFFAOYSA-N 450.609 2.291 50 10 JEGE Cc1cc(CNC(=O)[C@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)sc1B(O)O 2243665849 WLGAOVIWZBBPKG-HNNXBMFYSA-N 464.352 2.280 50 10 JEGE Cc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 2296718472 KAGDBNLJVHYWND-KRWDZBQOSA-N 464.503 2.006 50 10 JEGE COCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccccc1C 14662966 FNROXBRTFYLAKG-UHFFFAOYSA-N 496.383 2.497 50 10 JEGE CSc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCCC[C@@H]2C)cc1 254477876 XNSDTXXMSRZFCE-ZDUSSCGKSA-N 455.548 2.093 50 10 JEGE COCCOCCOCCO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1I 303741363 LGVJCPOFZXIZMD-UONOGXRCSA-N 459.321 2.106 50 10 JEGE CCC(=NNC(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O)c1ccc(OC)c(OC)c1 1084260538 OBIJENYUWGULAJ-UHFFFAOYSA-N 479.555 2.418 50 10 JEGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(C)cc2OCC(=O)N(C)C)cc1 1476026476 UDGSHJLKINGKBK-MRXNPFEDSA-N 456.499 2.285 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CBr)C[C@H]1CCOC1 1883271132 XXRJBJYPJVZDKJ-CABCVRRESA-N 487.416 2.418 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@H](CBr)C1 2000533225 PPWIMEZGEQXSIP-FZKQIMNGSA-N 461.353 2.448 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H]1CCOC[C@@H]1CBr 2072947476 OXVFXEZWDINCQW-YOEHRIQHSA-N 473.389 2.172 50 10 JEGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1C[C@H]2CCCC[C@@]2(CBr)C1 2216721490 AVBWJYUSQRCBCP-AUUYWEPGSA-N 455.374 2.500 50 10 JEGE Cc1sc(CN(C)C(=O)CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)c(B(O)O)c1C 2283925585 BQSFBGDKBNAFSW-UHFFFAOYSA-N 489.447 2.030 50 10 JEGE O=C(NNC(=O)[C@@H]1COc2ccccc2C1)c1nn(Cc2ccccc2)c(=O)c2ccccc12 15716975 GPJFYXVQKOETBU-IBGZPJMESA-N 454.486 2.457 50 10 JEGE O=C(COc1ccccc1)NNc1ncnc(NNC(=O)c2ccccc2Cl)c1[N+](=O)[O-] 40658286 GYLHSSVPNDOCJG-UHFFFAOYSA-N 457.834 2.317 50 10 JEGE Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1NNC(=O)c1cccnc1 101571068 NLGGJPPZLLKEHP-UHFFFAOYSA-N 463.285 2.040 50 10 JEGE COc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)NCc3ccccc3)c(OC)c2)cc1 254743614 KCLQCRFGGOKRCP-UHFFFAOYSA-N 490.516 2.488 50 10 JEGE O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12)NNC(=O)c1cc(F)ccc1Br 728546646 DSOHQSSOIIEDSN-KCQAQPDRSA-N 459.341 2.075 50 10 JEGE CS(=O)(=O)N(CC(=O)NN=Cc1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccccc1Cl 1084328434 KDOPFHSLXLZTLL-UHFFFAOYSA-N 495.945 2.001 50 10 JEGE C=CCOc1ccc(C(=O)NNC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)cc1OC 1622153569 KQEFVCQAHUFPSX-UHFFFAOYSA-N 452.555 2.147 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@@H]1C[C@H](CBr)CO1 2039820027 XWXDRNZABQHKMF-CABCVRRESA-N 473.389 2.172 50 10 JEGE C[C@@H](Cl)CN1CCCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CC1 2176855386 GJPUELOFFOSUON-QGZVFWFLSA-N 456.008 2.418 50 10 JEGE C[C@@H](c1nscc1B(O)O)N(C)C(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21 2248885121 JMRHDFFOKYIQMA-HNNXBMFYSA-N 479.367 2.271 50 10 JEGE CC(C)(C)OC(=O)NC[C@@](C)(CI)OC1CCN(S(C)(=O)=O)CC1 2249180782 MDNWRMRYGXLHSP-OAHLLOKOSA-N 476.377 2.145 50 10 JEGE C[C@H](c1cc(B(O)O)cs1)N(C)C(=O)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2256675852 UBEHUUMIUZRNAR-CRAIPNDOSA-N 462.377 2.057 50 10 JEGE CN(C[C@]1(Oc2nccc(B(O)O)c2F)CCCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C 2286405101 OUFNIWAGGRQJEE-XMMPIXPASA-N 473.354 2.181 50 10 JEGE COc1ccc(OCC(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2C)cc1 13978856 BKKFTGQTMLDFOM-UHFFFAOYSA-N 482.356 2.246 50 10 JEGE O=C(NNc1ncnc(NNC(=O)c2ccccc2[N+](=O)[O-])c1[N+](=O)[O-])c1ccc(Cl)cc1 40657792 VBOCBSCRPRHMNL-UHFFFAOYSA-N 472.805 2.460 50 10 JEGE Nc1c(NNC(=O)c2ccc(F)cc2)ncnc1N1CCN(Cc2ccc3c(c2)OCO3)CC1 40784641 DZMXFSFLMXOEAV-UHFFFAOYSA-N 465.489 2.006 50 10 JEGE CC(=O)NNC(=O)[C@H](C)Sc1n[nH]c(N/N=C/c2ccccc2OCc2ccccc2)n1 59880833 GEJKALRPLIRCFC-OFJBCHTGSA-N 453.528 2.478 50 10 JEGE Cc1cccc(NC(=O)CN2C(=O)C(=NNC(=O)C(=O)Nc3ccccc3C(=O)O)c3ccccc32)c1 254385964 HMWODSBWQMYVHQ-UHFFFAOYSA-N 499.483 2.138 50 10 JEGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3Br)n2N)ccc1O 1083941362 HFMZOFTYLZTSLP-UHFFFAOYSA-N 477.344 2.378 50 10 JEGE Cc1ccn2c(C(=O)NNC(=O)Cn3cnc4sc5c(c4c3=O)CC[C@@H](C)C5)c(C)nc2c1 1860770064 RFNOVQWFAQOYMD-GFCCVEGCSA-N 464.551 2.309 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H]2CC[C@@H](Br)[C@H]2C1 1942098335 NDKMRVVDDDQJTF-XOKHGSTOSA-N 455.374 2.498 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCOC[C@H]1CCBr 2029213876 ZMTGYMXYZJXJHX-OAHLLOKOSA-N 473.389 2.269 50 10 JEGE CN1CCN(c2nc3ccccn3c(=O)c2C=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)CC1 2296545979 DRVMXAZWDLEBEY-UHFFFAOYSA-N 469.954 2.438 50 10 JEGE CCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)C=Cc2ccc(OCC)cc2)cc1 2313892235 BMKSSNUEPVKINY-UHFFFAOYSA-N 471.535 2.376 50 10 JEGE COc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)cc1Cl 1084575232 PGGYRRNMZJZKFD-GOSISDBHSA-N 488.928 2.111 50 10 JEGE C/C(=C/c1ccc(Br)o1)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 1538534767 MLDWLJLLLJKASE-LUAWRHEFSA-N 456.318 2.157 50 10 JEGE CC(=O)N[C@H](C(=O)NNC(=S)NCCc1cccs1)c1cccc(Br)c1 1587706629 PPUMPZJUJJSLDA-HNNXBMFYSA-N 455.403 2.426 50 10 JEGE Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1C(=NNC(=O)c1ccccn1)CCC2 1772747600 RBOLXRNIXUZFBA-UHFFFAOYSA-N 476.449 2.436 50 10 JEGE COC[C@@]1(CNS(=O)(=O)N2CCC(Br)CC2)CCCN1C(=O)OC(C)(C)C 2162588604 HYRVZHANKKOQRO-KRWDZBQOSA-N 470.430 2.096 50 10 JEGE C[C@@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)C=Cc4ccc([N+](=O)[O-])s4)c(=O)c23)C1 2325893280 CVQSEPPBSBMNPN-LLVKDONJSA-N 473.536 2.413 50 10 JEGE CCOc1ccc(NC(=O)/C(C#N)=C\c2c(N3CCC(C(N)=O)CC3)nc3ccccn3c2=O)cc1 4472197 KROYSAWUCGHTEK-SDXDJHTJSA-N 486.532 2.341 50 10 JEGE COC(=O)[C@H](I)CNS(=O)(=O)c1cc(Br)sc1C 234613928 INELPVBZSNIDPV-ZCFIWIBFSA-N 468.132 2.074 50 10 JEGE C#Cc1cccc(NC(=S)NNC(=O)c2cc(S(=O)(=O)N3CCC[C@@H](C)C3)cn2C)c1 1176937229 HXPADQXMHSTQCX-OAHLLOKOSA-N 459.597 2.058 50 10 JEGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NNc2cc(Cl)nc(C)n2)cc1 1451686665 JLXJVSQWVFPFRD-INIZCTEOSA-N 451.936 2.328 50 10 JEGE CC(=O)Nc1cccc(C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)c1 1860772376 XBOIWUKQWCCCOY-LBPRGKRZSA-N 453.524 2.317 50 10 JEGE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ccc(CBr)cc2)[C@H](S(C)(=O)=O)C1 2192675438 DMNMHOSVNDMFPW-HUUCEWRRSA-N 461.378 2.344 50 10 JEGE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)Nc2ccc(Cl)c(B(O)O)c2)C1 2268792994 HXEQBEFQHBFIHM-UHFFFAOYSA-N 474.750 2.412 50 10 JEGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ncc(B(O)O)cc1F 2301722700 MFLXVVVWRGEALA-OAQYLSRUSA-N 463.274 2.156 50 10 JEGE COC(=O)c1cc(Nc2ncnc(NNC(=O)Cc3ccccc3)c2[N+](=O)[O-])cc(C(=O)OC)c1 40594119 ZNOPHCDJJFODJV-UHFFFAOYSA-N 480.437 2.387 50 10 JEGE C[C@@H](NC(=O)COc1ccc(C=NNC(=O)CC(=O)NCc2cccnc2)cc1)c1ccccc1 1084039319 HUXGHPOEQFRKII-LJQANCHMSA-N 473.533 2.494 50 10 JEGE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NNC(=O)CN2CCCc3ccccc32)cc1 1310130725 HUEOLSOBPQPGFM-UHFFFAOYSA-N 457.556 2.099 50 10 JEGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NNCC(F)(F)C(F)(F)F)cc1 1631485653 LJIMCKTZKWASED-CQSZACIVSA-N 457.421 2.251 50 10 JEGE C=CCn1c(S)nc2cc(C(=O)NNC(=O)CSc3ccccc3OC)ccc2c1=O 1638491237 NDQUONIUVZRTNV-UHFFFAOYSA-N 456.549 2.433 50 10 JEGE CC(C)(C)OC(=O)NCc1ncc(NS(=O)(=O)N2CCC(Br)CC2)cn1 2134936102 QQQCWCJGFJYRTF-UHFFFAOYSA-N 450.359 2.017 50 10 JEGE CCOc1ccc(C=CC(=O)NC(=S)NNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 2314109237 UMEGBLCRYNLMJA-IBGZPJMESA-N 466.563 2.169 50 10 JEGE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H](C1)N(S(=O)(=O)N1CCC(Br)CC1)C2 2332122867 GRZMUSLDTBEJEM-BPLDGKMQSA-N 452.415 2.468 50 10 JEGE CCOc1ccc(-c2c(C(=O)NN=C(C)c3ccc(OC)c(OC)c3)nnn2-c2nonc2N)cc1 254497621 GOWHCBZWNSSJHR-UHFFFAOYSA-N 492.496 2.469 50 10 JEGE C[C@@H](NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)c1nnc(CBr)s1 2017514930 MLSZWTDHIVOBMR-SNVBAGLBSA-N 473.374 2.100 50 10 JEGE COc1cc(C(=O)NC(=S)NNC(=O)CCC(=O)Nc2cc(C)ccc2C)cc(OC)c1OC 12569866 XGNYKYGCNBWJND-UHFFFAOYSA-N 488.566 2.384 50 10 JEGE CC(C)(C)C(=O)NNC(=O)CSc1n[nH]c(N/N=C/c2cccc(Br)c2)n1 20832020 ZVQQMHJNLFCJLY-QGMBQPNBSA-N 454.354 2.299 50 10 JEGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 40991211 XVTSTTDZTGTUIJ-OBGWFSINSA-N 461.474 2.338 50 10 JEGE C[C@H](C(=O)NNC(=O)c1cc(Br)cn1C)n1c(S)nnc1-c1cccs1 109546824 ROXKYEICRWXMFT-MRVPVSSYSA-N 455.363 2.419 50 10 JEGE C[C@H](NC(=O)COc1ccc(C=NNC(=O)C(=O)NCc2ccncc2)cc1)c1ccccc1 725412520 OLXPNIUWTFHTGR-SFHVURJKSA-N 459.506 2.104 50 10 JEGE CC(=O)O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 1083818430 RDLYSPHPIQHWLE-ZSXDVEMLSA-N 462.568 2.091 50 10 JEGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccc(Cl)cc2)cc1)NC[C@H]1CCCO1 1084067784 URBBXGHXQHERGJ-LJQANCHMSA-N 458.902 2.103 50 10 JEGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)NCC1(F)CCC(CBr)CC1 2008941266 YWWQZSKDBVKROQ-UHFFFAOYSA-N 461.353 2.495 50 10 JEGE CC(C)(C)OC(=O)N1CC2(CCC[C@@H]2NS(=O)(=O)N2CCC(Br)CC2)C1 2106298076 JNHFVZWYRIICID-AWEZNQCLSA-N 452.415 2.470 50 10 JEGE COCCN(C=C(C#N)C(=O)NC(c1ccccc1)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 2324825768 ICUCTZMRSZPKNS-JOCHJYFZSA-N 453.564 2.435 50 10 JEGE CC(C)COc1cccc(C(=O)NC(=S)NNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 13623594 RENWEYFRXCECHE-LJQANCHMSA-N 468.579 2.406 50 10 JEGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NC[C@@H]2CCN(C(C)C)C2)cc1 749598274 HZHGFVQMYLWODT-HRVJUDJTSA-N 464.570 2.188 50 10 JEGE C=CCOc1cccnc1C(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 1540578659 QMDRXTDXBDUXAU-UHFFFAOYSA-N 455.478 2.423 50 10 JEGE CC(=O)N1C[C@@H](C(=O)NN=c2cc(C(F)(F)F)[nH]c(-c3ccncc3)n2)Oc2ccccc21 1648580871 WSKKZHVCAVUKKF-INIZCTEOSA-N 458.400 2.237 50 10 JEGE O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)NNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1860770522 LWFHOWALEQHMBU-UHFFFAOYSA-N 485.503 2.043 50 10 JEGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1C[C@@]2(F)CCC[C@@]2(CBr)C1 1907611266 LHIFNONEHFNFRJ-MSOLQXFVSA-N 459.337 2.202 50 10 JEGE COc1ccc(CCNC(=O)C(C#N)=CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1OC 2324719283 ZGQHWAJLUCHNDG-UHFFFAOYSA-N 478.549 2.316 50 10 JEGE COc1ccc(C(=O)NNC(=S)NC(=O)COc2ccccc2)cc1I 12502146 CDLUOLKYXYBOHJ-UHFFFAOYSA-N 485.303 2.014 50 10 JEGE O=C(NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1I 13622956 LOQHMYWTBAKZKH-AWEZNQCLSA-N 463.275 2.101 50 10 JEGE Cc1ccccc1C(=O)NNc1ncnc(NNC(=O)c2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-] 40657703 AJAUKVGYSDDMKP-UHFFFAOYSA-N 452.387 2.115 50 10 JEGE O=C(NNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1)c1cccc(OC(F)F)c1 728485335 WQJCJNSVQYWLCJ-AWEZNQCLSA-N 459.496 2.354 50 10 JEGE CC(C)C(=O)NNC(=O)[C@H](C)Sc1n[nH]c(NN=Cc2cccc(Br)c2)n1 1084146897 BZHLRHHZSINUQI-JTQLQIEISA-N 454.354 2.297 50 10 JEGE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@]3(C)C[C@@H]3Br)CC2)cc1 1684131449 NLQDZABLGSPRRU-WMZOPIPTSA-N 458.378 2.079 50 10 JEGE COc1ccc(C(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1[N+](=O)[O-] 1860771586 AUUSXJUHPFBDES-LLVKDONJSA-N 471.495 2.276 50 10 JEGE Cc1nc(S(=O)(=O)N2C[C@H](Br)[C@@H](Br)C2)c(Br)n1C 2075314106 QJFCBAGLJZCSRA-BQBZGAKWSA-N 465.993 2.022 50 10 JEGE CC(C)(C)OC(=O)N1C[C@H]2CCC[C@]2(NS(=O)(=O)N2CCC(Br)CC2)C1 2106306058 VIWSLVJXFZCYNY-DYVFJYSZSA-N 452.415 2.470 50 10 JEGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)N/N=C/c1ccc(C(=O)OC)cc1 20805876 PUJACAXFAZOEIL-ZMOGYAJESA-N 490.549 2.286 50 10 JEGE Cc1cc(=O)n(C(C)C)c(=S)n1C(=O)C1=C[C@H]([N+](=O)[O-])[C@H](Br)C([N+](=O)[O-])=C1 100844749 PXZZBYBVSQVLIA-GWCFXTLKSA-N 459.278 2.418 50 10 JEGE C[C@@H](C(=O)N1CCCCC1)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 101052151 GZTZQEQSWBKTJG-LTXOWMNZSA-N 462.182 2.165 50 10 JEGE O=C(Cc1ccccc1)N/N=C1\C(=O)N(CN2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)c2ccccc21 136579977 LDQYDOLMVGOLCU-AACPTHKXSA-N 481.556 2.335 50 10 JEGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NNC(=O)Cc2ccccc2C)cc1 1435476586 LKHGZENRAVNDRR-OAQYLSRUSA-N 457.552 2.131 50 10 JEGE O=C(N[C@H]1CC12CC(NS(=O)(=O)CI)C2)OCc1ccccc1 1884247392 HEDVDAMLOHXKQX-OWYJLGKBSA-N 450.298 2.146 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@@](NS(=O)(=O)CI)(C(F)(F)F)C1 1910108594 RMSISJVVAVRTBZ-JTQLQIEISA-N 458.240 2.240 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCSC[C@@H]1CBr 2000538613 HZVFPCMLQTTWBC-YVEFUNNKSA-N 479.393 2.153 50 10 JEGE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CN(CCCCCI)CCN2C1=O 2214707759 FWSNJEZUOKHIDD-UONOGXRCSA-N 451.349 2.402 50 10 JEGE Cc1sc2[nH]c(CCC(=O)NNC(=O)c3cc(Br)cn3C)nc(=O)c2c1C 109075769 GSBLIOKACAPUAC-UHFFFAOYSA-N 452.334 2.096 50 10 JEGE COc1ccc(-c2cnc(CCC(=O)NNC(=O)C3CCN(c4ncccn4)CC3)o2)cc1 728845837 NFIJUEVJJBQCOP-UHFFFAOYSA-N 450.499 2.137 50 10 JEGE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNc3cc(F)cc(Cl)c3)c2)CC1 1641075449 YALRPFIAFJTCKL-UHFFFAOYSA-N 454.911 2.089 50 10 JEGE CCc1ccc(S(=O)(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1860770654 QTOGJNWFDZHRFH-CYBMUJFWSA-N 460.581 2.155 50 10 JEGE COc1ccc(CCC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1865851914 KHTNRDJTQQSLLD-AWEZNQCLSA-N 454.552 2.372 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1C[C@H](CBr)[C@@H]2C[C@H]12 2048005880 QCVLMFOOXDLKLE-OEONQQFZSA-N 473.364 2.350 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2CCO[C@]2(CBr)C1 2231356415 UXDVBBONMALEIR-VBKZILBWSA-N 485.400 2.124 50 10 JEGE Cn1cc(C(=O)NNC(=O)CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c2ccccc21 10736994 YLRYRDAQOBELNV-UHFFFAOYSA-N 484.456 2.207 50 10 JEGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)cc1 1197184953 YNIVIDWMKOAACT-OAHLLOKOSA-N 452.467 2.158 50 10 JEGE C[C@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)c4ccc(F)c(F)c4F)c(=O)c23)C1 1860770128 UTYVRWOLLUSONT-VIFPVBQESA-N 450.442 2.461 50 10 JEGE CN(C[C@H](Cl)COCc1ccccc1)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 1916333965 AOWIQVUGLYFLMY-KRWDZBQOSA-N 450.944 2.368 50 10 JEGE O=C(OCc1ccccc1)N1CCC2(CC1)C[C@H](NS(=O)(=O)CCOCCCl)CO2 2192329223 BNICWUOEUAVURT-SFHVURJKSA-N 460.980 2.122 50 10 JEGE CN(C[C@H]1C[C@@H](Br)C1)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O 2197731951 FZCDPFWUOJLVGG-HZSPNIEDSA-N 467.426 2.431 50 10 JEGE OB(O)c1ccc(=NCC2(N(Cc3ccccc3)Cc3ccccc3)COC2)[nH]c1C(F)(F)F 2240318567 ZILNMTNSXSAYLM-UHFFFAOYSA-N 471.288 2.085 50 10 JEGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(B(O)O)cc1F 2248967565 ZXQTZCXJDBYWSE-HNNXBMFYSA-N 462.286 2.049 50 10 JEGE CCc1cccc2c(C=C(C#N)C(=O)NC[C@H]3CCCO3)cn(CC(=O)N3CCOCC3)c12 2313623912 HZBCAWOSAPQXEU-OAQYLSRUSA-N 450.539 2.265 50 10 JEGE CC(=O)N1CCN(C=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1 2324599210 QWVACQCVJGLKAC-UHFFFAOYSA-N 457.578 2.492 50 10 JEGE COc1ccccc1/C=C/C=NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 252512150 NGBIOINTSVGCPL-WYWALMBJSA-N 457.552 2.464 50 10 JEGE CCCOc1ccc(-c2c(C(=O)NN=Cc3ccc(OC)c(OC)c3)nnn2-c2nonc2N)cc1 254625072 WVCZDEVCLWSWTO-UHFFFAOYSA-N 492.496 2.469 50 10 JEGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NCCN2CCC[C@H](C)C2)cc1 920853431 CQDZZUPUUMZPNA-HJHGFDQJSA-N 464.570 2.189 50 10 JEGE CC(C)n1cc(C=NNc2nc(SCC(=O)NNC(=O)c3ccc(Cl)cc3)n[nH]2)cn1 1084149247 ZROALVQNRULBGH-UHFFFAOYSA-N 461.939 2.235 50 10 JEGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(N3C(=O)CCC3=O)c(C)c2)cc1 1200515044 BHFFFXZMKWAMGK-OAHLLOKOSA-N 452.467 2.471 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1COC(C)(C)[C@@H]1Br 2078732587 IKGNSDWZZGQUNF-LSDHHAIUSA-N 473.389 2.169 50 10 JEGE CC(C)(C)OC(=O)N1CC(C)(C)OC[C@H]1CNS(=O)(=O)N1CCC(Br)CC1 2194654831 XKHJHRSHLYDVLW-CQSZACIVSA-N 470.430 2.095 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NCC1(CBr)CC(F)(F)C1 2247751322 WFXGURMELAKEDG-UHFFFAOYSA-N 465.316 2.403 50 10 JEGE CC(C)(C)OC(=O)NC[C@@]1(Oc2ccc(C=O)c(B(O)O)c2)CCCN(Cc2ccccc2)C1 2365051103 XTAAPHZWEBGEIH-VWLOTQADSA-N 468.359 2.117 50 10 JEGE COc1cc(C(=O)NNC(=S)NC(=O)c2ccc(Br)o2)cc(OC)c1OC 12570816 RDDFBKJUFIYDGT-UHFFFAOYSA-N 458.290 2.017 50 10 JEGE COc1ccc(C(=NNC(=O)NN)[C@H](c2ccc(OC)cc2)[C@]2(O)C(=O)Nc3ccccc32)cc1 254762082 BZGMUFGLOQKNLN-OFVILXPXSA-N 475.505 2.205 50 10 JEGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NNC(=O)Cc2ccccc2C)cc1 1435476584 LKHGZENRAVNDRR-NRFANRHFSA-N 457.552 2.131 50 10 JEGE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1 1562197994 YUOSQJQFYSYZHP-CQSZACIVSA-N 450.492 2.252 50 10 JEGE CCOc1ccc(N2C[C@@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1 1872961619 MKCYQVGYEMEQHY-ROUUACIJSA-N 451.527 2.215 50 10 JEGE CC1(C)OCCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)[C@@H]1CBr 2255967105 XRXWQBSBGZJIKA-MRXNPFEDSA-N 473.389 2.267 50 10 JEGE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)Nc1ccc(F)c(F)c1B(O)O 2268628638 KPCVMVUXHMDXHZ-HNNXBMFYSA-N 464.274 2.083 50 10 JEGE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@H](B(O)O)C2)cc1I 2319676231 CLSBFVHHXAIPIK-NSHDSACASA-N 460.077 2.327 50 10 JEGE C[C@@H](NC(=O)/C(C#N)=C\N(CCN(C)C)[C@H]1CCS(=O)(=O)C1)C12CC3CC(CC(C3)C1)C2 243253245 KQXQFYQAQXQWTN-DZRJQFROSA-N 462.660 2.166 50 10 JEGE CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)O[C@H](C)C2 730514235 FBNPZHYSVIACLK-WPGHFRTFSA-N 493.969 2.274 50 10 JEGE C/C(=C/C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1OC(F)F 1540367888 ITOSCQWZMQPJDL-QBFSEMIESA-N 453.467 2.403 50 10 JEGE C#CC[C@H](COC)NC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1 1565156356 HZUKVUPVGXLSLV-GOSISDBHSA-N 458.540 2.087 50 10 JEGE CC[C@H](C)[C@@H](CI)NS(=O)(=O)c1cc(Br)nn1C 2081241308 OPKGEBDFDYMVMH-JGVFFNPUSA-N 450.140 2.311 50 10 JEGE COC(=O)[C@H](CBr)NS(=O)(=O)c1cc(Br)ccc1Br 2343383945 JXEVQOGMSDFJBF-QMMMGPOBSA-N 479.972 2.426 50 10 JEGE COC(=O)C1CCN(c2ncnc(NNC(=O)c3ccc(Br)cc3)c2[N+](=O)[O-])CC1 40657914 PUCBISUFBQCLCG-UHFFFAOYSA-N 479.291 2.294 50 10 JEGE CC(=NNC(=O)Cc1ccccn1)c1ccc(S(=O)(=O)NCc2ccc(C(=O)O)cc2)cc1 729150553 ZZDKAPYEUXFIOJ-UHFFFAOYSA-N 466.519 2.341 50 10 JEGE Cn1cc(C(=O)NNC(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21 730769458 KBFCFPQSLAIKOF-QGZVFWFLSA-N 453.886 2.498 50 10 JEGE O=C(Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1)NN=Cc1ccccc1 1084113119 DFGVRRNJDXXXDF-UHFFFAOYSA-N 455.412 2.300 50 10 JEGE Cn1ncc(C(=O)N2C[C@@H](CBr)OC3(CCC3)C2)c1I 2165761454 WNFOUNUVGJIGGN-SECBINFHSA-N 454.106 2.183 50 10 JEGE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@@H]3NS(=O)(=O)N1CCC(Br)CC1 2169566037 WTCNKUHSLOKDRZ-RWBGONCASA-N 464.426 2.324 50 10 JEGE CCN(C[C@@](C)(CI)O[C@@H]1CCN(S(C)(=O)=O)C1)C(=O)OC(C)(C)C 2257828188 BPWDBSNNMXKNIK-CZUORRHYSA-N 490.404 2.488 50 10 JEGE COCCN(C[C@H](C)Br)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2259757983 QAUHGHNNCARNNK-SCLBCKFNSA-N 479.368 2.072 50 10 JEGE CC(C)CCOc1cccc(C(=O)NC(=S)NNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)c1 13630277 USWVOGVNOWFOPY-KRWDZBQOSA-N 472.567 2.389 50 10 JEGE COc1ccccc1OCC(=O)NNC(=S)NC(=O)CCCC(=O)OCCCc1ccccc1 14016381 OBNLUWSJTOKWSD-UHFFFAOYSA-N 487.578 2.442 50 10 JEGE Cc1c(C(=O)N2CCN(C)CC2)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 40814590 DWJPMDTZMVXSIF-HKOYGPOVSA-N 453.499 2.283 50 10 JEGE C[C@@H]1CCc2c(sc3ncn(CC(=O)NNS(=O)(=O)c4cccc(Cl)c4)c(=O)c23)C1 1860770784 XERIIDLHZWPYCE-LLVKDONJSA-N 466.972 2.246 50 10 JEGE COc1cccc(N2C[C@@H](C(=O)N3CCN(C(=O)C(C#N)=Cc4ccccc4)CC3)CC2=O)c1 2085374814 AAIPDCMRNKHGIF-NRFANRHFSA-N 458.518 2.326 50 10 JEGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2scc(B(O)O)c2C1 2299774176 NQMKHQQMPXNFFG-OAHLLOKOSA-N 476.363 2.240 50 10 JEGE COc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2C)cc1COc1ccc(F)cc1F 2945942 GVVKIGBYQIREOY-YCPBAFNGSA-N 484.423 2.171 50 10 JEGE COc1ccccc1OCC(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1C 12571744 MVLXRYLWAZGHOL-UHFFFAOYSA-N 482.356 2.246 50 10 JEGE Cc1ccc(C(=O)NNc2ncnc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)c2N)cc1 40784215 TWGBLWLAELQNNB-UHFFFAOYSA-N 461.526 2.175 50 10 JEGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccc(Br)cc3)n2N)ccc1O 1084586930 FKRMVBCODZCMHQ-UHFFFAOYSA-N 477.344 2.378 50 10 JEGE C#Cc1cccc(NC(=S)NNC(=O)[C@@](C)(Cc2ccc(OC)c(OC)c2)NC(C)=O)c1 1633773832 WQNZBODTWZYMGF-HSZRJFAPSA-N 454.552 2.140 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@H]2CCC[C@@]2(CBr)C1 1997171358 UJXNYIUSHABDMA-AUUYWEPGSA-N 455.374 2.500 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1[C@H]2CC[C@H]1[C@H](F)[C@@H](Br)C2 2016207561 RNTGEKIDEDTMEP-VCOSZWKGSA-N 459.337 2.341 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCO[C@@H](CCBr)C1 2052697845 XJEICXRSSLJJML-AWEZNQCLSA-N 473.389 2.124 50 10 JEGE CN(C)C[C@@H](Br)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316817596 NNTIYZDAUZOOFQ-HNNXBMFYSA-N 474.421 2.088 50 10 JEGE COc1ccc(C(=O)NCC(=O)N/N=C2/C(=O)N(Cc3ccc4c(c3)OCO4)c3ccccc32)cc1 27519892 FEVQMWOVKFQBOT-RMLRFSFXSA-N 486.484 2.221 50 10 JEGE CCN(CC)c1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCCC[C@@H]2C)cc1 254483577 GSLPHYCGZAVLFU-INIZCTEOSA-N 480.577 2.217 50 10 JEGE CC(=NNC(=O)c1cc(Br)cn1C)c1ccc(OCC(=O)N2CCOCC2)cc1 767329319 OXYUHKZHEOWFEG-UHFFFAOYSA-N 463.332 2.179 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)N2CCC(Br)CC2)C2(CC2)C1 2129398772 XNRFMGSCAIYZHN-CQSZACIVSA-N 452.415 2.470 50 10 JEGE Cc1cc(B(O)O)c(C)cc1NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2268656335 VZODNNGTNOJQNG-UTKZUKDTSA-N 456.348 2.420 50 10 JEGE CCOc1cc(C=NNC(=O)CCc2c(C)nc(O)nc2O)cc(Br)c1OC 2323719666 QCQHJWKNXCMCFI-UHFFFAOYSA-N 453.293 2.449 50 10 JEGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)NCCN3CCOCC3)c(C)c21 40813111 BCZLTSRLKUTTDT-NLRVBDNBSA-N 454.527 2.129 50 10 JEGE O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 100958714 RVSHGXUNFSJRPQ-PBGVMVHZSA-N 456.371 2.166 50 10 JEGE O=C(c1ccc(I)c(O)c1)N1CCN2C[C@H](Br)C[C@H]2C1 405290621 ZUIVVWOWUXWYGY-MNOVXSKESA-N 451.102 2.290 50 10 JEGE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1140533934 LYVOFHRTGGFYKB-HOTGVXAUSA-N 452.552 2.088 50 10 JEGE COc1ccc(N2CCCC2=O)cc1S(=O)(=O)NC(=O)Oc1ccc([N+](=O)[O-])cc1F 1858616868 YXHZYHGGGKLGFS-UHFFFAOYSA-N 453.404 2.347 50 10 JEGE O=C(NC[C@@H]1CCCN(S(=O)(=O)CI)C1)OCc1ccccc1 1881745723 PAHURCNRCLIJSM-AWEZNQCLSA-N 452.314 2.347 50 10 JEGE CN(C)[S@@](=O)(=NC(=O)[C@H]1C[C@H](Br)C1)N1CCN(C(=O)OC(C)(C)C)CC1 1887760850 QMJJASLOVAVKPL-VXLFJPSPSA-N 453.403 2.099 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2C[C@@]2(CBr)C1 1942489936 RHRPMCKNUUOIMH-ORAYPTAESA-N 455.374 2.355 50 10 JEGE CO[C@@H]1C[C@@H](CBr)N(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2029232889 MTJVLFQXBGFMBT-LSDHHAIUSA-N 473.389 2.267 50 10 JEGE CCS(=O)(=O)CCN(C)S(=O)(=O)c1cc(CBr)sc1Br 2179790030 YRIJTMHPXRDQMM-UHFFFAOYSA-N 469.242 2.461 50 10 JEGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)c1nscc1B(O)O 2301721995 FBCRTXMAJPCZIQ-SPLOXXLWSA-N 479.367 2.317 50 10 JEGE COc1ccc(CCCC(=O)NCC(=O)NN=Cc2ccc(I)o2)cc1 252622907 OFMQEOIFIPSJRN-UHFFFAOYSA-N 469.279 2.482 50 10 JEGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCC(Br)CC2)CC(F)(F)C1 2106772070 CQPQZVAEGYLMPN-UHFFFAOYSA-N 462.357 2.279 50 10 JEGE CC(C)(C)OC(=O)NCC1(Oc2cc(B(O)O)c(Cl)cn2)CCN(Cc2ccccc2)CC1 2277610184 JVIOHDMKSBJZOB-UHFFFAOYSA-N 475.782 2.353 50 10 JEGE CN(C)C[C@H](Br)CN(C)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338844551 HIIQBLUOWQEKMS-INIZCTEOSA-N 488.448 2.430 50 10 JEGE C=C[C@@H]1OCC[C@H]1C(=O)NNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 1628330276 WMBKQEIZIOOIQY-RTWAWAEBSA-N 457.552 2.168 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H]2[C@H](CBr)[C@@H]2C1 2010993780 VSPOIBCKEMWBRI-BJWYYQGGSA-N 455.374 2.355 50 10 JEGE CN1CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)[C@H](CCBr)C1 2138078761 VVTMIYSPONRLJX-MRXNPFEDSA-N 486.432 2.184 50 10 JEGE Cn1ncc(C(=O)N2CC3(CCOCC3)[C@@H]2CBr)c1I 2381131372 MSRJADVWMALWGZ-JTQLQIEISA-N 454.106 2.041 50 10 JEGE COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)NNC(=O)c1cn(C)c2ccccc12 10736357 IXYQZMKWGHROPD-SFHVURJKSA-N 454.552 2.500 50 10 JEGE Cc1cc2c(c(=O)n1CCCN1CCOCC1)[C@@]1(C(=O)N(C(C)C)c3ccccc31)C(C#N)=C(N)O2 39919037 SLODSCAEHCVGSI-MHZLTWQESA-N 489.576 2.006 50 10 JEGE COC[C@@H](CCBr)NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703994811 YQPVYSHZIWZENU-CYBMUJFWSA-N 461.378 2.028 50 10 JEGE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 728215422 DYMWTXBXERKTHK-JOCHJYFZSA-N 471.583 2.041 50 10 JEGE CC(C)OCCCn1c(NNC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)nc2ccccc2c1=O 751890897 FHOMRNJJOYNFDJ-HTAPYJJXSA-N 459.572 2.109 50 10 JEGE COC(=O)[C@@H](Br)CN(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C 1955887111 BBCDCPXMBSSOMM-ZDUSSCGKSA-N 468.389 2.274 50 10 JEGE C[C@](CBr)(NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)C(F)(F)F 1977137958 FPJZQWQIVFSBKF-CQSZACIVSA-N 457.268 2.308 50 10 JEGE CC(C)(C)OC(=O)NC[C@](C)(CI)OC1CCN(S(C)(=O)=O)CC1 2249180781 MDNWRMRYGXLHSP-HNNXBMFYSA-N 476.377 2.145 50 10 JEGE O=C(NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1)c1ccc(Cl)cc1B(O)O 2267350939 QFFCJZHGXVAEQR-UHFFFAOYSA-N 464.758 2.221 50 10 JEGE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ncc(B(O)O)c(C)n1 2268651882 QWNUPCBHNVEZKB-IQMFZBJNSA-N 488.353 2.357 50 10 JEGE C[C@@H](NC(=O)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1)c1cc(B(O)O)cs1 2268792978 HTVSXJIAXUXOSN-MRXNPFEDSA-N 474.388 2.059 50 10 JEGE O=C(N/N=C/C=N/NC(=O)c1cccc(N2CCCC2=O)c1)c1cccc(N2CCCC2=O)c1 13550460 NZAKOKDYSZZRNJ-KOZSXFMUSA-N 460.494 2.072 50 10 JEGE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(/C#N)C(=O)N[C@@H]1CCS(=O)(=O)C1 33365700 IAROLLMCTXKTEU-TXQCQQFXSA-N 494.529 2.014 50 10 JEGE Nn1c(SCC(=O)N/N=C/c2cc(Br)ccc2O)nnc1-c1cccc([N+](=O)[O-])c1 58990169 ZAJQUVQUPZWPLY-DNTJNYDQSA-N 492.315 2.278 50 10 JEGE O=C(COc1ccccc1C=NNC(=O)C(=O)NCc1ccc2c(c1)OCO2)Nc1ccccc1 254607592 LDZNWXBIKWXUOX-UHFFFAOYSA-N 474.473 2.199 50 10 JEGE CCOc1ccc(C(C)=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCCC[C@@H]2C)cc1 254818885 LYBCYQWNMPPMCS-AWEZNQCLSA-N 467.534 2.160 50 10 JEGE CC(=O)N1CCN(Cc2ccccc2NC(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)CC1 1562632789 IYJALGBFRRHTLD-MRXNPFEDSA-N 457.506 2.110 50 10 JEGE CCNC(=S)NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 1858960279 APYLCHPANYPHRF-UHFFFAOYSA-N 456.477 2.195 50 10 JEGE Nc1cc(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(B(O)O)c1 1887515631 XWFOAYQLEGBWEH-UHFFFAOYSA-N 457.339 2.015 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@@]1(CBr)CCCOC1 2029232373 HWSSBKXZEXYUJH-IBGZPJMESA-N 473.389 2.174 50 10 JEGE CC(C)(C)[Si](C)(C)O[C@H](C(=O)NCCC(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)NCCN 2060419398 RCHPTYKUWJTCAI-DLBZAZTESA-N 491.778 2.433 50 10 JEGE O=S(=O)(c1cc(CBr)ccn1)N1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 2179813943 XGMVKJIADLIUEX-ROUUACIJSA-N 452.374 2.250 50 10 JEGE C[C@@H](NC(=O)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21)c1nscc1B(O)O 2248897616 VBXRBLRLUCIOSH-CQSZACIVSA-N 479.367 2.317 50 10 JEGE C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 27497473 DHDARANJNBMTIF-LSHDLFTRSA-N 451.378 2.101 50 10 JEGE COc1ccc(N2CCN(c3ncnc(NNC(=O)COc4ccccc4)c3[N+](=O)[O-])CC2)cc1 40611242 CHJVLPOWXKMEDG-UHFFFAOYSA-N 479.497 2.242 50 10 JEGE Cc1c(C(=O)NN2CCN(C)CC2)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772750845 ACSFEVCLWRMFSO-UHFFFAOYSA-N 460.538 2.499 50 10 JEGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CC[C@H](Br)C(F)(F)CC1 1937572952 MPYBUUMPFOCISI-ZDUSSCGKSA-N 451.289 2.107 50 10 JEGE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]2CC[C@H]1N2S(=O)(=O)N1CCC(Br)CC1 2117662290 BYKRKEHNFVPHCH-NWANDNLSSA-N 452.415 2.468 50 10 JEGE CC1(C[S@](C)(=O)=NS(=O)(=O)N2CCC(Br)CC2)CN(C(=O)OC(C)(C)C)C1 2192789353 WMFHCBVBHFUJFB-SANMLTNESA-N 488.470 2.445 50 10 JEGE CC1(C)O[C@H]2O[C@H]([C@H](O)CO)[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H]2O1 195999338 ZCDXDKZPZSMWNP-XNBWIAOKSA-N 458.627 2.161 50 10 JEGE CC[C@H](C)N1C(=O)c2ccc(C(=O)NNC(=O)c3sc(-c4cnccn4)nc3C)cc2C1=O 1865757562 JEJKOQMASSDQOH-NSHDSACASA-N 464.507 2.378 50 10 JEGE Cc1sc(CN(C)C(=O)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)c(B(O)O)c1C 2283963259 NPJCBRFTIHDZHJ-LJQANCHMSA-N 489.447 2.028 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC2(CC[C@@H](CBr)O2)C1 2336734865 FDJIKDIKDYXCAZ-AWEZNQCLSA-N 485.400 2.267 50 10 JEGE CCN(CC)C(=O)CN1C(=O)/C(=N/NC(=O)Cn2cnc3cc(C)c(C)cc32)c2ccccc21 59166149 SSPTZGMBAODUQX-ZZIIXHQDSA-N 460.538 2.389 50 10 JEGE C[C@H]1CO[C@@H](CBr)CN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703963614 BORKICGIQTWCFK-KBPBESRZSA-N 473.389 2.123 50 10 JEGE O=C(COC(=O)c1cc2c(Br)cccc2[nH]1)NNC(=O)[C@@H]1COc2ccccc2O1 728344702 NLJCFZQAGTZDRJ-KRWDZBQOSA-N 474.267 2.075 50 10 JEGE COc1cc(C(=O)NN=Cc2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)cc(OC)c1OC 1084648212 IRWKAOYAVBIOTP-UHFFFAOYSA-N 457.487 2.136 50 10 JEGE C/C(=C\C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1OC(F)F 1540367887 ITOSCQWZMQPJDL-ACCUITESSA-N 453.467 2.403 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@@H](OCCBr)C1 2046753232 ZWWGBOXIYLTSAL-OAHLLOKOSA-N 473.389 2.269 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1CC[C@H]2C[C@]21CBr 2068384626 PVLBSQBLGGTACA-CJCLCCARSA-N 473.364 2.494 50 10 JEGE CC(C)(C)OC(=O)NCCC1(Oc2ccc(B(O)O)cn2)CCN(Cc2ccccc2)CC1 2231661221 NBVSOSUNXDIZEX-UHFFFAOYSA-N 455.364 2.090 50 10 JEGE Cc1cc(CN(C)C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)sc1B(O)O 2268634702 JOZLEPJASZIKSR-LPHOPBHVSA-N 476.404 2.193 50 10 JEGE Cc1cc(B(O)O)c(CNC(=O)C2(NC(=O)OCC3c4ccccc4-c4ccccc43)CC2)s1 2302678831 IMCDISLWVMMRET-UHFFFAOYSA-N 476.363 2.424 50 10 JEGE Cc1ccc(S(=O)(=O)NNc2ncnc(NNC(=O)c3ccccc3Cl)c2[N+](=O)[O-])cc1 40658283 DTZMAOUBAIWJRH-UHFFFAOYSA-N 477.890 2.409 50 10 JEGE O=C(N/N=C/c1ccccc1O)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 59462036 XVLWITYJKCLJQR-WYMPLXKRSA-N 465.388 2.118 50 10 JEGE C/C(N)=C(/C#N)C(=O)COC(=O)c1cc(Br)cc(S(=O)(=O)N2CCC(C)CC2)c1 101091255 RHWUSVORFDKVFQ-GHRIWEEISA-N 484.372 2.352 50 10 JEGE CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CN(S(=O)(=O)N1CCC(Br)CC1)C2 2136672429 IPQTZVWANNSZBF-DYVFJYSZSA-N 452.415 2.327 50 10 JEGE C[C@H](c1cscc1B(O)O)N(C)C(=O)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2256671164 OPJDCQHEMPDTLE-DNVCBOLYSA-N 462.377 2.057 50 10 JEGE C[C@H](O)CN(CCNC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(CBr)cc1 2269958507 DWEXBNBTKCWVPI-ZDUSSCGKSA-N 451.383 2.478 50 10 JEGE CN(C)C[C@@H](CBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316823062 XJCTWQNOZUSZCN-OAHLLOKOSA-N 474.421 2.088 50 10 JEGE OB(O)c1cc(F)cnc1Sc1cc(I)ccc1Br 2338313155 NHAZWILPULOFSV-UHFFFAOYSA-N 453.867 2.419 50 10 JEGE Cc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1I 13629443 MMLBBHANGLIMMF-CYBMUJFWSA-N 467.263 2.002 50 10 JEGE CCCN(CCC)Cc1c(C(=O)N/N=C/c2ccc(N(CC)CC)cc2O)nnn1-c1nonc1N 20037860 JBKLKVGOKBOAMP-AFUMVMLFSA-N 498.592 2.170 50 10 JEGE CN1CCC(N(C)c2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2N)CC1 40795575 OCRGPXGZKYLILC-UHFFFAOYSA-N 454.362 2.418 50 10 JEGE CO[C@H](CCBr)CNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2002979758 UAKAFKIHHZTTPU-CQSZACIVSA-N 461.378 2.172 50 10 JEGE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](NS(=O)(=O)N3CCC(Br)CC3)CC[C@H]2C1 2106294935 BDSUUVWPLAPEND-CFVMTHIKSA-N 452.415 2.326 50 10 JEGE C[C@@H](NC(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)c1ccc(B(O)O)cc1 2268719015 XGZGDWZOJYBRQH-DYESRHJHSA-N 456.348 2.044 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@@H]2CC[C@@H](CBr)O[C@@H]2C1 2273534281 OQWOCEJYQVMOHN-RLFYNMQTSA-N 485.400 2.267 50 10 JEGE CC(C)(CCl)C(=O)N1CCN(c2nc(CN3CCN(Cc4ccccc4)CC3)cc(=O)[nH]2)CC1 35926328 DLRYYHTVLCDRQT-UHFFFAOYSA-N 487.048 2.001 50 10 JEGE Nc1nonc1-n1nnc(CN2CCCC2)c1C(=O)NN=Cc1cccc(OCc2ccccc2)c1 254430714 YVBHMFJJHPWYNJ-UHFFFAOYSA-N 487.524 2.171 50 10 JEGE O=C(NNS(=O)(=O)c1ccc(N2C[C@H](C(=O)O)CC2=O)cc1)c1c(Cl)cccc1Cl 727796031 BWOWFOGQPDBOLP-SNVBAGLBSA-N 472.306 2.054 50 10 JEGE O=C(CCCCC(=O)NN=Cc1cc([N+](=O)[O-])ccc1O)NN=Cc1cc([N+](=O)[O-])ccc1O 1083915861 DAHABLPKAGTTDE-UHFFFAOYSA-N 472.414 2.075 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1[C@H]2CC[C@H]1[C@@H](F)[C@@H](Br)C2 2016207559 RNTGEKIDEDTMEP-DDWPSWQVSA-N 459.337 2.341 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)Nc2ccccc2B(O)O)C1 2268648905 FUEHEVCPANGUGJ-XMMPIXPASA-N 454.332 2.149 50 10 JEGE Cc1cc(B(O)O)c(C)cc1NC(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2268701335 ODMVUAQLTAKIBP-LJQANCHMSA-N 456.348 2.422 50 10 JEGE Cc1cc(B(O)O)sc1CNC(=O)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 2283990342 BVRUZMZPTWXKLK-XMMPIXPASA-N 488.415 2.197 50 10 JEGE COc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OC)c(Br)c2)cc1 13979277 SRJGAOZOQUFSBA-UHFFFAOYSA-N 468.329 2.181 50 10 JEGE O=C(CN1C(=O)/C(=N\NC(=O)c2ccccc2O)c2ccccc21)Nc1ccc([N+](=O)[O-])cc1 15774682 RJIYHLQNADYHPJ-DAFNUICNSA-N 459.418 2.420 50 10 JEGE Cn1cc(C(=O)NNC(=O)c2ccc3c(=O)n(-c4ccccc4)c(=O)[nH]c3c2)c2ccccc21 16235594 PRBQIJQQLYOVME-UHFFFAOYSA-N 453.458 2.246 50 10 JEGE O=C(NNC(=O)c1c[nH]c2ccccc2c1=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 32605280 ABQLBVSHUBDZHR-UHFFFAOYSA-N 452.426 2.404 50 10 JEGE CC(C)CC(=O)N1CCN(C(=O)CCCCCNC(=O)NNC(=O)c2cccc3cccnc23)CC1 727477882 QAMYPYMMXAYNFB-UHFFFAOYSA-N 496.612 2.456 50 10 JEGE CO[C@H]1C[C@@H](Br)CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 2046665883 WLYKJJVQUYGWMV-KGLIPLIRSA-N 473.389 2.123 50 10 JEGE Cn1nc(Br)c(Br)c1C(=O)N1C[C@H]2C[C@@]1(CBr)CO2 2338678668 FUQYZBYYZOXZKY-KSBSHMNSSA-N 457.948 2.324 50 10 JEGE CCOC(=O)C1=NO[C@H](Cc2c(C=NNC(=O)Cc3ccccc3)c3c(c(OC)c2OC)OCO3)C1 254488494 VFWILDBXYNNRHT-MRXNPFEDSA-N 497.504 2.376 50 10 JEGE Nc1nonc1-n1nnc(C(=O)NN=Cc2ccccc2[N+](=O)[O-])c1CSc1ccccc1 254617637 QQTBZYYJLWDMQL-UHFFFAOYSA-N 465.455 2.197 50 10 JEGE CCN(CC)S(=O)(=O)c1ccc(C(=O)NNc2ccc(C3=NNC(=O)CC3)cc2OC)cc1 1858079669 MGYICEXMVGAPIM-UHFFFAOYSA-N 473.555 2.097 50 10 JEGE O=S(=O)(NCc1cccc(I)c1)N1CCC(Br)CC1 2119249001 ZDARPWYJILJWNK-UHFFFAOYSA-N 459.147 2.485 50 10 JEGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)C[C@@H]1CCS(=O)(=O)C1 2293202143 IRZZRGNODOSQKY-INIZCTEOSA-N 458.492 2.242 50 10 JEGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)c1 2296720294 KMSJAUWCODVNQC-SFHVURJKSA-N 478.530 2.314 50 10 JEGE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)CC(C)(C)CI 2306818532 LIHYUZSCLDQWOY-UHFFFAOYSA-N 453.365 2.459 50 10 JEGE C[C@H](C(=O)NNS(=O)(=O)c1ccc(F)cc1)n1cnc2sc3c(c2c1=O)CCCC3 1860770420 HMFJHYGDGNABPP-LLVKDONJSA-N 450.517 2.047 50 10 JEGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)c2ccc3c(c2)C(=O)N(Cc2ccccn2)C3=O)C1 1873777904 WIUUTNAWXSBHEF-SFHVURJKSA-N 484.516 2.268 50 10 JEGE CC(C)(C)OC(=O)NC[C@@H](NS(=O)(=O)CI)C(F)(F)C(F)(F)F 1983327712 PMAXVJVXGCDZRR-ZCFIWIBFSA-N 482.209 2.389 50 10 JEGE CC(C)(C)OC(=O)NC[C@H](CNS(=O)(=O)N1CCC(Br)CC1)C(F)(F)F 2106295932 MYPAMVFQPRANBJ-SNVBAGLBSA-N 468.336 2.383 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)N2CCC(Br)CC2)C(F)(F)C1 2264449736 DYRKPPHCZUPQTJ-LBPRGKRZSA-N 462.357 2.325 50 10 JEGE Cn1cc(C(=O)NCCSSCCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2267126565 MLPKLPRXZHUCTE-UHFFFAOYSA-N 486.469 2.355 50 10 JEGE CCN(CC)c1ccc(NC(=O)C(C)(C)CCl)cc1S(=O)(=O)NCCN1CCOCC1 34919655 QFSDLYQVGGWKAA-UHFFFAOYSA-N 475.055 2.347 50 10 JEGE CCOC(=O)c1ccc(OCC(=O)NNC(=O)c2cccc(I)c2)cc1 100449629 SQYFHKDPYXGBFQ-UHFFFAOYSA-N 468.247 2.308 50 10 JEGE CN(C)c1ccc(N2/C(=N/C=C(/C#N)C(=O)NCc3ccco3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 229030427 YKPRLWIICIYNIW-SLAPNIQSSA-N 485.591 2.144 50 10 JEGE COc1ccc(C=NNC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(C(=O)O)cc2)c(OC)c1 1084641106 NBJVUPCGSVKUEM-IBGZPJMESA-N 454.508 2.345 50 10 JEGE CC1(C)CN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@@H]1Br 2000539490 KZCMJWNALNXGAZ-KBXCAEBGSA-N 461.353 2.446 50 10 JEGE CC[C@@H](C)[C@@H](CI)NS(=O)(=O)c1cc(Br)nn1C 2081241307 OPKGEBDFDYMVMH-HTQZYQBOSA-N 450.140 2.311 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1COC2(CCC2)[C@@H]1Br 2141559554 VPZFDRWAIQGPBQ-JKSUJKDBSA-N 485.400 2.313 50 10 JEGE N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)OCC(=O)COC(=O)/C(C#N)=C/c1ccc2c(c1)OCO2 4482547 LQABPPCAHLNNIQ-BBAUMNPJSA-N 488.408 2.314 50 10 JEGE COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(C)cc1 9696112 FRTPJUWGCUQPAI-UHFFFAOYSA-N 452.330 2.481 50 10 JEGE O=C(NNC(=S)NC(=O)c1ccc(Br)o1)c1ccc(NC(=O)C2CC2)cc1 12570871 LLVNTHUDAKQCFL-UHFFFAOYSA-N 451.302 2.340 50 10 JEGE N#C/C(=C/c1c(N2CCC3(CC2)OCCO3)nc2ccccn2c1=O)S(=O)(=O)c1ccccc1 34990561 BMIZNATXASTWOF-MNDPQUGUSA-N 478.530 2.376 50 10 JEGE Cc1ccccc1C(=O)NNc1ncnc(NNC(=O)c2ccccc2[N+](=O)[O-])c1[N+](=O)[O-] 40657702 ZHEYBCOJQPCXGK-UHFFFAOYSA-N 452.387 2.115 50 10 JEGE C[C@H](NC(=O)C(=O)OC(C)(C)C)C(=O)NNC(=O)OCC1c2ccccc2-c2ccccc21 138809512 JXHIFMNNRRRLOZ-AWEZNQCLSA-N 453.495 2.403 50 10 JEGE CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H](OC(C)=O)[C@H]1OC(C)=O 1083805704 RDLYSPHPIQHWLE-BCYZHJNNSA-N 462.568 2.091 50 10 JEGE CN(C)c1ccc(/C=N/NC(=O)CCOCCC(=O)N/N=C/c2ccc(N(C)C)cc2)cc1 1615949965 SIPSBVGTYNKXHR-RPCRKUJJSA-N 452.559 2.216 50 10 JEGE C[C@@H](C(=O)NNS(=O)(=O)c1ccccc1[N+](=O)[O-])n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860770378 GMTWXOJOVRTLQA-NEPJUHHUSA-N 491.551 2.062 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H]1CCC[C@@H]1Br 2000545362 RTMACAMUANQUJG-QITLCBANSA-N 461.353 2.494 50 10 JEGE CO[C@H]1C[C@@H](Br)CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2046663181 FQPFVSXLJNRRAD-CABCVRRESA-N 473.389 2.267 50 10 JEGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2c(N3CCC(C(N)=O)CC3)nc3ccccn3c2=O)cc1 2297462386 PDKJNWFPNRRSDO-UHFFFAOYSA-N 477.546 2.043 50 10 JEGE COC[C@]1(CBr)C=CCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2326722961 ATPDPOFDOYZWGD-LJQANCHMSA-N 471.373 2.045 50 10 JEGE COCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(OC)cc1 14662485 KGGUODHAWYDHCV-UHFFFAOYSA-N 453.289 2.323 50 10 JEGE COCCCNC(=O)/C(C#N)=C\c1c(N2CCN(c3ccccc3)CC2)nc2c(C)cccn2c1=O 33897691 MJQYTNMSCPXLMS-UZYVYHOESA-N 486.576 2.389 50 10 JEGE CC(=NNC(=O)CN1CCCc2ccccc21)c1ccc(S(=O)(=O)NCCCN(C)C)cc1 917536024 ORPIQWCUZKSGNC-UHFFFAOYSA-N 471.627 2.210 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2C[C@]2(CBr)C1 2000544847 QFQISAMVXTUHNG-UUWFMWQGSA-N 459.337 2.057 50 10 JEGE O=S1(=O)C[C@H](NS(=O)(=O)c2cc(Cl)c(Br)s2)[C@@H](Br)C1 2121369459 SWZJITSQNUCSLJ-NJGYIYPDSA-N 473.617 2.003 50 10 JEGE C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)c(F)c1B(O)O 2268635379 QILVVPFKMBDFLU-YJYMSZOUSA-N 464.274 2.082 50 10 JEGE Cc1cc(B(O)O)sc1CN(C)C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2268654746 DAQOUMDVRWTLBP-UZLBHIALSA-N 476.404 2.193 50 10 JEGE COc1cc(C(=O)NNC(=S)NC(=O)COc2ccccc2Cl)cc(OC)c1OC 13976891 YKRXDVQCGHTXBQ-UHFFFAOYSA-N 453.904 2.080 50 10 JEGE Cc1ccc(N2C(=O)/C(=C/NNC(=O)Cn3nnc(-c4ccccc4)n3)c3ccccc3C2=O)cc1 912745464 GFLIZXOBDSAUKJ-PXLXIMEGSA-N 479.500 2.497 50 10 JEGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NCCN2CCC[C@H](C)C2)cc1 920853437 CQDZZUPUUMZPNA-OFBHVFLISA-N 464.570 2.189 50 10 JEGE O=C(Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1)NN=Cc1ccc2c(c1)OCO2 1084111889 HAXXCVYPAJUUSL-UHFFFAOYSA-N 499.421 2.028 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCCSCCBr 1899597364 MPIARBOFCMHKSZ-INIZCTEOSA-N 467.382 2.058 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2C[C@H](Br)C[C@H]2C1 2065403923 QWBSJBQXUQPITD-HLBODDRNSA-N 473.364 2.446 50 10 JEGE CC(C)(C)OC(=O)N1CCC[C@]2(NS(=O)(=O)N3CCC(Br)CC3)C[C@H]2C1 2106295004 CCVPVSTUELYQPA-GUYCJALGSA-N 452.415 2.470 50 10 JEGE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)N2CCC(Br)CC2)C[C@@H]1C(F)F 2106776142 FDMRGWASVZMMOO-NWDGAFQWSA-N 462.357 2.181 50 10 JEGE O=C(c1cc(I)ccc1O)N1C[C@@H]2COC[C@@]2(CBr)C1 2234578497 GIMJBMFWSFSOIU-YMTOWFKASA-N 452.086 2.480 50 10 JEGE COc1ccc(CCNC(=O)C(C#N)=CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1OC 2324721867 HEKQYMKFJHSVNK-UHFFFAOYSA-N 498.605 2.085 50 10 JEGE OB(O)c1cc(OCc2ccc(I)c(Br)c2)ncc1Cl 2377621670 JUJBODRZVZLAHM-UHFFFAOYSA-N 468.281 2.361 50 10 JEGE O=C(NNC(=O)c1c[nH]c2ccc(Cl)cc2c1=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 32605576 DSRMVTCUOXANCS-UHFFFAOYSA-N 488.953 2.431 50 10 JEGE COc1nc(Oc2cccc(/C=C(/C#N)c3nn(CCO)c(N)c3C#N)c2)nc(N2CCCCC2)n1 33926522 PZEMKRWOXTXQIU-ATVHPVEESA-N 487.524 2.370 50 10 JEGE COc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2N)c1O 58990123 WIZNAMFQTWSUEQ-ZVBGSRNCSA-N 477.344 2.378 50 10 JEGE CCCS(=O)(=O)CCC(CBr)(CBr)[C@@H]1CCS(=O)(=O)C1 233257856 CIECDTJHAYMSBE-LLVKDONJSA-N 454.246 2.412 50 10 JEGE C[C@@H]1[C@H](OC(=O)CCC(=O)NCCCC(=O)O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@H]1[C@@]24OO3 504065057 UFYPJMIBQJQHGU-MXTXKPIBSA-N 469.531 2.499 50 10 JEGE biogenic COc1ccc(CNC(=O)C(=O)NN=Cc2ccc(OCC(=O)NCc3ccccc3)cc2)cc1 1084122067 VPLZXINGEZISHD-UHFFFAOYSA-N 474.517 2.157 50 10 JEGE CC(=O)c1ccc(S(=O)(=O)CC(=O)NNC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1F 1463593292 BCIFAOMNODLCEJ-OAHLLOKOSA-N 450.488 2.034 50 10 JEGE C[C@@H](c1cc(B(O)O)cs1)N(C)C(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21 2243685186 OSSOXTUIADYBCF-HNNXBMFYSA-N 464.352 2.486 50 10 JEGE CC(C)(C)OC(=O)N(CCNC(=O)c1cc(C(F)(F)F)ccc1B(O)O)OCc1ccccc1 2282259873 GOCQACMNUOCYFO-UHFFFAOYSA-N 482.264 2.484 50 10 JEGE CN1CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)[C@@H](CCCl)C1 2364201905 METRHNWGMXANLV-KRWDZBQOSA-N 456.008 2.418 50 10 JEGE CC1CCN(Cc2c(C(=O)N/N=C/c3ccccc3C(F)(F)F)nnn2-c2nonc2N)CC1 3633184 UBBDCQUPLOLKQC-KIBLKLHPSA-N 477.451 2.247 50 10 JEGE COc1ccc(C(=O)NC(=S)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1Br 12570327 DXGSZOOIQDYJBC-UHFFFAOYSA-N 453.274 2.315 50 10 JEGE COCCOc1ccc(C(=O)NNC(=O)COc2ccc(OC)cc2)cc1Br 14661412 ZJAGFLOPGPLTRL-UHFFFAOYSA-N 453.289 2.323 50 10 JEGE COc1ccc(Br)cc1C=NNc1nc(S[C@H](C)C(=O)NNC(=O)C2CCC2)n[nH]1 1084115141 OCRAHQQEEURTIC-SNVBAGLBSA-N 496.391 2.450 50 10 JEGE C=CCn1nc(C)c(C=NNC(=O)CSc2nnc(Cn3nnc4ccccc43)n2CC=C)c1C 1084492366 IYYLANNHUCZMRV-UHFFFAOYSA-N 490.597 2.499 50 10 JEGE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNc3nc4ccccc4n3C)CC2)cc1 1638668552 FHEMSSPGTCJENT-UHFFFAOYSA-N 455.540 2.320 50 10 JEGE COc1ccc(/C=C/C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1OC 1860770941 COQOWZXRWRQMLR-CSKARUKUSA-N 468.535 2.215 50 10 JEGE O=C(O)c1cc(S(=O)(=O)NC[C@@H]2C[C@@H]2Br)ccc1I 1887792830 DSACPIFKBOEXCM-RCOVLWMOSA-N 460.087 2.051 50 10 JEGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(CCBr)CC1CC1 2000531991 GKBSHUDETLPHDE-GOSISDBHSA-N 461.353 2.448 50 10 JEGE CC(C)(C)OC(=O)NC[C@@H](NS(=O)(=O)N1CCC(Br)CC1)C(F)(F)F 2044255885 WIKXRTKNLGAGRN-SNVBAGLBSA-N 454.309 2.136 50 10 JEGE CC(C)(C)OC(=O)N[C@H]1CN(S(=O)(=O)N2CCC(Br)CC2)C[C@H]1C(F)(F)F 2163050414 JQERSRNSMPRZHH-NEPJUHHUSA-N 480.347 2.478 50 10 JEGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ncc(B(O)O)s1 2257377623 ASMIPALKUINSTA-OAQYLSRUSA-N 493.394 2.393 50 10 JEGE CC1(C)OCCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)[C@@H]1CBr 2267679432 JEIIUTCXIWEVNP-DNVCBOLYSA-N 491.379 2.215 50 10 JEGE CCCC(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1Br 12503565 YDBQBENZJSGCCO-UHFFFAOYSA-N 453.156 2.412 50 10 JEGE O=C(NNc1ncnc(N2CCC(C(=O)O)CC2)c1[N+](=O)[O-])c1ccccc1Br 40658402 YIHYRBZWCCNNGF-UHFFFAOYSA-N 465.264 2.205 50 10 JEGE CCN(CC)c1c(/C=N/Nc2nnc(S[C@H](C)C(=O)NNC(C)=O)[nH]2)c(C)nn1-c1ccccc1 253568512 LHVWDCXVEQCFPL-LJGKHRNASA-N 498.617 2.239 50 10 JEGE COc1cc(C(=O)NCC(=O)NN=C(C)/C=C/c2ccc3c(c2)OCO3)cc(OC)c1OC 254311527 RJBONOZDMIECIM-WHHPBKKGSA-N 455.467 2.376 50 10 JEGE CSc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN(C)c2ccccc2)cc1 254615098 SAJCRKGYGQSTOU-UHFFFAOYSA-N 463.527 2.355 50 10 JEGE C[C@H]1CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C[C@@H](CBr)O1 703965625 RDYOAAKLGXIXIO-UONOGXRCSA-N 473.389 2.123 50 10 JEGE C=CCOc1ccc(C=NNC(=O)Cn2c(=O)c3c(ncn3CC)n(Cc3ccccc3)c2=O)cc1 916330884 DEJIGAJUJBWCGE-UHFFFAOYSA-N 486.532 2.143 50 10 JEGE COC(=O)c1ccc(C=NNC(=O)C2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)cc1 1565519427 RCMUSDVHAOZYNP-UHFFFAOYSA-N 453.495 2.493 50 10 JEGE N#CSc1ccc(NC(=O)[C@@H](CO)NC(=O)c2ccc(N3CCN(C(=O)C4CC4)CC3)cc2)cc1 1866900474 YIAZZSWPDHQZRV-JOCHJYFZSA-N 493.589 2.048 50 10 JEGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1C[C@]2(F)CCC[C@]2(CBr)C1 2007700701 LHIFNONEHFNFRJ-ZWKOTPCHSA-N 459.337 2.202 50 10 JEGE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](CCNS(=O)(=O)N2CCC(Br)CC2)O1 2181160570 ZDJUQYSAMOLMPJ-UKRRQHHQSA-N 470.430 2.095 50 10 JEGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)Cc1csc(B(O)O)c1 2243685417 UJUCVELYZVXEIL-OAHLLOKOSA-N 464.352 2.314 50 10 JEGE Cc1sc(B(O)O)cc1S(=O)(=O)NCCCN(Cc1ccccc1)Cc1ccccc1 2247882870 WEPFRITXKMUAEE-UHFFFAOYSA-N 458.414 2.107 50 10 JEGE Cc1sc(B(O)O)c(C(=O)NCC2(N(Cc3ccccc3)Cc3ccccc3)COC2)c1C 2267439489 RQGAINZKIVCJHZ-UHFFFAOYSA-N 464.396 2.246 50 10 JEGE Cc1cc(B(O)O)c(C)cc1NC(=O)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2268613092 ODMVUAQLTAKIBP-IBGZPJMESA-N 456.348 2.422 50 10 JEGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1ccccc1B(O)O 2317613630 PJHBFSYJUHEJDU-VWLOTQADSA-N 472.350 2.342 50 10 JEGE CCOc1cc(C=NNC(=O)CCNc2nnc(O)nc2O)cc(Cl)c1OCC(C)C 2323188654 NGMUQMLZGBHOIA-UHFFFAOYSA-N 452.899 2.322 50 10 JEGE Cn1cc(I)c(CC(CCl)(CCl)[C@H]2CCS(=O)(=O)C2)n1 2367586583 NPBWIHPAHKIMDH-VIFPVBQESA-N 451.157 2.466 50 10 JEGE Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccccc2Br)c1-c1ccc([N+](=O)[O-])cc1 1957139 XBDQIXHTEIXVPX-ZVBGSRNCSA-N 498.257 2.334 50 10 JEGE CCOC(=O)C1CCN(c2ncnc(NNC(=O)c3ccc(Br)cc3)c2N)CC1 40752596 SJPAUCSAXMGHIF-UHFFFAOYSA-N 463.336 2.358 50 10 JEGE COC(=O)c1ccc(/C=N/NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(O)c(OC)c2)cc1 59384255 FVAPRYXHDXZIGR-YRJNPLERSA-N 454.508 2.131 50 10 JEGE COC(=O)c1ccc(C=NNC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)cc1 254763098 JRNIRVNYGOWECB-UHFFFAOYSA-N 455.492 2.407 50 10 JEGE CN(C1CCN(C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)CC1)S(C)(=O)=O 746841603 AVZUVGKSTTUXCO-XDJHFCHBSA-N 466.567 2.253 50 10 JEGE CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)NN=Cc2ccccc2)c(OC)c1 1084170628 HFRFNYOTFFDKRS-JOCHJYFZSA-N 466.494 2.415 50 10 JEGE C=CCOc1cn(-c2ccccc2)nc1C(=O)NNC(=O)c1nn(CC)c(=O)c2ccccc12 1618234718 MYSPBKIPTYQOEX-UHFFFAOYSA-N 458.478 2.242 50 10 JEGE COc1ccc(OC)c(/C=C/C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 1860769956 NCMXMGIGBGIJQE-VZUFXWRPSA-N 482.562 2.461 50 10 JEGE CC(C)C[C@@H](C(=O)N1CCC[C@H](C(=O)NNc2ccccn2)C1)N1C(=O)c2ccccc2C1=O 1873777326 FJRADMLJCYYUOW-PXNSSMCTSA-N 463.538 2.474 50 10 JEGE CC(C)(C)OC(=O)N[C@H]1CN(S(=O)(=O)CI)C[C@H]1C(F)(F)F 1910106314 HXJFXOGIRIDEIY-SFYZADRCSA-N 458.240 2.096 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCOC2(CCC(Br)CC2)C1 2133495710 NITMKXPBFMKPTO-UHFFFAOYSA-N 485.400 2.411 50 10 JEGE C=CCOc1ccc(C=C2C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1OC 2314620993 XZRXIVIKEGTDHV-UHFFFAOYSA-N 454.479 2.432 50 10 JEGE Cc1cc(Br)ccc1OCC(=O)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 13623050 VYPKHUCMDQSEDH-INIZCTEOSA-N 460.328 2.332 50 10 JEGE O=C(NNC(=O)[C@H]1COc2ccccc2C1)c1nn(Cc2ccccc2)c(=O)c2ccccc12 15716978 GPJFYXVQKOETBU-LJQANCHMSA-N 454.486 2.457 50 10 JEGE Cc1ccccc1C(=O)NNc1ncnc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1N 40784371 BDRGAZDKPCDHDL-UHFFFAOYSA-N 461.526 2.175 50 10 JEGE O=C(COc1ccc(C=NNC(=O)C(=O)NC[C@@H]2CCCO2)cc1)Nc1ccccc1Cl 725444492 RSXIINLWSHBUFR-KRWDZBQOSA-N 458.902 2.103 50 10 JEGE C#Cc1cccc(NC(=S)NNC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)c1 1644011555 KNELSXHMFRKWOY-UHFFFAOYSA-N 457.309 2.044 50 10 JEGE C=CCS(=O)(=O)CCNC(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 1679365680 MQXODRUNEKXYRX-UHFFFAOYSA-N 453.524 2.084 50 10 JEGE Cc1ccc(S(=O)(=O)NN=C2CCCc3oc(C(=O)NNC(=O)c4ccncc4)c(C)c32)cc1 1772749073 PSCHOIOJTMTLJN-UHFFFAOYSA-N 481.534 2.385 50 10 JEGE Cc1c(N2C[C@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)cccc1[N+](=O)[O-] 1872962274 SBBBMAGAQRYKRA-IAGOWNOFSA-N 466.498 2.033 50 10 JEGE C[C@@H](NC(=O)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)c1cscc1B(O)O 2256642395 YUJLTGAHTKAGLI-WBVHZDCISA-N 462.377 2.105 50 10 JEGE CCOCCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)c1 10276474 YRUGZMMNZUDNEU-UHFFFAOYSA-N 470.551 2.400 50 10 JEGE Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NNC(=O)c3cn(C)c4ccccc34)C2)cc1 14886459 FCWNRTQZBVTYPB-KRWDZBQOSA-N 454.552 2.349 50 10 JEGE Cc1sc2ncn(CCC(=O)NNC(=O)c3cc(Br)cn3C)c(=O)c2c1C 22414946 RXVFIYBQBRDBIK-UHFFFAOYSA-N 452.334 2.027 50 10 JEGE CCn1c(NNC(=O)[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)nc2ccccc2c1=O 107925957 VGRLBLUYIDBLDY-KRWDZBQOSA-N 451.502 2.480 50 10 JEGE O=C(CNC(=O)c1ccc2c(c1)OCO2)NN=C1C(=O)N(CCc2ccccc2)c2ccccc21 254814331 JJBPOLRYFHEHFY-UHFFFAOYSA-N 470.485 2.255 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2[C@H](CBr)[C@@H]2C1 2010993693 SDKUUXBJZKFDQM-MUJYYYPQSA-N 455.374 2.211 50 10 JEGE CC(C)(C)OC(=O)NCCCC[S@@](C)(=O)=NS(=O)(=O)N1CCC(Br)CC1 2110309923 QEACUKCUWYCSBM-RUZDIDTESA-N 476.459 2.493 50 10 JEGE COCc1cc(C)n(CC(=O)NN=Cc2cc([N+](=O)[O-])ccc2N2CCCCC2)c(=O)c1C#N 254485301 PKBLLHBQPSBIKC-UHFFFAOYSA-N 466.498 2.224 50 10 JEGE COc1ccccc1Nc1nc2sc(C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)cc2s1 728204219 YTZKPDNXLVQAQC-SNVBAGLBSA-N 466.566 2.306 50 10 JEGE COc1ccc(N(CC(=O)NN=Cc2ccccc2Br)S(C)(=O)=O)cc1OC 1084536574 QYSHEIQQSBETKD-UHFFFAOYSA-N 470.345 2.383 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCC2(CC1)C[C@H]2CBr 1944048328 JDNOHIJQYNZKQY-AWEZNQCLSA-N 455.374 2.500 50 10 JEGE CC(C)(C)OC(=O)N[C@@H]1CCN(S(=O)(=O)N2CCC(Br)CC2)CC1(F)F 2106778640 FRXBOZBRHJNVRH-GFCCVEGCSA-N 462.357 2.325 50 10 JEGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCO[C@@H]2C[C@@H](CCl)C[C@@H]21 2199783935 VKKCEIFWFCVINQ-JCGIZDLHSA-N 454.976 2.357 50 10 JEGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1 13630254 VLFAZYHKOWVMOK-QGZVFWFLSA-N 472.567 2.389 50 10 JEGE COC(=O)[C@@H](I)CNS(=O)(=O)c1cc(C)c(Br)s1 234613958 UFVBVFVYPDJEKT-LURJTMIESA-N 468.132 2.074 50 10 JEGE CC(=O)Nc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CSc2ccccc2)cc1 254799507 XLEMAVMGUDELQC-UHFFFAOYSA-N 477.510 2.247 50 10 JEGE O=C(O)COc1ccc(C=NNC(=O)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1 254845312 AQVKTNLPQSLHAN-UHFFFAOYSA-N 466.494 2.301 50 10 JEGE CC(C)(C)c1ccc(C(=O)NNC(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)cc1 729229902 FXGGGBCRLNAXMP-UHFFFAOYSA-N 452.559 2.225 50 10 JEGE CCOc1ccccc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)NCc2ccco2)cc1 1084649027 ALLJYBXYIPVPOM-UHFFFAOYSA-N 464.478 2.462 50 10 JEGE O=C(Cc1ccncc1)NCCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1859006774 BMSOLZHUHHHBHL-UHFFFAOYSA-N 484.490 2.369 50 10 JEGE O=C(NC[C@H](NS(=O)(=O)CI)C(F)(F)F)OCc1ccccc1 1881749878 MVPNYQQJXDLEPI-JTQLQIEISA-N 466.219 2.156 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@H]2CCN(S(=O)(=O)N3CCC(Br)CC3)C[C@@H]21 2106778209 BCCGAWZZWLDAAW-HIFRSBDPSA-N 452.415 2.422 50 10 JEGE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)Nc2ccc(Cl)cc2B(O)O)C1 2268791922 BAGQLAXDSBTCSI-UHFFFAOYSA-N 474.750 2.412 50 10 JEGE N#CC(=Cc1c(N2CCC(C(N)=O)CC2)nc2ccccn2c1=O)S(=O)(=O)c1ccc(Cl)cc1 2296546007 GHPZCWLFNNNIMD-UHFFFAOYSA-N 497.964 2.388 50 10 JEGE Cn1ncc(C(=O)NCC(F)(F)C(F)(F)CBr)c1I 2336535526 AULFZJCEDAVYIB-UHFFFAOYSA-N 457.991 2.420 50 10 JEGE O=C(N/N=C1/C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21)c1ccccc1[N+](=O)[O-] 59151590 GETQLYRWLABIDJ-YYADALCUSA-N 483.440 2.372 50 10 JEGE Cc1ccc(OCC(=O)NNC(=O)CCCCC(=O)NNC(=O)COc2ccc(C)cc2C)c(C)c1 100096399 PQQSIRAXWXSKSK-UHFFFAOYSA-N 498.580 2.233 50 10 JEGE C=CCOc1ccc(/C=C2/C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1OC 101305649 XZRXIVIKEGTDHV-CPNJWEJPSA-N 454.479 2.432 50 10 JEGE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNc3ccc(Cl)cc3F)c2)CC1 1558660075 CHWLEXHNXIOHEF-UHFFFAOYSA-N 454.911 2.089 50 10 JEGE COc1ccc(Cl)cc1N1C[C@@H](C(=O)N2CCC[C@H](C(=O)NNc3ccccn3)C2)CC1=O 1873777342 GEIATAKNIUVXIH-HOTGVXAUSA-N 471.945 2.478 50 10 JEGE CC(C)(C)OC(=O)N1C[C@H](NC(=O)[C@H](Br)C2CCCC2)[C@@H](S(C)(=O)=O)C1 1877659860 PWGBPKFPBUFKCA-MELADBBJSA-N 453.399 2.089 50 10 JEGE Cc1nc(I)c(NC(=O)CBr)c(I)n1 1885127574 PPSOAGUWUORYNQ-UHFFFAOYSA-N 481.857 2.328 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@H]2[C@H](C1)[C@@H]2CBr 1944583813 RQQSRXPOGOFEBJ-XYPHTWIQSA-N 455.374 2.355 50 10 JEGE CO[C@@]1(CBr)CCCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2108232001 UZMLJKULNLTODZ-RTBURBONSA-N 491.379 2.217 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)Nc2ccccc2B(O)O)C1 2268648904 FUEHEVCPANGUGJ-DEOSSOPVSA-N 454.332 2.149 50 10 JEGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 2314796080 WMAQJKZGJSBJFC-UHFFFAOYSA-N 473.463 2.137 50 10 JEGE COc1cccc(/C=N/NC(=O)CCCSc2nnc(-c3cccc([N+](=O)[O-])c3)n2N)c1O 58990087 QVRUQAMHCCRALU-WSDLNYQXSA-N 471.499 2.304 50 10 JEGE CCOc1ccc(NC(=S)NNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)cc1 749264376 ASMZQEKYWWXNSP-OAHLLOKOSA-N 454.599 2.318 50 10 JEGE O=C(N[C@H]1[C@H]2C[C@H]1N(S(=O)(=O)N1CCC(Br)CC1)C2)OCc1ccccc1 1999494754 QEDMENRGRPLIQV-UAGQMJEPSA-N 458.378 2.090 50 10 JEGE C[C@@H]1CN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@H](CCBr)O1 2122787399 DIZJCUVKGOSBDE-BIENJYKASA-N 491.379 2.215 50 10 JEGE O=C(NOCCCNC(=O)c1ccc(F)c(B(O)O)c1)OCC1c2ccccc2-c2ccccc21 2255726424 CSOMXVJPTPTYEA-UHFFFAOYSA-N 478.285 2.096 50 10 JEGE O=C(CNC(=O)c1cccs1)NNC(=O)N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 727480349 YBYQGKNAWVDHME-SFHVURJKSA-N 475.958 2.320 50 10 JEGE C#CC[C@]1(C(=O)NNc2c(OC)cccc2S(C)(=O)=O)CCCN1C(=O)OC(C)(C)C 1624726132 CSCHOAIOAGTQCU-OAQYLSRUSA-N 451.545 2.335 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@]2(CBr)C[C@@]2(C)C1 2046803377 SPEYSROXQYEOIJ-GBESFXJTSA-N 473.364 2.448 50 10 JEGE Cc1ccc(CNC(=O)[C@@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1B(O)O 2253235309 PIUDZKXASMEBNB-QGZVFWFLSA-N 458.323 2.218 50 10 JEGE COc1ccc(C=NNC(=O)CSc2nnc(O)nc2O)cc1OCc1ccc(C)cc1 2323176655 WRQGXPMBMPXCFC-UHFFFAOYSA-N 455.496 2.421 50 10 JEGE CC(C)[C@@H]1C[C@H](Oc2ncc(Br)cc2B(O)O)CN1C(=O)OCc1ccccc1 2344602840 KKWFSPHNTFTDGQ-WMZOPIPTSA-N 463.137 2.338 50 10 JEGE COc1ccccc1OCC(=O)NNC(=S)NC(=O)COc1ccc(Br)c(C)c1 12573609 VDNBQEXIMSTJCZ-UHFFFAOYSA-N 482.356 2.246 50 10 JEGE CCOc1ccc(/C=C/C(=O)NC(=S)NNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 13623639 UMEGBLCRYNLMJA-YFPIXMDGSA-N 466.563 2.169 50 10 JEGE COC(=O)c1ccc(/C=N/NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(C(=O)O)cc2)cc1 59384578 OTKOYNFQAXNMRO-TYLRVVQJSA-N 452.492 2.115 50 10 JEGE Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 102847948 GIWBBNTXTJTIQG-TXQCQQFXSA-N 464.503 2.006 50 10 JEGE CC(=O)N[C@@H](C(=O)NNC(=O)c1cc(-c2ccccc2)[nH]n1)c1cccc(Br)c1 1540497193 AFYUDLRQSIHKBC-GOSISDBHSA-N 456.300 2.478 50 10 JEGE Cc1c(B(O)O)cc(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1N1CCNCC1 1887522707 GYOABIHTBCQFTQ-UHFFFAOYSA-N 471.366 2.123 50 10 JEGE C[C@@]12CN(Cc3ccccc3)C[C@@H]1CN(S(=O)(=O)c1cnn(CCBr)c1)C2 2179818440 ZNZXBGZPHVVELZ-MJGOQNOKSA-N 453.406 2.421 50 10 JEGE Cc1cc(B(O)O)sc1CN(C)C(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2268711801 OFSYUFJQBNHNNM-GOSISDBHSA-N 476.404 2.195 50 10 JEGE CC(C)S(=O)(=O)N(C)NC(=O)c1cc(I)ccc1Br 2339768092 OCYMCFCGWITDCK-UHFFFAOYSA-N 461.119 2.369 50 10 JEGE C[C@H](CBr)N1CCN(C(=O)c2c(Br)c(Br)nn2C)CC1 2364230504 NKTATKCWIGTINZ-MRVPVSSYSA-N 473.007 2.486 50 10 JEGE CCCOc1cccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN(C)c2ccccc2)c1 254710793 IBGHRWHLQWRDNF-UHFFFAOYSA-N 475.513 2.422 50 10 JEGE COc1ccc(S(=O)(=O)NNC(=O)c2cn(C)c3ccccc23)cc1NC(=O)c1ccccn1 728503348 ONWGWZVBPLTIAS-UHFFFAOYSA-N 479.518 2.458 50 10 JEGE C#CCN(CC(=O)NNC(=O)[C@@H](C)Oc1cccc(Br)c1)C(=O)OC(C)(C)C 1135448859 PRTDXJRYGMSHBF-CYBMUJFWSA-N 454.321 2.234 50 10 JEGE CCc1cccc(OCC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 1860769670 CQMFAMGMRVFFQZ-CQSZACIVSA-N 454.552 2.372 50 10 JEGE CC(=O)Nc1ccc(C)c(N2C[C@@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)c1 1872960535 DIHDMAVQJNUSTI-MOPGFXCFSA-N 478.553 2.083 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@@H]([S@](C)(=O)=NS(=O)(=O)N2CCC(Br)CC2)C1 2106776413 HPSPQAAAQHFVRD-SHZVTRLKSA-N 474.443 2.198 50 10 JEGE CC(=O)O[C@@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 616590436 RDLYSPHPIQHWLE-UURKPOQGSA-N 462.568 2.091 50 10 JEGE CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)NNC(=O)c1nn(C)c(=O)c3ccccc13)O[C@@H](C)C2 730516329 FKPWRCLRIYFEMK-SOVGHPHASA-N 462.506 2.220 50 10 JEGE COc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)NCc3ccccc3)cc2)c(OC)c1 1084052514 XOKJHYOMKVUPTD-UHFFFAOYSA-N 490.516 2.488 50 10 JEGE C=CC[C@]1(C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)CCCN1C(=O)OC(C)(C)C 1543863847 RCTLLNNDRGJNMX-OAQYLSRUSA-N 455.556 2.187 50 10 JEGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(N3CCOCC3=O)c(C)c2)cc1 1664959713 RJUSPVFVTDKFNV-MRXNPFEDSA-N 454.483 2.181 50 10 JEGE O=C(NN=C1[C@H]2OC[C@@H](O2)[C@@H]2[C@H]1[C@H]2C(=O)c1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1848357820 CIZRBZQICZJVBQ-UETRRIKXSA-N 452.379 2.089 50 10 JEGE Cc1cc(C(=O)NN=Cc2ccc(OC(=O)c3ccccc3)cc2)n(-c2nnc(C)c(O)n2)n1 2323671826 HIJPHBFSGVWCIG-UHFFFAOYSA-N 457.450 2.363 50 10 JEGE OB(O)c1cc(Br)cnc1Nc1cc(F)c(I)c(F)c1 2366921681 RGVHQDXFQFOFBU-UHFFFAOYSA-N 454.805 2.150 50 10 JEGE COC(=O)[C@@H](I)CNS(=O)(=O)c1ccc(Cl)c(Br)c1 234614847 AMKGEIQPEYERLX-VIFPVBQESA-N 482.521 2.357 50 10 JEGE CC(C)OCCCn1c(NNC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)nc2ccccc2c1=O 751890904 FHOMRNJJOYNFDJ-VGOFRKELSA-N 459.572 2.109 50 10 JEGE CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NNc3nc4cccnc4s3)CC2)c1 1301292772 KKEJOQJUDKTLDU-UHFFFAOYSA-N 459.553 2.438 50 10 JEGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CC[C@](CBr)(C(F)(F)F)C1 2002428962 XZYAJIDNISKPHF-OAHLLOKOSA-N 469.279 2.262 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCO[C@@H]2C[C@@H](Br)C[C@@H]21 2065591252 YKNQNAYEYLIUDN-RRQGHBQHSA-N 471.373 2.019 50 10 JEGE CC(C)(C)OC(=O)NC1(C(=O)Nc2ccc(F)c(B(O)O)c2)CCN(Cc2ccccc2)CC1 2283958130 VYSZWLURDUCLTN-UHFFFAOYSA-N 471.338 2.004 50 10 JEGE O=C(Cc1cc(Br)cc(Br)c1)N[C@H]1CS(=O)(=O)C[C@H]1Br 2295310730 ASYUBDQFPFWHGR-MNOVXSKESA-N 490.011 2.431 50 10 JEGE N#CC(=CN=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1)C(=O)NCc1ccccc1 2296601253 TYUSPNWGILKUNA-SFTDATJTSA-N 466.588 2.481 50 10 JEGE O=C(NNc1ncnc(NNC(=O)c2cccc(Cl)c2)c1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 40658110 INUVDMMYNLUCIC-UHFFFAOYSA-N 472.805 2.460 50 10 JEGE O=C(CSCC(=O)Nc1ccccc1)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 59378091 GPXBMDHWUNNOMJ-LPYMAVHISA-N 457.512 2.253 50 10 JEGE C=CCOc1ccc(C=NNC(=O)C(=O)N2CCN(c3ccccc3OC)CC2)cc1OC 725433446 MKCSSRSOBIQIOJ-UHFFFAOYSA-N 452.511 2.068 50 10 JEGE COc1ccc(C(=O)NNC(=O)CCCS(=O)(=O)c2ccc(Br)cc2)c(OC)c1 730969967 VBSPEZDYSHWBRH-UHFFFAOYSA-N 485.356 2.481 50 10 JEGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)OCc2ncc(Cl)n2C)cc1 914016020 FOVXRFITUCXMEZ-OQLLNIDSSA-N 468.901 2.471 50 10 JEGE O=C(NC1(C(=O)NCc2sccc2B(O)O)CC1)OCC1c2ccccc2-c2ccccc21 1902252919 VUSSEEFVHLNIFC-UHFFFAOYSA-N 462.336 2.115 50 10 JEGE CO[C@@H]1C[C@@H](NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C[C@H]1Br 2067187393 CWBAUEJDZWQWJW-IAOVAPTHSA-N 473.389 2.313 50 10 JEGE COC(=O)c1ccccc1NC(=O)C(C#N)=CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 2318462268 FOJNDAXOGQGYDS-UHFFFAOYSA-N 468.535 2.134 50 10 JEGE O=C(COc1cccc2ccccc12)NNC(=S)NC(=O)COc1ccc([N+](=O)[O-])cc1 12572644 PBTOFKLITOPSMJ-UHFFFAOYSA-N 454.464 2.228 50 10 JEGE Cn1/c(=N/NC(=O)c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)sc2ccccc21 102516614 WNIJSOIXKPAEAM-ROMGYVFFSA-N 494.558 2.456 50 10 JEGE CCCCOC(=O)c1ccccc1NC(=O)/C(C#N)=C\NCc1ccc(S(N)(=O)=O)cc1 217240550 QRZJXMALUMWARX-ICFOKQHNSA-N 456.524 2.427 50 10 JEGE Cc1sc2ncn(CCC(=O)NNc3ccc(S(=O)(=O)NC4CC4)cc3)c(=O)c2c1C 726862805 CHMAGAXBSVJMLA-UHFFFAOYSA-N 461.569 2.049 50 10 JEGE COC(=O)[C@H]1CN(C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CCO1 728537966 FQPTYWXLGAMUCX-KZIRBZLESA-N 453.886 2.425 50 10 JEGE COc1ccc(Br)cc1C=NNC(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1 1084017567 ILPLTZKQIIIQMJ-UHFFFAOYSA-N 497.371 2.187 50 10 JEGE CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NNCC(F)(F)C(F)(F)F)CC2)c1 1586712822 YMIBGMRCVNXLSR-UHFFFAOYSA-N 457.421 2.108 50 10 JEGE C[C@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)Cc4cn(C)c5ccccc45)c(=O)c23)C1 1865852321 SBRRVCUXOYYNHO-AWEZNQCLSA-N 463.563 2.465 50 10 JEGE C[C@]1(CBr)COCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2049905666 GWZDILACAVJHSU-IBGZPJMESA-N 473.389 2.269 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N[C@@H](CBr)CC1CCOCC1 2074905492 IOKVERLTDLFETH-OAHLLOKOSA-N 473.389 2.172 50 10 JEGE CC(C)(C)OC(=O)N1CCN(c2ccc(NS(=O)(=O)CI)nc2)CC1 2085334453 PPNIFINWWMJYBU-UHFFFAOYSA-N 482.344 2.273 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC[C@@]2(C[C@@H](Br)CO2)C1 2137120994 JDADFQUFKSIHHF-FOIQADDNSA-N 485.400 2.411 50 10 JEGE O=S(=O)(c1cnn(CCBr)c1)N1C[C@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2179820631 ADGWVQRBCBQXIQ-QZTJIDSGSA-N 453.406 2.421 50 10 JEGE O=C(c1cc(I)ccc1O)N1C[C@H]2COC[C@]2(CBr)C1 2234578496 GIMJBMFWSFSOIU-XPTSAGLGSA-N 452.086 2.480 50 10 JEGE CCn1ncc(NS(=O)(=O)N2CCC(Br)CC2)c1I 2265352766 CPSLMZABSNPLPB-UHFFFAOYSA-N 463.139 2.024 50 10 JEGE CCOc1cc([C@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OCCN1CCOCC1 662399 XJZWUPDFQIMZDA-DHLKQENFSA-N 488.592 2.151 50 10 JEGE COc1ccc(N2CCN(C(=O)CCC(=O)NNc3nc4ccccc4c4nc(C)nn34)CC2)cc1 8599022 YTOBAZVXBJLYEB-UHFFFAOYSA-N 488.552 2.167 50 10 JEGE COC(=O)c1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Cl)c1 10293977 UYJUNOXJSAQLOE-UHFFFAOYSA-N 456.307 2.495 50 10 JEGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 33535443 KMSJAUWCODVNQC-XUDLPTGHSA-N 478.530 2.314 50 10 JEGE COC(=O)c1ccc(COc2ccccc2C(C)=NNC(=O)CCn2cnc([N+](=O)[O-])n2)o1 254439566 SJSOSCARYZCLCU-UHFFFAOYSA-N 456.415 2.075 50 10 JEGE C=C(CCC(=O)OC)C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1 1135409157 QVXYPTCPINIOOP-UHFFFAOYSA-N 459.524 2.375 50 10 JEGE CC(C)(C)OC(=O)NCCCN(CC(F)(F)F)S(=O)(=O)CI 1910134665 BBFUMYTWXGJVJP-UHFFFAOYSA-N 460.256 2.488 50 10 JEGE CCOC(=O)C1=c2s/c(=C/c3ccccc3F)c(=O)n2C(N)=C(C#N)[C@H]1c1ccccc1F 32939104 LGZUZXJNBZLMJX-WAGPWIPHSA-N 465.481 2.179 50 10 JEGE O=C(CN1C(=O)CN=C(c2ccccc2)c2cc(Br)ccc21)NNC(=O)C(F)(F)F 96564605 NCECZCHFTKNVTP-UHFFFAOYSA-N 483.244 2.343 50 10 JEGE C#CCOc1c(I)cc(/C=C(/C#N)C(N)=O)cc1I 218425326 KNAAWFMQVDAFHX-WTKPLQERSA-N 478.027 2.300 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](Br)[C@H](C2CC2)C1 2046030297 XDGKZZNBVDFUEU-FCEWJHQRSA-N 473.364 2.446 50 10 JEGE COC1(CCNS(=O)(=O)N2CCC(Br)CC2)CN(C(=O)OCc2ccccc2)C1 2111365764 PTAHDSJQTCPGSZ-UHFFFAOYSA-N 490.420 2.108 50 10 JEGE CC(C)(C)OC(=O)NCC1CC([S@](C)(=O)=NS(=O)(=O)N2CCC(Br)CC2)C1 2192629989 VBXMXMJTQQXRKY-JGUWLOPCSA-N 488.470 2.492 50 10 JEGE Cc1cc(B(O)O)c(C)cc1NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2268656334 VZODNNGTNOJQNG-LAUBAEHRSA-N 456.348 2.420 50 10 JEGE COc1ccc(B(O)O)cc1NC(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 2319281370 XBZDQYNRDCQJCS-UHFFFAOYSA-N 472.306 2.385 50 10 JEGE COCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 207144966 XVTSTTDZTGTUIJ-SDXDJHTJSA-N 461.474 2.338 50 10 JEGE Nc1nonc1-n1nnc(C(=O)NN=Cc2cc(Br)cs2)c1-c1ccccc1 253685104 VPLDWSPRUDLSQZ-UHFFFAOYSA-N 459.289 2.487 50 10 JEGE Cc1ccc(C(=O)NN=C2C(=O)N(CN3CCN(C)CC3)c3ccc(Br)cc32)cc1 254447634 DUWYMTLWNANDKX-UHFFFAOYSA-N 470.371 2.443 50 10 JEGE COC(=O)c1cccc(C(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)c1 1865851424 BJENVOLLDCXVJF-LBPRGKRZSA-N 454.508 2.146 50 10 JEGE C=C[C@@]1(CBr)COCCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2079187205 DWAQRBUSIVBTPR-LJQANCHMSA-N 471.373 2.045 50 10 JEGE CN1[C@@H](CCl)N(C(=O)OCc2ccccc2)c2cc(Cl)c(S(N)(=O)=O)cc2S1(=O)=O 2081070998 KJARFGFIMQHIFA-MRXNPFEDSA-N 494.378 2.330 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H]2[C@@H](CBr)CO[C@H]2C1 2121588681 SGILMGCDZGFQLT-QGTPRVQTSA-N 485.400 2.124 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCN2C[C@H](Br)C[C@H]2C1 2364213019 CUEFXKCOTPQOTF-SJORKVTESA-N 498.443 2.326 50 10 JEGE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)CC1 727300462 RLLIREAUEWDZFX-UHFFFAOYSA-N 452.511 2.183 50 10 JEGE COc1cccc(OCC(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 1860772118 RSJKTRWJOITDEK-KGLIPLIRSA-N 470.551 2.379 50 10 JEGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)C=Cc3ccc(Cl)cc3Cl)nc2)CC1 2040469583 DGJGIUNQJQWOEY-UHFFFAOYSA-N 470.382 2.481 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@@H]2CN(S(=O)(=O)N3CCC(Br)CC3)CC[C@H]21 2106772890 PGUHQOVVMRFMDF-UKRRQHHQSA-N 452.415 2.422 50 10 JEGE Cc1csc(CNC(=O)CCNC(=O)OCC2c3ccccc3-c3ccccc32)c1B(O)O 2243916754 ONIDLTYGNAUAIN-UHFFFAOYSA-N 464.352 2.281 50 10 JEGE CCCN(CCC)Cc1c(C(=O)N/N=C/c2c[nH]c3ccccc23)nnn1-c1nonc1N 3633116 HQWKXTOANKDROA-WYMPLXKRSA-N 450.507 2.100 50 10 JEGE COc1ccc(Br)c(C(=O)NNC(=O)c2cc(C3CC3)nc3c2c(O)nn3C)c1 728527552 MXCBVWAMMRHZKP-UHFFFAOYSA-N 460.288 2.397 50 10 JEGE O=C(Cn1nnc(-c2cccc([N+](=O)[O-])c2)n1)NNC(=S)Nc1ccccc1C(F)(F)F 1615714357 HCXNUPFJUVBBMK-UHFFFAOYSA-N 466.405 2.285 50 10 JEGE CC(=O)Nc1nnc(S(=O)(=O)N(C)C[C@H](Br)COCc2ccccc2)s1 1916363512 ASUHHGPLWWLTCJ-ZDUSSCGKSA-N 463.379 2.097 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCO[C@@H]2C[C@@H](CBr)C[C@@H]21 2135049150 RRGTUJPHWHPUBD-JCGIZDLHSA-N 485.400 2.267 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCOC[C@](C)(CBr)C1 2135099005 ZRUSVKQCDABIJO-MOPGFXCFSA-N 491.379 2.074 50 10 JEGE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@@H]3NS(=O)(=O)N1CCC(Br)CC1 2169566034 WTCNKUHSLOKDRZ-BHQQPIICSA-N 464.426 2.324 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)c2ccc(CBr)cc2)[C@H](CO)C1 2172901556 WJPBFRBJEZBDMD-HOCLYGCPSA-N 463.394 2.478 50 10 JEGE CN1CCN(CCO[C@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)CC1 2264215114 HKJWGMKBJUPBOY-SFHVURJKSA-N 467.392 2.455 50 10 JEGE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCc2ccc(B(O)O)cc21 2283978340 AWMRRRORESKMOE-VGOFRKELSA-N 468.359 2.144 50 10 JEGE O=C(Cc1ccc([N+](=O)[O-])cc1)NNc1ncnc(N2CCN(c3ccccc3F)CC2)c1[N+](=O)[O-] 40659244 VLTIQQZMFMVZCQ-UHFFFAOYSA-N 496.459 2.445 50 10 JEGE CCc1cccc2c(/C=C(/C#N)C(=O)NC[C@H]3CCCO3)cn(CC(=O)N3CCOCC3)c12 1084070006 HZBCAWOSAPQXEU-CNSVBDKNSA-N 450.539 2.265 50 10 JEGE C#C[C@H](C)NC(=O)NNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2OC)c1 1230478967 SVOPGCBKHPXHLS-LBPRGKRZSA-N 450.904 2.115 50 10 JEGE CC(=O)N1CCN(c2ccccc2CNC(=O)NNC(=O)NCc2ccc(Cl)cc2)CC1 1311805971 RCFQNPXTASEXOY-UHFFFAOYSA-N 458.950 2.222 50 10 JEGE CO[C@@H]1C[C@H](NS(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C[C@@H]1Br 2067192355 NIEHMADQLYXOSH-UHOFOFEASA-N 473.389 2.169 50 10 JEGE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](NS(=O)(=O)N3CCC(Br)CC3)C[C@H]1C2 2106305017 LBYTWQXRODRZKR-NWANDNLSSA-N 452.415 2.468 50 10 JEGE COc1cccc(C(C)=NNc2nc(SCC(=O)NNC(=O)c3ccc(F)cc3)n[nH]2)c1 1084443153 DTRZEJFUIUMRFX-UHFFFAOYSA-N 457.491 2.342 50 10 JEGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)NCCN4CCOCC4)c(C)c32)c1 1772749603 NIOCWHAOIMKABY-UHFFFAOYSA-N 454.527 2.129 50 10 JEGE COc1cc(/C=N/NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc([N+](=O)[O-])c1O 1860773239 SZOSACSBNFDXKK-RVDRBWKSSA-N 471.495 2.356 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@@H](Br)C[C@@]2(CCCO2)C1 1924300171 XRFRXYWIDHYDLX-YWZLYKJASA-N 485.400 2.411 50 10 JEGE CN(Cc1cc(B(O)O)cs1)C(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21 2243906302 YWZITPCIHYLHRA-UHFFFAOYSA-N 464.352 2.315 50 10 JEGE COCCN(C[C@@H](C)Br)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2259757982 QAUHGHNNCARNNK-FZKQIMNGSA-N 479.368 2.072 50 10 JEGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)Nc1ccc(C(F)(F)F)c(B(O)O)c1 2370113603 IALPCFVPFXENAN-SFHVURJKSA-N 482.264 2.434 50 10 JEGE COCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc([N+](=O)[O-])cc1 14662592 VQDDFYDDKBSAOE-UHFFFAOYSA-N 468.260 2.223 50 10 JEGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)NNC(=O)c1ccc(Cl)cc1 20923015 BBTKZXBQTWAONR-UHFFFAOYSA-N 482.957 2.464 50 10 JEGE CC(C)(C)OC(=O)N1C[C@@H](CNS(=O)(=O)N2CCC(Br)CC2)OC(C)(C)C1 2162588880 KSUGLUXBKFWZNQ-CQSZACIVSA-N 470.430 2.095 50 10 JEGE Cc1cccc(C(=O)NCCCONC(=O)OCC2c3ccccc3-c3ccccc32)c1B(O)O 2255513040 KGPMLJYZOSMSLH-UHFFFAOYSA-N 474.322 2.265 50 10 JEGE CC(=O)N(C[C@H](C)N(C(C)=O)C(C)=O)C[C@@H](Cc1ccc(N=C=S)cc1)N(C(C)=O)C(C)=O 33753522 XKWMWKSTOBNCPW-NPMXOYFQSA-N 474.583 2.359 50 10 JEGE CCOc1ccc(-c2c(C(=O)NN=Cc3cc(OC)ccc3OC)nnn2-c2nonc2N)cc1 254617534 WDYIWGVNEANCTA-UHFFFAOYSA-N 478.469 2.079 50 10 JEGE Cc1csc(CC(=O)NNC(=O)COC(=O)C2CCN(c3nc4ccccc4s3)CC2)n1 728731267 JDUPDXBLHMKRPH-UHFFFAOYSA-N 473.580 2.211 50 10 JEGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)N(C)c2ccc(OC)nc2)cc1 746517083 HZXMORHSTMQFCV-SFQUDFHCSA-N 460.494 2.408 50 10 JEGE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1nn(CC)c(=O)c2ccccc12 1463598745 VSMQPZLFWSWWDF-QGZVFWFLSA-N 457.531 2.427 50 10 JEGE C=CCNS(=O)(=O)c1ccc(CC(=O)NNc2cc(Cl)nc3c2c(C)nn3C)s1 1644084491 ZIFWOXFWQGOWEA-UHFFFAOYSA-N 454.965 2.142 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CC[C@H](CBr)C(F)(F)C1 1942546759 PFLKZSSKIIHWCI-GFCCVEGCSA-N 465.316 2.355 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H](Br)C1CCC1 2000532217 IAFHARNVRJGRJM-YJBOKZPZSA-N 461.353 2.494 50 10 JEGE C[C@H](NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O)c1nnc(CBr)s1 2072473088 IJVWSFAQVKHNMD-NSHDSACASA-N 487.401 2.490 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@@H](NS(=O)(=O)c2ccc(CBr)cc2)C1 2172898173 BNRPZGBXWQQBBG-ZBFHGGJFSA-N 463.394 2.478 50 10 JEGE O=C(CCCNC(=O)OCC1c2ccccc2-c2ccccc21)NCCc1ccccc1B(O)O 2257378548 HBCPYKDNDHIJSV-UHFFFAOYSA-N 472.350 2.344 50 10 JEGE C[C@@H](NC(=O)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1)c1cscc1B(O)O 2268793401 KCMXQBKEEDBRHW-MRXNPFEDSA-N 474.388 2.059 50 10 JEGE Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(CC(=O)/C(C#N)=C3\NN=C4CCCCCN43)CC2)c1C 12581339 WFOREPFTLAVPFD-NJNXFGOHSA-N 498.653 2.324 50 10 JEGE COc1cc(C=NNC(=O)C2CCN(C[C@H](O)COCc3ccccc3)CC2)cc(OC)c1OC 13136996 XUUJANTVMAANDI-QFIPXVFZSA-N 485.581 2.452 50 10 JEGE Nc1c(NNC(=O)c2cccnc2)ncnc1NNC(=O)C(c1ccccc1)c1ccccc1 40793961 GYJNSVXJFXGPMZ-UHFFFAOYSA-N 454.494 2.486 50 10 JEGE CCOc1ccc(N2C[C@@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1 1872961617 MKCYQVGYEMEQHY-MSOLQXFVSA-N 451.527 2.215 50 10 JEGE C[C@@H]1CCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@H]1Br 2000540238 DODZLVKNAWJTNP-CDHAZOANSA-N 461.353 2.446 50 10 JEGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)NCCc3ccccc3)c(N3CCN(C)CC3)nc12 33746160 ZRTKQDQVUJADDZ-FXBPSFAMSA-N 456.550 2.021 50 10 JEGE COC(=O)CN1C(=O)[C@@]2(C(C#N)=C(N)Oc3cc(C)n(Cc4ccccc4)c(=O)c32)c2ccccc21 39918694 GCJAEGIZNZISOA-HHHXNRCGSA-N 482.496 2.097 50 10 JEGE COc1ccc(N2CCN(c3ncnc(NNC(=O)Cc4ccccc4)c3[N+](=O)[O-])CC2)cc1 40611241 AXROXKBCEHBBFD-UHFFFAOYSA-N 463.498 2.406 50 10 JEGE COc1ccc(Cn2cccc(C(=O)N/N=C\c3cc(OC)c(O)c([N+](=O)[O-])c3)c2=O)cc1 169920967 DIDJYHLXHDJMTH-FMCGGJTJSA-N 452.423 2.292 50 10 JEGE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNc3ccc(Cl)cc3C)cc2)CC1 1558278703 BVOSRWWAXQSZPJ-UHFFFAOYSA-N 450.948 2.258 50 10 JEGE O=C(NS(=O)(=O)c1ccc(CNC(=O)c2cccnc2)cc1)Oc1ccc([N+](=O)[O-])cc1 1858956470 GXPCSVCHBWDXCA-UHFFFAOYSA-N 456.436 2.397 50 10 JEGE CC(C)(C)OC(=O)NC1CC(C[S@@](C)(=O)=NS(=O)(=O)CI)C1 1910109258 VGVOGPOKRGAQAS-RPRMFJHBSA-N 466.363 2.110 50 10 JEGE C[C@@H]1C[C@@H]1N(CCBr)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2002036463 YQGPISWWPHUGTA-HNJNHCNJSA-N 461.353 2.446 50 10 JEGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1C[C@H]2C[C@H]1C[C@H]2Br 2046021838 FJBWOTULWAKVOL-QSMIPNIJSA-N 473.364 2.492 50 10 JEGE CC(C)(C)OC(=O)N1CC[C@@H]2CN(S(=O)(=O)N3CCC(Br)CC3)CC[C@@H]21 2106772889 PGUHQOVVMRFMDF-HIFRSBDPSA-N 452.415 2.422 50 10 JEGE O=C(NOCCCNC(=O)c1cc(F)ccc1B(O)O)OCC1c2ccccc2-c2ccccc21 2255727644 SSYYRVUVUSUFCJ-UHFFFAOYSA-N 478.285 2.096 50 10 JEGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CCOC[C@@H]1CBr 2316827239 OYPIYESSESVFEN-HNNXBMFYSA-N 473.389 2.269 50 10 JEGE