smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)c2ccccc2Br)cc1 216649899 KUPOWMTYBUPXTL-UHFFFAOYSA-N 497.345 5.167 70 10 JKIE O=C(c1cc(Br)ccc1I)N1CCC[C@@H]1c1cccs1 217487560 MHSQYHPGCXVAEJ-CYBMUJFWSA-N 462.150 5.093 70 10 JKIE C[C@@H](CS(=O)(=O)Cl)c1cc(Br)cc(Br)c1NC(=O)OC(C)(C)C 1952631615 INEKOCAEGCWNKA-QMMMGPOBSA-N 491.629 5.231 70 10 JKIE CCN[C@@H](c1cc(Br)sc1Br)c1c(F)cccc1Br 160821941 VXEUAYARAUZSNX-LBPRGKRZSA-N 472.015 5.874 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)/C=C/c2cccc(C)c2)cc1 216669064 USPKMUASQYCRBB-LFIBNONCSA-N 458.514 5.112 70 10 JKIE CCOc1ccc(C)cc1[C@@H](C)NC(=O)NCCCOc1ccc(Br)cc1Cl 217298910 SNYLBYBTTHZVOV-OAHLLOKOSA-N 469.807 5.639 70 10 JKIE O=C(NCCn1nc(-c2ccncc2)c2c1CCCC2)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 217457997 JTYWBMGZWPAAGZ-UHFFFAOYSA-N 482.428 5.292 70 10 JKIE Cc1c(N)c(C)c([B-](F)(F)F)c(C)c1CNC(=O)OCC1c2ccccc2-c2ccccc21 1887515198 IXJSZPWGHDEUFJ-UHFFFAOYSA-N 453.293 5.287 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 216651093 LVNXELSWPKHHEL-UHFFFAOYSA-N 490.600 5.697 70 10 JKIE COc1cc(NC(=O)c2cc(Br)ccc2Br)ccc1Br 160639487 WQZIREAEIHAQIB-UHFFFAOYSA-N 463.951 5.235 70 10 JKIE Cc1cccc(N2CCN(C(=O)NCCCOc3ccc(C(C)(C)C)cc3Br)CC2)c1 217298706 VONPSGZSCKSDLA-UHFFFAOYSA-N 488.470 5.356 70 10 JKIE CN(CCN(Cc1ccccc1)c1ncc([B-](F)(F)F)cc1Br)Cc1ccccc1 1961721698 BVRFTIBIUJNMIV-UHFFFAOYSA-N 477.157 5.037 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)c3cc(Cl)ccc3OC)cc2)cc1 216627610 KAIKTOINGSZHLP-UHFFFAOYSA-N 482.920 5.066 70 10 JKIE CCN(CC)c1ccc(NC(=O)NCCCOc2ccc(C(C)(C)C)cc2Br)c(C)c1 217298725 KKVIWOLZWNDJDN-UHFFFAOYSA-N 490.486 6.492 70 10 JKIE CCOc1cc(NC(=O)Nc2ccc(I)cc2)cc(OCC)c1OCC 217275090 YVCHPAGCPWFUIT-UHFFFAOYSA-N 470.307 5.131 70 10 JKIE CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1-c1csc(C)n1 218662483 WXSBRWOVYVFBCO-UHFFFAOYSA-N 453.383 5.081 70 10 JKIE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC([B-](F)(F)F)CC1 2216946265 SQJZIQAVOPQFST-XDHUDOTRSA-N 487.351 5.780 70 10 JKIE COC(=O)c1ccccc1NC(=O)NCCCOc1ccc(C(C)(C)C)cc1Br 217298511 CSSNKOOBHYFJTP-UHFFFAOYSA-N 463.372 5.124 70 10 JKIE CCN[C@H](c1ccc(C)cc1Br)c1cc(Br)c(C)cc1Br 161049979 XMPWSIBJUGKAMC-QGZVFWFLSA-N 476.050 6.290 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)c2c(F)cccc2Cl)cc1 216664106 WIONUSLXANXHHU-UHFFFAOYSA-N 470.884 5.197 70 10 JKIE O=C(Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)N(Cc1ccccc1)Cc1ccccc1 217281282 LIDWJWSKODSXMQ-UHFFFAOYSA-N 467.569 5.850 70 10 JKIE CCN[C@@H](c1cc(Br)ccc1Br)c1c(F)cccc1Br 160816282 JIUYTSKFHLUQQB-HNNXBMFYSA-N 465.986 5.812 70 10 JKIE COc1ccc([C@@H](C)NC(=O)NCCCOc2ccc(C(C)(C)C)cc2Br)cc1 217298497 GJSWNYAODRVENC-MRXNPFEDSA-N 463.416 5.585 70 10 JKIE COc1cc(Cl)c(C)cc1NC(=O)NCCCOc1ccc(Br)cc1Cl 217299141 JRRIEUVCMQNCSV-UHFFFAOYSA-N 462.171 5.664 70 10 JKIE CN[C@H](c1cc(Br)ccc1Br)c1csc2c(Br)cccc12 159891746 NOIHLHYQPHXRPY-OAHLLOKOSA-N 490.058 6.498 70 10 JKIE CC(C)(C)c1ccc(OCCCNC(=O)Nc2ccccc2Br)c(Br)c1 217298711 LQMINHHEIPUZGQ-UHFFFAOYSA-N 484.232 6.100 70 10 JKIE CC(C)(C)c1ccc(OCCCNC(=O)NCCc2ccccc2F)c(Br)c1 217298778 LMIMSSJUIPKSOW-UHFFFAOYSA-N 451.380 5.197 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)/C=C/c3ccccc3Cl)c2)cc1 216693373 WUVFWBHJLWHRJU-NTCAYCPXSA-N 478.932 5.457 70 10 JKIE O=C(NCCCOc1ccc(Br)cc1Cl)Nc1ccccc1C(F)(F)F 217298831 ZUGDKVLBSODMTE-UHFFFAOYSA-N 451.670 5.712 70 10 JKIE Cc1cc(Br)cc(S(=O)(=O)Cl)c1OCc1cccc(Br)c1 109150644 FMAJDZZKFFAKNJ-UHFFFAOYSA-N 454.567 5.027 70 10 JKIE CCCN[C@H](Cc1ccc(F)cc1Br)c1csc(I)c1 161366706 LZWWIDLXIHYURG-CQSZACIVSA-N 468.173 5.538 70 10 JKIE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@](C)([B-](F)(F)F)C1 2303107954 CNPGTCKCUXNCCS-VPWGAPMNSA-N 487.351 5.780 70 10 JKIE COC(=O)c1cc([B-](F)(F)F)cc(N(C)C(=O)OCC2c3ccccc3-c3ccccc32)c1C 1887520407 JLXOWIOJRCVFGR-UHFFFAOYSA-N 468.260 5.221 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)[C@H](C)Oc3ccc(Cl)cc3)cc2)cc1 216630135 KNCAXYWKRXYSPV-KRWDZBQOSA-N 496.947 5.211 70 10 JKIE Cc1ccc2nc(-c3ccc(NC(=O)N/C=C/c4ccccc4Br)cc3)sc2c1 217866573 FEDZJPVHBKROPW-OUKQBFOZSA-N 464.388 6.827 70 10 JKIE Cc1cc(Br)c(NC(=O)c2c(F)cccc2Br)c(Br)c1 160911639 LFBAVSMCMVHTJG-UHFFFAOYSA-N 465.942 5.674 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)c2ccc(C(C)(C)C)cc2)cc1 216657365 OENSSANJMOMGHU-UHFFFAOYSA-N 474.557 5.702 70 10 JKIE CCCCc1ccc(NC(=O)NCCCOc2ccc(C(C)(C)C)cc2Br)cc1 217298435 IZXUMTGILZFBHN-UHFFFAOYSA-N 461.444 6.680 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)/C=C/c3ccccc3C)cc2)cc1 216643073 YLKASHRNWHGYJJ-SFQUDFHCSA-N 458.514 5.112 70 10 JKIE CC1(C)CC(NC(=O)NCCCOc2ccc(C(C)(C)C)cc2Br)CC(C)(C)N1 217298584 SKCREUXXIBJSRF-UHFFFAOYSA-N 468.480 5.124 70 10 JKIE CN[C@@H](c1ccc(C)cc1Br)c1cc(Br)c(C)cc1Br 161049588 YZFLYXRIYLZNCR-INIZCTEOSA-N 462.023 5.900 70 10 JKIE O=c1ccc2c([nH]1)CCC[C@@H]2Nc1c(Br)cc(Br)cc1Br 160967607 BXRYVJZQKYGGFP-ZDUSSCGKSA-N 476.994 5.152 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)/C=C/c3ccccc3Cl)cc2)cc1 216643388 GTXWQKVEPQCGBC-LFIBNONCSA-N 478.932 5.457 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)c3ccc(C(F)(F)F)cc3)c2)cc1 216688387 NLYCSWVCTMYPCC-UHFFFAOYSA-N 486.446 5.423 70 10 JKIE O=C(Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)NC(c1ccccc1)c1ccccc1 217281156 AYUIMZIWJFCREQ-UHFFFAOYSA-N 453.542 5.526 70 10 JKIE Cc1ccc2nc(-c3ccc(NC(=O)NCc4ccc(Br)cc4)cc3)sc2c1 217315530 NMXCTMLLISZKMB-UHFFFAOYSA-N 452.377 6.356 70 10 JKIE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@H]3C[C@@]3([B-](F)(F)F)C2)cc1Br 2194131493 BGCZWGIMBWRAGS-KPZWWZAWSA-N 462.095 5.250 70 10 JKIE COc1cc(Br)c([C@@H](N)c2cc(Br)ccc2Br)cc1OC 159805906 ACJKSSIQFRRSSR-HNNXBMFYSA-N 479.994 5.039 70 10 JKIE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC([B-](F)(F)F)CC2)cc1I 2231045433 UBYLHIUJLBLOGR-UHFFFAOYSA-N 497.084 5.092 70 10 JKIE CC(C)(C)c1ccc(OCCCNC(=O)NCCc2ccc(F)cc2)c(Br)c1 217298713 KVOBUCMNRUURDC-UHFFFAOYSA-N 451.380 5.197 70 10 JKIE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@H]([B-](F)(F)F)C1 1902521452 HJJYMHLPQVYFDD-YGKZAACZSA-N 473.324 5.390 70 10 JKIE O=S(=O)(NC[C@@H]1CCCN1c1nccs1)c1ccc(-c2cc(Cl)cc(Cl)c2)cc1 217803676 PJWKYJOEMSEWCK-SFHVURJKSA-N 468.431 5.064 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1 216624962 DVHUJDXWHHNQTL-UHFFFAOYSA-N 452.894 5.058 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)CCc2cccc(Cl)c2)cc1 216667230 SCJNITVEZROQRA-UHFFFAOYSA-N 480.948 5.377 70 10 JKIE O=C(NCCCOc1ccc(Br)cc1Cl)NCc1ccccc1Br 217299180 AYXICKKLXLTEPO-UHFFFAOYSA-N 476.596 5.133 70 10 JKIE COc1cc(Br)ccc1[C@@H](O)c1cc(Br)c(C)cc1Br 160758799 KLXSAZXKKXLDTK-OAHLLOKOSA-N 464.979 5.373 70 10 JKIE Cc1cc(OCNC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc(C)c1Cl 217290353 RCIAHLPKGAMKKX-UHFFFAOYSA-N 464.009 5.410 70 10 JKIE CC(C)(C)c1ccc(OCCCNC(=O)NCc2cccc(Cl)c2)c(Br)c1 217298773 OMKFYGOKOQGREG-UHFFFAOYSA-N 453.808 5.668 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc1 216674904 YJQMZEOZPXQURX-UHFFFAOYSA-N 452.894 5.058 70 10 JKIE Cc1c(C(=O)Nc2ccccc2-c2cn3ccsc3n2)sc2nc(-c3ccccc3)cn12 218567974 NPJCEVCXVHMCCC-UHFFFAOYSA-N 455.568 6.000 70 10 JKIE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@H]2C[C@]2([B-](F)(F)F)C1 2243929347 RXNBSSIBYAPMHN-LMKMVOKYSA-N 471.308 5.144 70 10 JKIE C[C@@H](NC(=O)c1cc(Br)ccc1I)c1ccc(Cl)cc1 217461403 WICJHWLVJDWFDS-SECBINFHSA-N 464.528 5.198 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)/C=C/c3cccc(C)c3)c2)cc1 216693622 WNSSJIMPDUDVLT-XNTDXEJSSA-N 458.514 5.112 70 10 JKIE CC(C)(C)c1ccc(OCCCNC(=O)Nc2ccc(Nc3ccccc3)cc2)c(Br)c1 217298616 GQLMALCJBRCQKQ-UHFFFAOYSA-N 496.449 7.081 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)CCc2ccc(Cl)cc2)cc1 216661568 NMZFONQBAKBCMK-UHFFFAOYSA-N 480.948 5.377 70 10 JKIE CC(C)(C)c1ccc(NC(=O)NCCCOc2ccc(C(C)(C)C)cc2Br)cc1 217298671 RQSSZSSZEPQRLH-UHFFFAOYSA-N 461.444 6.635 70 10 JKIE O=C(Nc1ccccc1-c1csc(-c2ccccc2F)n1)[C@@H]1CC(=O)N(c2cccc(F)c2)C1 218610504 QHDRUDOGOWLHSD-MRXNPFEDSA-N 475.520 5.747 70 10 JKIE CC(C)(CCC(=O)Oc1c(F)c(F)c(F)c(F)c1F)SSc1ccc([N+](=O)[O-])cn1 616455574 MXVPEVNXNQHQFG-UHFFFAOYSA-N 468.425 5.590 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)/C=C/c3ccccc3Cl)cc2)cc1 216643454 DYWOLHPGLSGQNB-LFIBNONCSA-N 478.932 5.457 70 10 JKIE CCOc1ccc(CCNC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1OC 217308381 MJXDVAFZMMAXGN-UHFFFAOYSA-N 461.587 6.043 70 10 JKIE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@](C)([B-](F)(F)F)C1 2303107871 CAQAFWITPQOQSG-ZEQKJWHPSA-N 487.351 5.780 70 10 JKIE CCOc1ccc(C(=O)c2cc(Br)ccc2Br)c(Br)c1 159781494 LARIJCMDEMKHCX-UHFFFAOYSA-N 462.963 5.604 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)/C=C/c3cccc(C)c3)cc2)cc1 216643658 MFXSLRMNXJPZHR-CXUHLZMHSA-N 458.514 5.112 70 10 JKIE O=C(CCCOc1ccc(Br)cc1Cl)NCc1ccccc1NC(=O)C(F)(F)F 216815523 VDBRYACMRWUKRR-UHFFFAOYSA-N 493.707 5.079 70 10 JKIE C[C@H]1C[C@@H](Nc2c(Br)cc(Br)cc2Br)c2ccsc2S1 216991291 GDOJGRNCDMCEPX-JVXZTZIISA-N 498.103 7.073 70 10 JKIE CCCN[C@@H](c1cc(Br)ccc1Br)c1cc(Br)sc1C 159881593 DXVQJZFJCRZVDK-OAHLLOKOSA-N 482.079 6.433 70 10 JKIE CCCN[C@@H](Cc1cc(Br)ccc1F)c1ccc(I)cc1 160398716 DIFFOKDJGJPKJS-KRWDZBQOSA-N 462.144 5.476 70 10 JKIE COc1ccc([C@H](Br)[C@H](Br)c2ccc(OC)c(OC)c2)cc1OC 2578979 MBBHHOGFBDEQMC-HDICACEKSA-N 460.162 5.293 70 10 JKIE CC(C)(C)OC(=O)Nc1cc(C(=O)N2CC[C@@H]3C[C@]3([B-](F)(F)F)C2)ccc1Br 2194135048 ZZXFBDGLHVOGGS-XIKOKIGWSA-N 462.095 5.250 70 10 JKIE CCCN[C@H](c1cc(Br)c(Br)s1)c1ccc(C)cc1Br 161047790 INQTVYOLMYGRQJ-AWEZNQCLSA-N 482.079 6.433 70 10 JKIE O=S(=O)(NC[C@H]1CCCN1c1nccs1)c1ccc(-c2cc(Cl)cc(Cl)c2)cc1 217803737 PJWKYJOEMSEWCK-GOSISDBHSA-N 468.431 5.064 70 10 JKIE COCc1c(Br)cccc1NC(=O)c1cc(Br)ccc1Br 160453364 NFMRQKWPZUZIET-UHFFFAOYSA-N 477.978 5.373 70 10 JKIE CCCCOC(=O)c1ccccc1NC(=O)NCCCOc1ccc(Br)cc1Cl 217298936 PCWSZHQZIPIGMK-UHFFFAOYSA-N 483.790 5.650 70 10 JKIE CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1Nc1c(Br)cc(Br)cc1Br 218098029 BNPMXJZCNHKKOF-GMXABZIVSA-N 468.071 6.847 70 10 JKIE CC(C)(C)c1ccc(OCCCNC(=O)NCCc2c[nH]c3ccccc23)c(Br)c1 217298716 KAWZCOLFUVVQIP-UHFFFAOYSA-N 472.427 5.539 70 10 JKIE CC(=O)Oc1cc(S(=O)(=O)Cl)c2ccccc2c1/N=N/c1c(C)nn(-c2ccccc2)c1O 100000900 YYCSIVCPIXXBEJ-OCOZRVBESA-N 484.921 5.308 70 10 JKIE CN[C@H](c1cc(Br)c(C)cc1Br)c1ccc(Br)cc1OC 160657486 PZBCIJYMGRYWAE-INIZCTEOSA-N 478.022 5.600 70 10 JKIE Cc1ccc(OCNC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c(C(C)(C)C)c1 217290203 IVGHVVLQRPZJCE-UHFFFAOYSA-N 459.615 7.036 70 10 JKIE Cc1nc(-c2ccccc2NC(=O)[C@@H]2CCCCN2c2ccc(-c3cccs3)nn2)cs1 218602973 ROJAONUUMBGBDZ-NRFANRHFSA-N 461.616 5.635 70 10 JKIE O=C(NCCCOc1ccc(Br)cc1Cl)NCCc1cccc(Br)c1 217299196 NSPVVYUMARJTAW-UHFFFAOYSA-N 490.623 5.176 70 10 JKIE Brc1cc(Br)c(N[C@H]2C[C@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)c(Br)c1 218097940 VZTSUARJDHETSR-YCGCYHNXSA-N 464.039 6.211 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)CCc3cccc(Cl)c3)cc2)cc1 216641779 POZUCQMSASJGEK-UHFFFAOYSA-N 480.948 5.377 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)CCC(=O)c2ccc(C)cc2)cc1 216653080 HCRPVJXXTDKGTC-UHFFFAOYSA-N 488.540 5.062 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)c3ccc(-c4ccccc4)cc3)c2)cc1 216673921 SZNMZPNEORPQFA-UHFFFAOYSA-N 494.547 6.071 70 10 JKIE O=C(NCCCOc1ccc(Br)cc1Cl)Nc1ccc(Cl)c(C(F)(F)F)c1 217298943 OMDVUXPIVDPQQG-UHFFFAOYSA-N 486.115 6.365 70 10 JKIE CCCN[C@@H](Cc1cc(Br)ccc1F)c1cccc(I)c1 160253049 JUAATOXQQUFJHD-KRWDZBQOSA-N 462.144 5.476 70 10 JKIE CCc1ccc([C@H](C)NC(=O)NCCCOc2ccc(C(C)(C)C)cc2Br)cc1 217298502 RJQYBIOAKLNNSE-KRWDZBQOSA-N 461.444 6.138 70 10 JKIE NC[C@@H](c1c(Cl)cccc1Cl)[C@H](O)c1cc(Br)ccc1Br 161262110 GYPOFGIOOLBNSX-ZUZCIYMTSA-N 453.989 5.294 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)CCc3cccc(Cl)c3)c2)cc1 216691803 OQXMVTKOGAETIO-UHFFFAOYSA-N 480.948 5.377 70 10 JKIE CNc1c(C)c(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc(S(=O)(=O)F)c1C 1887519910 MGYTYOZFYQYSLO-UHFFFAOYSA-N 468.550 5.042 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 216631864 UJPVALFSJMHSEW-UHFFFAOYSA-N 474.557 5.702 70 10 JKIE COc1cc(C)c(Br)cc1C(=O)c1cc(Br)ccc1Br 159778081 DLLDCQJRMCVUHP-UHFFFAOYSA-N 462.963 5.522 70 10 JKIE CN[C@H](Cc1ccc(F)cc1Br)c1cc(Br)c(Br)s1 161392380 RVSMGCVIBFBLLI-LLVKDONJSA-N 472.015 5.678 70 10 JKIE N[C@H](c1cc(F)c(Br)cc1F)c1cc(Br)ccc1Br 159870659 XOAVAPMJAYEDFT-ZDUSSCGKSA-N 455.922 5.300 70 10 JKIE CCOc1cc(Cl)c([C@H](O)c2cc(Br)ccc2Br)cc1Cl 161054762 IMZNLQCCRVSFQL-OAHLLOKOSA-N 454.973 5.999 70 10 JKIE Cc1cc(Br)c(S(=O)(=O)Nc2cc(Cl)ccc2C)cc1Br 159550328 JUPSYJSEPLPHMW-UHFFFAOYSA-N 453.583 5.283 70 10 JKIE CCN[C@@H](Cc1cc(Br)ccc1F)c1csc(I)c1 160336066 UJBYJWZYEYPXPM-ZDUSSCGKSA-N 454.146 5.148 70 10 JKIE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@H]([B-](F)(F)F)C1 1902523041 WHKHKMJVBINZRC-UZUQRXQVSA-N 473.324 5.390 70 10 JKIE Cc1cccc(Oc2ccc(S(=O)(=O)Cl)cc2Br)c1I 2295353673 CAAQCXHHQUQQAI-UHFFFAOYSA-N 487.540 5.082 70 10 JKIE CCN[C@@H](c1ccc(F)c(Br)c1)c1cc(Br)ccc1Br 159884076 JGEXACBJVVXLDF-HNNXBMFYSA-N 465.986 5.812 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)CCc3ccc(C)cc3)c2)cc1 216685447 BDJDAMDHIMPNQP-UHFFFAOYSA-N 460.530 5.032 70 10 JKIE COc1cc(C(C)=O)ccc1OCC(=O)Nc1ccccc1-c1csc(-c2ccccc2F)n1 218605597 LCOLNZQJHLFTDX-UHFFFAOYSA-N 476.529 5.845 70 10 JKIE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@](C)([B-](F)(F)F)C1 2303107955 CNPGTCKCUXNCCS-YSBYIQCSSA-N 487.351 5.780 70 10 JKIE CCCN[C@H](Cc1ccc(Cl)cc1Cl)c1cc(Br)c(Br)s1 160430684 MAXNUATWJBIWFR-CYBMUJFWSA-N 472.073 6.863 70 10 JKIE COCCCN1C(=O)c2ccc(NC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2C1=O 217280948 AGYQNJCYLBOEOI-UHFFFAOYSA-N 489.372 5.001 70 10 JKIE CN[C@@H](Cc1ccc(F)cc1Br)c1cc(Br)ccc1Br 161433736 RGFYOWXYCQFXIK-HNNXBMFYSA-N 465.986 5.616 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)/C=C/c3ccc(Cl)cc3)cc2)cc1 216644749 NDPQGENLTJMECN-FRKPEAEDSA-N 478.932 5.457 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)CCc2ccc(Cl)cc2)cc1 216661502 RSVJIWYOZHRCST-UHFFFAOYSA-N 480.948 5.377 70 10 JKIE Cc1ccc(C(=O)Nc2c(Br)cc(N)cc2Br)c(Br)c1 160956717 USCXNRCZCHOFJA-UHFFFAOYSA-N 462.967 5.117 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)CCc3ccccc3Cl)cc2)cc1 216641136 YJUJMFAWWSIJBK-UHFFFAOYSA-N 480.948 5.377 70 10 JKIE O=C(Nc1ccccc1-c1cn2ccsc2n1)C1CCN(c2cc(-c3ccccc3)ncn2)CC1 218567319 CWODENYRLARPMQ-UHFFFAOYSA-N 480.597 5.375 70 10 JKIE CC(C)(C)OC(=O)c1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc([B-](F)(F)F)c1 1887511871 PIMCSYAPMLXNIX-UHFFFAOYSA-N 482.287 6.057 70 10 JKIE CC(C)(C)c1ccc(OCCCNC(=O)Nc2ccc(Br)cn2)c(Br)c1 217298792 SPMGOGFPRAZQAO-UHFFFAOYSA-N 485.220 5.495 70 10 JKIE C[C@H](NC(=O)NCCCOc1ccc(C(C)(C)C)cc1Br)c1ccc2c(c1)CCCC2 217298504 OEOCMJHXFRGULF-SFHVURJKSA-N 487.482 6.455 70 10 JKIE CC(C)[C@@H](C)N(Cc1ccccc1)C(=O)c1cc(Br)cc(S(=O)(=O)Cl)c1 2095895980 NYQBPMIVLOQDHQ-CQSZACIVSA-N 458.805 5.064 70 10 JKIE CC(C)c1ccccc1O[C@H](C)NC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 217291848 IJJMOUPEJKMBMQ-HSZRJFAPSA-N 457.618 5.652 70 10 JKIE Cc1ccc(Cl)cc1NC(=O)NCCCOc1ccc(C(C)(C)C)cc1Br 217298507 YXPUZUCXHWIKFK-UHFFFAOYSA-N 453.808 6.299 70 10 JKIE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@H]2C[C@]2([B-](F)(F)F)C1 2311107720 HFTDQQNVTFSCHO-TVHIAKCQSA-N 499.362 5.780 70 10 JKIE CCN[C@H](Cc1ccc(F)cc1Br)c1cc(Br)ccc1Br 161387621 SPIMAMYIIYPPBZ-MRXNPFEDSA-N 480.013 6.007 70 10 JKIE Cc1cc(C)c(NC(=O)NCCCOc2ccc(C(C)(C)C)cc2Br)c(Cl)c1 217298721 SZFMHBYSIBFUJB-UHFFFAOYSA-N 467.835 6.607 70 10 JKIE CC(C)(C)OC(=O)Nc1cc(Br)ccc1C(=O)N1CCC[C@H]([B-](F)(F)F)C1 2133912514 ITVVQDCWQNXRMZ-NSHDSACASA-N 450.084 5.250 70 10 JKIE CP(Oc1ccccc1)(Oc1ccccc1)(Oc1ccccc1)OS(=O)(=O)C(F)(F)F 137622124 GOTMFHPUXXRQCE-UHFFFAOYSA-N 474.393 5.933 70 10 JKIE CCN(CCc1ccncc1)C(=O)NCCCOc1ccc(C(C)(C)C)cc1Br 217298641 YHLFPHGPJRJEIR-UHFFFAOYSA-N 462.432 5.185 70 10 JKIE C[C@H](CCCC(C)(C)O[Si](C)(C)C)[C@H]1CC[C@H]2C(OS(=O)(=O)C(F)(F)F)=CCC[C@@]21C 1848432727 WHTNCZPMILTAJH-DCXXXQMHSA-N 484.697 6.999 70 10 JKIE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC([B-](F)(F)F)CC1 2216950824 SQJZIQAVOPQFST-MZNJEOGPSA-N 487.351 5.780 70 10 JKIE O=C(N=CC(c1ccccc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 585658504 LZFLZVKBPUCWHW-UHFFFAOYSA-N 483.551 6.112 70 10 JKIE COc1ccc2c(c1O[Si](C)(C)C(C)(C)C)OC(C)(C)C=C2OS(=O)(=O)C(F)(F)F 261363352 GXUMMWITEBVGBK-UHFFFAOYSA-N 468.566 5.457 70 10 JKIE CCOc1ccc(Br)cc1[C@@H](NC)c1cc(Br)ccc1Br 159827308 SVSPPHUOMAJJPI-INIZCTEOSA-N 478.022 5.682 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)CCCOc2ccccc2C)cc1 216656822 AMALSTJNTUWEPE-UHFFFAOYSA-N 490.556 5.258 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)c3cccc4ccccc34)c2)cc1 216681877 UBQIOSBDQLXZTP-UHFFFAOYSA-N 468.509 5.557 70 10 JKIE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC([B-](F)(F)F)CC1 2248884780 AMXMREQQCVWEAL-XMMPIXPASA-N 487.351 5.780 70 10 JKIE C[C@@H](NC(=O)NCCCOc1ccc(Br)cc1Cl)C12CC3CC(CC(C3)C1)C2 217298889 HOKDFMDTCGLJCA-XSXQVXRUSA-N 469.851 5.776 70 10 JKIE Cc1ccc2nc(-c3ccc(NC(=O)NCc4cccc(Br)c4)cc3)sc2c1 217315063 UIKPYLWAPDAAFF-UHFFFAOYSA-N 452.377 6.356 70 10 JKIE Cc1cc(Br)c(C(=O)N2CC[C@](C)([B-](F)(F)F)C2)cc1NC(=O)OC(C)(C)C 2368342187 FBMGKHMSNKDETP-SFHVURJKSA-N 464.111 5.558 70 10 JKIE CCN[C@@H](Cc1cc(Br)ccc1F)c1cc(Br)c(Br)s1 160409443 SVXYDWSSHSIVAJ-LBPRGKRZSA-N 486.042 6.068 70 10 JKIE CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C(OS(=O)(=O)C(F)(F)F)=CC[C@H]32)C1 2042835298 MCIVSCZCJRGEJR-MROOBOTFSA-N 462.530 5.241 70 10 JKIE CCN[C@H](c1cc(Br)ccc1Br)c1ccc(Br)cc1OC 160633981 DFGSCLRJCQACTM-INIZCTEOSA-N 478.022 5.682 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)c2ccc(Br)cc2)cc1 216650469 ZLZISTPIDQSZOG-UHFFFAOYSA-N 497.345 5.167 70 10 JKIE CCOC(=O)Oc1ccc(NC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 217265857 SGWZTHAPDZKXQX-UHFFFAOYSA-N 459.546 5.161 70 10 JKIE CC(C)(C)c1ccc(OCCCNC(=O)NCCc2cccc(F)c2)c(Br)c1 217298783 WVWLSBTWMRVDML-UHFFFAOYSA-N 451.380 5.197 70 10 JKIE Cn1nc(-c2cccs2)cc1C(=O)Nc1ccccc1-c1csc(-c2ccccc2F)n1 218611363 LBHLTEOZWZNTBX-UHFFFAOYSA-N 460.559 6.331 70 10 JKIE O=S(=O)(Cl)c1ccc2c(c1)[C@@H](C(Cl)(Cl)Cl)O[C@H](C(Cl)(Cl)Cl)O2 146664235 HMIRJHQVSJRBPK-JGVFFNPUSA-N 469.384 5.131 70 10 JKIE C[C@H]1CCCN(C(=O)Nc2c(Br)cc(Br)cc2Br)C1 160345113 ACNGUVRBHRHMMO-QMMMGPOBSA-N 454.988 5.238 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)c3ccc(Br)cc3)cc2)cc1 216624671 VZUPXDUDWKIFDS-UHFFFAOYSA-N 497.345 5.167 70 10 JKIE Cc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc(N=[N+]=[N-])cc1OS(=O)(=O)F 1887518957 BBCKXMQXGGZNDA-UHFFFAOYSA-N 482.493 5.569 70 10 JKIE CN[C@H](c1cc(Cl)c(Br)s1)c1cc(C(F)(F)F)ccc1Br 159754036 MSERPZWBGDIUQH-NSHDSACASA-N 463.544 6.254 70 10 JKIE O=S(=O)(Cl)c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1 59148225 PIPLDOHAYAKWPY-UHFFFAOYSA-N 474.985 5.372 70 10 JKIE O=C(NCCCOc1ccc(Br)cc1Cl)Nc1ccccc1Br 217299123 BLJDAMYSLMEUAR-UHFFFAOYSA-N 462.569 5.456 70 10 JKIE O=C(c1cc(Br)ccc1Br)c1cc(Br)cc2c1OCC2 159790535 ALNVYRCVLSAQMU-UHFFFAOYSA-N 460.947 5.140 70 10 JKIE CC[C@H](NC(=O)c1cc(Br)ccc1Br)c1ccc(Br)cc1 160321503 HIUFIAZTPGLQIC-HNNXBMFYSA-N 476.006 5.855 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1 216638145 LBRVMGKNIOBJQH-UHFFFAOYSA-N 476.573 5.307 70 10 JKIE CC(C)(C)c1ccc(OCCCNC(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)c1 217298418 OXOMEWQXSPMKMZ-UHFFFAOYSA-N 474.226 6.644 70 10 JKIE Cc1c(C[B-](F)(F)F)cc(N)cc1N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887521579 BZBYDLVDAKZEQQ-UHFFFAOYSA-N 494.346 5.577 70 10 JKIE COC(=O)c1c(C)c(NC(=O)OCC2c3ccccc3-c3ccccc32)c(C)c([B-](F)(F)F)c1C 1887515921 MQOAMUUFYJJWLA-UHFFFAOYSA-N 482.287 5.814 70 10 JKIE O=C(CCCOc1ccc(Br)cc1Cl)Nc1ccc(CNC(=O)C(F)(F)F)cc1 216794996 SHNZKGSINSXKIP-UHFFFAOYSA-N 493.707 5.079 70 10 JKIE Cc1ccc2nc(-c3ccc(NC(=O)NCCc4ccc(Br)cc4)cc3)sc2c1 217556063 SZSJERHXOUMTQU-UHFFFAOYSA-N 466.404 6.398 70 10 JKIE CCCN[C@@H](c1ccc(C)cc1Br)c1cc(Br)ccc1Br 161028339 CMZCOMGWMSNJBT-KRWDZBQOSA-N 476.050 6.372 70 10 JKIE CCCN[C@@H](c1ccc(C)cc1Br)c1cc(Br)sc1Br 161031098 APEWZOARPVGKNF-AWEZNQCLSA-N 482.079 6.433 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)c3ccccc3Br)c2)cc1 216675019 JRFVQVVVKRZGOT-UHFFFAOYSA-N 497.345 5.167 70 10 JKIE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@H]2C[C@]2([B-](F)(F)F)C1 2257358934 VIBONJDJBMHQOL-QQIMBVITSA-N 499.362 5.780 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)c3cc(Cl)ccc3OC)cc2)cc1 216627676 BGDYOHOQMOJDQC-UHFFFAOYSA-N 482.920 5.066 70 10 JKIE CSc1ccc(NS(=O)(=O)c2cc(Br)c(C)cc2Br)cc1 159532860 ZKGQUISIDOHMHU-UHFFFAOYSA-N 451.205 5.043 70 10 JKIE CC[C@@H](NS(=O)(=O)c1cc(Br)c(C)cc1Br)c1cccs1 159627431 ROFNYPISGXJSTK-GFCCVEGCSA-N 453.221 5.011 70 10 JKIE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@H]([B-](F)(F)F)C1 1902521451 HJJYMHLPQVYFDD-HKARXFIJSA-N 473.324 5.390 70 10 JKIE O=S(=O)(NC[C@H]1CCCN(c2nccs2)C1)c1ccc(-c2cccc(C(F)(F)F)c2)cc1 218193691 HXPZXUNZUQDHTJ-MRXNPFEDSA-N 481.565 5.024 70 10 JKIE O=S(=O)(Cl)c1cc(Br)cc(Cl)c1OCc1ccc(Br)cc1 59080087 CMNYHSCGNQCHGX-UHFFFAOYSA-N 474.985 5.372 70 10 JKIE CCCCCCCCC/C=C/OCCCCCCCCCCC[Si](Cl)(Cl)Cl 198526738 WWCOBDGZMZSPLB-LVZFUZTISA-N 458.030 9.824 70 10 JKIE Cc1c(CC(=O)O)c(C)c([B-](F)(F)F)c(C)c1NC(=O)OCC1c2ccccc2-c2ccccc21 1887515941 PJXIYAFMVNNERV-UHFFFAOYSA-N 482.287 5.654 70 10 JKIE CC(C)c1ccc(O[C@@H](C)NC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 217295904 WFMYVSCFGMXYPH-QHCPKHFHSA-N 457.618 5.652 70 10 JKIE COc1ccc(N=NC(C(C)=O)=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 1084479959 XCAXBDLPTSQIBL-UHFFFAOYSA-N 452.494 5.492 70 10 JKIE CC(C)(C)OC(=O)Nc1cc(C(=O)N2CC[C@@](C)([B-](F)(F)F)C2)ccc1Br 2342485183 JFDXQKSUPKFJPS-QGZVFWFLSA-N 450.084 5.250 70 10 JKIE Cc1cc(C)c(N[C@@H](C)c2ccc(Br)cc2Br)c(Br)c1 159753961 LXGFZNSVQJIERJ-NSHDSACASA-N 462.023 6.764 70 10 JKIE Cc1ccc(NC(=O)NCCCOc2ccc(C(C)(C)C)cc2Br)c(Br)c1 217298736 PEFJENADGVOUBD-UHFFFAOYSA-N 498.259 6.408 70 10 JKIE COc1ccc(-c2cc(N3CCC(C(=O)Nc4ccccc4-c4csc(C)n4)CC3)ncn2)cc1 218601176 DWIZLDSBQPXJMJ-UHFFFAOYSA-N 485.613 5.439 70 10 JKIE Cc1cc(Br)c(C(=O)N2CC[C@H]([B-](F)(F)F)C2)cc1NC(=O)OC(C)(C)C 2342475101 OQXWATBGXGGWMD-NSHDSACASA-N 450.084 5.168 70 10 JKIE CCN[C@@H](c1cc(Br)c(C)cc1Br)c1c(F)cccc1Br 160867448 JWKSPHDTEVCMCW-INIZCTEOSA-N 480.013 6.121 70 10 JKIE Cc1cc(Br)c(NC(=O)c2cc(C)ccc2Br)c(Br)c1 161483796 LEUHMUBDCVMDJJ-UHFFFAOYSA-N 461.979 5.843 70 10 JKIE COc1cc(Br)c(C(=O)c2cc(Br)ccc2Br)cc1OC 159748987 NDWLISKQAHJABX-UHFFFAOYSA-N 478.962 5.222 70 10 JKIE CCCN[C@@H](c1cc(C)ccc1Br)c1cc(Br)ccc1Br 161452272 YBPAJAVSBZGJBA-KRWDZBQOSA-N 476.050 6.372 70 10 JKIE CCCc1ccc(OCC(=O)Nc2ccccc2CNC(=O)c2ccc(OC(=O)OCC)cc2)cc1 216655568 RYRODTBCLYYXMO-UHFFFAOYSA-N 490.556 5.122 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)CCCOc2ccccc2C)cc1 216656882 GJOXHRYZVBODBP-UHFFFAOYSA-N 490.556 5.258 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)/C=C(\C)C3CCCC3)c2)cc1 216696621 QFEQBASXJGUYPF-OBGWFSINSA-N 450.535 5.227 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)c3c(F)cccc3Cl)cc2)cc1 216638531 BIKSXRIVPSVUFA-UHFFFAOYSA-N 470.884 5.197 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)/C=C/c2ccccc2Cl)cc1 216668876 QOJZPYFMDNHNCP-DTQAZKPQSA-N 478.932 5.457 70 10 JKIE CCOc1cc(NC(=O)NCCc2ccc(Br)cc2)cc(OCC)c1OCC 217275300 WFQWFDVHMVKAGV-UHFFFAOYSA-N 451.361 5.009 70 10 JKIE CCCOc1ccc([C@H](O)c2cc(Br)ccc2Br)cc1Br 161057056 OAYFZPONZDWWOA-INIZCTEOSA-N 479.006 5.845 70 10 JKIE CN[C@@H](c1ccc(F)c(Br)c1)c1cc(Br)ccc1Br 159883639 HFKXCUNDUIGRAC-AWEZNQCLSA-N 451.959 5.422 70 10 JKIE S=C1OC(/C=C\c2ccccc2)=NC1=P(c1ccccc1)(c1ccccc1)c1ccccc1 103907554 YXAJSNQUWLHUKA-DQRAZIAOSA-N 463.542 5.580 70 10 JKIE Cc1ccc(N=NC(C(=O)c2ccccc2)=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 2059854727 GHRCYOJIXNVBDD-UHFFFAOYSA-N 498.566 7.086 70 10 JKIE CC(C)(C)OC(=O)Nc1ccc(Br)c(C(=O)N2CCC[C@@H]([B-](F)(F)F)C2)c1 2133911731 CBIWXFCTIOCARZ-LLVKDONJSA-N 450.084 5.250 70 10 JKIE Brc1cc(Br)c(NC2=NCC3(CCCC3)CS2)c(Br)c1 160206805 GOECBMSYTIKSKB-UHFFFAOYSA-N 483.067 6.049 70 10 JKIE O=C(CCCOc1ccc(Br)cc1Cl)NCc1ccc(NC(=O)C(F)(F)F)cc1 216795059 AXKOLPJUGMNCGQ-UHFFFAOYSA-N 493.707 5.079 70 10 JKIE O=C(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1ccc(N2CCOCC2)cc1 218611586 FHMZULBESRMADQ-UHFFFAOYSA-N 459.546 5.705 70 10 JKIE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@H]([B-](F)(F)F)C1 1902511375 HJJYMHLPQVYFDD-QQMNAOGKSA-N 473.324 5.390 70 10 JKIE CCCN[C@@H](c1cc(Br)c(Br)s1)c1ccc(Br)cc1OC 160655472 QUKHMRHPALZPQD-CQSZACIVSA-N 498.078 6.133 70 10 JKIE CCN[C@H](Cc1ccc(Br)s1)c1cc(Br)ccc1Br 160758366 QYZJMXLDQALBQQ-CYBMUJFWSA-N 468.052 5.929 70 10 JKIE C[C@@H](c1cc(Br)cc(Br)c1NC(=O)OC(C)(C)C)S(=O)(=O)Cl 1952631846 JRTPPMOJGVDMBC-ZETCQYMHSA-N 477.602 5.188 70 10 JKIE COc1cc(Br)c([C@H](N)c2cc(Br)ccc2Br)cc1OC 159805747 ACJKSSIQFRRSSR-OAHLLOKOSA-N 479.994 5.039 70 10 JKIE CN[C@@H](c1cc(Br)ccc1Br)c1c(F)cccc1Br 160802808 BEQNGHQNRBUPRI-AWEZNQCLSA-N 451.959 5.422 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)c3cc(Cl)ccc3Cl)c2)cc1 216682571 BWNCDMJNIFTDSL-UHFFFAOYSA-N 487.339 5.711 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)/C=C/c3cccc(Cl)c3)c2)cc1 216694025 RYYMXPNUHXYUEO-NTEUORMPSA-N 478.932 5.457 70 10 JKIE N[C@H](Cc1ccc(F)cc1Br)c1cc(Br)ccc1Br 161434107 IKTINPWPCXYSQQ-CQSZACIVSA-N 451.959 5.356 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)/C=C/c3ccccc3C)cc2)cc1 216643007 FVYVPUUVDZCTOJ-SFQUDFHCSA-N 458.514 5.112 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)c3ccc(Br)cc3)c2)cc1 216675573 NIWFBQOTLMIYBM-UHFFFAOYSA-N 497.345 5.167 70 10 JKIE CC(C)C1=C(C(C)(C)C)C(c2ccc(F)cc2)=C(/C=C/C=O)[C@@H](C(C)C)N1CO[SiH](C)C 201097215 QVMQKMMRDZAMAF-CFQHJMILSA-N 457.706 6.588 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)/C=C/c3ccc(C)cc3)c2)cc1 216694215 MVBIHJHMDKSVEB-LFIBNONCSA-N 458.514 5.112 70 10 JKIE Cc1ccc(NC(=O)NCCCOc2ccc(C(C)(C)C)cc2Br)cc1Cl 217298419 GXUCWNKFTVOWQH-UHFFFAOYSA-N 453.808 6.299 70 10 JKIE Cc1cc2ncc(CCCNS(=O)(=O)c3c(C(C)C)cc(C(C)C)cc3C(C)C)cn2n1 218048413 PKGSGVNBDMHEEY-UHFFFAOYSA-N 456.656 5.319 70 10 JKIE NC[C@H](c1ccc(Cl)c(Cl)c1)[C@H](O)c1cc(Br)ccc1Br 161272093 ZHJOEPUSPRQMSQ-IAQYHMDHSA-N 453.989 5.294 70 10 JKIE Cc1c(NC(=O)OCC2c3ccccc3-c3ccccc32)cc(CC(=O)O)cc1[B-](F)(F)F 1887519741 IVWUHNTXTHRVIB-UHFFFAOYSA-N 454.233 5.038 70 10 JKIE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@H]2C[C@@]2([B-](F)(F)F)C1 2243929346 RXNBSSIBYAPMHN-IVCQMTBJSA-N 471.308 5.144 70 10 JKIE CN[C@H](c1cc(Br)ccc1Br)c1ccc(Br)cc1OC 160627137 NKYKSRRPFFJISA-HNNXBMFYSA-N 463.995 5.292 70 10 JKIE CCCN[C@H](Cc1ccc(Br)s1)c1cc(Br)ccc1Br 160716430 HHMRQLFYDYOGEK-CQSZACIVSA-N 482.079 6.319 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)CC34CC5CC(CC(C5)C3)C4)c2)cc1 216676644 SDRHGKDDDWRNND-UHFFFAOYSA-N 490.600 5.697 70 10 JKIE CCCCCN(C(=O)CCCCl)[C@H](CC)c1nc2ccccc2c(=O)n1-c1ccc(OCC)cc1 35061160 NSCYAVHKAWWRKB-RUZDIDTESA-N 498.067 6.273 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)CCc2cccc(C)c2)cc1 216666891 ZPGXMYVWFCMXJF-UHFFFAOYSA-N 460.530 5.032 70 10 JKIE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@H]2C[C@@]2([B-](F)(F)F)C1 2018401081 FYKHGYSEWJEJAK-RXMJPHHWSA-N 485.335 5.390 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)COc3c(C)ccc(C)c3C)c2)cc1 216681177 AKKBKGULCVFRBZ-UHFFFAOYSA-N 490.556 5.095 70 10 JKIE CCCOc1ccc([C@@H](O)c2cc(Br)ccc2Br)cc1Br 161057171 OAYFZPONZDWWOA-MRXNPFEDSA-N 479.006 5.845 70 10 JKIE Cc1ccc2nc(-c3ccc(NC(=O)N[C@H]4CC(=O)N([C@H](C)c5ccccc5)C4)cc3)sc2c1 217284747 LVPFUILRULZZPE-GCJKJVERSA-N 470.598 5.755 70 10 JKIE O=S(=O)(OCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C(F)(F)F 1880075134 LYVJBTJQVKBRCG-UHFFFAOYSA-N 452.450 5.211 70 10 JKIE Cc1c(NC(=O)OCC2c3ccccc3-c3ccccc32)c(C)c([B-](F)(F)F)c(C)c1C(=O)O 1887515465 XKCKPVVLFASEAH-UHFFFAOYSA-N 468.260 5.725 70 10 JKIE CCOC(=O)c1cc2cc(Cl)c(Cl)cc2c(OS(=O)(=O)C(F)(F)F)c1Cl 575182392 JYHXOVVYFFGDDT-UHFFFAOYSA-N 451.633 5.205 70 10 JKIE N[C@H](c1cc(Br)ccc1Br)c1cc(C(F)(F)F)ccc1Br 159735045 JYYDCPDVMOFKEB-ZDUSSCGKSA-N 487.939 6.041 70 10 JKIE CC(C)CCCCCCNC(=O)c1cc(Br)ccc1I 218174675 RZNQHMXPDMIGHF-UHFFFAOYSA-N 452.174 5.390 70 10 JKIE N#CC(C1=NC(=O)/C(=C/c2ccccc2)S1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 105913192 FKWMCTBTXMIIGW-HFTWOUSFSA-N 488.552 5.389 70 10 JKIE N[C@@H](Cc1ccc(F)cc1Br)c1cc(Br)ccc1Br 161433987 IKTINPWPCXYSQQ-AWEZNQCLSA-N 451.959 5.356 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 216663744 ZSICEDIBJITHLA-UHFFFAOYSA-N 476.573 5.307 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)c2cccc(Br)c2)cc1 216650988 AYUKSCPCNDONQN-UHFFFAOYSA-N 497.345 5.167 70 10 JKIE CC(C)(C)OC(=O)Nc1cc(Br)cc(C(=O)N2CC[C@H]3C[C@]3([B-](F)(F)F)C2)c1 2194131791 FEONULFUQGLGNZ-SGTLLEGYSA-N 462.095 5.250 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)c2cc(Cl)ccc2Cl)cc1 216657898 CWVVSVATMJATRQ-UHFFFAOYSA-N 487.339 5.711 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)/C=C(\C)C2CCCC2)cc1 216672006 IGNWEAYGMJMAHO-FBMGVBCBSA-N 450.535 5.227 70 10 JKIE CN(CCN(Cc1ccccc1)c1nc2ccc([B-](F)(F)F)cc2s1)Cc1ccccc1 2253401860 GLCBWNDYNLMZKD-UHFFFAOYSA-N 454.350 5.489 70 10 JKIE COC(=O)Cc1cc([B-](F)(F)F)cc(N(C)C(=O)OCC2c3ccccc3-c3ccccc32)c1C 1887520815 GVXQGXLPTNWEIZ-UHFFFAOYSA-N 482.287 5.150 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)CCC2CCCCC2)cc1 216659510 CUWVUHSJLYHJKN-UHFFFAOYSA-N 452.551 5.451 70 10 JKIE CCCN[C@@H](Cc1ccc(F)cc1Cl)c1cc(Br)c(Br)s1 160533738 XWHMJWKLLVMUCA-ZDUSSCGKSA-N 455.618 6.349 70 10 JKIE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC[C@H]([B-](F)(F)F)C2)cc1I 2133912350 HTGVXETWYDKZPN-LBPRGKRZSA-N 497.084 5.092 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3)cc2)cc1 216629964 IICCNKFSALMSML-QGZVFWFLSA-N 496.947 5.211 70 10 JKIE Cc1cc(I)ccc1NC(=O)N/C=C/c1ccccc1Br 217848394 BXXGGGOGNHJCKX-CMDGGOBGSA-N 457.109 5.155 70 10 JKIE CCN[C@@H](c1cc(C)c(Br)cc1C)c1cc(Br)ccc1Br 159870229 DQYIGPMULFPWFC-KRWDZBQOSA-N 476.050 6.290 70 10 JKIE CC(C)(C)c1ccc(OCCCNC(=O)Nc2ccc(F)c(F)c2F)c(Br)c1 217298748 DBCOCASKPJDLGY-UHFFFAOYSA-N 459.306 5.755 70 10 JKIE COC(=O)Cc1cc(N(C)C(=O)OCC2c3ccccc3-c3ccccc32)cc([B-](F)(F)F)c1C 1887505514 IYGOJQVEOPTNQT-UHFFFAOYSA-N 482.287 5.150 70 10 JKIE O=C(NCCCOc1ccc(Br)cc1Cl)Nc1ccc(Oc2ccccc2)cc1 217298919 SNIGHDIHTWXVTJ-UHFFFAOYSA-N 475.770 6.485 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)c3cc(Cl)ccc3OC)c2)cc1 216678963 DQPZEJYSZUECQD-UHFFFAOYSA-N 482.920 5.066 70 10 JKIE CC[C@@H](NC(=O)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1ccc2c(c1)CCCC2 217281185 QMMDXDZMIHMSJM-RUZDIDTESA-N 459.590 5.767 70 10 JKIE CC(C)(C)c1ccc(OCCCNC(=O)Nc2ccc(N3CCCCC3)cc2)c(Br)c1 217298644 SGZPRFXQSJQHIA-UHFFFAOYSA-N 488.470 6.328 70 10 JKIE O=C(Nc1ccc(Nc2ccccc2)cc1)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 217281303 YGMZTLZDUNLLKT-UHFFFAOYSA-N 454.530 6.003 70 10 JKIE Cc1c(Cl)cccc1NC(=O)NCCCOc1ccc(C(C)(C)C)cc1Br 217298423 XKKZVQVKNMEWHK-UHFFFAOYSA-N 453.808 6.299 70 10 JKIE CC(C)(C)c1ccc(OCCCNC(=O)Nc2ccc(F)c(Cl)c2)c(Br)c1 217298682 VMFPWLDNCZXQHV-UHFFFAOYSA-N 457.771 6.130 70 10 JKIE CCCCN(C(=O)C(C)(C)CCl)[C@@H](C)c1nc2ccccc2c(=O)n1-c1cccc(C)c1 35065435 IGQVCHYIADSAIU-IBGZPJMESA-N 454.014 5.649 70 10 JKIE COc1ccc(Br)cc1[C@H](O)c1cc(Br)ccc1Br 161019612 XBQGWYGCFSWYFG-CQSZACIVSA-N 450.952 5.064 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)c2cc(Cl)ccc2OC)cc1 216653396 CWEQFSYTNLFVIC-UHFFFAOYSA-N 482.920 5.066 70 10 JKIE CN[C@H](c1cc(Cl)c(OC)cc1Cl)c1cc(Br)ccc1Br 159902548 FPHYMKUHXFLILF-HNNXBMFYSA-N 453.989 5.836 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)c3ccc(Cl)c(Cl)c3)c2)cc1 216673168 HUQXBXMMXGAQSI-UHFFFAOYSA-N 487.339 5.711 70 10 JKIE C[C@@H](COCc1ccccc1)COc1c(Br)cc(S(=O)(=O)F)cc1Br 2071420240 CMBOPTODCGVSGL-LBPRGKRZSA-N 496.192 5.102 70 10 JKIE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC([B-](F)(F)F)CC1 2216950825 SQJZIQAVOPQFST-OSPHWJPCSA-N 487.351 5.780 70 10 JKIE CCCCN(C(=O)C(C)(C)CCl)[C@H](C)c1nc2ccccc2c(=O)n1-c1cccc(C)c1 35065437 IGQVCHYIADSAIU-LJQANCHMSA-N 454.014 5.649 70 10 JKIE C[C@H](CS(=O)(=O)Cl)c1cc(Br)cc(Br)c1NC(=O)OC(C)(C)C 1952631614 INEKOCAEGCWNKA-MRVPVSSYSA-N 491.629 5.231 70 10 JKIE O=S(=O)(Cl)c1cc(Br)c(OCCCOCc2ccccc2)c(Br)c1 310386280 KBYLEABNXPFGTF-UHFFFAOYSA-N 498.620 5.125 70 10 JKIE Cc1cc(Br)c(S(=O)(=O)Nc2ccc(F)cc2Cl)cc1Br 159547971 UERRXDBEYAINRE-UHFFFAOYSA-N 457.546 5.113 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)CCc3ccccc3C)cc2)cc1 216640807 SGPOJRAETPLYKF-UHFFFAOYSA-N 460.530 5.032 70 10 JKIE O=C(NCCCOc1ccc(Br)cc1Cl)Nc1ccc(C(F)(F)F)cc1 217299166 XVHPRDJBAYBKRE-UHFFFAOYSA-N 451.670 5.712 70 10 JKIE O=C(CCn1cnc2ccccc2c1=O)Nc1ccccc1-c1csc(-c2ccccc2F)n1 218607557 WYCFWJARLBYDPS-UHFFFAOYSA-N 470.529 5.355 70 10 JKIE CCCN[C@H](Cc1ccc(F)cc1Br)c1ccccc1I 161311146 FRZJIOUVCAHDCA-QGZVFWFLSA-N 462.144 5.476 70 10 JKIE CC(C)(C)OC(=O)Nc1cc(C(=O)N2CC[C@@H]3C[C@@]3([B-](F)(F)F)C2)ccc1Br 2194135046 ZZXFBDGLHVOGGS-KZULUSFZSA-N 462.095 5.250 70 10 JKIE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@H]2C[C@@]2([B-](F)(F)F)C1 2018401084 FYKHGYSEWJEJAK-WVTMANGGSA-N 485.335 5.390 70 10 JKIE CC(C)(C)OC(=O)Nc1c(Br)cc(Br)cc1C(C)(C)S(=O)(=O)F 1952845891 ZPTXPKKOHHINRN-UHFFFAOYSA-N 475.174 5.093 70 10 JKIE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@H]2C[C@]2([B-](F)(F)F)C1 2073758774 HFTDQQNVTFSCHO-WWOGPQDCSA-N 499.362 5.780 70 10 JKIE CN[C@H](c1ccc2cc(Br)ccc2c1)c1cc(Br)c(Br)s1 159581506 GFIHBRUQJMJZJZ-OAHLLOKOSA-N 490.058 6.498 70 10 JKIE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@@H]([B-](F)(F)F)C1 2016103853 QRWHUVCSYAQHJI-RHGYRFJNSA-N 487.351 5.780 70 10 JKIE Cc1cc(Br)c(S(=O)(=O)Nc2ccc(Cl)c(F)c2)cc1Br 159600740 BJABVOCICSHFHL-UHFFFAOYSA-N 457.546 5.113 70 10 JKIE O=S(=O)(Cl)c1ccc(Oc2cc(Cl)cc(Br)c2)c(Br)c1 697997643 QHCKIBHSAAKGOK-UHFFFAOYSA-N 460.958 5.585 70 10 JKIE Cc1cc(Br)c([C@H](N)c2c(F)cccc2Br)cc1Br 160866949 JWTFJCRDMWXVFK-AWEZNQCLSA-N 451.959 5.470 70 10 JKIE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@H]2C[C@@]2([B-](F)(F)F)C1 2257358929 VIBONJDJBMHQOL-AKRGNFOKSA-N 499.362 5.780 70 10 JKIE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@H]2C[C@@]2([B-](F)(F)F)C1 2257358935 VIBONJDJBMHQOL-RTFHYFGRSA-N 499.362 5.780 70 10 JKIE COc1ccc(-c2cn3c(C)c(C(=O)Nc4ccccc4-c4csc(C)n4)sc3n2)cc1 218601787 SMKANVDWUQIWDU-UHFFFAOYSA-N 460.584 6.064 70 10 JKIE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@](C)([B-](F)(F)F)C1 2303100803 CAQAFWITPQOQSG-OZXSUGGESA-N 487.351 5.780 70 10 JKIE O=C(NCCCOc1ccccc1Cl)N1CCN(C(c2ccccc2)c2ccccc2)CC1 217299878 DEHOLBZXUJSLRL-UHFFFAOYSA-N 464.009 5.226 70 10 JKIE CC(C)(C)c1ccc(OCCCNC(=O)NC2CCCCCCCCCCC2)c(Br)c1 217298541 KNXXEXYBQZXWED-UHFFFAOYSA-N 495.546 7.488 70 10 JKIE CC(C)(C)c1ccc(OCCCNC(=O)Nc2cccc3cccnc23)c(Br)c1 217298699 MYOXUCOJRGMHKT-UHFFFAOYSA-N 456.384 5.885 70 10 JKIE Cc1cc(Br)c(S(=O)(=O)Nc2cccc(Cl)c2C)cc1Br 159532433 CQGOBHCIQBKCFX-UHFFFAOYSA-N 453.583 5.283 70 10 JKIE O=S(=O)(Cl)c1cc(Cl)c(Oc2ccccc2I)cc1Cl 2234468699 PHIDETJIYAUMAA-UHFFFAOYSA-N 463.507 5.318 70 10 JKIE COc1c(C)cc(Br)c(C)c1[C@H](O)c1cc(Br)ccc1Br 161055511 HVFYFDHAQZLERB-OAHLLOKOSA-N 479.006 5.681 70 10 JKIE Cc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)c(Br)c1 217281423 PSFUIFKRPTYPEU-UHFFFAOYSA-N 456.340 5.330 70 10 JKIE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@H]2C[C@@]2([B-](F)(F)F)C1 2018401082 FYKHGYSEWJEJAK-UIIQVKDUSA-N 485.335 5.390 70 10 JKIE O=C(Nc1ccccc1-c1cn2ccsc2n1)[C@H]1CCCCN1c1ccc(-c2cccs2)nn1 218569145 ABKDXPMIKLTXOL-OAQYLSRUSA-N 486.626 5.579 70 10 JKIE Cc1ccc(NC(=O)NCCCOc2ccc(Br)cc2Cl)c(Br)c1 217299149 XLKOYXBWQFLSKV-UHFFFAOYSA-N 476.596 5.764 70 10 JKIE CC[C@@H](c1nc2ccccc2c(=O)n1-c1ccc(OC)cc1)N(CCC(C)C)C(=O)CCCCl 35068324 UXUBDHQCLMAOPO-DEOSSOPVSA-N 484.040 5.739 70 10 JKIE CCCN[C@H](Cc1cc(F)ccc1Br)c1ccccc1I 161484087 UUKWLTSPKCOLBE-QGZVFWFLSA-N 462.144 5.476 70 10 JKIE Cc1ccc2nc(-c3ccc(NC(=O)Nc4ccc5c(c4)C(=O)N(CC(C)C)C5=O)cc3)sc2c1 217279743 HYDFJFZDIJMWCW-UHFFFAOYSA-N 484.581 6.168 70 10 JKIE CC(C)(C)c1ccc(OCCCNC(=O)Nc2ccccc2N2CCOCC2)c(Br)c1 217298642 WAURGLBTXDWWIH-UHFFFAOYSA-N 490.442 5.174 70 10 JKIE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC([B-](F)(F)F)CC2)cc1Br 2231045359 SRDUBOLEVGXQQO-UHFFFAOYSA-N 450.084 5.250 70 10 JKIE C[C@]1([B-](F)(F)F)CCN(C(=O)c2cc(Cl)cc(Cl)c2I)C1 2368423386 QKKKQPKHXSORRT-LBPRGKRZSA-N 450.842 5.052 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)/C=C/c3ccc(C)cc3)cc2)cc1 216644407 AKOAXQMSSCKFIH-LICLKQGHSA-N 458.514 5.112 70 10 JKIE O=C(NCCCOc1ccc(Br)cc1Cl)Nc1cc(Cl)ccc1Cl 217298838 HJQFBRMJKFFHSQ-UHFFFAOYSA-N 452.563 6.000 70 10 JKIE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@](C)([B-](F)(F)F)C2)cc1I 2342476179 XBMPLAWHXZKFCX-KRWDZBQOSA-N 497.084 5.092 70 10 JKIE CC(C)(C)OC(=O)Nc1cc(C(=O)N2CCC([B-](F)(F)F)CC2)ccc1Br 2231044869 NYYZYZBEFAWVML-UHFFFAOYSA-N 450.084 5.250 70 10 JKIE CCN[C@H](c1cc(Br)ccc1Br)c1c(F)cccc1Br 160816422 JIUYTSKFHLUQQB-OAHLLOKOSA-N 465.986 5.812 70 10 JKIE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@](C)([B-](F)(F)F)C1 2303107867 CAQAFWITPQOQSG-BVAGGSTKSA-N 487.351 5.780 70 10 JKIE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC[C@@H]([B-](F)(F)F)C2)cc1Br 2133912531 IXIQKPMRRSCYQJ-GFCCVEGCSA-N 450.084 5.250 70 10 JKIE CC(C)(C)OC(=O)Nc1cc(I)cc(C(=O)N2CCC[C@H]([B-](F)(F)F)C2)c1 2133911150 ADKTVDYMVSHQOO-LBPRGKRZSA-N 497.084 5.092 70 10 JKIE CC(C)(C)OC(=O)Nc1cc(Br)cc(C(=O)N2CCC[C@@H]([B-](F)(F)F)C2)c1 2133911395 AZAGVSXZDJXUSW-GFCCVEGCSA-N 450.084 5.250 70 10 JKIE O=C(NCCCOc1ccc(Br)cc1Cl)Nc1cccc(Br)c1 217299080 PSVSJESVKDXEQX-UHFFFAOYSA-N 462.569 5.456 70 10 JKIE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@H]([B-](F)(F)F)C1 1902523040 WHKHKMJVBINZRC-SBUREZEXSA-N 473.324 5.390 70 10 JKIE C[C@H](Cc1cc(Br)cc(Br)c1NC(=O)OC(C)(C)C)S(=O)(=O)Cl 1952735276 LYJZZNQJXZHXBY-MRVPVSSYSA-N 491.629 5.058 70 10 JKIE CC(C)C1=C(C(C)(C)C)C(c2ccc(F)cc2)=C(/C=C\C=O)[C@H](C(C)C)N1CO[SiH](C)C 201097256 QVMQKMMRDZAMAF-BOWHEOPPSA-N 457.706 6.588 70 10 JKIE CN[C@H](c1cc(Br)c(C)cc1Br)c1c(F)cccc1Br 160867320 ZBUKHXOXKJLXOH-OAHLLOKOSA-N 465.986 5.730 70 10 JKIE Cc1cc(Br)c([C@@H](N)c2c(F)cccc2Br)cc1Br 160867057 JWTFJCRDMWXVFK-CQSZACIVSA-N 451.959 5.470 70 10 JKIE COc1cc(Br)cc(C)c1NC(=O)c1cc(Br)ccc1Br 160176357 WNLKCHAACNKKIV-UHFFFAOYSA-N 477.978 5.543 70 10 JKIE CC(C)=C(Br)COc1c(Cl)cc(Br)cc1S(=O)(=O)Cl 2340312672 JMCQGDXQTHHGKL-UHFFFAOYSA-N 452.979 5.098 70 10 JKIE N[C@@H](c1cc(Br)ccc1Br)c1ccc(Br)c2ccccc12 159882692 CGXABROYFBJDNA-QGZVFWFLSA-N 470.002 6.175 70 10 JKIE Fc1cc(Cl)cc(CNc2c(Br)cc(Br)cc2Br)c1 160828847 NGWVAGAUEUCHGD-UHFFFAOYSA-N 472.377 6.379 70 10 JKIE Cc1ccc2nc(-c3ccc(NC(=O)NCOc4ccc(Cl)cc4Cl)cc3)sc2c1 217297432 SMXZKIIUWZVGGK-UHFFFAOYSA-N 458.370 6.737 70 10 JKIE CCc1cccc(CC)c1NC(=O)NCCCOc1ccc(C(C)(C)C)cc1Br 217298505 XDGGLBLTFNJPIS-UHFFFAOYSA-N 461.444 6.462 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)CCC(=O)c3ccc(C)cc3)cc2)cc1 216627240 MNJBPLIMMJOJQY-UHFFFAOYSA-N 488.540 5.062 70 10 JKIE Cc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc(N=[N+]=[N-])cc1[B-](F)(F)F 1887519909 MDRWETRNOYZWMU-UHFFFAOYSA-N 451.237 6.030 70 10 JKIE C[C@H](NC(=O)c1cc(Br)ccc1Br)c1ccc(Cl)c(Cl)c1 160260954 FIJDWDXUJGEQKX-QMMMGPOBSA-N 451.973 6.009 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)c2cccc(Cl)c2)cc1 216650745 VURCYNPAJNQPFW-UHFFFAOYSA-N 452.894 5.058 70 10 JKIE O=C(c1cc(Cl)cc(Cl)c1I)N1CCC[C@H]([B-](F)(F)F)C1 2190457521 FMKYBNYJNCUUPA-ZETCQYMHSA-N 450.842 5.052 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)CCc2ccc(C)cc2)cc1 216661120 MQCNKHXUXMWWBO-UHFFFAOYSA-N 460.530 5.032 70 10 JKIE O=C(NCCCOc1ccc(Br)cc1Cl)NC1CCCCCCCCCCC1 217298953 AXWGUTGBLAIIGI-UHFFFAOYSA-N 473.883 6.844 70 10 JKIE CCCN[C@H](c1cc(Br)c(Br)s1)c1c(F)cccc1Br 160863338 DSAAFDKPZJTACC-CYBMUJFWSA-N 486.042 6.264 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)CCc2ccccc2Cl)cc1 216666688 SNHORIHKRJYNET-UHFFFAOYSA-N 480.948 5.377 70 10 JKIE CCOC(=O)C(N=Nc1ccccc1)=P(/C=C\c1ccccc1)(c1ccccc1)c1ccccc1 254761852 KHRQDIYXGARDHK-QJMFGOGFSA-N 478.532 6.803 70 10 JKIE C[C@H](NC(=O)c1cc(Br)ccc1I)c1ccc(Cl)cc1 217461485 WICJHWLVJDWFDS-VIFPVBQESA-N 464.528 5.198 70 10 JKIE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@H]([B-](F)(F)F)C1 1902511374 HJJYMHLPQVYFDD-MFEFFIJZSA-N 473.324 5.390 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)CC34CC5CC(CC(C5)C3)C4)cc2)cc1 216625338 FZGKOWMPQCTNMN-UHFFFAOYSA-N 490.600 5.697 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)c3ccccc3C(F)(F)F)cc2)cc1 216633348 IUYXFNLCGOCTFL-UHFFFAOYSA-N 486.446 5.423 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1 216655858 AZFCXCKKONIHKA-KRWDZBQOSA-N 496.947 5.211 70 10 JKIE O=C(CCCOc1ccc(Br)cc1Cl)Nc1ccccc1CNC(=O)C(F)(F)F 216815074 BDRUGEATBWSMMB-UHFFFAOYSA-N 493.707 5.079 70 10 JKIE CCCCCN(C(=O)CCCCl)[C@@H](CC)c1nc2ccccc2c(=O)n1-c1ccc(OCC)cc1 35061157 NSCYAVHKAWWRKB-VWLOTQADSA-N 498.067 6.273 70 10 JKIE Fc1cc(Cl)ccc1CNc1c(Br)cc(Br)cc1Br 160676575 SILFXPLEZRYFOW-UHFFFAOYSA-N 472.377 6.379 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)/C=C/c3cccc(Cl)c3)cc2)cc1 216644145 FMRVCHJQOLACBL-OVCLIPMQSA-N 478.932 5.457 70 10 JKIE O=C(CCCOc1ccc(Br)cc1Cl)Nc1ccc(NC(=O)C(F)(F)F)cc1 216756226 XYDCJDJKIANPHZ-UHFFFAOYSA-N 479.680 5.401 70 10 JKIE Cc1c(S)cc(CNC(=O)OCC2c3ccccc3-c3ccccc32)c(C)c1[B-](F)(F)F 1887510663 RELSKXQEPKSOIU-UHFFFAOYSA-N 456.318 5.685 70 10 JKIE CN[C@H](Cc1cc(Br)ccc1F)c1cc(Br)c(Br)s1 160348042 LZKHAFQHDLJBLU-LLVKDONJSA-N 472.015 5.678 70 10 JKIE O=C(CCCOc1ccc(Br)cc1Cl)Nc1ccccc1NC(=O)C(F)(F)F 216778994 XYSDYRCOPRVHLF-UHFFFAOYSA-N 479.680 5.401 70 10 JKIE Cc1ccc2nc(-c3ccc(NC(=O)NCCCN4C(=O)c5ccccc5C4=O)cc3)sc2c1 217306255 SVPUXEHTOUATBI-UHFFFAOYSA-N 470.554 5.080 70 10 JKIE CC(C)(C)OC(=O)Nc1cc(Br)ccc1C(=O)N1CC[C@@H]2C[C@@]2([B-](F)(F)F)C1 2194133496 PSTDYRGIAUQFEL-ADLMAVQZSA-N 462.095 5.250 70 10 JKIE COc1cc(Br)ccc1[C@H](N)c1cc(Br)c(C)cc1Br 160657215 KUTRDRDQQFRRJY-HNNXBMFYSA-N 463.995 5.339 70 10 JKIE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H]([B-](F)(F)F)C1 2016103854 QRWHUVCSYAQHJI-XFAGBWLFSA-N 487.351 5.780 70 10 JKIE CC(C)(C)OC(=O)Nc1cc(Br)ccc1C(=O)N1CCC[C@@H]([B-](F)(F)F)C1 2133912513 ITVVQDCWQNXRMZ-LLVKDONJSA-N 450.084 5.250 70 10 JKIE CC(C)(C)c1ccc(OCCCNC(=O)NCCCCc2ccccc2)c(Br)c1 217298797 SILSXSIZBIUFIJ-UHFFFAOYSA-N 461.444 5.838 70 10 JKIE O=C(NCCCOc1ccc(Br)cc1Cl)Nc1c(Cl)cccc1Cl 217299135 FXNOUAGBFQTJLM-UHFFFAOYSA-N 452.563 6.000 70 10 JKIE CCN(CC)c1ccc(NC(=O)NCCCOc2ccc(Br)cc2Cl)c(C)c1 217299138 WAEKMTVXDLHACM-UHFFFAOYSA-N 468.823 5.848 70 10 JKIE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@@H]([B-](F)(F)F)C1 1988763521 CDKJUKNTZKRDLS-HXOBKFHXSA-N 473.324 5.390 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)c3ccc(-n4cccc4)cc3)c2)cc1 216682862 BWJMTWIXFKRVFH-UHFFFAOYSA-N 483.524 5.195 70 10 JKIE O=C(CC(c1ccccc1)c1ccccc1)NCCn1nc(-c2ccccn2)c2c1CCCC2 217492747 AGXFHHZBWVZIGZ-UHFFFAOYSA-N 450.586 5.162 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)CCCOc3ccccc3C)c2)cc1 216681472 LWEKAMNNPXDBPI-UHFFFAOYSA-N 490.556 5.258 70 10 JKIE Cc1cc(Br)c(S(=O)(=O)Nc2ccc(Cl)cc2F)cc1Br 159575448 MEUZRGUXZFXAIN-UHFFFAOYSA-N 457.546 5.113 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)/C=C/c3ccccc3C)c2)cc1 216693054 WNYKJDYOKDTCTC-DTQAZKPQSA-N 458.514 5.112 70 10 JKIE CC(C)(C)c1ccc(OCCCNC(=O)N2CCC(Cc3ccccc3)CC2)c(Br)c1 217298464 WCTCVYWYKHZGPD-UHFFFAOYSA-N 487.482 6.180 70 10 JKIE c1ccc(N=NC(c2ccccc2)=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 256396135 VTAJXEQKLGDMRL-UHFFFAOYSA-N 456.529 6.943 70 10 JKIE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@H]2C[C@]2([B-](F)(F)F)C1 2257358932 VIBONJDJBMHQOL-HNEHEIDXSA-N 499.362 5.780 70 10 JKIE Cc1ccccc1COc1c(Br)cc(S(=O)(=O)Cl)cc1Br 59148233 OGKFMNJZXBFSBS-UHFFFAOYSA-N 454.567 5.027 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)CCC(=O)c3ccc(C)cc3)c2)cc1 216678545 MMPAKLZZQXBYHJ-UHFFFAOYSA-N 488.540 5.062 70 10 JKIE COc1c(C)cc(Br)c(C)c1C(=O)c1cc(Br)ccc1Br 159790005 JTNLPXNVAUPPQN-UHFFFAOYSA-N 476.990 5.831 70 10 JKIE CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@@]2(C)C(OS(=O)(=O)C(F)(F)F)=CC[C@H]32)C1 256764418 MCIVSCZCJRGEJR-HJRPSSTNSA-N 462.530 5.241 70 10 JKIE COc1cc(Br)ccc1C(=O)Nc1c(Cl)cc(Br)cc1Cl 160668552 DRAUNOCPFPBHCD-UHFFFAOYSA-N 453.945 5.779 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)CCc3ccc(C)cc3)cc2)cc1 216635435 RQYMQHRYDMEMJK-UHFFFAOYSA-N 460.530 5.032 70 10 JKIE CCCc1ccc(OCC(=O)Nc2cccc(CNC(=O)c3ccc(OC(=O)OCC)cc3)c2)cc1 216681006 IUIZXQNGMIKPFH-UHFFFAOYSA-N 490.556 5.122 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)CCCOc3ccc(C)cc3)c2)cc1 216681329 SQMZXRGNAGFLTM-UHFFFAOYSA-N 490.556 5.258 70 10 JKIE O=C(NCCCOc1ccc(Br)cc1Cl)N(Cc1ccccc1)Cc1ccccc1 217299007 ITQDJUPYEKCAPL-UHFFFAOYSA-N 487.825 6.283 70 10 JKIE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@@H]([B-](F)(F)F)C1 1988763523 CDKJUKNTZKRDLS-UZUQRXQVSA-N 473.324 5.390 70 10 JKIE O=C(NCCCOc1ccc(Br)cc1Cl)Nc1ccc(N2CCCCC2)cc1 217299056 CHKBVJYSOMQDPC-UHFFFAOYSA-N 466.807 5.683 70 10 JKIE CSC(=NC(=O)C(C)(C)C)C(C#N)=P(c1ccccc1)(c1ccccc1)c1ccccc1 254869634 QNMBAAYVKIIVCV-UHFFFAOYSA-N 458.567 5.011 70 10 JKIE CC(C)(C)c1ccc(OCCCNC(=O)Nc2cc(Cl)cc(Cl)c2)c(Br)c1 217298691 NPCJWXUKDFSRMK-UHFFFAOYSA-N 474.226 6.644 70 10 JKIE O=S(=O)(Cl)c1ccc(Oc2cc(I)ccc2Cl)cc1Cl 2288318072 AVDGIVAWZUBVNY-UHFFFAOYSA-N 463.507 5.318 70 10 JKIE C[C@@H]1CCCN(C(=O)Nc2c(Br)cc(Br)cc2Br)C1 160344974 ACNGUVRBHRHMMO-MRVPVSSYSA-N 454.988 5.238 70 10 JKIE CCCc1ccc(OCC(=O)NCc2ccc(NC(=O)c3ccc(OC(=O)OCC)cc3)cc2)cc1 216629902 FSLUVWIAJWIWTB-UHFFFAOYSA-N 490.556 5.122 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1 216655744 QYAMTEUAROVUPL-KRWDZBQOSA-N 496.947 5.211 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)/C=C/c2ccccc2Cl)cc1 216668806 OGICZMRSVALBTG-DTQAZKPQSA-N 478.932 5.457 70 10 JKIE O=C(NCCCOc1ccc(Br)cc1Cl)N1CCN(c2cccc(Cl)c2)CC1 217299120 XXWGMNFEYCFVDE-UHFFFAOYSA-N 487.225 5.057 70 10 JKIE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@H]2C[C@]2([B-](F)(F)F)C1 2257358931 VIBONJDJBMHQOL-FPWIQGANSA-N 499.362 5.780 70 10 JKIE Nc1noc(-c2cc(Br)ccc2Br)c1-c1ccc(Br)cc1 161307770 RJPVTQZPEUPIBK-UHFFFAOYSA-N 472.962 5.878 70 10 JKIE CCN[C@H](Cc1ccc(Cl)cc1Cl)c1cc(Br)c(Br)s1 160520835 SRVTUMWOUDRVLS-GFCCVEGCSA-N 458.046 6.473 70 10 JKIE O=C(c1cc(Cl)cc(Cl)c1I)N1CCC[C@@H]([B-](F)(F)F)C1 2190457520 FMKYBNYJNCUUPA-SSDOTTSWSA-N 450.842 5.052 70 10 JKIE Cc1c(N=[N+]=[N-])cc(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1[B-](F)(F)F 1887520014 ZAIICOJRSISQMO-UHFFFAOYSA-N 451.237 6.030 70 10 JKIE CC(C)(C)OC(=O)Nc1cc(Br)ccc1C(=O)N1CC[C@](C)([B-](F)(F)F)C1 2342474992 NZJXELXMWZOECK-KRWDZBQOSA-N 450.084 5.250 70 10 JKIE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@H]2C[C@]2([B-](F)(F)F)C1 2018401080 FYKHGYSEWJEJAK-RUJAXMSRSA-N 485.335 5.390 70 10 JKIE CCOC(=O)C(C(=O)c1cccc(Cl)c1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 2325712309 XXCGYQFHHZTIFF-UHFFFAOYSA-N 486.935 5.252 70 10 JKIE Cc1c(C(=O)Nc2ccccc2-c2cn3ccsc3n2)sc2nc(-c3ccc(F)cc3)cn12 218568087 XUDDLCIRULLZOJ-UHFFFAOYSA-N 473.558 6.139 70 10 JKIE CC(C)(C)C(=O)C(n1nnc2ccccc21)=P(c1ccccc1)(c1ccccc1)c1ccccc1 105264026 ZCHWBTDWZNMSLL-UHFFFAOYSA-N 477.548 5.019 70 10 JKIE Cc1cc(Br)c(NC(=O)c2cc(Br)ccc2Br)cc1N 159589868 RPRJITVBNOOEDJ-UHFFFAOYSA-N 462.967 5.117 70 10 JKIE CCCCOC(=O)c1ccccc1NC(=O)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 217281209 BBSNPVSTYUZIRN-UHFFFAOYSA-N 463.534 5.216 70 10 JKIE Cc1c(N)cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc1C[B-](F)(F)F 1887521763 QVBYLIIGXAOZFL-UHFFFAOYSA-N 494.346 5.577 70 10 JKIE O=C(NCCCOc1ccc(Br)cc1Cl)NCc1cccc(Br)c1 217299185 WEMBMSRSRBXRQT-UHFFFAOYSA-N 476.596 5.133 70 10 JKIE O=S(=O)(Cl)[C@H](c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C(F)(F)F 2016740885 OINSIYRQMFAEPN-OAQYLSRUSA-N 470.896 6.017 70 10 JKIE NC[C@@H](c1ccc(Cl)cc1Cl)[C@H](O)c1cc(Br)ccc1Br 161268341 WVIPMHNCMGQJNB-SWLSCSKDSA-N 453.989 5.294 70 10 JKIE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@H]2C[C@@]2([B-](F)(F)F)C1 2257358936 VIBONJDJBMHQOL-WCTKDPGZSA-N 499.362 5.780 70 10 JKIE C[C@H](Cc1ccc(Br)cc1)NC(=O)c1cc(Br)ccc1Br 160327522 XHLUHTJTPVOJFM-SNVBAGLBSA-N 476.006 5.335 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)CC34CC5CC(CC(C5)C3)C4)cc2)cc1 216625407 XDHZZPCLTGHWPG-UHFFFAOYSA-N 490.600 5.697 70 10 JKIE O=S(=O)(Cl)c1ccc(Oc2cc(Br)cc(Br)c2)c(Cl)c1 2364050308 ZRPVUSQTNZMVNG-UHFFFAOYSA-N 460.958 5.585 70 10 JKIE CCN[C@H](c1cc(Br)c(C)cc1Br)c1c(F)cccc1Br 160867583 JWKSPHDTEVCMCW-MRXNPFEDSA-N 480.013 6.121 70 10 JKIE CC(C)(C)c1ccc(OCCCNC(=O)NCc2ccccc2Cl)c(Br)c1 217298458 YUZLJGICPMZKBZ-UHFFFAOYSA-N 453.808 5.668 70 10 JKIE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@H]2C[C@]2([B-](F)(F)F)C1 2257358933 VIBONJDJBMHQOL-NQTLKNRLSA-N 499.362 5.780 70 10 JKIE CCCN[C@@H](Cc1cc(Br)ccc1F)c1ccccc1I 160189965 IIIVXRRRXSYSEK-KRWDZBQOSA-N 462.144 5.476 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)CCC(=O)c3ccc(C)cc3)cc2)cc1 216627296 WUGAAIPKLZYBQA-UHFFFAOYSA-N 488.540 5.062 70 10 JKIE [N-]=[N+]=Nc1cc(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc(OS(=O)(=O)F)c1 1887520486 VDXFSQCHOQTTTJ-UHFFFAOYSA-N 468.466 5.260 70 10 JKIE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@H]2C[C@]2([B-](F)(F)F)C1 1901524155 SARGWVIYKPLLIT-PMHROOCVSA-N 471.308 5.144 70 10 JKIE O=C(Nc1ccccc1-c1csc(-c2ccccc2F)n1)[C@H]1CC(=O)N(c2cccc(F)c2)C1 218610600 QHDRUDOGOWLHSD-INIZCTEOSA-N 475.520 5.747 70 10 JKIE CN[C@H](c1ccc2cc(Br)ccc2c1)c1cc(Br)sc1Br 159569753 PIPOKMLJXZAMCP-OAHLLOKOSA-N 490.058 6.498 70 10 JKIE CCCN[C@H](Cc1cc(Br)ccc1F)c1cccc(I)c1 160253183 JUAATOXQQUFJHD-QGZVFWFLSA-N 462.144 5.476 70 10 JKIE CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2-c2csc(-c3ccccc3F)n2)cc1 218604562 VOVKKDIJENGHKI-UHFFFAOYSA-N 481.574 5.119 70 10 JKIE CC(C)N1C(=O)c2ccc(NC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2C1=O 217279299 OSPDQLSWHAAVDZ-UHFFFAOYSA-N 459.346 5.373 70 10 JKIE O=C(NCCCOc1ccc(Br)cc1Cl)Nc1cc(Cl)cc(Cl)c1 217299103 KJNYMCITCJAENS-UHFFFAOYSA-N 452.563 6.000 70 10 JKIE Cl[Si](Cl)(Cl)[Si](Cl)(Cl)[Si](Cl)(Cl)[Si](Cl)(Cl)Cl 256227167 MSQITEWLCPTJBF-UHFFFAOYSA-N 466.874 5.372 70 10 JKIE Cc1cc(Br)c(S(=O)(=O)N(C)Cc2ccc(Cl)s2)cc1Br 159566397 LHUKAAQBSBHWQH-UHFFFAOYSA-N 473.639 5.056 70 10 JKIE C[C@H](NC(=O)c1cc(Br)ccc1Br)c1ccccc1Br 160196105 AGWOMDSKFMVQKQ-VIFPVBQESA-N 461.979 5.465 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)C34CC5CC(CC(C5)C3)C4)c2)cc1 216688078 JRQONZZTXALVOF-UHFFFAOYSA-N 476.573 5.307 70 10 JKIE CN[C@H](c1cc(Br)ccc1Br)c1cc(Br)ccc1OC 159814787 LUUBIPSLCMTKJO-OAHLLOKOSA-N 463.995 5.292 70 10 JKIE Cc1c(N)cc(C[B-](F)(F)F)cc1N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887521649 HRTATNUNHREKLT-UHFFFAOYSA-N 494.346 5.577 70 10 JKIE CN(Cc1ccccc1Br)C(=O)c1cc(Br)ccc1Br 159977076 MHNCFKDAPKFQHK-UHFFFAOYSA-N 461.979 5.246 70 10 JKIE Cc1ccc2nc(-c3ccc(NC(=O)NCCCOc4ccccc4Cl)cc3)sc2c1 217300141 TTWJUBIFVXDAIG-UHFFFAOYSA-N 451.979 6.516 70 10 JKIE Cc1cc(C)c(NS(=O)(=O)c2ccc(Br)cc2Br)c(Br)c1 159902631 DWMHYBBSFGCUTB-UHFFFAOYSA-N 498.034 5.392 70 10 JKIE O=C(NCCCOc1ccc(Br)cc1Cl)N1CCC(Cc2ccccc2)CC1 217298875 HHRDNGDFWJUKAV-UHFFFAOYSA-N 465.819 5.536 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)CCc3ccccc3Cl)cc2)cc1 216641208 CETMGLUDWCAJDC-UHFFFAOYSA-N 480.948 5.377 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)C34CC5CC(CC(C5)C3)C4)c2)cc1 216688137 QOJMNKRAUHBPDU-UHFFFAOYSA-N 476.573 5.307 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)c3ccc(Br)cc3)cc2)cc1 216624628 QYBXYBMITSMCRE-UHFFFAOYSA-N 497.345 5.167 70 10 JKIE Cc1c(CC(=O)O)cc([B-](F)(F)F)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 1887405793 XVBUUEAKZRSDKO-UHFFFAOYSA-N 454.233 5.038 70 10 JKIE O=C(c1cc(Cl)cc(Cl)c1I)N1CCC([B-](F)(F)F)CC1 2239523431 QIKUYRYJLZPTPA-UHFFFAOYSA-N 450.842 5.052 70 10 JKIE CCCN[C@@H](c1cc(Br)c(Br)s1)c1cc(C)ccc1Br 161471666 LIGKZOYBACFTQC-CQSZACIVSA-N 482.079 6.433 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)c3ccc(C(F)(F)F)cc3)cc2)cc1 216638400 MPBJAYCLQOWZTP-UHFFFAOYSA-N 486.446 5.423 70 10 JKIE CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OC(=O)c1cc(Br)ccc1I)C2 217435170 PQRIZNGPUMLBHG-NCHVAJSOSA-N 463.153 5.425 70 10 JKIE Cc1cc(Br)cc(S(=O)(=O)Cl)c1OCc1ccccc1Br 109150601 VCQKWMOACYARAI-UHFFFAOYSA-N 454.567 5.027 70 10 JKIE O=S(=O)(Cl)c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1 115900930 QHVDZKZCUYRFGE-UHFFFAOYSA-N 477.534 5.105 70 10 JKIE CC(C)(C)c1ccc(OCCCNC(=O)Nc2ccc(I)cc2)cc1 217299539 MXTCEXCQJGNISO-UHFFFAOYSA-N 452.336 5.179 70 10 JKIE O=C(N/C=C/c1ccccc1Br)N1CCN(C(c2ccccc2)c2ccccc2)CC1 217839197 QETBYNMYDMBZGL-FOCLMDBBSA-N 476.418 5.537 70 10 JKIE S=C1OC(C=Cc2ccccc2)=NC1=P(c1ccccc1)(c1ccccc1)c1ccccc1 2297451030 YXAJSNQUWLHUKA-UHFFFAOYSA-N 463.542 5.580 70 10 JKIE C[C@@]1([B-](F)(F)F)CCN(C(=O)c2cc(Cl)cc(Cl)c2I)C1 2368423385 QKKKQPKHXSORRT-GFCCVEGCSA-N 450.842 5.052 70 10 JKIE N[C@H](c1ccc2cc(Br)ccc2c1)c1cc(Br)sc1Br 159566669 ISBWEWYIDJMLLS-CQSZACIVSA-N 476.031 6.237 70 10 JKIE CCN[C@H](Cc1ccc(F)cc1Br)c1cc(Br)c(Br)s1 161425209 HZLQKKOMSZEIMC-GFCCVEGCSA-N 486.042 6.068 70 10 JKIE Cc1cc(C)c(NS(=O)(=O)c2cc(Cl)c(Br)s2)c(Br)c1 159903629 SPZWYHIKXPSIMN-UHFFFAOYSA-N 459.612 5.344 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)/C=C/c3ccc(Cl)cc3)cc2)cc1 216644818 HDVJDXZZPZKWBK-FRKPEAEDSA-N 478.932 5.457 70 10 JKIE CCCCCCCCOc1c(Br)cc(S(=O)(=O)Cl)cc1Br 59148217 GXTUBKPSAWZSSL-UHFFFAOYSA-N 462.631 5.878 70 10 JKIE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H]([B-](F)(F)F)C1 1988763522 CDKJUKNTZKRDLS-SBUREZEXSA-N 473.324 5.390 70 10 JKIE O=C(Nc1ccc(-c2ccc(S(=O)(=O)Cl)cc2)cc1)OCC1c2ccccc2-c2ccccc21 100234866 WVLPAWCXRVGKIF-UHFFFAOYSA-N 489.980 6.642 70 10 JKIE O=C(CC(c1ccccc1)c1ccccc1)NCCn1nc(-c2ccncc2)c2c1CCCC2 217455664 ZTVLSSOEYPJGPG-UHFFFAOYSA-N 450.586 5.162 70 10 JKIE COc1ccc(/N=N/C(C(C)=O)=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 105469893 XCAXBDLPTSQIBL-QVIHXGFCSA-N 452.494 5.492 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)c3cccc4ccccc34)cc2)cc1 216631718 AVRWRNBXQYJIHF-UHFFFAOYSA-N 468.509 5.557 70 10 JKIE Cc1ccc2nc(-c3ccc(NC(=O)N/C=C/c4ccc(Br)cc4)cc3)sc2c1 218284687 SBPYZQDZBUQPOH-OUKQBFOZSA-N 464.388 6.827 70 10 JKIE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@@H]([B-](F)(F)F)C1 2016103851 QRWHUVCSYAQHJI-HOOSLVGPSA-N 487.351 5.780 70 10 JKIE Cc1cc(Br)c([C@@H](O)c2c(F)cccc2Br)cc1Br 161167198 QCFJDODAUOZCJE-CQSZACIVSA-N 452.943 5.503 70 10 JKIE CC(C)(C)c1ccc(OCCCNC(=O)NCCc2ccc(Cl)cc2)c(Br)c1 217298787 GMYSTGASHQTXHL-UHFFFAOYSA-N 467.835 5.711 70 10 JKIE Cc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc([B-](F)(F)F)c(C)c1S 1887521072 OJQUNXOJWLNQMO-UHFFFAOYSA-N 456.318 5.685 70 10 JKIE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)Nc1ccccc1-c1csc(-c2ccccc2F)n1 218613957 KBTPKIFIUWDXOO-OAQYLSRUSA-N 467.566 5.954 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)c2ccccc2Cl)cc1 216650918 CMAPRMXGMURCFX-UHFFFAOYSA-N 452.894 5.058 70 10 JKIE Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3-c3csc(-c4ccccc4F)n3)CC2=O)cc1C 218606043 XHPUOWHGTUFLKY-LJQANCHMSA-N 485.584 6.225 70 10 JKIE O=C(NCCCN1C(=O)c2ccc(Br)cc2C1=O)Nc1ccc(Nc2ccccc2)cc1 217306574 XLMVLYLVTXXWPO-UHFFFAOYSA-N 493.361 5.001 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)c2ccc(Cl)c(Cl)c2)cc1 216648057 YDCLCTGHKPUXHK-UHFFFAOYSA-N 487.339 5.711 70 10 JKIE COc1ccc([C@H](N)c2cc(Br)ccc2Br)c(OC)c1Br 159912366 LCYOOBUBCPZPIV-AWEZNQCLSA-N 479.994 5.039 70 10 JKIE CCN[C@H](c1cc(Cl)c(Br)s1)c1cc(Br)ccc1Br 159889104 XGJWPFCBVDMJBR-LBPRGKRZSA-N 488.470 6.388 70 10 JKIE CCOc1ccc(Br)cc1[C@H](N)c1cc(Br)ccc1Br 159813195 CNURZCHWPGFZPC-OAHLLOKOSA-N 463.995 5.421 70 10 JKIE CCCN[C@H](Cc1ccc(F)cc1Br)c1ccc(I)cc1 161420558 WBNBNOHJKRHIRD-QGZVFWFLSA-N 462.144 5.476 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)CCc3ccccc3Cl)c2)cc1 216691129 GKJHOIFCYLQNMG-UHFFFAOYSA-N 480.948 5.377 70 10 JKIE Brc1cc(Br)c(N[C@@H]2C[C@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)c(Br)c1 218097850 VZTSUARJDHETSR-UGEBGDRKSA-N 464.039 6.211 70 10 JKIE CCCN[C@H](c1cc(C)ccc1Br)c1cc(Br)sc1Br 161455256 XIERPUVYOFRUDV-CQSZACIVSA-N 482.079 6.433 70 10 JKIE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H]([B-](F)(F)F)C1 2016103852 QRWHUVCSYAQHJI-LLJLJFOGSA-N 487.351 5.780 70 10 JKIE O=C(Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)N(Cc1ccccc1)c1ccccc1 217281336 HMTLQBLZMRWBND-UHFFFAOYSA-N 453.542 5.854 70 10 JKIE CCCN[C@@H](Cc1ccc(F)cc1Br)c1ccccc1I 161311021 FRZJIOUVCAHDCA-KRWDZBQOSA-N 462.144 5.476 70 10 JKIE O=S(=O)(NC[C@@H]1CCCN1c1nccs1)c1ccc(-c2ccc(Cl)c(Cl)c2)cc1 217803273 FZFNIVKLPUOJLT-INIZCTEOSA-N 468.431 5.064 70 10 JKIE N[C@@H](c1cc(C(F)(F)F)ccc1Br)c1cc(Br)sc1Br 159737344 MOPJQMIAWHQRQY-JTQLQIEISA-N 493.968 6.103 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)CCCOc3ccccc3C)c2)cc1 216681486 IIGKMPUZUYANDZ-UHFFFAOYSA-N 490.556 5.258 70 10 JKIE COc1ccc(NC(=O)NCCCOc2ccc(C(C)(C)C)cc2Br)cc1Cl 217298429 RGLJFODWEMFWSZ-UHFFFAOYSA-N 469.807 5.999 70 10 JKIE COc1cc(Br)ccc1[C@@H](N)c1cc(Br)c(C)cc1Br 160657081 KUTRDRDQQFRRJY-OAHLLOKOSA-N 463.995 5.339 70 10 JKIE CCSC(=Nc1ccccc1)C(C#N)=P(c1ccccc1)(c1ccccc1)c1ccccc1 585139602 QEGNDYFUMSGCAC-UHFFFAOYSA-N 464.574 6.160 70 10 JKIE Cc1cc(Br)cc(S(=O)(=O)Cl)c1OCc1ccc(Br)cc1 109150592 JVSKLOGWWHTKDW-UHFFFAOYSA-N 454.567 5.027 70 10 JKIE CCN[C@@H](c1cc(Br)ccc1Br)c1ccc(Br)cc1OC 160634115 DFGSCLRJCQACTM-MRXNPFEDSA-N 478.022 5.682 70 10 JKIE CC(=O)OCCCCCCCCCC=P(c1ccccc1)(c1ccccc1)c1ccccc1 585666443 SHYCVDZHXWQQIH-UHFFFAOYSA-N 460.598 6.467 70 10 JKIE NC[C@@H](c1ccc(Cl)c(Cl)c1)[C@@H](O)c1cc(Br)ccc1Br 161272499 ZHJOEPUSPRQMSQ-NHYWBVRUSA-N 453.989 5.294 70 10 JKIE COc1ccc([C@@H](C)NC(=O)NCCCOc2ccc(C(C)(C)C)cc2Br)cc1OC 217298495 TUDAONJEGYOVGP-MRXNPFEDSA-N 493.442 5.593 70 10 JKIE Cc1cc(Br)c(S(=O)(=O)Nc2cccc(Cl)c2F)cc1Br 159552118 RABPJGCBEHFMPJ-UHFFFAOYSA-N 457.546 5.113 70 10 JKIE C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1cc(Br)ccc1Br 160327369 XHLUHTJTPVOJFM-JTQLQIEISA-N 476.006 5.335 70 10 JKIE O=C(Nc1c(Br)cc(Br)cc1Br)N1CCCCCC1 160345519 ZGMSNHFOELLADW-UHFFFAOYSA-N 454.988 5.382 70 10 JKIE Cc1ccc2nc(-c3ccc(NC(=O)Nc4ccc5c(c4)C(=O)N(C(C)(C)C)C5=O)cc3)sc2c1 217280564 PAKRIFHTZLVWTO-UHFFFAOYSA-N 484.581 6.310 70 10 JKIE COC(=O)c1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc([B-](F)(F)F)c1C 1887519674 GUOWGPSGZOOVSY-UHFFFAOYSA-N 454.233 5.197 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)/C=C(\C)C2CCCC2)cc1 216672072 JEZIRKZUGZFRGK-FBMGVBCBSA-N 450.535 5.227 70 10 JKIE O=C(NCCCOc1ccc(Br)cc1Cl)Nc1cccc(Cl)c1Cl 217298837 FIGSGPYBQHHQIE-UHFFFAOYSA-N 452.563 6.000 70 10 JKIE CN[C@@H](c1cc(Cl)c(Br)s1)c1cc(C(F)(F)F)ccc1Br 159754156 MSERPZWBGDIUQH-LLVKDONJSA-N 463.544 6.254 70 10 JKIE O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 217281364 LNRGSVOYJAAKOI-UHFFFAOYSA-N 499.411 6.297 70 10 JKIE O=C(CCCCC(=O)Oc1c(F)c(F)c(F)c(F)c1F)Oc1c(F)c(F)c(F)c(F)c1F 136002171 WYDKDYQCTGCKAI-UHFFFAOYSA-N 478.238 5.149 70 10 JKIE CC(C)[C@H]1CC[C@H](C)C[C@@H]1Nc1c(Br)cc(Br)cc1Br 218098252 BNPMXJZCNHKKOF-NVBFEUDRSA-N 468.071 6.847 70 10 JKIE CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC=C(OS(=O)(=O)C(F)(F)F)[C@@]4(C)CC[C@H]32)C1 256764428 MCIVSCZCJRGEJR-TWYNJABESA-N 462.530 5.241 70 10 JKIE CC(C)(C)OC(=O)Nc1cc(Br)ccc1C(=O)N1CC[C@@](C)([B-](F)(F)F)C1 2342474993 NZJXELXMWZOECK-QGZVFWFLSA-N 450.084 5.250 70 10 JKIE O=c1ccc2c([nH]1)CCC[C@H]2Nc1c(Br)cc(Br)cc1Br 160967497 BXRYVJZQKYGGFP-CYBMUJFWSA-N 476.994 5.152 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)c2cccc3ccccc23)cc1 216657189 XFABPYRXSVAPRH-UHFFFAOYSA-N 468.509 5.557 70 10 JKIE CC(C)(C)c1ccc(OCCCNC(=O)Nc2cc(Br)ccn2)c(Br)c1 217298795 JIZIXCATTSYOHX-UHFFFAOYSA-N 485.220 5.495 70 10 JKIE C[C@@H](NC(=O)c1cc(Br)ccc1I)c1ccccc1Cl 217445829 HHNJKAJVPZBTJR-SECBINFHSA-N 464.528 5.198 70 10 JKIE CCCN[C@@H](c1cc(Br)c(Br)s1)c1ccc(C)cc1Br 161047920 INQTVYOLMYGRQJ-CQSZACIVSA-N 482.079 6.433 70 10 JKIE O=C(NCCCN1C(=O)c2ccc(Br)cc2C1=O)NC1CCCCCCCCCCC1 217306499 LVACBKJAZLOTJI-UHFFFAOYSA-N 492.458 5.408 70 10 JKIE Cc1c(NC(=O)OCC2c3ccccc3-c3ccccc32)cc([B-](F)(F)F)cc1C(=O)OC(C)(C)C 1887505757 VFMLJTBUZSNFDE-UHFFFAOYSA-N 496.314 6.366 70 10 JKIE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@H]([B-](F)(F)F)C1 1902523038 WHKHKMJVBINZRC-GAJHUEQPSA-N 473.324 5.390 70 10 JKIE O=S(=O)(Cl)c1ccc(OCc2ccc(I)cc2)c(Cl)c1Cl 115900916 YKKXWEOUOLHUAF-UHFFFAOYSA-N 477.534 5.105 70 10 JKIE N[C@@H](c1ccc2cc(Br)ccc2c1)c1cc(Br)ccc1Br 159563731 HKLHVHWPAZONQY-KRWDZBQOSA-N 470.002 6.175 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1 216655696 QYAMTEUAROVUPL-QGZVFWFLSA-N 496.947 5.211 70 10 JKIE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@](C)([B-](F)(F)F)C1 2303100802 CAQAFWITPQOQSG-JYFHCDHNSA-N 487.351 5.780 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1 216655813 AZFCXCKKONIHKA-QGZVFWFLSA-N 496.947 5.211 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)CCc2cccc(Cl)c2)cc1 216667298 XKHURQQXBQOPMZ-UHFFFAOYSA-N 480.948 5.377 70 10 JKIE COc1ccc(-c2cn3c(C)c(C(=O)Nc4ccccc4-c4cn5ccsc5n4)sc3n2)cc1 218567868 MKUKIYCIYPVIKW-UHFFFAOYSA-N 485.594 6.008 70 10 JKIE CCN[C@@H](c1cc(F)c(Br)cc1F)c1cc(Br)ccc1Br 159872057 QSQFTQMLLOVOAT-OAHLLOKOSA-N 483.976 5.951 70 10 JKIE CN[C@@H](Cc1ccc(I)cc1)c1ccc(Cl)c(Br)c1 160857669 ZNALVCLOGDMYAD-HNNXBMFYSA-N 450.545 5.210 70 10 JKIE O=C(Cn1nc(-c2ccco2)ccc1=O)Nc1ccccc1-c1csc(-c2ccccc2F)n1 218609537 DVSDZBQYRXLKNN-UHFFFAOYSA-N 472.501 5.072 70 10 JKIE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@](C)([B-](F)(F)F)C1 1902513150 QEYIFWPHWNZQJK-WIOPSUGQSA-N 473.324 5.390 70 10 JKIE O=C(CCCOc1ccc(Br)cc1Cl)Nc1cccc(NC(=O)C(F)(F)F)c1 216766572 KMISLZWCVRDAMX-UHFFFAOYSA-N 479.680 5.401 70 10 JKIE Cc1ccc2nc(-c3ccc(NC(=O)N[C@@H]4CC(=O)N([C@@H](C)c5ccccc5)C4)cc3)sc2c1 217284745 LVPFUILRULZZPE-PGRDOPGGSA-N 470.598 5.755 70 10 JKIE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@H]2C[C@@]2([B-](F)(F)F)C1 1901524156 SARGWVIYKPLLIT-QOFFVNHYSA-N 471.308 5.144 70 10 JKIE O=C(NCCCC(=O)N1CC[C@H]2C[C@]2([B-](F)(F)F)C1)OCC1c2ccccc2-c2ccccc21 2243904728 GCPVHBVOUZDGKB-GKVSMKOHSA-N 471.308 5.145 70 10 JKIE CCOc1ccc(Br)cc1C(=O)c1cc(Br)ccc1Br 159762454 GSGBLCKEPLUQMT-UHFFFAOYSA-N 462.963 5.604 70 10 JKIE COC(=O)c1sccc1S(=O)(=O)Nc1ccccc1-c1csc(-c2ccccc2F)n1 218673431 DOUXQQINYJRXCE-UHFFFAOYSA-N 474.560 5.265 70 10 JKIE CC(C)(C)c1ccc(OCCCNC(=O)N(Cc2ccccc2)c2ccccc2)c(Br)c1 217298650 ZHROZDOYBRIFHA-UHFFFAOYSA-N 495.461 6.932 70 10 JKIE N#CC(C1=NC(=O)C(=Cc2ccccc2)S1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 2053527826 FKWMCTBTXMIIGW-UHFFFAOYSA-N 488.552 5.389 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3)c2)cc1 216681064 XHPICQIEJJVDFN-QGZVFWFLSA-N 496.947 5.211 70 10 JKIE CCCN[C@@H](c1ccc(F)c(Br)c1)c1cc(Br)ccc1Br 159884487 JZHAFKBXBBPKCP-INIZCTEOSA-N 480.013 6.202 70 10 JKIE COc1cccc(CCNC(=O)NCCCOc2ccc(C(C)(C)C)cc2Br)c1 217298782 RYTMNYPJRMCIDP-UHFFFAOYSA-N 463.416 5.066 70 10 JKIE Cc1ccc2nc(-c3ccc(NC(=O)NCCc4ccccc4Br)cc3)sc2c1 217391699 HFLYPOWIVWYRAW-UHFFFAOYSA-N 466.404 6.398 70 10 JKIE O=S(=O)(Cl)c1ccc(Oc2ccc(Br)cc2Br)c(Cl)c1 113939192 ONTYFJHRVCIMED-UHFFFAOYSA-N 460.958 5.585 70 10 JKIE CCOc1ccc(Br)cc1[C@@H](N)c1cc(Br)ccc1Br 159813329 CNURZCHWPGFZPC-HNNXBMFYSA-N 463.995 5.421 70 10 JKIE CCCN[C@H](Cc1ccc(F)cc1Br)c1cccc(I)c1 161342210 VTPUBIGEQOQQOQ-QGZVFWFLSA-N 462.144 5.476 70 10 JKIE CN(C)c1ccc(Br)cc1NC(=O)c1cc(Br)ccc1Br 160350771 MLRWDZRANHTTMM-UHFFFAOYSA-N 476.994 5.292 70 10 JKIE CCOc1cc(NC(=O)Nc2ccccc2Sc2ccccc2)cc(OCC)c1OCC 217274570 AUKUKWKZKPPDMN-UHFFFAOYSA-N 452.576 6.678 70 10 JKIE COc1cc(NC(=O)NCCCOc2ccc(C(C)(C)C)cc2Br)c(OC)cc1Cl 217298722 ILLHVTGZGLBSDR-UHFFFAOYSA-N 499.833 6.008 70 10 JKIE CN(CCN(Cc1ccccc1)c1cc([B-](F)(F)F)ccc1C(F)(F)F)Cc1ccccc1 2052599278 DVIGLEIMFFGJJY-UHFFFAOYSA-N 465.270 5.898 70 10 JKIE CCCN[C@@H](c1cc(Br)ccc1Br)c1c(F)cccc1Br 160825451 UHNMCYNXQGRUSJ-INIZCTEOSA-N 480.013 6.202 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)c3ccc(-c4ccccc4)cc3)c2)cc1 216673869 VUYBQCQXKHZHQJ-UHFFFAOYSA-N 494.547 6.071 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)CCc3cccc(C)c3)cc2)cc1 216641464 GSIUTKVIOOPKBM-UHFFFAOYSA-N 460.530 5.032 70 10 JKIE COc1cc(Cl)c(C)cc1NC(=O)NCCCOc1ccc(C(C)(C)C)cc1Br 217298728 NKUSGZFVMXGASK-UHFFFAOYSA-N 483.834 6.308 70 10 JKIE O=C(NCCCOc1ccc(Br)cc1Cl)Nc1cccc(C(F)(F)F)c1 217298840 AYPAYXZCPKBRRP-UHFFFAOYSA-N 451.670 5.712 70 10 JKIE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@](C)([B-](F)(F)F)C1 1902522413 QEYIFWPHWNZQJK-WIOPSUGQSA-N 473.324 5.390 70 10 JKIE C[Si](C)(Cl)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)Cl 195810319 IHILIQBLBAJDOJ-UHFFFAOYSA-N 499.837 5.758 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)/C=C/c2cccc(C)c2)cc1 216669123 WSZSOPHOROCVQC-LFIBNONCSA-N 458.514 5.112 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)c3c(F)cccc3Cl)c2)cc1 216688521 FXRGVTZNIPHRRD-UHFFFAOYSA-N 470.884 5.197 70 10 JKIE O=S(=O)(Cl)CC1(COc2ccc(Br)cc2Br)CCCCC1 115565583 RWOPXNYWOFTMKX-UHFFFAOYSA-N 460.615 5.110 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)c2ccc(-c3ccccc3)cc2)cc1 216648735 VBSYLQIUFCSIGK-UHFFFAOYSA-N 494.547 6.071 70 10 JKIE CC(C)(C)c1ccc(OCCCNC(=O)Nc2ccccc2C(F)(F)F)c(Br)c1 217298421 JVCGHMXLBASBTO-UHFFFAOYSA-N 473.333 6.356 70 10 JKIE CCCN[C@H](c1cc(Cl)c(Br)s1)c1ccc(Br)cc1OC 160654835 JRAFVSZKQMHQFS-AWEZNQCLSA-N 453.627 6.024 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)/C=C(\C)C3CCCC3)c2)cc1 216696555 CDDWOVNRIPQPAZ-OBGWFSINSA-N 450.535 5.227 70 10 JKIE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@](C)([B-](F)(F)F)C1 1902513149 QEYIFWPHWNZQJK-DHLKQENFSA-N 473.324 5.390 70 10 JKIE CC1CCN(C(=O)Nc2c(Br)cc(Br)cc2Br)CC1 160345654 WILLQRIYZOJETD-UHFFFAOYSA-N 454.988 5.238 70 10 JKIE CCCN[C@H](Cc1ccc(Br)s1)c1ccc(I)cc1 160796672 BEKBWYJPCVKYGE-CQSZACIVSA-N 450.183 5.399 70 10 JKIE CN(C)c1ccc(N=Nc2ccccc2C(=O)NCCCOc2ccc(C(=O)[B-](F)(F)F)cc2)cc1 725380095 CMGPBKJHGVVFSZ-UHFFFAOYSA-N 497.306 5.936 70 10 JKIE CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC=C(OS(=O)(=O)C(F)(F)F)[C@@]4(C)CC[C@@H]32)C1 77271554 MCIVSCZCJRGEJR-KPKYYQPRSA-N 462.530 5.241 70 10 JKIE in-vitro CC(C)C1=C(C(C)(C)C)C(c2ccc(F)cc2)=C(/C=C/C=O)[C@H](C(C)C)N1CO[SiH](C)C 201097294 QVMQKMMRDZAMAF-VSFTXHECSA-N 457.706 6.588 70 10 JKIE C[C@H](NC(=O)c1cc(Br)ccc1I)c1ccccc1Cl 217445910 HHNJKAJVPZBTJR-VIFPVBQESA-N 464.528 5.198 70 10 JKIE C[C@@H](N(Cc1ccccc1)C(=O)c1cc(Br)cc(S(=O)(=O)Cl)c1)C(C)(C)C 2152226818 DCCWDQRPIGJUPG-CQSZACIVSA-N 472.832 5.454 70 10 JKIE Brc1cc(Br)c(NCc2coc3ccccc23)c(Br)c1 161069922 MUMCMLLEPIJJJJ-UHFFFAOYSA-N 459.963 6.332 70 10 JKIE Cc1cc(Br)c(C(=O)N2CCC[C@@H]([B-](F)(F)F)C2)cc1NC(=O)OC(C)(C)C 2190464138 ZEGXVWPWVKIOGI-GFCCVEGCSA-N 464.111 5.558 70 10 JKIE Cc1ccc2nc(-c3ccc(NC(=O)NCc4ccccc4Br)cc3)sc2c1 217314369 XLCPIUGIHVGQKH-UHFFFAOYSA-N 452.377 6.356 70 10 JKIE CC(C)(C)OC(=O)Nc1c(Cl)c(Cl)nc(C(C)(C)CS(=O)(=O)Cl)c1Cl 1952986169 VFFTXMZRWAMWIY-UHFFFAOYSA-N 452.187 5.235 70 10 JKIE CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)C(OS(=O)(=O)C(F)(F)F)=CC[C@@H]32)C1 2042835296 MCIVSCZCJRGEJR-JPRZGNOKSA-N 462.530 5.241 70 10 JKIE CCCN[C@@H](Cc1cc(Br)ccc1F)c1csc(I)c1 160304331 WFIIOVYNUXTKCY-AWEZNQCLSA-N 468.173 5.538 70 10 JKIE CCCN[C@@H](c1ccc(Br)cc1OC)c1cc(Br)sc1Br 160639784 FKQJXLWOGHEWOY-AWEZNQCLSA-N 498.078 6.133 70 10 JKIE CC[C@@H](C)c1ccccc1NC(=O)NCCCOc1ccc(C(C)(C)C)cc1Br 217298743 QIICYUSNLIURTF-QGZVFWFLSA-N 461.444 6.851 70 10 JKIE CCN[C@H](Cc1cc(Br)ccc1F)c1cc(Br)ccc1Br 160341415 PNEPVGIRWFXDMT-MRXNPFEDSA-N 480.013 6.007 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)/C=C/c2ccc(Cl)cc2)cc1 216670168 PWLDNLRTLGYNBV-CXUHLZMHSA-N 478.932 5.457 70 10 JKIE CN(CCN(Cc1ccccc1)c1ncc([B-](F)(F)F)c2ccsc12)Cc1ccccc1 2005007991 PVEGOBLLUJKTGU-UHFFFAOYSA-N 454.350 5.489 70 10 JKIE CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C(OS(=O)(=O)C(F)(F)F)=CC[C@H]32)C1 1307360050 MCIVSCZCJRGEJR-OVDOOKCHSA-N 462.530 5.241 70 10 JKIE N[C@@H](c1ccc2cc(Br)ccc2c1)c1cc(Br)c(Br)s1 159581107 HFWGGEHRBSAORS-AWEZNQCLSA-N 476.031 6.237 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)c3cccc4ccccc34)cc2)cc1 216631794 FNOBGZLGUDFMQD-UHFFFAOYSA-N 468.509 5.557 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)c3ccc(-n4cccc4)cc3)cc2)cc1 216632803 RWXLOZVIZOKLQU-UHFFFAOYSA-N 483.524 5.195 70 10 JKIE Cc1cc(I)ccc1NC(=O)N/C=C/c1ccc(Br)cc1 218271478 FVBZNPMDHZPIAC-CMDGGOBGSA-N 457.109 5.155 70 10 JKIE C/C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)=N\N=C(c1ccccc1)c1ccccc1 110152749 CORRGNNIYMRXKD-AWQADKOQSA-N 496.594 6.696 70 10 JKIE O=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)OC(c1ccccc1)c1ccccc1 140040531 BRQWNZNDFGGBIS-UHFFFAOYSA-N 486.551 6.116 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)CCc3cccc(C)c3)cc2)cc1 216641402 ALQCPTWWZQMMRG-UHFFFAOYSA-N 460.530 5.032 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)CCc2cccc(C)c2)cc1 216666950 IJNMLUKOMFCDBQ-UHFFFAOYSA-N 460.530 5.032 70 10 JKIE CCCN[C@H](Cc1cc(Br)ccc1F)c1ccc(I)cc1 160398820 DIFFOKDJGJPKJS-QGZVFWFLSA-N 462.144 5.476 70 10 JKIE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@@H]([B-](F)(F)F)C1 2248892231 WIRTUTWLESPPJR-KOSHJBKYSA-N 487.351 5.780 70 10 JKIE CC(C)(C)c1ccc(OCCCNC(=O)Nc2ccc(N)c(Cl)c2)c(Br)c1 217298533 HIFCVJUQCQYMFF-UHFFFAOYSA-N 454.796 5.573 70 10 JKIE COc1ccc(CCNC(=O)NCCCOc2ccc(C(C)(C)C)cc2Br)cc1OC 217298459 XDCCPLXGMNYKLR-UHFFFAOYSA-N 493.442 5.075 70 10 JKIE CCN[C@@H](Cc1cc(Br)ccc1F)c1cc(Br)ccc1Br 160341274 PNEPVGIRWFXDMT-INIZCTEOSA-N 480.013 6.007 70 10 JKIE O=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1cccc(Br)c1 196049347 OEEJFBDBJQGLRU-UHFFFAOYSA-N 459.323 5.428 70 10 JKIE Cc1ccc2nc(-c3ccc(NC(=O)Nc4ccc(NS(C)(=O)=O)cc4)cc3)sc2c1 217282878 CUYFZKQIYCJITF-UHFFFAOYSA-N 452.561 5.287 70 10 JKIE C[C@]12CCCc3cc(OS(=O)(=O)C(F)(F)F)ccc3[C@@]1(Cc1ccccc1)CCC(=O)C2 1857787786 KLEDRLQUFCHLPF-PKTZIBPZSA-N 466.521 5.491 70 10 JKIE CCN[C@@H](c1cc(Br)c(Br)s1)c1ccc(Br)cc1OC 160655228 GWVMTYOKDFULJH-CYBMUJFWSA-N 484.051 5.743 70 10 JKIE CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@H]3[C@H]2CC[C@@]2(C)C(OS(=O)(=O)C(F)(F)F)=CC[C@H]32)C1 936069106 MCIVSCZCJRGEJR-XGFOFXRLSA-N 462.530 5.241 70 10 JKIE CCN[C@@H](c1cc(Br)ccc1Br)c1sc(C)cc1Br 159876745 ICOWLUQUHUMKSQ-ZDUSSCGKSA-N 468.052 6.043 70 10 JKIE CC(C)(C)c1ccc(OCCCNC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 217299502 VPJHOTJSJBPOHG-UHFFFAOYSA-N 462.434 6.612 70 10 JKIE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC([B-](F)(F)F)CC1 2212486986 RNBBEVMQOLWMAM-QHCPKHFHSA-N 473.324 5.390 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1 216657325 IJCGYLUBTYTXNZ-UHFFFAOYSA-N 474.557 5.702 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)c2ccc(Cl)cc2)cc1 216649832 PDWDKCBJXVXSAA-UHFFFAOYSA-N 452.894 5.058 70 10 JKIE Cc1ccc2nc(-c3ccc(NC(=O)N[C@@H]4CC(=O)N(Cc5ccccc5)C4)cc3)sc2c1 217287422 INNRJCKWAFMNNV-OAQYLSRUSA-N 456.571 5.194 70 10 JKIE CC(C)[C@H]1CC[C@@H](C)C[C@@H]1Nc1c(Br)cc(Br)cc1Br 218098088 BNPMXJZCNHKKOF-HCKVZZMMSA-N 468.071 6.847 70 10 JKIE CCN[C@@H](c1ccc(Br)cc1OC)c1cc(Br)sc1Br 160636816 KIXFNEPACWIBPN-ZDUSSCGKSA-N 484.051 5.743 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)CCc3cccc(C)c3)c2)cc1 216691404 PVBMUDDARDPFSC-UHFFFAOYSA-N 460.530 5.032 70 10 JKIE CC(C)(C)OC(=O)Nc1cc(I)cc(C(=O)N2CCC[C@@H]([B-](F)(F)F)C2)c1 2133911149 ADKTVDYMVSHQOO-GFCCVEGCSA-N 497.084 5.092 70 10 JKIE C[Si](C)(C)N1N([Si](C)(C)C)[Si](F)(F)N([Si](C)(C)C)N([Si](C)(C)C)[Si]1(F)F 247530256 ONSHSZVDOIPFKI-UHFFFAOYSA-N 480.956 5.127 70 10 JKIE Cc1c(N=[N+]=[N-])cc(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1OS(=O)(=O)F 1887551485 BMOVUNBJCKIFDZ-UHFFFAOYSA-N 482.493 5.569 70 10 JKIE COc1ccc(Br)cc1NC(=O)c1cc(Br)ccc1Br 159977789 ISQHBRBSJFPLLU-UHFFFAOYSA-N 463.951 5.235 70 10 JKIE C[C@H](NCc1cc(Br)c(O)c(Br)c1)c1ccccc1Br 218398145 VCAXVXYCAYHWDH-VIFPVBQESA-N 463.995 5.531 70 10 JKIE C[C@H]1C[C@H](Nc2c(Br)cc(Br)cc2Br)c2ccsc2S1 216991280 GDOJGRNCDMCEPX-MADCSZMMSA-N 498.103 7.073 70 10 JKIE CC(C)(C)OC(=O)Nc1cc(C(=O)N2CCC[C@@H]([B-](F)(F)F)C2)ccc1Br 2133916201 ZSYRJVTWXNRFEG-GFCCVEGCSA-N 450.084 5.250 70 10 JKIE CCOc1ccc([C@@H](NC)c2cc(Br)ccc2Br)cc1Br 159908041 OYINDSHYHNQUGV-MRXNPFEDSA-N 478.022 5.682 70 10 JKIE Cc1ccc(Br)c(C(=O)Nc2c(Br)cc(N)cc2Br)c1 161382455 RXMSFGYQZIQCDE-UHFFFAOYSA-N 462.967 5.117 70 10 JKIE CC(C)[C@@H]1CC[C@H](C)C[C@@H]1Nc1c(Br)cc(Br)cc1Br 218098177 BNPMXJZCNHKKOF-WBIUFABUSA-N 468.071 6.847 70 10 JKIE CCOc1cc(Cl)c(C(=O)c2cc(Br)ccc2Br)cc1Cl 159788124 IWOMEVJDYYMFCT-UHFFFAOYSA-N 452.957 6.148 70 10 JKIE O=C(Nc1ccc(Oc2ccccc2)cc1)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 217281192 PVKMJQRUDKBODP-UHFFFAOYSA-N 455.514 6.052 70 10 JKIE COC(=O)Cc1cc([B-](F)(F)F)cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c1C 1887520199 IKKIFQHPDAPVGC-UHFFFAOYSA-N 468.260 5.126 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)c2ccc(-c3ccccc3)cc2)cc1 216648780 ZTOUOVLQSQXTHI-UHFFFAOYSA-N 494.547 6.071 70 10 JKIE CCOc1cc(C(=O)Nc2ccccc2-c2cn3ccsc3n2)cc(OCC)c1OCC 218555346 MOPKICLOLYMBDR-UHFFFAOYSA-N 451.548 5.511 70 10 JKIE C[C@@H](NC(=O)c1cc(Br)ccc1Br)c1ccc(Cl)cc1Cl 160047191 VTLGNJJDJOZWKV-MRVPVSSYSA-N 451.973 6.009 70 10 JKIE CCN[C@H](Cc1ccc(Cl)cc1Cl)c1cc(Br)ccc1Br 160493132 LBJHQFNQSZQOLQ-MRXNPFEDSA-N 452.017 6.412 70 10 JKIE CCN[C@@H](Cc1ccc(Cl)cc1Cl)c1cc(Br)c(Br)s1 160520703 SRVTUMWOUDRVLS-LBPRGKRZSA-N 458.046 6.473 70 10 JKIE COc1ccc(OC)c(NC(=O)NCCCOc2ccc(C(C)(C)C)cc2Br)c1 217298508 AUPRKWOTEGMQSV-UHFFFAOYSA-N 465.388 5.354 70 10 JKIE O=S(=O)(Cl)c1cc(Br)cc(Cl)c1OCCCOCc1ccccc1 379913975 NSIAIWSEZBEKCQ-UHFFFAOYSA-N 454.169 5.016 70 10 JKIE CN[C@H](c1cc(Br)ccc1Br)c1cc(Br)c(C)cc1OC 159879780 IRPURQJCIKJTCD-MRXNPFEDSA-N 478.022 5.600 70 10 JKIE NC[C@H](c1ccc(Cl)c(Cl)c1)[C@@H](O)c1cc(Br)ccc1Br 161272370 ZHJOEPUSPRQMSQ-ABAIWWIYSA-N 453.989 5.294 70 10 JKIE CCc1cc(Br)cc(S(=O)(=O)Cl)c1OC[C@H](C)COCc1ccccc1 1890649322 CHCBJYSMFQCIGF-CQSZACIVSA-N 461.805 5.171 70 10 JKIE CN[C@H](c1cc(Br)ccc1Br)c1c(F)cccc1Br 160802898 BEQNGHQNRBUPRI-CQSZACIVSA-N 451.959 5.422 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)c2ccc(Cl)c(Cl)c2)cc1 216648009 ZRPIGYFVRDAAEG-UHFFFAOYSA-N 487.339 5.711 70 10 JKIE CC[C@H](C)c1ccccc1NC(=O)NCCCOc1ccc(C(C)(C)C)cc1Br 217298744 QIICYUSNLIURTF-KRWDZBQOSA-N 461.444 6.851 70 10 JKIE CCOC(=O)c1ccc(CNC(=O)NCCCOc2ccc(C(C)(C)C)cc2Br)cc1 217298765 LZWYDZWUYLFMLJ-UHFFFAOYSA-N 491.426 5.192 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)c2ccc(C(F)(F)F)cc2)cc1 216663978 XRONKGHLFYNNSQ-UHFFFAOYSA-N 486.446 5.423 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)c3cccc(Br)c3)c2)cc1 216676531 SPQQECFNZSCBNF-UHFFFAOYSA-N 497.345 5.167 70 10 JKIE Cc1c(C=O)c(C)c(N(C)C(=O)OCC2c3ccccc3-c3ccccc32)c(C)c1OS(=O)(=O)F 1887515242 PWQTZIXZMVDZLC-UHFFFAOYSA-N 497.544 5.403 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)cc1 216638359 AWNAFTSSDGQCAL-UHFFFAOYSA-N 486.446 5.423 70 10 JKIE CCCCN(C(=O)CCCCl)[C@H](CC)c1nc2ccccc2c(=O)n1-c1ccc(OC)cc1 33694038 FUKVRLMRPJXIPE-HSZRJFAPSA-N 470.013 5.493 70 10 JKIE CCOc1cc(NC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc(OCC)c1OCC 217275073 MESSSMXQMYMXTG-UHFFFAOYSA-N 491.613 7.112 70 10 JKIE CC(C)(C)OC(=O)Nc1cc(I)cc(C(=O)N2CCC([B-](F)(F)F)CC2)c1 2231041906 IUZKYYMXDNTOQJ-UHFFFAOYSA-N 497.084 5.092 70 10 JKIE CC(C)=C(Br)COc1c(Br)cc(S(=O)(=O)Cl)cc1Br 2340164517 WPRRTXBJEFEAOA-UHFFFAOYSA-N 497.430 5.207 70 10 JKIE COc1ccc(Br)cc1[C@@H](O)c1cc(Br)ccc1Br 161019751 XBQGWYGCFSWYFG-AWEZNQCLSA-N 450.952 5.064 70 10 JKIE C[C@H](N(Cc1ccccc1)C(=O)c1cc(Br)cc(S(=O)(=O)Cl)c1)C(C)(C)C 2152226817 DCCWDQRPIGJUPG-AWEZNQCLSA-N 472.832 5.454 70 10 JKIE CN[C@@H](c1cc(Br)ccc1Br)c1cc(Br)cc2c1OCC2 159905915 JUKPLRLJPMKREY-HNNXBMFYSA-N 476.006 5.218 70 10 JKIE CN(Cc1ccc(Cl)cc1Cl)C(=O)c1cc(Br)ccc1Br 160198039 FZWMASMLZXLPSE-UHFFFAOYSA-N 451.973 5.791 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)/C=C/c3cccc(Cl)c3)c2)cc1 216693967 LFNXPDKSZBAOGZ-NTEUORMPSA-N 478.932 5.457 70 10 JKIE Cc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc(OS(=O)(=O)F)c(C)c1S 1887520823 HINXFNMUCBPLFF-UHFFFAOYSA-N 487.574 5.224 70 10 JKIE Nc1onc(-c2cc(Br)ccc2Br)c1-c1ccccc1Br 160787630 BZDOXUDPUZGDIX-UHFFFAOYSA-N 472.962 5.878 70 10 JKIE NC[C@H](c1c(Cl)cccc1Cl)[C@H](O)c1cc(Br)ccc1Br 161261979 GYPOFGIOOLBNSX-MEBBXXQBSA-N 453.989 5.294 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)c2ccc(-n3cccc3)cc2)cc1 216658162 BQSFMLNKHPTEAE-UHFFFAOYSA-N 483.524 5.195 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)c3ccccc3Cl)c2)cc1 216676468 HYRAWSKYBWQYFV-UHFFFAOYSA-N 452.894 5.058 70 10 JKIE CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C(OS(=O)(=O)C(F)(F)F)=CC[C@@H]32)C1 1307360051 MCIVSCZCJRGEJR-QPNVGHEYSA-N 462.530 5.241 70 10 JKIE CSc1ccccc1NS(=O)(=O)c1cc(Br)c(C)cc1Br 159570984 QHMGFXHCHCSGPO-UHFFFAOYSA-N 451.205 5.043 70 10 JKIE O=C(Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)NC1CCCCCCCCCCC1 217281227 IAUPAZBCMVCGBJ-UHFFFAOYSA-N 453.627 6.410 70 10 JKIE CSc1cccc(NC(=O)NCCCOc2ccc(C(C)(C)C)cc2Br)c1 217298559 YNKZCYQHFVZKTQ-UHFFFAOYSA-N 451.430 6.059 70 10 JKIE CC(C)(C)c1ccc(OCCCNC(=O)NC(c2ccccc2)c2ccccc2)c(Br)c1 217298472 IQCFYDWBRVVMDM-UHFFFAOYSA-N 495.461 6.604 70 10 JKIE O=C(CCCOc1ccc(Br)cc1Cl)NCc1cccc(NC(=O)C(F)(F)F)c1 216836243 NYTIKAKBMURJLB-UHFFFAOYSA-N 493.707 5.079 70 10 JKIE Cc1ccc(NS(=O)(=O)c2cc(Br)c(C)cc2Br)cc1Cl 159531757 HBWJTQAZLUKRKH-UHFFFAOYSA-N 453.583 5.283 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)CCC3CCCCC3)cc2)cc1 216634211 VWFCSSVHHYLUDJ-UHFFFAOYSA-N 452.551 5.451 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)CCC3CCCCC3)c2)cc1 216684263 JKAXDMSZYZCDJJ-UHFFFAOYSA-N 452.551 5.451 70 10 JKIE CC(C)(C)c1ccc(OCCCNC(=O)Nc2ccccc2C(C)(C)C)c(Br)c1 217298676 MADBTIREJQLIIG-UHFFFAOYSA-N 461.444 6.635 70 10 JKIE O=S(=O)(Cl)c1cc(Br)c(OCc2cccc(Cl)c2)c(Br)c1 59148227 ZQVVMOGVFSMBKO-UHFFFAOYSA-N 474.985 5.372 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)CCc3ccc(C)cc3)c2)cc1 216685506 WCYPAMSTBNRQAA-UHFFFAOYSA-N 460.530 5.032 70 10 JKIE Cc1ccc2nc(-c3ccc(NC(=O)N[C@H]4CC(=O)N(Cc5ccccc5)C4)cc3)sc2c1 217287419 INNRJCKWAFMNNV-NRFANRHFSA-N 456.571 5.194 70 10 JKIE CCN[C@@H](c1cc(Br)ccc1Br)c1cc(Br)ccc1OC 159828591 FIHUPQMOFKDRBN-INIZCTEOSA-N 478.022 5.682 70 10 JKIE Nc1[nH]nc(-c2cc(Br)ccc2Br)c1-c1cccc(Br)c1 160743735 ZDMUTSWICFDNHC-UHFFFAOYSA-N 471.978 5.613 70 10 JKIE CC(C)(C)OC(=O)Nc1ccc(Br)c(C(=O)N2CCC([B-](F)(F)F)CC2)c1 2231042148 LHOZQOYBICFSPT-UHFFFAOYSA-N 450.084 5.250 70 10 JKIE CC(C)(C)c1ccc(OCCCNC(=O)N2C(C)(C)CC(N)CC2(C)C)c(Br)c1 217298583 ANSACGKXWBQTTP-UHFFFAOYSA-N 468.480 5.205 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)/C=C/c2ccc(Cl)cc2)cc1 216670098 VOUDXTSBESHQSW-CXUHLZMHSA-N 478.932 5.457 70 10 JKIE CCCN[C@@H](Cc1ccc(Cl)cc1Cl)c1cc(Br)c(Br)s1 160430553 MAXNUATWJBIWFR-ZDUSSCGKSA-N 472.073 6.863 70 10 JKIE O=S(=O)(Cl)c1ccc2c(c1)[C@@H](C(Cl)(Cl)Cl)O[C@@H](C(Cl)(Cl)Cl)O2 146664609 HMIRJHQVSJRBPK-YUMQZZPRSA-N 469.384 5.131 70 10 JKIE CCN(Cc1ccc(Br)s1)C(=O)c1cc(Br)ccc1Br 160371504 OGOFOZKXXRJHMY-UHFFFAOYSA-N 482.035 5.698 70 10 JKIE CC(C)c1ccc(O[C@H](C)NC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 217295905 WFMYVSCFGMXYPH-HSZRJFAPSA-N 457.618 5.652 70 10 JKIE O=C(NCOc1ccc(Cl)cc1Cl)N1CCN(C(c2ccccc2)c2ccccc2)CC1 217296946 WQFKNXAUXAMVNM-UHFFFAOYSA-N 470.400 5.447 70 10 JKIE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1ccccc1-c1csc(-c2ccccc2F)n1 218614052 KBTPKIFIUWDXOO-NRFANRHFSA-N 467.566 5.954 70 10 JKIE C[C@@H](COCc1ccccc1)COc1c(Cl)cc(Br)cc1S(=O)(=O)Cl 719538968 AMLSYTUBAFIYNC-LBPRGKRZSA-N 468.196 5.262 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)CCCOc3ccc(C)cc3)cc2)cc1 216630695 FHNACDWZPFFQDF-UHFFFAOYSA-N 490.556 5.258 70 10 JKIE O=C(C(N=Nc1ccccc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 254833022 BUNWVBKKOSKTMM-UHFFFAOYSA-N 484.539 6.777 70 10 JKIE Cc1c(C(=O)O)cc(N(C)C(=O)OCC2c3ccccc3-c3ccccc32)cc1[B-](F)(F)F 1887561398 NOGOLTXAHUNSNJ-UHFFFAOYSA-N 454.233 5.133 70 10 JKIE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@](C)([B-](F)(F)F)C2)cc1Br 2342475241 PHHIMBBQSLBYNJ-KRWDZBQOSA-N 450.084 5.250 70 10 JKIE CCCN[C@@H](Cc1ccc(Br)s1)c1ccc(I)cc1 160796521 BEKBWYJPCVKYGE-AWEZNQCLSA-N 450.183 5.399 70 10 JKIE COc1cc(NC(=O)Nc2ccccc2-c2csc(-c3ccccc3F)n2)cc(OC)c1OC 218675486 OUKOBTIXQGNIER-UHFFFAOYSA-N 479.533 6.286 70 10 JKIE CCCCCCCCCCCCCCCCN1C(=O)CS/C1=N\c1ccc(S(=O)(=O)F)cc1 105575396 FJFHRQZPZPTVDG-RFBIWTDZSA-N 498.730 7.389 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)c3cccc(Cl)c3)cc2)cc1 216625014 MUKOXXARTAYKSU-UHFFFAOYSA-N 452.894 5.058 70 10 JKIE CCOc1cc(Cl)c([C@@H](N)c2cc(Br)ccc2Br)cc1Cl 159902385 SFZXIGBVIKQSHR-HNNXBMFYSA-N 453.989 5.965 70 10 JKIE Nc1onc(-c2cc(Br)ccc2Br)c1-c1cccc(Br)c1 160785198 HGSQTQPASITXTF-UHFFFAOYSA-N 472.962 5.878 70 10 JKIE CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@H]3[C@@H]4CC=C(OS(=O)(=O)C(F)(F)F)[C@@]4(C)CC[C@H]32)C1 1307360049 MCIVSCZCJRGEJR-FSLXVOFHSA-N 462.530 5.241 70 10 JKIE Cc1ccc2nc(-c3ccc(NC(=O)NCCc4cccc(Br)c4)cc3)sc2c1 217497413 XIEORDPASMWUNF-UHFFFAOYSA-N 466.404 6.398 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)c2ccccc2Cl)cc1 216650852 STAJUZJMQBNTDH-UHFFFAOYSA-N 452.894 5.058 70 10 JKIE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@H]2C[C@@]2([B-](F)(F)F)C1 1901524154 SARGWVIYKPLLIT-AGSBLFPASA-N 471.308 5.144 70 10 JKIE CC[C@H](NC(=O)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1ccc2c(c1)CCCC2 217281186 QMMDXDZMIHMSJM-VWLOTQADSA-N 459.590 5.767 70 10 JKIE Cc1ccc2c(c1)C(=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1cc(C)ccc1-2 100071113 NNMDVOMSZDCEQK-UHFFFAOYSA-N 454.553 6.847 70 10 JKIE CC(C)(C)c1ccc(OCCCNC(=O)NCCc2ccccc2Cl)c(Br)c1 217298779 VJHTWZNMISOFRO-UHFFFAOYSA-N 467.835 5.711 70 10 JKIE COC(=O)Cc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(C)c([B-](F)(F)F)c1 1887504865 JVRMAPRPAWUOPF-UHFFFAOYSA-N 468.260 5.126 70 10 JKIE CCN[C@H](c1ccc(C)cc1Br)c1cc(Br)ccc1Br 161021679 BCPPQWZADJWUOC-MRXNPFEDSA-N 462.023 5.981 70 10 JKIE CC(C)(C)OC(=O)Nc1cc(C(=O)N2CC[C@](C)([B-](F)(F)F)C2)ccc1Br 2342485182 JFDXQKSUPKFJPS-KRWDZBQOSA-N 450.084 5.250 70 10 JKIE CCN[C@H](c1ccc(F)c(Br)c1)c1cc(Br)ccc1Br 159884210 JGEXACBJVVXLDF-OAHLLOKOSA-N 465.986 5.812 70 10 JKIE CCOc1ccc(CCNC(=O)NCCCOc2ccc(Br)cc2Cl)cc1OCC 217299082 OMBMFHQZQQYIHJ-UHFFFAOYSA-N 499.833 5.211 70 10 JKIE CCN[C@@H](c1cc(Br)c(Br)s1)c1c(F)cccc1Br 160862968 PJHFGEGQGNQVJZ-LBPRGKRZSA-N 472.015 5.874 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)c3ccc(C(F)(F)F)cc3)c2)cc1 216688337 WZSNVIOHRDEZIU-UHFFFAOYSA-N 486.446 5.423 70 10 JKIE CCCN(Cc1ccccc1)C(=O)c1cc(Br)ccc1I 217510502 YOWKCILDGAZJDJ-UHFFFAOYSA-N 458.137 5.106 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)COc2c(C)ccc(C)c2C)cc1 216655992 QTRSRIZYNOIUEJ-UHFFFAOYSA-N 490.556 5.095 70 10 JKIE O=S(=O)(Cl)c1ccc(OC(F)=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 2333212642 JHPOMBWYTNUPKL-UHFFFAOYSA-N 472.659 5.569 70 10 JKIE C[C@H](NC(=O)NCCCOc1ccc(Br)cc1Cl)C12CC3CC(CC(C3)C1)C2 217298890 HOKDFMDTCGLJCA-HIGJEIRPSA-N 469.851 5.776 70 10 JKIE COc1cc([C@H]2NN=C3CCN(Cc4ccccc4)C[C@H]32)ccc1OCc1cc(C)ccc1C 217062799 NBTBTUIQAZRSKY-VAVYLYDRSA-N 455.602 5.413 70 10 JKIE O=C(NCCCN1C(=O)c2ccc(Br)cc2C1=O)Nc1ccc(Oc2ccccc2)cc1 217306464 TXMNERGDAIHGHT-UHFFFAOYSA-N 494.345 5.049 70 10 JKIE Cc1c(N(C)C(=O)OCC2c3ccccc3-c3ccccc32)cc(C(=O)O)cc1[B-](F)(F)F 1887519934 PVGVJESLJXGJJK-UHFFFAOYSA-N 454.233 5.133 70 10 JKIE CC(C)(C)OC(=O)Nc1ccc(Br)c(C(=O)N2CC[C@H]3C[C@@]3([B-](F)(F)F)C2)c1 2194131719 DHTYARGWAMYXBW-BBATYDOGSA-N 462.095 5.250 70 10 JKIE N[C@@H](Cc1cc(Br)ccc1F)c1cc(Br)ccc1Br 160422345 DUKUNRLWYFONMY-AWEZNQCLSA-N 451.959 5.356 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)CCc3ccccc3C)c2)cc1 216690702 CWQSJKNVHFVNGL-UHFFFAOYSA-N 460.530 5.032 70 10 JKIE CCOc1ccc([C@H](NC)c2cc(Br)ccc2Br)cc1Br 159907920 OYINDSHYHNQUGV-INIZCTEOSA-N 478.022 5.682 70 10 JKIE CCCN[C@@H](Cc1ccc(Br)s1)c1cc(Br)ccc1Br 160716312 HHMRQLFYDYOGEK-AWEZNQCLSA-N 482.079 6.319 70 10 JKIE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@H]([B-](F)(F)F)C1 1902523039 WHKHKMJVBINZRC-HXOBKFHXSA-N 473.324 5.390 70 10 JKIE CCCN[C@H](Cc1ccc(Br)s1)c1cccc(I)c1 160701016 FCBCLDKLQUFEKI-CQSZACIVSA-N 450.183 5.399 70 10 JKIE COC(=O)c1cc(N(C)C(=O)OCC2c3ccccc3-c3ccccc32)cc([B-](F)(F)F)c1C 1887520489 VOGCLIGRIMLKGY-UHFFFAOYSA-N 468.260 5.221 70 10 JKIE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@@H]([B-](F)(F)F)C1 2248875715 WIRTUTWLESPPJR-HOYKHHGWSA-N 487.351 5.780 70 10 JKIE CCCN[C@H](Cc1cc(Br)ccc1F)c1ccccc1I 160190087 IIIVXRRRXSYSEK-QGZVFWFLSA-N 462.144 5.476 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 216651156 GPPQIXDAGVBKKX-UHFFFAOYSA-N 490.600 5.697 70 10 JKIE Cc1cc(Br)c(NC(=O)c2cc(Br)ccc2Br)cc1Cl 159982597 VDMFFXVGCPCPOI-UHFFFAOYSA-N 482.397 6.188 70 10 JKIE CCN(CC)c1ccc(NC(=O)NCCCOc2ccc(C(C)(C)C)cc2Br)cc1 217298683 QAUGJXZIWPXIKX-UHFFFAOYSA-N 476.459 6.183 70 10 JKIE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@H]2C[C@]2([B-](F)(F)F)C1 1909835833 FYKHGYSEWJEJAK-BPKZHXITSA-N 485.335 5.390 70 10 JKIE CCCCN(C(=O)CCCCl)[C@@H](CC)c1nc2ccccc2c(=O)n1-c1ccc(C)c(C)c1 34688998 YNRKLRCMVJBPNB-DEOSSOPVSA-N 468.041 6.101 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)CCc3ccccc3C)c2)cc1 216690766 MDOXSYOYHJRHSH-UHFFFAOYSA-N 460.530 5.032 70 10 JKIE COc1cccc(N2C[C@H](C(=O)Nc3ccccc3-c3csc(-c4ccccc4F)n3)CC2=O)c1 218608295 PYQLEPQSEGKOJT-QGZVFWFLSA-N 487.556 5.616 70 10 JKIE Cc1cc(I)ccc1NC(=O)NCOc1ccc(Cl)cc1Cl 217297108 SZFRKUOUAVYSFD-UHFFFAOYSA-N 451.091 5.064 70 10 JKIE COC(=O)Cc1c(C)c(NC(=O)OCC2c3ccccc3-c3ccccc32)c(C)c([B-](F)(F)F)c1C 1887561463 DKNBNKJTZOKGNE-UHFFFAOYSA-N 496.314 5.743 70 10 JKIE CCCCCOc1ccc(C(=O)C=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 196202846 AAJYPUKBVXBHCE-UHFFFAOYSA-N 466.561 6.235 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)CCc3ccccc3Cl)c2)cc1 216691197 AEKSQAXPBCFVPJ-UHFFFAOYSA-N 480.948 5.377 70 10 JKIE COCCCN1C(=O)c2ccc(NC(=O)Nc3ccccc3Sc3ccccc3)cc2C1=O 217280796 FCHBAPFEJSBZGO-UHFFFAOYSA-N 461.543 5.114 70 10 JKIE O=C(Nc1nc2ccc3scnc3c2s1)c1cc2ccccc2cc1OCCN1CCOCC1 217459858 STIKZBGUTXYPTP-UHFFFAOYSA-N 490.610 5.023 70 10 JKIE NC[C@@H](c1c(Cl)cccc1Cl)[C@@H](O)c1cc(Br)ccc1Br 161262351 GYPOFGIOOLBNSX-BONVTDFDSA-N 453.989 5.294 70 10 JKIE Cc1cc(Br)c(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1Br 159533585 QMQPSKIROLRLGH-UHFFFAOYSA-N 474.001 5.628 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)/C=C/c2ccccc2C)cc1 216668485 JYELEVAKMXNBDL-SAPNQHFASA-N 458.514 5.112 70 10 JKIE Cc1ccc(OCNC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C(C)(C)C)c1 217289940 CYHQMMTWABXJHP-UHFFFAOYSA-N 471.645 5.746 70 10 JKIE CC(C)(C)c1ccc(OCCCNC(=O)N2CCN(Cc3ccccc3)CC2)c(Br)c1 217298538 BEGJELJXHPRKBZ-UHFFFAOYSA-N 488.470 5.043 70 10 JKIE Cc1cc(I)ccc1NC(=O)NCCCOc1ccc(C(C)(C)C)cc1 217299358 TYLJGWPKQMGLCN-UHFFFAOYSA-N 466.363 5.488 70 10 JKIE C#Cc1cc(C[B-](F)(F)F)cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c1 1887522763 LRNXOZNRDGXPPB-UHFFFAOYSA-N 489.326 5.668 70 10 JKIE CCCN[C@@H](Cc1ccc(Br)s1)c1cc(Br)c(Br)s1 160661155 AVTIWQJTKZVCCG-JTQLQIEISA-N 488.108 6.381 70 10 JKIE NC[C@H](c1c(Cl)cccc1Cl)[C@@H](O)c1cc(Br)ccc1Br 161262240 GYPOFGIOOLBNSX-BMIGLBTASA-N 453.989 5.294 70 10 JKIE O=S(=O)(Cl)c1ccc(Oc2ccc(Br)cc2Cl)c(Br)c1 109526899 ONYMWFMSOUISRY-UHFFFAOYSA-N 460.958 5.585 70 10 JKIE CN[C@@H](Cc1cc(Br)ccc1F)c1cc(Br)ccc1Br 160422065 UFRJXXRVJMKCMR-HNNXBMFYSA-N 465.986 5.616 70 10 JKIE Cc1cc(Br)c(S(=O)(=O)N[C@@H](C)c2ccc(Cl)s2)cc1Br 159595241 XXAYUZMUUHRXSX-QMMMGPOBSA-N 473.639 5.274 70 10 JKIE O=C(NCCCOc1ccc(Br)cc1Cl)Nc1ccc(Cl)cc1C(F)(F)F 217299132 XCFHRUMDSVFSBP-UHFFFAOYSA-N 486.115 6.365 70 10 JKIE O=C(NCCCOc1ccc(Br)cc1Cl)NCc1ccc(Br)cc1 217299186 HVNZYLKYZQVJSD-UHFFFAOYSA-N 476.596 5.133 70 10 JKIE O=C(NCCc1cccc(Br)c1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 217494586 BOQRVHWNNVQENY-UHFFFAOYSA-N 455.196 5.851 70 10 JKIE CCCCN(C(=O)CCCCl)[C@@H](CC)c1nc2ccccc2c(=O)n1-c1ccc(OC)cc1 33694037 FUKVRLMRPJXIPE-QHCPKHFHSA-N 470.013 5.493 70 10 JKIE O=C(NCc1cc(F)ccc1Br)c1cc(Br)ccc1Br 160444771 QKIBCKSYAHOQGE-UHFFFAOYSA-N 465.942 5.043 70 10 JKIE Cc1cc(NC(=O)NCCCOc2ccc(C(C)(C)C)cc2Br)ccc1Br 217298738 NLNIUFIAMLKCBK-UHFFFAOYSA-N 498.259 6.408 70 10 JKIE CCOc1ccc(NC(=O)NCCCOc2ccc(Br)cc2Cl)cc1OCC 217298969 UGKFBOAZKNWOMB-UHFFFAOYSA-N 471.779 5.491 70 10 JKIE C[C@H](COCc1ccccc1)COc1c(Cl)cc(Br)cc1S(=O)(=O)Cl 719538961 AMLSYTUBAFIYNC-GFCCVEGCSA-N 468.196 5.262 70 10 JKIE CC[C@H](NS(=O)(=O)c1cc(Br)c(C)cc1Br)c1cccs1 159627308 ROFNYPISGXJSTK-LBPRGKRZSA-N 453.221 5.011 70 10 JKIE CC(C)(C)OC(=O)Nc1cc(Br)cc(C(=O)N2CC[C@@H]3C[C@@]3([B-](F)(F)F)C2)c1 2194131790 FEONULFUQGLGNZ-KZULUSFZSA-N 462.095 5.250 70 10 JKIE CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H]([N+](=O)[O-])[C@@]4(Cl)C[C@@H](Cl)CC[C@]4(C)[C@H]3CC[C@@]21C 136722668 KJNJTCUBWIYXDS-ZEQHCUNVSA-N 486.568 8.332 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)c3cccc(Br)c3)cc2)cc1 216625224 NWTUICVIBZOJNE-UHFFFAOYSA-N 497.345 5.167 70 10 JKIE CC(C)(C)c1ccc(OCCCNC(=O)N2CCN(c3ccccc3F)CC2)c(Br)c1 217298734 WGHGIVNNVKVWEL-UHFFFAOYSA-N 492.433 5.186 70 10 JKIE COc1ccc([C@H](O)c2cc(Br)ccc2Br)c(OC)c1Br 161057964 GIWHRDGWRWGOKV-AWEZNQCLSA-N 480.978 5.073 70 10 JKIE O=C(N/N=C(\c1ccc(Cl)cc1)c1ccc(OS(=O)(=O)C(F)(F)F)cc1)Nc1ccccc1 1615950197 RWNGUDVUKNWFKC-ZXVVBBHZSA-N 497.882 5.143 70 10 JKIE Cc1cc(Br)c(S(=O)(=O)N[C@H](C)c2ccc(Cl)s2)cc1Br 159595384 XXAYUZMUUHRXSX-MRVPVSSYSA-N 473.639 5.274 70 10 JKIE CN[C@@H](c1cc(Br)ccc1Br)c1cc(Br)ccc1OC 159814913 LUUBIPSLCMTKJO-HNNXBMFYSA-N 463.995 5.292 70 10 JKIE CC(C)(C)OC(=O)Nc1ccc(Br)c(C(=O)N2CC[C@](C)([B-](F)(F)F)C2)c1 2342471260 AJIVDLBBPVHXEC-KRWDZBQOSA-N 450.084 5.250 70 10 JKIE NC[C@H](c1ccc(Cl)cc1Cl)[C@H](O)c1cc(Br)ccc1Br 161268225 WVIPMHNCMGQJNB-IUODEOHRSA-N 453.989 5.294 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)c3cc(Cl)ccc3Cl)cc2)cc1 216632489 LRGDNUCOPJRRJL-UHFFFAOYSA-N 487.339 5.711 70 10 JKIE Cc1ccc(NS(=O)(=O)c2cc(Br)c(C)cc2Br)c(Cl)c1 159551971 VKXJBEVAPVOPKN-UHFFFAOYSA-N 453.583 5.283 70 10 JKIE CCN[C@@H](c1cc(C)ccc1Br)c1cc(Br)ccc1Br 161445501 NKDYZUKWROTYOS-INIZCTEOSA-N 462.023 5.981 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)CCCOc3ccc(C)cc3)cc2)cc1 216630761 LKLFPPLNDZDWNK-UHFFFAOYSA-N 490.556 5.258 70 10 JKIE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC[C@H]([B-](F)(F)F)C2)cc1Br 2133912532 IXIQKPMRRSCYQJ-LBPRGKRZSA-N 450.084 5.250 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)CCc3cccc(Cl)c3)cc2)cc1 216641855 ZHMFANYHQONZFQ-UHFFFAOYSA-N 480.948 5.377 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)/C=C/c3ccc(Cl)cc3)c2)cc1 216694605 SIWPIDRXRWMQQE-OVCLIPMQSA-N 478.932 5.457 70 10 JKIE CN[C@@H](Cc1cc(Br)ccc1F)c1cc(Br)c(Br)s1 160347907 LZKHAFQHDLJBLU-NSHDSACASA-N 472.015 5.678 70 10 JKIE COc1c(Br)cc(CNc2c(C)cc(C)cc2Br)cc1Br 159643361 ZWPOJEFVEQWNGR-UHFFFAOYSA-N 478.022 6.212 70 10 JKIE COc1ccc(C(=O)c2cc(Br)ccc2Br)c(OC)c1Br 159792951 YUCTZWVYJAIZIA-UHFFFAOYSA-N 478.962 5.222 70 10 JKIE COC(=O)c1c(C)c(N(C)C(=O)OCC2c3ccccc3-c3ccccc32)c(C)c([B-](F)(F)F)c1C 1887511270 SBKJJWQWCXRUHV-UHFFFAOYSA-N 496.314 5.838 70 10 JKIE Cc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc([B-](F)(F)F)cc1N=[N+]=[N-] 1887519770 KBHDFRLKFABSHZ-UHFFFAOYSA-N 451.237 6.030 70 10 JKIE CCOc1ccc(C(=O)c2cc(Br)ccc2Br)cc1Br 159791232 FQUDHILGTNQVMF-UHFFFAOYSA-N 462.963 5.604 70 10 JKIE CC(C)(C)c1ccc(OCCCNC(=O)Nc2cccc3c(O)cccc23)c(Br)c1 217298480 CBBBZXJVFYHZPE-UHFFFAOYSA-N 471.395 6.196 70 10 JKIE CCCN[C@@H](c1cc(C)ccc1Br)c1cc(Br)sc1Br 161455119 XIERPUVYOFRUDV-AWEZNQCLSA-N 482.079 6.433 70 10 JKIE O=S(=O)(Cl)c1ccc(Oc2ccc(Br)c(Cl)c2)c(Br)c1 313516327 FQKDFSVRKIWKDE-UHFFFAOYSA-N 460.958 5.585 70 10 JKIE CCN[C@@H](c1cc(Br)ccc1Br)c1cc(Br)sc1C 159881357 DPFGCXJITPRJRV-CQSZACIVSA-N 468.052 6.043 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)CCCOc3ccc(C)cc3)c2)cc1 216681344 IHMKOTJMCGZBAG-UHFFFAOYSA-N 490.556 5.258 70 10 JKIE O=C(NCCCC(=O)N1CC[C@H]2C[C@@]2([B-](F)(F)F)C1)OCC1c2ccccc2-c2ccccc21 2243904729 GCPVHBVOUZDGKB-SSOJOUAXSA-N 471.308 5.145 70 10 JKIE O=S(=O)(Cl)c1ccc(Oc2ccc(Br)cc2Br)cc1Cl 1927664054 LSROENSCFBBTRM-UHFFFAOYSA-N 460.958 5.585 70 10 JKIE O=S(=O)(Cl)c1cc(Br)cc(Cl)c1OCc1cccc(Br)c1 59080117 NWWNIKMTFNVNEM-UHFFFAOYSA-N 474.985 5.372 70 10 JKIE Cc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc(N=[N+]=[N-])c(C)c1[B-](F)(F)F 1887561526 IEURVNWQIIWMQX-UHFFFAOYSA-N 465.264 6.338 70 10 JKIE CC(C)(C)OC(=O)Nc1c(Br)cc(Br)cc1C=CCS(=O)(=O)Cl 1952438673 KCPNHKVJBVVATH-UHFFFAOYSA-N 489.613 5.140 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)c3cc(Cl)ccc3OC)c2)cc1 216679038 YGPBHXNKXRRULA-UHFFFAOYSA-N 482.920 5.066 70 10 JKIE CCCN[C@H](c1cc(Br)ccc1Br)c1cc(Br)sc1C 159881733 DXVQJZFJCRZVDK-HNNXBMFYSA-N 482.079 6.433 70 10 JKIE CN[C@H](c1cc(C)c(Br)cc1C)c1cc(Br)ccc1Br 159870100 YXRMNMADRUQZML-MRXNPFEDSA-N 462.023 5.900 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)CCCOc3ccccc3C)cc2)cc1 216631339 FYBIRWHMQBVNHK-UHFFFAOYSA-N 490.556 5.258 70 10 JKIE COc1cc(Br)ccc1[C@H](O)c1cc(Br)c(C)cc1Br 160758927 KLXSAZXKKXLDTK-HNNXBMFYSA-N 464.979 5.373 70 10 JKIE CC(C)(C)c1ccc(OCCCNC(=O)Nc2cc(Cl)ccc2Cl)c(Br)c1 217298428 IYXAQMOWWQNWHG-UHFFFAOYSA-N 474.226 6.644 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)[C@@H](C)Oc3ccc(Cl)cc3)cc2)cc1 216630085 KNCAXYWKRXYSPV-QGZVFWFLSA-N 496.947 5.211 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)c3ccccc3Cl)c2)cc1 216676412 IZYGQERZHDUIHQ-UHFFFAOYSA-N 452.894 5.058 70 10 JKIE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@H]2C[C@]2([B-](F)(F)F)C1 1901478784 SARGWVIYKPLLIT-LREARKGRSA-N 471.308 5.144 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)/C=C/c3ccc(C)cc3)c2)cc1 216694288 DLUFUQXCOXSMCK-LFIBNONCSA-N 458.514 5.112 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)c2ccc(C(F)(F)F)cc2)cc1 216663935 PRSAPYANGLHRGR-UHFFFAOYSA-N 486.446 5.423 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)COc3c(C)ccc(C)c3C)c2)cc1 216681152 VEBKNVMQGWBDKY-UHFFFAOYSA-N 490.556 5.095 70 10 JKIE C[C@H](NC(=O)c1cc(Br)ccc1Br)c1ccc(Cl)cc1Cl 160047048 VTLGNJJDJOZWKV-QMMMGPOBSA-N 451.973 6.009 70 10 JKIE COc1cc(Br)c([C@H](O)c2cc(Br)ccc2Br)cc1OC 161029105 MUPVIDPOWOYQEN-OAHLLOKOSA-N 480.978 5.073 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)c2ccc(Br)cc2)cc1 216650427 YOGPQULPMLTNQX-UHFFFAOYSA-N 497.345 5.167 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)c3c(F)cccc3Cl)c2)cc1 216688453 AWRDDEIWMSVMJN-UHFFFAOYSA-N 470.884 5.197 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)CCc3ccc(Cl)cc3)c2)cc1 216685924 ODRZJOLDSFHEBH-UHFFFAOYSA-N 480.948 5.377 70 10 JKIE COc1ccc(NC(=O)NCCCOc2ccc(C(C)(C)C)cc2Br)c(OC)c1 217298597 AIZURWUJVXVRDN-UHFFFAOYSA-N 465.388 5.354 70 10 JKIE CN[C@H](c1ccc(C)cc1Br)c1cc(Br)c(C)cc1Br 161049696 YZFLYXRIYLZNCR-MRXNPFEDSA-N 462.023 5.900 70 10 JKIE CCCc1ccc(OCC(=O)NCc2ccccc2NC(=O)c2ccc(OC(=O)OCC)cc2)cc1 216655634 WQXRCDDLBDPVFC-UHFFFAOYSA-N 490.556 5.122 70 10 JKIE CCN(CC)c1ccc(NC(=O)NCCCOc2ccc(Br)cc2Cl)cc1 217299095 BCATVFVLLMQHPV-UHFFFAOYSA-N 454.796 5.539 70 10 JKIE O=S(=O)(NC[C@H]1CCCN1c1nccs1)c1ccc(-c2ccc(Cl)c(Cl)c2)cc1 217803344 FZFNIVKLPUOJLT-MRXNPFEDSA-N 468.431 5.064 70 10 JKIE CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@@]2(C)C(OS(=O)(=O)C(F)(F)F)=CC[C@H]32)C1 256764423 MCIVSCZCJRGEJR-JNCUIMROSA-N 462.530 5.241 70 10 JKIE O=S(=O)(Cl)c1ccc(Oc2cc(I)ccc2Cl)c(Cl)c1 2288322824 QAZQXIMOZLOZOP-UHFFFAOYSA-N 463.507 5.318 70 10 JKIE CC(C)(C)OC(=O)Nc1cc(Br)cc(C(=O)N2CC[C@@](C)([B-](F)(F)F)C2)c1 2342471686 BICGEFHJELVUST-QGZVFWFLSA-N 450.084 5.250 70 10 JKIE N[C@@H](c1cc(Br)ccc1Br)c1cc(C(F)(F)F)ccc1Br 159735181 JYYDCPDVMOFKEB-CYBMUJFWSA-N 487.939 6.041 70 10 JKIE CCCCCCCCCCCCCCCCCC[Si](C)(Cl)CCCc1ccccc1 197900663 OLYMXDLPDDXGGI-UHFFFAOYSA-N 451.255 10.695 70 10 JKIE c1ccc(-c2ccccc2B(c2ccccc2-c2ccccc2)c2ccccc2-c2ccccc2)cc1 202423851 AZVWHWWKSRKBLP-UHFFFAOYSA-N 470.424 7.204 70 10 JKIE Nc1[nH]nc(-c2cc(Br)ccc2Br)c1-c1ccc(Br)cc1 160731764 MRBZUBXACFCDGO-UHFFFAOYSA-N 471.978 5.613 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)c3cccc(Br)c3)cc2)cc1 216625267 PYQYNSYBGGSLGN-UHFFFAOYSA-N 497.345 5.167 70 10 JKIE O=C(Nc1cccc(Br)c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 217275619 CVPIMENAGCWSME-UHFFFAOYSA-N 450.380 5.388 70 10 JKIE CCN(Cc1ccc(Cl)s1)C(=O)c1cc(Br)ccc1I 217864177 KVKUGYATSJHQLP-UHFFFAOYSA-N 484.584 5.431 70 10 JKIE O=C(NCCCOc1ccc(Br)cc1Cl)NCCc1ccccc1Br 217299191 WFARISMNVGIQLA-UHFFFAOYSA-N 490.623 5.176 70 10 JKIE O=C(NCCCOc1ccc(Br)cc1Cl)Nc1ccccc1Sc1ccccc1 217298939 ISCHJBFNBHJBKC-UHFFFAOYSA-N 491.838 6.844 70 10 JKIE CC(=O)C(N=Nc1ccc([N+](=O)[O-])cc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 254850590 FIWWRPAELFDBSU-UHFFFAOYSA-N 467.465 5.392 70 10 JKIE COc1ccc([C@@H](N)c2cc(Br)ccc2Br)c(OC)c1Br 159912517 LCYOOBUBCPZPIV-CQSZACIVSA-N 479.994 5.039 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)/C=C/C3CCCCC3)c2)cc1 216695989 CUWHOTGEORJPLN-LFIBNONCSA-N 450.535 5.227 70 10 JKIE Nc1onc(-c2cc(Br)ccc2Br)c1-c1ccc(Br)cc1 160781116 BHDDPGNJUHOCAB-UHFFFAOYSA-N 472.962 5.878 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)/C=C/c2cccc(Cl)c2)cc1 216669439 QHKMNCWYSFOSII-XNTDXEJSSA-N 478.932 5.457 70 10 JKIE CCCOc1ccc(C(=O)c2cc(Br)ccc2Br)cc1Br 159791497 ZBWXUDGNOTVEDI-UHFFFAOYSA-N 476.990 5.994 70 10 JKIE O=S(=O)(Cl)c1ccc(Oc2cc(Br)ccc2Cl)c(Br)c1 113928542 GHAHFRCWEGLJAU-UHFFFAOYSA-N 460.958 5.585 70 10 JKIE O=C(C(c1nc2ccccc2[nH]1)=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 102133540 YSAHHGYEDMDQAN-UHFFFAOYSA-N 496.550 5.960 70 10 JKIE O=C(NCCc1ccccc1Br)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 217390062 FIIDAJJFVHWUQV-UHFFFAOYSA-N 455.196 5.851 70 10 JKIE COc1cc(Br)ccc1C(=O)Nc1c(Br)cc(C)cc1Br 160668138 VWTGZJPTEXMCDH-UHFFFAOYSA-N 477.978 5.543 70 10 JKIE Nc1noc(-c2cc(Br)ccc2Br)c1-c1cccc(Br)c1 161309851 FCXNRPXMLIILIE-UHFFFAOYSA-N 472.962 5.878 70 10 JKIE CCN[C@@H](Cc1ccc(F)cc1Br)c1csc(I)c1 161383185 YMDHNPVBKCUILC-ZDUSSCGKSA-N 454.146 5.148 70 10 JKIE CCOc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)cc1OCC 217281243 YHKNVUKKZUCBHC-UHFFFAOYSA-N 451.523 5.057 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)CCC(=O)c3ccc(C)cc3)c2)cc1 216678617 SSPJBIXMBOCBDJ-UHFFFAOYSA-N 488.540 5.062 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)c2ccccc2C(F)(F)F)cc1 216658673 NUEUKRBMHQIFGI-UHFFFAOYSA-N 486.446 5.423 70 10 JKIE CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)NCCCOc2ccc(C(C)(C)C)cc2Br)C1 217298659 DTHXIBDMNVCEAW-MHECFPHRSA-N 465.476 6.126 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)c3cccc(Cl)c3)c2)cc1 216676305 ZVNIBINVNZUGKF-UHFFFAOYSA-N 452.894 5.058 70 10 JKIE CCCN[C@H](c1ccc(C)cc1Br)c1cc(Br)ccc1Br 161028422 CMZCOMGWMSNJBT-QGZVFWFLSA-N 476.050 6.372 70 10 JKIE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@H]2C[C@]2([B-](F)(F)F)C1 1909835834 FYKHGYSEWJEJAK-NPTLNSMLSA-N 485.335 5.390 70 10 JKIE CCCN[C@H](c1ccc(Br)cc1OC)c1cc(Br)sc1Br 160639898 FKQJXLWOGHEWOY-CQSZACIVSA-N 498.078 6.133 70 10 JKIE CC(C)(C)c1ccc(OCCCNC(=O)Nc2ccc(Br)cc2)c(Br)c1 217298402 QOQPLCUOMWIEOR-UHFFFAOYSA-N 484.232 6.100 70 10 JKIE C[C@H](NC(=O)c1cc(Br)ccc1I)c1cccc(Cl)c1 217446682 PSGMQQAGMNIGEQ-VIFPVBQESA-N 464.528 5.198 70 10 JKIE CNc1c(C)c(CNC(=O)OCC2c3ccccc3-c3ccccc32)c(C)c(S(=O)(=O)F)c1C 1887515018 BJGPRKPMRUOFJN-UHFFFAOYSA-N 482.577 5.350 70 10 JKIE CCCCN(C(=O)CCCCl)[C@H](CC)c1nc2ccccc2c(=O)n1-c1ccc(C)c(C)c1 34688999 YNRKLRCMVJBPNB-XMMPIXPASA-N 468.041 6.101 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)CCC3CCCCC3)cc2)cc1 216634276 HHXZUXYSLJFRAO-UHFFFAOYSA-N 452.551 5.451 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)CCc3ccccc3C)cc2)cc1 216640731 RCXDOAKWBMJAFY-UHFFFAOYSA-N 460.530 5.032 70 10 JKIE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@@](C)([B-](F)(F)F)C2)cc1I 2342476180 XBMPLAWHXZKFCX-QGZVFWFLSA-N 497.084 5.092 70 10 JKIE CCCN[C@@H](Cc1ccc(Br)s1)c1cccc(I)c1 160700883 FCBCLDKLQUFEKI-AWEZNQCLSA-N 450.183 5.399 70 10 JKIE O=S(=O)(Cl)c1ccc(Oc2cccc(Br)c2Cl)c(Br)c1 2157917587 XPHADXZFNJGAIY-UHFFFAOYSA-N 460.958 5.585 70 10 JKIE CCN[C@@H](c1ccc(OC)cc1Br)c1cc(Br)ccc1Br 159852539 CLJPGKIUFDQCMK-INIZCTEOSA-N 478.022 5.682 70 10 JKIE O=C(NCCc1ccc(Cl)cc1Cl)c1cc(Br)ccc1Br 160025112 IISJKKRYDBVPAY-UHFFFAOYSA-N 451.973 5.491 70 10 JKIE CCN[C@H](c1cc(Br)c(Br)s1)c1c(F)cccc1Br 160863095 PJHFGEGQGNQVJZ-GFCCVEGCSA-N 472.015 5.874 70 10 JKIE CCN[C@H](Cc1ccc(F)cc1Br)c1csc(I)c1 161383305 YMDHNPVBKCUILC-CYBMUJFWSA-N 454.146 5.148 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)/C=C/c3cccc(Cl)c3)cc2)cc1 216644078 VKXGHQMEEXVLHE-OVCLIPMQSA-N 478.932 5.457 70 10 JKIE Cc1cc(NC(=O)Nc2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)ccc1Br 217281425 QJUDCABHADGQCQ-UHFFFAOYSA-N 456.340 5.330 70 10 JKIE Cc1c(S)c(C)c([B-](F)(F)F)c(C)c1CNC(=O)OCC1c2ccccc2-c2ccccc21 1887515431 UGDXFUIGKSEOTP-UHFFFAOYSA-N 470.345 5.994 70 10 JKIE Cc1nc(-c2ccccc2NC(=O)C2CCN(c3cc(-c4ccccc4)ncn3)CC2)cs1 218601284 DOOMZMVZRLCMJI-UHFFFAOYSA-N 455.587 5.431 70 10 JKIE Brc1cc(Br)c(N[C@H]2C[C@@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)c(Br)c1 218097755 VZTSUARJDHETSR-CDIFYPATSA-N 464.039 6.211 70 10 JKIE F[B-](F)(F)c1cnc(Sc2cc(I)ccc2Br)c(Cl)c1 2338309796 ZXGHVOUZYUBNKR-UHFFFAOYSA-N 493.302 5.308 70 10 JKIE CCOc1ccc(NC(=O)NCCCOc2ccc(C(C)(C)C)cc2Br)cc1OCC 217298557 CKJXDRWWELIXRQ-UHFFFAOYSA-N 493.442 6.135 70 10 JKIE Cc1c(N(C)C(=O)OCC2c3ccccc3-c3ccccc32)cc(CC(=O)O)cc1[B-](F)(F)F 1887520327 YYCXEXPDKYKGEK-UHFFFAOYSA-N 468.260 5.062 70 10 JKIE N[C@@H](c1cc(Br)c(Br)s1)c1cc(C(F)(F)F)ccc1Br 159754431 TVOQUQNXIPKZCV-SNVBAGLBSA-N 493.968 6.103 70 10 JKIE COc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1OC 216897643 KNXDUPQVTAFYGZ-UHFFFAOYSA-N 452.510 5.875 70 10 JKIE CC(C)(C)OC(=O)Nc1ccc(Br)c(C(=O)N2CC[C@@H]3C[C@@]3([B-](F)(F)F)C2)c1 2194131718 DHTYARGWAMYXBW-ADLMAVQZSA-N 462.095 5.250 70 10 JKIE O=C(CCCOc1ccc(Br)cc1Cl)Nc1cccc(CNC(=O)C(F)(F)F)c1 216836190 IGKDCGVHOMQNKC-UHFFFAOYSA-N 493.707 5.079 70 10 JKIE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@H]2C[C@]2([B-](F)(F)F)C1 2311107719 HFTDQQNVTFSCHO-SWFWOGBESA-N 499.362 5.780 70 10 JKIE N[C@H](c1cc(C(F)(F)F)ccc1Br)c1cc(Br)sc1Br 159737483 MOPJQMIAWHQRQY-SNVBAGLBSA-N 493.968 6.103 70 10 JKIE CN[C@@H](c1cc(Br)c(C)cc1Br)c1c(F)cccc1Br 160867194 ZBUKHXOXKJLXOH-HNNXBMFYSA-N 465.986 5.730 70 10 JKIE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H]([B-](F)(F)F)C1 1988763520 CDKJUKNTZKRDLS-GAJHUEQPSA-N 473.324 5.390 70 10 JKIE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@@H]3C[C@]3([B-](F)(F)F)C2)cc1Br 2194131496 BGCZWGIMBWRAGS-XIKOKIGWSA-N 462.095 5.250 70 10 JKIE CN[C@H](Cc1ccc(F)cc1Br)c1cc(Br)ccc1Br 161433845 RGFYOWXYCQFXIK-OAHLLOKOSA-N 465.986 5.616 70 10 JKIE Cc1c(C(=O)O)c(C)c([B-](F)(F)F)c(C)c1N(C)C(=O)OCC1c2ccccc2-c2ccccc21 1887515875 HRRUPOMQNNAOIN-UHFFFAOYSA-N 482.287 5.750 70 10 JKIE Cc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc(OS(=O)(=O)F)cc1N=[N+]=[N-] 1887519253 UZTZKTNTIRQHJN-UHFFFAOYSA-N 482.493 5.569 70 10 JKIE Cc1c(CC(=O)O)cc(N(C)C(=O)OCC2c3ccccc3-c3ccccc32)cc1[B-](F)(F)F 1887520304 WKGXUMLAZITBCN-UHFFFAOYSA-N 468.260 5.062 70 10 JKIE Cc1ccc(NC(=O)N(CCCNC(=O)C(C)(C)CCl)c2ccc(Oc3ccccc3)cc2)cc1 34970512 CAZORONETQMSTJ-UHFFFAOYSA-N 494.035 6.597 70 10 JKIE CCN[C@@H](Cc1ccc(F)cc1Br)c1cc(Br)c(Br)s1 161425109 HZLQKKOMSZEIMC-LBPRGKRZSA-N 486.042 6.068 70 10 JKIE CC(C)(C)OC(=O)Nc1cc(Br)ccc1C(=O)N1CC[C@H]2C[C@]2([B-](F)(F)F)C1 2194133498 PSTDYRGIAUQFEL-VOJFVSQTSA-N 462.095 5.250 70 10 JKIE CCN[C@H](c1ccc(OC)cc1Br)c1cc(Br)ccc1Br 159852675 CLJPGKIUFDQCMK-MRXNPFEDSA-N 478.022 5.682 70 10 JKIE CCN[C@@H](c1cc(Cl)c(Br)s1)c1cc(Br)ccc1Br 159889234 XGJWPFCBVDMJBR-GFCCVEGCSA-N 488.470 6.388 70 10 JKIE Nc1cccc(C(=O)Nc2c(Br)cc(Br)cc2Br)c1Cl 160233233 JMGBUIYIAQGOSA-UHFFFAOYSA-N 483.385 5.462 70 10 JKIE CC(C)[C@H](C)N(Cc1ccccc1)C(=O)c1cc(Br)cc(S(=O)(=O)Cl)c1 2095895979 NYQBPMIVLOQDHQ-AWEZNQCLSA-N 458.805 5.064 70 10 JKIE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@H]2C[C@]2([B-](F)(F)F)C1 2018401083 FYKHGYSEWJEJAK-VPWGAPMNSA-N 485.335 5.390 70 10 JKIE COC(=O)c1ccc(NC(=O)NCCCOc2ccc(C(C)(C)C)cc2Br)cc1 217298649 OKOPKOQQNWYASN-UHFFFAOYSA-N 463.372 5.124 70 10 JKIE O=C(N/C=C/c1cccc(Br)c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 218056852 VBQZFTDRFWMBGM-CCEZHUSRSA-N 476.418 5.537 70 10 JKIE Cc1ccc(C(=O)N=C(C#N)C(Cl)=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 585660821 HJMFPROFTSPOEP-UHFFFAOYSA-N 480.935 5.463 70 10 JKIE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC[C@@H]([B-](F)(F)F)C2)cc1I 2133912349 HTGVXETWYDKZPN-GFCCVEGCSA-N 497.084 5.092 70 10 JKIE Cc1cc(Br)c(C(=O)N2CCC[C@H]([B-](F)(F)F)C2)cc1NC(=O)OC(C)(C)C 2190464139 ZEGXVWPWVKIOGI-LBPRGKRZSA-N 464.111 5.558 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)/C=C/C2CCCCC2)cc1 216671379 ICDMYDGACODOBH-SFQUDFHCSA-N 450.535 5.227 70 10 JKIE O=C(c1cc(Br)ccc1I)N1CCC[C@H]1c1cccs1 217487648 MHSQYHPGCXVAEJ-ZDUSSCGKSA-N 462.150 5.093 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)COc3c(C)ccc(C)c3C)cc2)cc1 216630207 AZKRLTFWCPUKIG-UHFFFAOYSA-N 490.556 5.095 70 10 JKIE Cc1c(CC(=O)O)c(C)c([B-](F)(F)F)c(C)c1N(C)C(=O)OCC1c2ccccc2-c2ccccc21 1887517850 MTGSWFSPYIJIEK-UHFFFAOYSA-N 496.314 5.679 70 10 JKIE CN[C@H](c1cc(F)c(Br)cc1F)c1cc(Br)ccc1Br 159871205 DJNFVPZHUJNEKQ-AWEZNQCLSA-N 469.949 5.561 70 10 JKIE Cn1cc(C(=O)c2cc(Br)c(Br)s2)cc1C(=O)C(Cl)(Cl)Cl 160867678 BBTSYTSKYFKGOL-UHFFFAOYSA-N 494.419 5.396 70 10 JKIE CN[C@@H](c1cc(Br)ccc1Br)c1csc2c(Br)cccc12 159891599 NOIHLHYQPHXRPY-HNNXBMFYSA-N 490.058 6.498 70 10 JKIE CCCOc1ccc([C@H](N)c2cc(Br)ccc2Br)cc1Br 159908318 FERKEDKWAGJNDJ-INIZCTEOSA-N 478.022 5.811 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)CCc3ccc(Cl)cc3)cc2)cc1 216635845 MOEVMUVCQMOWDY-UHFFFAOYSA-N 480.948 5.377 70 10 JKIE CC(C)N(Cc1ccccc1)C(=O)NCCCOc1ccc(C(C)(C)C)cc1Br 217298440 AEHRLIYASUVUCR-UHFFFAOYSA-N 461.444 6.136 70 10 JKIE COc1cc(Br)ccc1C(=O)c1cc(Br)c(C)cc1Br 160616105 HXBFUTARLXGDOG-UHFFFAOYSA-N 462.963 5.522 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)CCCOc3ccccc3C)cc2)cc1 216631400 UOCRPLQYGDYIJS-UHFFFAOYSA-N 490.556 5.258 70 10 JKIE CC(C)(C)c1ccc(OCCCNC(=O)Nc2cccc(Cl)c2Cl)c(Br)c1 217298427 PJOXOPAJDZTRJJ-UHFFFAOYSA-N 474.226 6.644 70 10 JKIE Cc1ccc2c(c1)[C@H](Nc1c(Br)cc(Br)cc1Br)CC2 160770712 HAUHAJKFAJULAL-OAHLLOKOSA-N 460.007 6.382 70 10 JKIE CC(C)(C)c1ccc(OCCCNC(=O)NCc2ccccc2Br)c(Br)c1 217298769 PYPIDCZVFZJYSA-UHFFFAOYSA-N 498.259 5.777 70 10 JKIE CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)Nc1ccccc1-c1csc(-c3ccccc3F)n1)C(=O)C2 218673958 DPFYWQMGNAHYEM-IVCQMTBJSA-N 484.618 5.753 70 10 JKIE CCOc1ccc([C@H](NC)c2cc(Br)ccc2Br)c(Br)c1 159886183 DYKJIPFNXZATFC-INIZCTEOSA-N 478.022 5.682 70 10 JKIE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@](C)([B-](F)(F)F)C1 2303107868 CAQAFWITPQOQSG-JYFHCDHNSA-N 487.351 5.780 70 10 JKIE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@@H]3C[C@@]3([B-](F)(F)F)C2)cc1Br 2194131494 BGCZWGIMBWRAGS-KZULUSFZSA-N 462.095 5.250 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)c3cccc(Cl)c3)c2)cc1 216676353 NPMNTBOXFNNDHK-UHFFFAOYSA-N 452.894 5.058 70 10 JKIE O=C(NCCCOc1ccc(Br)cc1Cl)Nc1ccc(Nc2ccccc2)cc1 217299028 KIJMDPQODSMDNL-UHFFFAOYSA-N 474.786 6.437 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)c3ccccc3C(F)(F)F)c2)cc1 216683418 ATGFQOCNYBNAMN-UHFFFAOYSA-N 486.446 5.423 70 10 JKIE CN[C@@H](c1cc(Br)ccc1Br)c1ccc(Br)cc1OC 160627245 NKYKSRRPFFJISA-OAHLLOKOSA-N 463.995 5.292 70 10 JKIE CCCc1ccc(OCC(=O)NCc2cccc(NC(=O)c3ccc(OC(=O)OCC)cc3)c2)cc1 216681037 GZTAFNRTJKNFEZ-UHFFFAOYSA-N 490.556 5.122 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)CCc3ccc(Cl)cc3)c2)cc1 216685859 MZYCYWKEWZNMJZ-UHFFFAOYSA-N 480.948 5.377 70 10 JKIE CC(C)(C)c1ccc(OCCCNC(=O)Nc2cc(Cl)ccc2O)c(Br)c1 217298556 NNOFSJUTCCSSKP-UHFFFAOYSA-N 455.780 5.696 70 10 JKIE Cc1nc2ccc(NC(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2nc1C 217301933 YTWOVIJFIPEQIR-UHFFFAOYSA-N 451.574 5.186 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)c3ccccc3Cl)cc2)cc1 216625080 UKNGQSSMGQCGHQ-UHFFFAOYSA-N 452.894 5.058 70 10 JKIE O=C(Nc1ccccc1-c1cn2ccsc2n1)[C@H]1CCCCN1c1ccc(-c2ccco2)nn1 218568951 XFMZPOYHXVHQEC-OAQYLSRUSA-N 470.558 5.110 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)/C=C/C3CCCCC3)c2)cc1 216695925 QNYUCNGVMIAQHE-LFIBNONCSA-N 450.535 5.227 70 10 JKIE O=C(NCCn1nc(-c2ccccn2)c2c1CCCC2)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 217495147 AJLSCSTZXAIDQY-UHFFFAOYSA-N 482.428 5.292 70 10 JKIE CCOC(=O)C(/N=N/c1ccc([N+](=O)[O-])cc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 103686668 RXRLRUXCEDXREB-QVIHXGFCSA-N 497.491 5.366 70 10 JKIE Cc1cc(NC(=O)NCCCOc2ccc(Br)cc2Cl)ccc1Br 217299151 FSQTXBKAGQNBCB-UHFFFAOYSA-N 476.596 5.764 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)CCc2ccccc2C)cc1 216666231 OIOBHJKWVYPPAN-UHFFFAOYSA-N 460.530 5.032 70 10 JKIE Cc1ccc2nc(-c3ccc(NC(=O)N[C@H]4CC(=O)N([C@@H](C)c5ccccc5)C4)cc3)sc2c1 217284748 LVPFUILRULZZPE-AVRDEDQJSA-N 470.598 5.755 70 10 JKIE O=C(c1cc(Br)cc(S(=O)(=O)Cl)c1)N(Cc1ccccc1)CC1CCCC1 2152152767 PXZPYXOVSQKGSY-UHFFFAOYSA-N 470.816 5.209 70 10 JKIE Cc1cc(Oc2cc(Br)cc(I)c2)ccc1S(=O)(=O)Cl 2364098895 UAZJEEIKJGWRKN-UHFFFAOYSA-N 487.540 5.082 70 10 JKIE CC(C)(C)OC(=O)Nc1c(Br)cc(Br)cc1C=CS(=O)(=O)Cl 1952263665 LUPSAAWRDXLMEZ-UHFFFAOYSA-N 475.586 5.098 70 10 JKIE Cc1ccc2nc(-c3ccc(NC(=O)N[C@@H]4CC(=O)N([C@H](C)c5ccccc5)C4)cc3)sc2c1 217284743 LVPFUILRULZZPE-XMSQKQJNSA-N 470.598 5.755 70 10 JKIE C[C@H](NC(=O)NCCCOc1ccc(C(C)(C)C)cc1Br)C12CC3CC(CC(C3)C1)C2 217298479 UGVOAHCMQSHNSO-BALBBAFXSA-N 491.514 6.420 70 10 JKIE Nc1cc(C[B-](F)(F)F)cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c1 1887510735 CWTGHHKHYPERPL-UHFFFAOYSA-N 480.319 5.269 70 10 JKIE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@](C)([B-](F)(F)F)C1 1902522412 QEYIFWPHWNZQJK-RDGATRHJSA-N 473.324 5.390 70 10 JKIE C[C@@H](Cc1cc(Br)cc(Br)c1NC(=O)OC(C)(C)C)S(=O)(=O)Cl 1952735277 LYJZZNQJXZHXBY-QMMMGPOBSA-N 491.629 5.058 70 10 JKIE CC(C)(C)OC(=O)Nc1cc(I)cc(C(=O)N2CC[C@](C)([B-](F)(F)F)C2)c1 2342486852 ZNBMLADIFXTOMB-KRWDZBQOSA-N 497.084 5.092 70 10 JKIE CCN[C@H](c1cc(C)c(Br)cc1C)c1cc(Br)ccc1Br 159870367 DQYIGPMULFPWFC-QGZVFWFLSA-N 476.050 6.290 70 10 JKIE COc1ccc([C@@H](O)c2cc(Br)ccc2Br)c(OC)c1Br 161058100 GIWHRDGWRWGOKV-CQSZACIVSA-N 480.978 5.073 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)c2cc(Cl)ccc2OC)cc1 216653477 ODBXRJIXCYHGGX-UHFFFAOYSA-N 482.920 5.066 70 10 JKIE CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)C(OS(=O)(=O)C(F)(F)F)=CC[C@H]32)C1 2042835297 MCIVSCZCJRGEJR-LQPCMESDSA-N 462.530 5.241 70 10 JKIE Fc1ccc(Cl)cc1CNc1c(Br)cc(Br)cc1Br 160676705 SBUSQSFPWOVZHQ-UHFFFAOYSA-N 472.377 6.379 70 10 JKIE CC(C)(C)CN(Cc1ccccc1)C(=O)c1cc(Br)cc(S(=O)(=O)Cl)c1 2095921580 YEHFZDPFIMOEID-UHFFFAOYSA-N 458.805 5.065 70 10 JKIE CCN[C@@H](Cc1ccc(Cl)cc1Cl)c1cc(Br)ccc1Br 160493021 LBJHQFNQSZQOLQ-INIZCTEOSA-N 452.017 6.412 70 10 JKIE O=S(=O)(Cl)c1cc(Br)cc(Cl)c1OCc1ccccc1Br 59080068 GOGSPUKJBDODOV-UHFFFAOYSA-N 474.985 5.372 70 10 JKIE C[C@@H](NC(=O)NCCCOc1ccc(C(C)(C)C)cc1Br)C12CC3CC(CC(C3)C1)C2 217298478 UGVOAHCMQSHNSO-ZFGQVMFLSA-N 491.514 6.420 70 10 JKIE CCOC(=O)c1ccccc1NC(=O)NCCCOc1ccc(C(C)(C)C)cc1Br 217298432 VJOLCESEGMSOHK-UHFFFAOYSA-N 477.399 5.514 70 10 JKIE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC([B-](F)(F)F)CC1 2248884779 AMXMREQQCVWEAL-DEOSSOPVSA-N 487.351 5.780 70 10 JKIE CCOc1ccc([C@H](O)c2cc(Br)ccc2Br)c(Br)c1 161051500 OIOBFMXBBDVTFB-HNNXBMFYSA-N 464.979 5.455 70 10 JKIE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC([B-](F)(F)F)CC1 2216950826 SQJZIQAVOPQFST-XDHUDOTRSA-N 487.351 5.780 70 10 JKIE CCCN[C@@H](c1cc(Br)ccc1Br)c1sc(C)cc1Br 159877481 ZRYQPBHAGWOWFA-AWEZNQCLSA-N 482.079 6.433 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 216681931 YHSTYDCVYCQNFI-UHFFFAOYSA-N 474.557 5.702 70 10 JKIE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@@](C)([B-](F)(F)F)C2)cc1Br 2342475242 PHHIMBBQSLBYNJ-QGZVFWFLSA-N 450.084 5.250 70 10 JKIE COC(=O)c1cc([B-](F)(F)F)cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c1C 1887519917 NBSCYIYUJDPYLM-UHFFFAOYSA-N 454.233 5.197 70 10 JKIE CCN[C@@H](Cc1ccc(Br)s1)c1cc(Br)ccc1Br 160758229 QYZJMXLDQALBQQ-ZDUSSCGKSA-N 468.052 5.929 70 10 JKIE Cc1ccc(N2C[C@@H](C(=O)Nc3ccccc3-c3csc(-c4ccccc4F)n3)CC2=O)cc1C 218606125 XHPUOWHGTUFLKY-IBGZPJMESA-N 485.584 6.225 70 10 JKIE N[C@H](c1ccc2cc(Br)ccc2c1)c1cc(Br)c(Br)s1 159581191 HFWGGEHRBSAORS-CQSZACIVSA-N 476.031 6.237 70 10 JKIE Cc1cc(Br)cc(C)c1NC(=O)c1cc(Br)ccc1Br 159980040 JSXLESQCUTXGEV-UHFFFAOYSA-N 461.979 5.843 70 10 JKIE Cc1ccc(C(=O)Nc2c(Br)cc(C)cc2Br)c(Br)c1 161075319 PZGKUZSOYCRXCT-UHFFFAOYSA-N 461.979 5.843 70 10 JKIE Cc1cccc(C)c1OCCCNC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 217298088 HYTXSHNVJMEIDW-UHFFFAOYSA-N 457.618 5.189 70 10 JKIE CC(C)(C)c1ccc(OCCCNC(=O)Nc2ccc(C(F)(F)F)cc2)c(Br)c1 217298753 CETQSVVEUKAWDS-UHFFFAOYSA-N 473.333 6.356 70 10 JKIE CCOc1ccc(Br)cc1[C@H](NC)c1cc(Br)ccc1Br 159827192 SVSPPHUOMAJJPI-MRXNPFEDSA-N 478.022 5.682 70 10 JKIE CC(C)(C)c1ccc(OCCCNC(=O)Nc2ccc(N)cc2Cl)c(Br)c1 217298532 BZWFWDCLIVIGIY-UHFFFAOYSA-N 454.796 5.573 70 10 JKIE C[C@H](c1ccccc1)N1C[C@H](NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1=O 217284529 LYCTUWZJJQAASJ-SJKOYZFVSA-N 459.390 5.208 70 10 JKIE CC(C)(C)c1ccc(OCCCNC(=O)Nc2ccc(Cl)cc2Cl)c(Br)c1 217298437 ZKQVPUQSCDWVSU-UHFFFAOYSA-N 474.226 6.644 70 10 JKIE O=C(NCCc1ccc(Br)cc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 217553821 GLONQSMXDSXSOS-UHFFFAOYSA-N 455.196 5.851 70 10 JKIE O=C(NCCc1ccccc1Br)N1CCN(C(c2ccccc2)c2ccccc2)CC1 217378921 LGHAQGQMBBEDGL-UHFFFAOYSA-N 478.434 5.108 70 10 JKIE c1ccc(N2CCN(Cc3ccc4cc(OC5CCC6(CCCC6)CC5)ccc4c3)CC2)nc1 218544892 HCLYCCLPMBEVFH-UHFFFAOYSA-N 455.646 6.439 70 10 JKIE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@H]2C[C@@]2([B-](F)(F)F)C1 2073758771 HFTDQQNVTFSCHO-CIXYLHIASA-N 499.362 5.780 70 10 JKIE CC(C)(C)c1ccc(OCCCNC(=O)N2CCN(c3ccc(F)cc3)CC2)c(Br)c1 217298520 BSWUSMPYJRIUAR-UHFFFAOYSA-N 492.433 5.186 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)c3ccc(Cl)c(Cl)c3)c2)cc1 216673212 JGJBHFOJRWHANB-UHFFFAOYSA-N 487.339 5.711 70 10 JKIE CN(CCN(Cc1ccccc1)c1ncc(C(F)(F)F)cc1[B-](F)(F)F)Cc1ccccc1 2052598115 WCHBBXWUYZDCSZ-UHFFFAOYSA-N 466.258 5.293 70 10 JKIE CSc1cccc(NS(=O)(=O)c2cc(Br)c(C)cc2Br)c1 159531608 IGYRDQDZKQLNJU-UHFFFAOYSA-N 451.205 5.043 70 10 JKIE Nc1cccc(CCC(=O)Nc2c(Br)cc(Br)cc2Br)c1 160903590 WOPBJGXAYPNZTA-UHFFFAOYSA-N 476.994 5.128 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)c3ccccc3Br)c2)cc1 216675085 NUCMJWXGVXOQDC-UHFFFAOYSA-N 497.345 5.167 70 10 JKIE Cc1ccc2nc(-c3ccc(NC(=O)NCOc4cc(C)c(Cl)c(C)c4)cc3)sc2c1 217290712 ZQKVWIMAYNWZJJ-UHFFFAOYSA-N 451.979 6.700 70 10 JKIE CN[C@@H](Cc1ccc(F)cc1Br)c1cc(Br)c(Br)s1 161392259 RVSMGCVIBFBLLI-NSHDSACASA-N 472.015 5.678 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)/C=C(\C)C3CCCC3)cc2)cc1 216646836 DUQNPIKHYXCRIU-FBMGVBCBSA-N 450.535 5.227 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)c3cccc(Br)c3)c2)cc1 216676574 OGFUVPKTKUPRAC-UHFFFAOYSA-N 497.345 5.167 70 10 JKIE CC(C)(C)c1ccc(OCCCNC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 217299270 FWTJRMGKGZYJHI-UHFFFAOYSA-N 485.672 5.870 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)COc3c(C)ccc(C)c3C)cc2)cc1 216630280 UFEZMQKECZLUNG-UHFFFAOYSA-N 490.556 5.095 70 10 JKIE CCCN[C@H](c1cc(Br)sc1Br)c1c(F)cccc1Br 160829040 MKNAHWPOTQDTCA-CYBMUJFWSA-N 486.042 6.264 70 10 JKIE COc1ccccc1CCNC(=O)NCCCOc1ccc(C(C)(C)C)cc1Br 217298777 LGTZCADMBBFJII-UHFFFAOYSA-N 463.416 5.066 70 10 JKIE COc1c(C)cc(Br)c(C)c1[C@@H](N)c1cc(Br)ccc1Br 159903482 XMFSYCWSZQDCNH-HNNXBMFYSA-N 478.022 5.648 70 10 JKIE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@H]2C[C@@]2([B-](F)(F)F)C1 2243929348 RXNBSSIBYAPMHN-PUAOIOHZSA-N 471.308 5.144 70 10 JKIE O=C(CCS(=O)(=O)c1ccccc1)Nc1ccccc1-c1csc(-c2ccccc2F)n1 218609134 BZXAAVRGFLKTMU-UHFFFAOYSA-N 466.559 5.419 70 10 JKIE O=C(NCCCOc1ccc(Br)cc1Cl)Nc1ccc(Cl)c(Cl)c1 217298828 SCOIXYWGBKZYBA-UHFFFAOYSA-N 452.563 6.000 70 10 JKIE COc1ccc(Cl)cc1NC(=O)NCCCOc1ccc(C(C)(C)C)cc1Br 217298434 LZRVMZDKHFTBGH-UHFFFAOYSA-N 469.807 5.999 70 10 JKIE CCCN[C@@H](Cc1ccc(F)cc1Br)c1ccc(I)cc1 161420426 WBNBNOHJKRHIRD-KRWDZBQOSA-N 462.144 5.476 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)/C=C/c3ccccc3Cl)c2)cc1 216693310 IPTVOEIJRQCTNK-NTCAYCPXSA-N 478.932 5.457 70 10 JKIE CC(C)(C)OC(=O)Nc1cc(C(=O)N2CC[C@H]3C[C@@]3([B-](F)(F)F)C2)ccc1Br 2194135045 ZZXFBDGLHVOGGS-KPZWWZAWSA-N 462.095 5.250 70 10 JKIE COC(=O)C(C(=O)c1ccc(C(C)(C)C)cc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 2325712301 VPTBGPYBJNDJFT-UHFFFAOYSA-N 494.571 5.506 70 10 JKIE N[C@H](c1cc(Br)ccc1Br)c1ccc(Br)c2ccccc12 159882546 CGXABROYFBJDNA-KRWDZBQOSA-N 470.002 6.175 70 10 JKIE C[C@@H](c1ccccc1)N1C[C@@H](NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1=O 217284534 LYCTUWZJJQAASJ-SJCJKPOMSA-N 459.390 5.208 70 10 JKIE CCOC(=O)c1ccc(NC(=O)NCCCOc2ccc(C(C)(C)C)cc2Br)cc1 217298424 HSAHKIRJJDEPJO-UHFFFAOYSA-N 477.399 5.514 70 10 JKIE O=C(NCCCOc1ccc(Br)cc1Cl)NCCc1ccc(Br)cc1 217299199 LAKMFCFRZSFRNH-UHFFFAOYSA-N 490.623 5.176 70 10 JKIE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC([B-](F)(F)F)CC1 2212486985 RNBBEVMQOLWMAM-HSZRJFAPSA-N 473.324 5.390 70 10 JKIE Cc1cccc(COc2c(Br)cc(S(=O)(=O)Cl)cc2Br)c1 59093647 PRQJUQCJUIPANZ-UHFFFAOYSA-N 454.567 5.027 70 10 JKIE COc1cc(C)c(Br)cc1[C@H](N)c1cc(Br)ccc1Br 159879344 BHGXJZFTFBYEFU-OAHLLOKOSA-N 463.995 5.339 70 10 JKIE Cc1c(NC(=O)OCC2c3ccccc3-c3ccccc32)cc(C(=O)OC(C)(C)C)cc1[B-](F)(F)F 1887521814 ZCPLORDUYWGOHT-UHFFFAOYSA-N 496.314 6.366 70 10 JKIE COc1cc(C)c(Br)cc1[C@@H](N)c1cc(Br)ccc1Br 159879486 BHGXJZFTFBYEFU-HNNXBMFYSA-N 463.995 5.339 70 10 JKIE CCCN[C@@H](c1cc(Br)sc1Br)c1c(F)cccc1Br 160828911 MKNAHWPOTQDTCA-ZDUSSCGKSA-N 486.042 6.264 70 10 JKIE COC(=O)c1cccc(NC(=O)NCCCOc2ccc(C(C)(C)C)cc2Br)c1 217298764 FSMPTFUZXNFGIX-UHFFFAOYSA-N 463.372 5.124 70 10 JKIE Cc1ccc2c(c1)[C@@H](Nc1c(Br)cc(Br)cc1Br)CC2 160770843 HAUHAJKFAJULAL-HNNXBMFYSA-N 460.007 6.382 70 10 JKIE Cc1cc(Br)c(S(=O)(=O)Nc2c(Cl)cccc2Cl)cc1Br 159569038 ULPQNKWMHIILTJ-UHFFFAOYSA-N 474.001 5.628 70 10 JKIE CC(C)(C)c1ccc(OCCCNC(=O)NCc2cccc(Br)c2)c(Br)c1 217298774 RCNKVCMJAUKHTC-UHFFFAOYSA-N 498.259 5.777 70 10 JKIE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@](C)([B-](F)(F)F)C1 2303107953 CNPGTCKCUXNCCS-UIIQVKDUSA-N 487.351 5.780 70 10 JKIE CCOc1cc(Cl)c([C@H](N)c2cc(Br)ccc2Br)cc1Cl 159902278 SFZXIGBVIKQSHR-OAHLLOKOSA-N 453.989 5.965 70 10 JKIE COc1c(Br)cc(Cl)cc1NC(=O)c1cc(Br)ccc1Br 160319368 FDGRDXXDZVLUAG-UHFFFAOYSA-N 498.396 5.888 70 10 JKIE CC(=O)Nc1cccc(NC(=O)NCCCOc2ccc(C(C)(C)C)cc2Br)c1 217298629 KMHLFRUZRGLCRG-UHFFFAOYSA-N 462.388 5.296 70 10 JKIE O=S(=O)(Cl)c1cc(Cl)c(Oc2cccc(I)c2)cc1Cl 2234467299 IYMALMVIQJKUIX-UHFFFAOYSA-N 463.507 5.318 70 10 JKIE CCCN[C@H](c1ccc(F)c(Br)c1)c1cc(Br)ccc1Br 159884609 JZHAFKBXBBPKCP-MRXNPFEDSA-N 480.013 6.202 70 10 JKIE CCCOc1ccc([C@@H](N)c2cc(Br)ccc2Br)cc1Br 159908430 FERKEDKWAGJNDJ-MRXNPFEDSA-N 478.022 5.811 70 10 JKIE CCCN[C@H](c1cc(C)ccc1Br)c1cc(Br)ccc1Br 161452409 YBPAJAVSBZGJBA-QGZVFWFLSA-N 476.050 6.372 70 10 JKIE CCCN[C@H](c1cc(Br)c(Br)s1)c1ccc(Br)cc1OC 160655346 QUKHMRHPALZPQD-AWEZNQCLSA-N 498.078 6.133 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)CCCOc2ccc(C)cc2)cc1 216656323 PGCIKZDMBJLETE-UHFFFAOYSA-N 490.556 5.258 70 10 JKIE CCCN[C@@H](Cc1cc(F)ccc1Br)c1ccccc1I 161483944 UUKWLTSPKCOLBE-KRWDZBQOSA-N 462.144 5.476 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 216681979 DXDXIGBOACCQPX-UHFFFAOYSA-N 474.557 5.702 70 10 JKIE CCOc1ccc([C@@H](NC)c2cc(Br)ccc2Br)c(Br)c1 159886324 DYKJIPFNXZATFC-MRXNPFEDSA-N 478.022 5.682 70 10 JKIE Cc1ccc2nc(-c3ccc(NC(=O)Nc4ccccc4I)cc3)sc2c1 217273066 PESBQXAXWKELDF-UHFFFAOYSA-N 485.350 6.520 70 10 JKIE C[C@@H](c1ccccc1)N1C[C@H](NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1=O 217284531 LYCTUWZJJQAASJ-YVEFUNNKSA-N 459.390 5.208 70 10 JKIE C[C@H]1CN(C)[C@@H](C)C[C@@H]1Nc1c(Br)cc(Br)cc1Br 217944816 FLVPRSBNWWSPBS-RVBZMBCESA-N 455.032 5.115 70 10 JKIE COC(=O)Cc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc([B-](F)(F)F)c1C 1887520318 YGIXPOYSXUKMKP-UHFFFAOYSA-N 468.260 5.126 70 10 JKIE Cc1cc(C)c(N[C@H](C)c2ccc(Br)cc2Br)c(Br)c1 159754090 LXGFZNSVQJIERJ-LLVKDONJSA-N 462.023 6.764 70 10 JKIE CCOc1ccc([C@H](N)c2cc(Br)ccc2Br)cc1Br 159907496 LNAYMUBMXBWYSL-HNNXBMFYSA-N 463.995 5.421 70 10 JKIE CCc1ccc([C@@H](C)NC(=O)NCCCOc2ccc(C(C)(C)C)cc2Br)cc1 217298501 RJQYBIOAKLNNSE-QGZVFWFLSA-N 461.444 6.138 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)c2ccc(Cl)cc2)cc1 216649784 MPTPKAHGUPNYKH-UHFFFAOYSA-N 452.894 5.058 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)[C@H](C)Oc3ccc(Cl)cc3)c2)cc1 216681128 AGCJXEWNICLBSC-KRWDZBQOSA-N 496.947 5.211 70 10 JKIE CC(C)(C)OC(=O)Nc1c(Br)cc(Br)cc1C(C)(C)S(=O)(=O)Cl 1952735577 PAXYUQVVVVYBJB-UHFFFAOYSA-N 491.629 5.362 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1 216638074 RAERHZZVHDRGGI-UHFFFAOYSA-N 476.573 5.307 70 10 JKIE CCCN[C@H](c1cc(Br)c(Br)s1)c1cc(C)ccc1Br 161471577 LIGKZOYBACFTQC-AWEZNQCLSA-N 482.079 6.433 70 10 JKIE N[C@@H](c1cc(F)c(Br)cc1F)c1cc(Br)ccc1Br 159870792 XOAVAPMJAYEDFT-CYBMUJFWSA-N 455.922 5.300 70 10 JKIE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@@H]([B-](F)(F)F)C1 2248892230 WIRTUTWLESPPJR-HOYKHHGWSA-N 487.351 5.780 70 10 JKIE Cc1cc(Br)c(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1Br 159550475 ZTHUJVWECGMXQP-UHFFFAOYSA-N 474.001 5.628 70 10 JKIE COc1cc(Br)cc(NC(=O)c2cc(Br)ccc2Br)c1 160639756 HOTPZGVXCLGCLX-UHFFFAOYSA-N 463.951 5.235 70 10 JKIE CCN[C@@H](c1ccc(C)cc1Br)c1cc(Br)c(C)cc1Br 161049835 XMPWSIBJUGKAMC-KRWDZBQOSA-N 476.050 6.290 70 10 JKIE CCCCCCCCCCCCCCCCCC[Si@](C)(Cl)CCCc1ccccc1 1857524513 OLYMXDLPDDXGGI-PMERELPUSA-N 451.255 10.695 70 10 JKIE CC(C)(C)OC(=O)Nc1cc(Br)cc(C(=O)N2CC[C@](C)([B-](F)(F)F)C2)c1 2342471685 BICGEFHJELVUST-KRWDZBQOSA-N 450.084 5.250 70 10 JKIE CN(Cc1cccc(Cl)c1Cl)C(=O)c1cc(Br)ccc1Br 160367439 GAWDZIRYUHHRGZ-UHFFFAOYSA-N 451.973 5.791 70 10 JKIE CCN[C@H](c1cc(C)ccc1Br)c1cc(Br)ccc1Br 161445622 NKDYZUKWROTYOS-MRXNPFEDSA-N 462.023 5.981 70 10 JKIE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@H]2C[C@]2([B-](F)(F)F)C1 2073758773 HFTDQQNVTFSCHO-WFIPOVAOSA-N 499.362 5.780 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)/C=C/c3ccccc3C)c2)cc1 216692985 GOVBXGHQQTVTQO-DTQAZKPQSA-N 458.514 5.112 70 10 JKIE Cc1cccc(N2CCN(C(=O)NCCCOc3ccc(Br)cc3Cl)CC2)c1C 217299136 CTLLMBNDMAOQGB-UHFFFAOYSA-N 480.834 5.020 70 10 JKIE O=C(NCCc1ccc(Br)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 217537631 BKLRHAPHBUZVEC-UHFFFAOYSA-N 478.434 5.108 70 10 JKIE O=S(=O)(Cl)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(Br)cc2)cc1 585671552 WSKZOCDGQUGRMW-UHFFFAOYSA-N 465.678 5.248 70 10 JKIE CCOc1ccc([C@@H](N)c2cc(Br)ccc2Br)c(Br)c1 159885911 VDHPNMRVJQEJOS-OAHLLOKOSA-N 463.995 5.421 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)CCc2ccc(C)cc2)cc1 216661179 HHCTWFOHVLUSHR-UHFFFAOYSA-N 460.530 5.032 70 10 JKIE CC(C)(C)OC(=O)Nc1ccc(Br)c(C(=O)N2CC[C@@](C)([B-](F)(F)F)C2)c1 2342471261 AJIVDLBBPVHXEC-QGZVFWFLSA-N 450.084 5.250 70 10 JKIE CS/C(=N\c1ccccc1)C(C#N)=P(c1ccccc1)(c1ccccc1)c1ccccc1 109410670 LTZVTZAAONGEAU-HYOGKJQXSA-N 450.547 5.770 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)CCc3ccc(C)cc3)cc2)cc1 216635381 OFDOMPOHMFSPEZ-UHFFFAOYSA-N 460.530 5.032 70 10 JKIE CC(C)(C)OC(=O)Nc1ccc(Br)c(C(=O)N2CC[C@@H]3C[C@]3([B-](F)(F)F)C2)c1 2194131721 DHTYARGWAMYXBW-ZMZPIMSZSA-N 462.095 5.250 70 10 JKIE NC[C@@H](c1ccc(Cl)cc1Cl)[C@@H](O)c1cc(Br)ccc1Br 161268608 WVIPMHNCMGQJNB-WFASDCNBSA-N 453.989 5.294 70 10 JKIE O=C(Nc1ccccc1-c1cn2ccsc2n1)[C@@H]1CCCCN1c1ccc(-c2ccco2)nn1 218568865 XFMZPOYHXVHQEC-NRFANRHFSA-N 470.558 5.110 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)/C=C/C3CCCCC3)cc2)cc1 216646203 FUGYCXXFWDREIJ-LICLKQGHSA-N 450.535 5.227 70 10 JKIE CCCN[C@H](Cc1ccc(F)cc1Cl)c1cc(Br)c(Br)s1 160533859 XWHMJWKLLVMUCA-CYBMUJFWSA-N 455.618 6.349 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)/C=C/c2ccc(C)cc2)cc1 216669778 YSSXHSXYSRJYJC-SFQUDFHCSA-N 458.514 5.112 70 10 JKIE COc1cccc(N2C[C@@H](C(=O)Nc3ccccc3-c3csc(-c4ccccc4F)n3)CC2=O)c1 218608382 PYQLEPQSEGKOJT-KRWDZBQOSA-N 487.556 5.616 70 10 JKIE CCOc1ccc([C@H](N)c2cc(Br)ccc2Br)c(Br)c1 159885773 VDHPNMRVJQEJOS-HNNXBMFYSA-N 463.995 5.421 70 10 JKIE CCOc1cc(NC(=O)Nc2ccc(I)cc2C)cc(OCC)c1OCC 217274592 LCQWGLOTABMDFB-UHFFFAOYSA-N 484.334 5.440 70 10 JKIE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@H]2C[C@@]2([B-](F)(F)F)C1 2073758772 HFTDQQNVTFSCHO-KNNXNEFSSA-N 499.362 5.780 70 10 JKIE COc1ccc(NC(=O)c2cc(Br)ccc2Br)cc1Br 160590473 AYDCSCXNFCANFL-UHFFFAOYSA-N 463.951 5.235 70 10 JKIE COc1ccc(CCNC(=O)NCCCOc2ccc(C(C)(C)C)cc2Br)cc1 217298466 WGDJSOVAVPFFSO-UHFFFAOYSA-N 463.416 5.066 70 10 JKIE Cc1cc(Br)c(S(=O)(=O)Nc2c(C)cccc2Cl)cc1Br 159675993 MQIMPUHNOXNPFO-UHFFFAOYSA-N 453.583 5.283 70 10 JKIE CCOc1cc(Cl)c([C@@H](O)c2cc(Br)ccc2Br)cc1Cl 161054883 IMZNLQCCRVSFQL-HNNXBMFYSA-N 454.973 5.999 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)CC34CC5CC(CC(C5)C3)C4)c2)cc1 216676716 KTDZRVCUZXBIHS-UHFFFAOYSA-N 490.600 5.697 70 10 JKIE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H]([B-](F)(F)F)C1 2248875716 WIRTUTWLESPPJR-MHECFPHRSA-N 487.351 5.780 70 10 JKIE CN[C@@H](c1cc(Br)ccc1Br)c1cc(Br)c(C)cc1OC 159879918 IRPURQJCIKJTCD-INIZCTEOSA-N 478.022 5.600 70 10 JKIE C[C@H](c1ccccc1)N1C[C@@H](NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1=O 217284533 LYCTUWZJJQAASJ-PXAZEXFGSA-N 459.390 5.208 70 10 JKIE CCCN[C@H](c1cc(Br)ccc1Br)c1sc(C)cc1Br 159877573 ZRYQPBHAGWOWFA-CQSZACIVSA-N 482.079 6.433 70 10 JKIE CCN[C@H](Cc1cc(Br)ccc1F)c1csc(I)c1 160336178 UJBYJWZYEYPXPM-CYBMUJFWSA-N 454.146 5.148 70 10 JKIE CN[C@H](Cc1cc(Br)ccc1F)c1cc(Br)ccc1Br 160422194 UFRJXXRVJMKCMR-OAHLLOKOSA-N 465.986 5.616 70 10 JKIE CCN[C@H](c1ccc(Br)cc1OC)c1cc(Br)sc1Br 160636931 KIXFNEPACWIBPN-CYBMUJFWSA-N 484.051 5.743 70 10 JKIE CCCN[C@@H](Cc1ccc(F)cc1Br)c1csc(I)c1 161366585 LZWWIDLXIHYURG-AWEZNQCLSA-N 468.173 5.538 70 10 JKIE CCCN[C@H](Cc1ccc(Br)s1)c1ccccc1I 160666282 PQSKGXPMDVCTTC-CQSZACIVSA-N 450.183 5.399 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)c3c(F)cccc3Cl)cc2)cc1 216638464 LJNFVMLYQWRSBX-UHFFFAOYSA-N 470.884 5.197 70 10 JKIE CC(C)c1ccccc1O[C@@H](C)NC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 217291847 IJJMOUPEJKMBMQ-QHCPKHFHSA-N 457.618 5.652 70 10 JKIE CC(C)(C)OC(=O)Nc1ccc(Br)c(C(=O)N2CCC[C@H]([B-](F)(F)F)C2)c1 2133911732 CBIWXFCTIOCARZ-NSHDSACASA-N 450.084 5.250 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3)cc2)cc1 216630024 IICCNKFSALMSML-KRWDZBQOSA-N 496.947 5.211 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 216663678 LCJOSIUXYYDTNS-UHFFFAOYSA-N 476.573 5.307 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)c2ccc(-n3cccc3)cc2)cc1 216658202 KTKZLTVSECCXCP-UHFFFAOYSA-N 483.524 5.195 70 10 JKIE O=C(NCCCOc1ccc(Br)cc1Cl)N(Cc1ccccc1)c1ccccc1 217299062 LBONAVQYNYABDM-UHFFFAOYSA-N 473.798 6.288 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)/C=C/c3cccc(C)c3)c2)cc1 216693561 PSHSNSRRMCMQCA-XNTDXEJSSA-N 458.514 5.112 70 10 JKIE O=C(NCc1cccc(Br)c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 217314967 REWRGRKYBNFXRV-UHFFFAOYSA-N 464.407 5.066 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)c3ccc(-n4cccc4)cc3)cc2)cc1 216632755 HWXKVGZDEDUXST-UHFFFAOYSA-N 483.524 5.195 70 10 JKIE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC([B-](F)(F)F)CC1 2216950823 SQJZIQAVOPQFST-BXKMTCNYSA-N 487.351 5.780 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)/C=C/c3cccc(C)c3)cc2)cc1 216643734 VPKGOYIYWDWGDV-CXUHLZMHSA-N 458.514 5.112 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)c2ccccc2Br)cc1 216649973 GSUCFSHQLLPICU-UHFFFAOYSA-N 497.345 5.167 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)CCCOc2ccc(C)cc2)cc1 216656349 SWGLMYLXRNALMT-UHFFFAOYSA-N 490.556 5.258 70 10 JKIE CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1cc(C(=O)OC(C)(C)C)cc([B-](F)(F)F)c1 1887511829 BWOJJARLKXSGEC-UHFFFAOYSA-N 496.314 6.082 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)/C=C/c2cccc(Cl)c2)cc1 216669506 DUCANCUJLKQHPS-XNTDXEJSSA-N 478.932 5.457 70 10 JKIE C[C@@H](NCc1cc(Br)c(O)c(Br)c1)c1ccccc1Br 218398070 VCAXVXYCAYHWDH-SECBINFHSA-N 463.995 5.531 70 10 JKIE O=C(c1cc(Br)cc(S(=O)(=O)Cl)c1)N(Cc1ccccc1)C1CCCCC1 2152242197 FCZIJPYCPUWGTF-UHFFFAOYSA-N 470.816 5.352 70 10 JKIE CC(C)(C)OC(=O)Nc1cc(Br)cc(C(=O)N2CCC([B-](F)(F)F)CC2)c1 2231043069 VMUFOFGTXRFCNC-UHFFFAOYSA-N 450.084 5.250 70 10 JKIE O=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc2c(c1)[nH]c1ccccc12 196343601 OJOOBJRKVROACQ-UHFFFAOYSA-N 469.524 6.300 70 10 JKIE Cc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)c(C)c([B-](F)(F)F)c(C)c1N=[N+]=[N-] 1887516008 ZGYWYKHYRNQSFH-UHFFFAOYSA-N 479.291 6.647 70 10 JKIE C[Si](C)(C)C#Cc1cc(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc([B-](F)(F)F)c1 1887561528 KJWBSHFCZZJZIP-UHFFFAOYSA-N 492.402 6.009 70 10 JKIE O=C(OCC1c2ccccc2-c2ccccc21)N1CCN(Cc2cc(S)cc([B-](F)(F)F)c2)CC1 1887511291 UQXDCAKVGGGRPL-UHFFFAOYSA-N 497.371 5.096 70 10 JKIE Brc1cc(Br)c(N[C@@H]2C[C@@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)c(Br)c1 218097686 VZTSUARJDHETSR-JJLMSLMHSA-N 464.039 6.211 70 10 JKIE O=C(NCCCC(=O)N1CC[C@@H]2C[C@@]2([B-](F)(F)F)C1)OCC1c2ccccc2-c2ccccc21 2243904727 GCPVHBVOUZDGKB-CRICUBBOSA-N 471.308 5.145 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)COc2c(C)ccc(C)c2C)cc1 216655923 GYVMGCPNVDBOQC-UHFFFAOYSA-N 490.556 5.095 70 10 JKIE O=C(Nc1ccccc1-c1cn2ccsc2n1)[C@@H]1CCCCN1c1ccc(-c2cccs2)nn1 218569070 ABKDXPMIKLTXOL-NRFANRHFSA-N 486.626 5.579 70 10 JKIE N[C@H](c1ccc2cc(Br)ccc2c1)c1cc(Br)ccc1Br 159563870 HKLHVHWPAZONQY-QGZVFWFLSA-N 470.002 6.175 70 10 JKIE COc1ccc([C@H](C)NC(=O)NCCCOc2ccc(C(C)(C)C)cc2Br)cc1 217298498 GJSWNYAODRVENC-INIZCTEOSA-N 463.416 5.585 70 10 JKIE CC(C)(C)OC(=O)Nc1cc(Br)ccc1C(=O)N1CC[C@H]2C[C@@]2([B-](F)(F)F)C1 2194133497 PSTDYRGIAUQFEL-BBATYDOGSA-N 462.095 5.250 70 10 JKIE CCOc1cc(NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(OCC)c1OCC 217274988 LJFVVVMYPDJMTI-UHFFFAOYSA-N 480.405 6.564 70 10 JKIE CCN[C@@H](Cc1ccc(F)cc1Br)c1cc(Br)ccc1Br 161387504 SPIMAMYIIYPPBZ-INIZCTEOSA-N 480.013 6.007 70 10 JKIE CC[C@@H](NC(=O)c1cc(Br)ccc1Br)c1ccc(Br)cc1 160321637 HIUFIAZTPGLQIC-OAHLLOKOSA-N 476.006 5.855 70 10 JKIE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@H]2C[C@@]2([B-](F)(F)F)C1 2018401085 FYKHGYSEWJEJAK-YSBYIQCSSA-N 485.335 5.390 70 10 JKIE COc1ccc(C(=O)Nc2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2)cc1OC 216897698 PKAOMZUVYKKMHN-UHFFFAOYSA-N 466.537 5.727 70 10 JKIE CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1-c1cn2ccsc2n1 218649655 AKJUOCAKCZAPLA-UHFFFAOYSA-N 478.393 5.025 70 10 JKIE Cc1ccc2nc(-c3ccc(NC(=O)NCCCOc4ccc(C(C)(C)C)cc4)cc3)sc2c1 217299533 MLIOZLFALXOCIX-UHFFFAOYSA-N 473.642 7.160 70 10 JKIE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@](C)([B-](F)(F)F)C1 2303107869 CAQAFWITPQOQSG-OZXSUGGESA-N 487.351 5.780 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)cc1 216633282 WZWGCISFBRTLBJ-UHFFFAOYSA-N 486.446 5.423 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)/C=C/C2CCCCC2)cc1 216671439 LABRXFLKGQRVEL-SFQUDFHCSA-N 450.535 5.227 70 10 JKIE CC(C)(Br)C(=O)OCCCCCCCCCCC[Si](Cl)(Cl)Cl 197320940 BHRWEULSLLKUOC-UHFFFAOYSA-N 454.736 6.869 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)c3cccc4ccccc34)c2)cc1 216681817 KDUCIWNSTYHTTP-UHFFFAOYSA-N 468.509 5.557 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)c3cc(Cl)ccc3Cl)c2)cc1 216682638 WTKWAQCHFDLYJR-UHFFFAOYSA-N 487.339 5.711 70 10 JKIE COc1c(Br)cc(Br)cc1CNc1c(C)cc(C)cc1Br 159677217 OOMCWRXQEQBPOT-UHFFFAOYSA-N 478.022 6.212 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)c3cc(Cl)ccc3Cl)cc2)cc1 216632552 RLHQHRQDEVXGER-UHFFFAOYSA-N 487.339 5.711 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)/C=C(\C)C3CCCC3)cc2)cc1 216646768 XLGYVIUEFLMPIV-FBMGVBCBSA-N 450.535 5.227 70 10 JKIE CCOc1ccc(CCNC(=O)Nc2cc(OCC)c(OCC)c(OCC)c2)cc1OCC 217274966 IDGBUEFLMNFPEY-UHFFFAOYSA-N 460.571 5.044 70 10 JKIE Cc1cc(Br)ccc1NC(=O)NCCCOc1ccc(C(C)(C)C)cc1Br 217298737 FUFWMBSDTWXPNZ-UHFFFAOYSA-N 498.259 6.408 70 10 JKIE O=C(NCCCOc1ccc(Br)cc1Cl)Nc1ccc(Br)cc1 217298812 CDWDJWPOUUZVES-UHFFFAOYSA-N 462.569 5.456 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)/C=C/c3ccc(Cl)cc3)c2)cc1 216694668 SLOMOGZMBLQPDT-OVCLIPMQSA-N 478.932 5.457 70 10 JKIE CC(C)(C)OC(=O)Nc1cc(Br)cc(C(=O)N2CC[C@@H]3C[C@]3([B-](F)(F)F)C2)c1 2194131792 FEONULFUQGLGNZ-XIKOKIGWSA-N 462.095 5.250 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)CCC2CCCCC2)cc1 216659570 KZQKZRLVNIIMOV-UHFFFAOYSA-N 452.551 5.451 70 10 JKIE O=C(OCC1c2ccccc2-c2ccccc21)N1CCN(c2cc(S)cc(C[B-](F)(F)F)c2)CC1 1887506124 MXPQNKHEXBJRGE-UHFFFAOYSA-N 497.371 5.976 70 10 JKIE N[C@@H](c1cc(Br)ccc1Br)c1csc2c(Br)cccc12 159891460 CDCXFEBCKNIDQA-AWEZNQCLSA-N 476.031 6.237 70 10 JKIE COc1c(C)cc(Br)c(C)c1[C@H](N)c1cc(Br)ccc1Br 159903346 XMFSYCWSZQDCNH-OAHLLOKOSA-N 478.022 5.648 70 10 JKIE C[C@@H](NC(=O)NCCCOc1ccc(Br)cc1Cl)c1ccc2c(c1)CCCC2 217298916 OZWUUGNYNJYISJ-OAHLLOKOSA-N 465.819 5.811 70 10 JKIE C[Si](C)(C)c1sc(-c2ccc(S(=O)(=O)Cl)cc2)nc1-c1ccc(C(F)(F)F)cc1 725414183 SOSAXWCLMNKJRA-UHFFFAOYSA-N 476.017 5.969 70 10 JKIE CN[C@H](Cc1ccc(I)cc1)c1ccc(Cl)c(Br)c1 160857793 ZNALVCLOGDMYAD-OAHLLOKOSA-N 450.545 5.210 70 10 JKIE Cc1ccc2nc(-c3ccc(NC(=O)N/C=C/c4cccc(Br)c4)cc3)sc2c1 218083402 TYQPUKDIQRZLRY-VAWYXSNFSA-N 464.388 6.827 70 10 JKIE COCCOCCOCCOCCCCCCCCCCC[Si](Cl)(Cl)Cl 196029102 TUOCPLDRWYXMFR-UHFFFAOYSA-N 451.935 5.849 70 10 JKIE Cc1cc(Br)c(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1Br 159551819 JDIISMCRRSWSPG-UHFFFAOYSA-N 457.546 5.113 70 10 JKIE CC(=O)Nc1ccc(NC(=O)NCCCOc2ccc(C(C)(C)C)cc2Br)cc1 217298410 RQUHURRAOPWCQQ-UHFFFAOYSA-N 462.388 5.296 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)c2cccc3ccccc23)cc1 216657254 FWVNTVZBZATGRL-UHFFFAOYSA-N 468.509 5.557 70 10 JKIE O=S(=O)(Cl)c1cc(Cl)c(OCc2ccc(I)cc2)cc1Cl 115900920 IMNUSUJDIDAIFR-UHFFFAOYSA-N 477.534 5.105 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)c2cccc(Br)c2)cc1 216651028 BNHKIJRUWJLBSP-UHFFFAOYSA-N 497.345 5.167 70 10 JKIE Cc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc([B-](F)(F)F)c(C)c1N=[N+]=[N-] 1887520736 AYONEGKZEZPWCW-UHFFFAOYSA-N 465.264 6.338 70 10 JKIE Cc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc(N=[N+]=[N-])c(C)c1OS(=O)(=O)F 1887521022 MIKABXLXHUIWIS-UHFFFAOYSA-N 496.520 5.877 70 10 JKIE CCOc1ccc(Br)cc1[C@@H](O)c1cc(Br)ccc1Br 161036004 YTDYXEKQSOSGJK-HNNXBMFYSA-N 464.979 5.455 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)/C=C/C3CCCCC3)cc2)cc1 216646136 DAZGTRMMZWPRJY-LICLKQGHSA-N 450.535 5.227 70 10 JKIE O=C(NCCCOc1ccc(Br)cc1Cl)Nc1ccc(Cl)cc1Cl 217298847 VZBVEXLENWDZHN-UHFFFAOYSA-N 452.563 6.000 70 10 JKIE NC[C@@H](c1ccc(Cl)c(Cl)c1)[C@H](O)c1cc(Br)ccc1Br 161272231 ZHJOEPUSPRQMSQ-XHDPSFHLSA-N 453.989 5.294 70 10 JKIE CCc1cc(Br)cc(S(=O)(=O)Cl)c1OC[C@@H](C)COCc1ccccc1 1890649319 CHCBJYSMFQCIGF-AWEZNQCLSA-N 461.805 5.171 70 10 JKIE CC[C@H](NC(=O)NCCCOc1ccc(Br)cc1Cl)c1ccc2c(c1)CCCC2 217298913 CTLYYNKCZTXCQS-NRFANRHFSA-N 479.846 6.201 70 10 JKIE Cc1ccc(Cl)c(NC(=O)c2cc(Br)ccc2I)c1Cl 217425112 QCQBCVBZKREOHU-UHFFFAOYSA-N 484.946 5.921 70 10 JKIE O=C(OCc1ccccc1)N(CCCS(=O)(=O)Cl)C(c1ccccc1)c1ccccc1 757174701 AQBXJLSGPUSOHO-UHFFFAOYSA-N 457.979 5.374 70 10 JKIE Cc1c(CC(=O)O)cc([B-](F)(F)F)cc1N(C)C(=O)OCC1c2ccccc2-c2ccccc21 1887520187 GUPSGYFGHCUYAL-UHFFFAOYSA-N 468.260 5.062 70 10 JKIE CC(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)=NN=C(c1ccccc1)c1ccccc1 254589119 CORRGNNIYMRXKD-UHFFFAOYSA-N 496.594 6.696 70 10 JKIE C[C@@H](NC(=O)c1cc(Br)ccc1Br)c1ccccc1Br 160196237 AGWOMDSKFMVQKQ-SECBINFHSA-N 461.979 5.465 70 10 JKIE O=C(Nc1ccccc1I)N1CCN(C(c2ccccc2)c2ccccc2)CC1 217272785 VYRDGRIYHKCZPG-UHFFFAOYSA-N 497.380 5.230 70 10 JKIE CN(CCN(Cc1ccccc1)c1ncc([B-](F)(F)F)cc1C(F)(F)F)Cc1ccccc1 2052598977 YYALTRMQGRZOBA-UHFFFAOYSA-N 466.258 5.293 70 10 JKIE CC(C)(C)OC(=O)Nc1cc(Br)cc(C(=O)N2CCC[C@H]([B-](F)(F)F)C2)c1 2133911396 AZAGVSXZDJXUSW-LBPRGKRZSA-N 450.084 5.250 70 10 JKIE O=C(N/C=C/c1ccc(Br)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 218264793 GMWBQLMPKZMNJV-FOCLMDBBSA-N 476.418 5.537 70 10 JKIE CCCN[C@H](c1cc(Br)ccc1Br)c1cc(Cl)sc1Cl 159847229 YLVPZJANQZGHKO-CYBMUJFWSA-N 458.046 6.669 70 10 JKIE CCOC(=O)C(N=Nc1ccccc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 1084596270 KWLKEZNVCUWPGR-UHFFFAOYSA-N 452.494 5.457 70 10 JKIE CCCn1nccc1CNc1c(Br)cc(Br)cc1Br 159995573 GDTJAWZHGDNIKU-UHFFFAOYSA-N 451.988 5.193 70 10 JKIE C[C@@H](NC(=O)NCCCOc1ccc(C(C)(C)C)cc1Br)c1ccc2c(c1)CCCC2 217298503 OEOCMJHXFRGULF-GOSISDBHSA-N 487.482 6.455 70 10 JKIE CC(C)(NC(=O)c1cc(Br)ccc1Br)c1ccc(Br)cc1 160297468 GFUQVCDREUTDIP-UHFFFAOYSA-N 476.006 5.639 70 10 JKIE OCC1(CNc2c(Br)cc(Br)cc2Br)CCCCC1 161362089 HZWBQULBDKBWBA-UHFFFAOYSA-N 456.016 5.329 70 10 JKIE CCOc1ccc(C)cc1[C@H](C)NC(=O)NCCCOc1ccc(Br)cc1Cl 217298911 SNYLBYBTTHZVOV-HNNXBMFYSA-N 469.807 5.639 70 10 JKIE CC(C)(C)OC(=O)Nc1cc(C(=O)N2CCC[C@H]([B-](F)(F)F)C2)ccc1Br 2133916204 ZSYRJVTWXNRFEG-LBPRGKRZSA-N 450.084 5.250 70 10 JKIE CC(C)(C)OC(=O)Nc1cc(C(=O)N2CC[C@H]3C[C@]3([B-](F)(F)F)C2)ccc1Br 2194135047 ZZXFBDGLHVOGGS-SGTLLEGYSA-N 462.095 5.250 70 10 JKIE C#Cc1c(C)c(CNC(=O)OCC2c3ccccc3-c3ccccc32)c(C)c(OS(=O)(=O)F)c1C 1887579124 BKARZTDIXSUUKO-UHFFFAOYSA-N 493.556 5.225 70 10 JKIE CN[C@@H](c1ccc(OC)cc1Br)c1cc(Br)ccc1Br 159852225 WBWMWGAKXYWPBV-HNNXBMFYSA-N 463.995 5.292 70 10 JKIE C[C@@H](NC(=O)c1cc(Br)ccc1Br)c1ccc(Cl)c(Cl)c1 160261085 FIJDWDXUJGEQKX-MRVPVSSYSA-N 451.973 6.009 70 10 JKIE CC(C)(C)c1ccc(OCCCNC(=O)NCCc2cccc(Cl)c2)c(Br)c1 217298784 PUNLTGHGOFAALN-UHFFFAOYSA-N 467.835 5.711 70 10 JKIE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H]([B-](F)(F)F)C1 2248892232 WIRTUTWLESPPJR-MHECFPHRSA-N 487.351 5.780 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)CCc3ccc(Cl)cc3)cc2)cc1 216635774 JHYSCTNXBNEMSK-UHFFFAOYSA-N 480.948 5.377 70 10 JKIE O=S(=O)(Cl)c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1 59093644 KAJQLLITWJKLIX-UHFFFAOYSA-N 474.985 5.372 70 10 JKIE CN[C@@H](c1cc(F)c(Br)cc1F)c1cc(Br)ccc1Br 159871351 DJNFVPZHUJNEKQ-CQSZACIVSA-N 469.949 5.561 70 10 JKIE Cc1cc(Br)c(C(=O)N2CC[C@@H]([B-](F)(F)F)C2)cc1NC(=O)OC(C)(C)C 2342475098 OQXWATBGXGGWMD-LLVKDONJSA-N 450.084 5.168 70 10 JKIE O=S(=O)(Cl)CCCCCOc1c(Br)cc(Br)cc1Br 112356310 QSSXWQLQOWYDBG-UHFFFAOYSA-N 499.446 5.092 70 10 JKIE N[C@H](c1cc(Br)c(Br)s1)c1cc(C(F)(F)F)ccc1Br 159754311 TVOQUQNXIPKZCV-JTQLQIEISA-N 493.968 6.103 70 10 JKIE O=S(=O)(Cl)c1ccc(Oc2cc(Cl)ccc2Br)c(Br)c1 708162780 OXMWOHXEPBZLOJ-UHFFFAOYSA-N 460.958 5.585 70 10 JKIE Cc1c(C(=O)OC(C)(C)C)cc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1[B-](F)(F)F 1887521681 KAKDBSQIKSCMPK-UHFFFAOYSA-N 496.314 6.366 70 10 JKIE CC(C)(C)OC(=O)Nc1ccc(Br)c(C(=O)N2CC[C@H]3C[C@]3([B-](F)(F)F)C2)c1 2194131720 DHTYARGWAMYXBW-VOJFVSQTSA-N 462.095 5.250 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3)c2)cc1 216681081 XHPICQIEJJVDFN-KRWDZBQOSA-N 496.947 5.211 70 10 JKIE C#Cc1c(C)c(CNC(=O)OCC2c3ccccc3-c3ccccc32)c(C)c([B-](F)(F)F)c1C 1887515382 MPNLSTPITWZNQR-UHFFFAOYSA-N 462.300 5.686 70 10 JKIE CC[C@@H](NC(=O)NCCCOc1ccc(Br)cc1Cl)c1ccc2c(c1)CCCC2 217298912 CTLYYNKCZTXCQS-OAQYLSRUSA-N 479.846 6.201 70 10 JKIE CCN[C@H](c1cc(Br)ccc1Br)c1cc(Br)ccc1OC 159828454 FIHUPQMOFKDRBN-MRXNPFEDSA-N 478.022 5.682 70 10 JKIE CC(C)(C)N1C(=O)c2ccc(NC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2C1=O 217280533 FBRQQHCLICXKIB-UHFFFAOYSA-N 473.373 5.763 70 10 JKIE Cc1c(S)cc(CNC(=O)OCC2c3ccccc3-c3ccccc32)c(C)c1OS(=O)(=O)F 1887520761 CTEJNYFZYYFALM-UHFFFAOYSA-N 487.574 5.224 70 10 JKIE CCCN[C@H](c1ccc(C)cc1Br)c1cc(Br)sc1Br 161031228 APEWZOARPVGKNF-CQSZACIVSA-N 482.079 6.433 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)c3ccc(Br)cc3)c2)cc1 216675529 GVBOUVKVIUZVEC-UHFFFAOYSA-N 497.345 5.167 70 10 JKIE CC(C)CN1C(=O)c2ccc(NC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2C1=O 217279712 OCGLGXUFRVPADH-UHFFFAOYSA-N 473.373 5.620 70 10 JKIE CCOc1ccc([C@H](O)c2cc(Br)ccc2Br)cc1Br 161056637 HVXDKRCLUGGACM-HNNXBMFYSA-N 464.979 5.455 70 10 JKIE CC(C)(C)OC(=O)Nc1cc(Br)cc(C(=O)N2CC[C@H]3C[C@@]3([B-](F)(F)F)C2)c1 2194131789 FEONULFUQGLGNZ-KPZWWZAWSA-N 462.095 5.250 70 10 JKIE COc1cc(C)c(Br)cc1[C@H](O)c1cc(Br)ccc1Br 161048068 MNRJXOCVWRZPNW-OAHLLOKOSA-N 464.979 5.373 70 10 JKIE CCNc1cc(C)nc(COc2c(Br)cc(Br)cc2Br)n1 159896302 HMVVBGLOSDCGLC-UHFFFAOYSA-N 479.998 5.083 70 10 JKIE CCOc1ccc([C@@H](N)c2cc(Br)ccc2Br)cc1Br 159907626 LNAYMUBMXBWYSL-OAHLLOKOSA-N 463.995 5.421 70 10 JKIE C[C@H](NC(=O)NCCCOc1ccc(Br)cc1Cl)c1ccc2c(c1)CCCC2 217298917 OZWUUGNYNJYISJ-HNNXBMFYSA-N 465.819 5.811 70 10 JKIE CCOC(=O)C(N=Nc1ccc([N+](=O)[O-])cc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 1084510197 RXRLRUXCEDXREB-UHFFFAOYSA-N 497.491 5.366 70 10 JKIE CN[C@@H](c1cc(Cl)c(OC)cc1Cl)c1cc(Br)ccc1Br 159902676 FPHYMKUHXFLILF-OAHLLOKOSA-N 453.989 5.836 70 10 JKIE O=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc2c(c1)Cc1ccccc1-2 196343585 SOHHQKAPSOMKBJ-UHFFFAOYSA-N 468.536 6.237 70 10 JKIE F[B-](F)(F)c1cc(Cl)cnc1Sc1cc(I)ccc1Br 2338312505 GPPDAWIAKZVYJE-UHFFFAOYSA-N 493.302 5.308 70 10 JKIE CC(C)C1=C(C(C)(C)C)C(c2ccc(F)cc2)=C(/C=C\C=O)[C@@H](C(C)C)N1CO[SiH](C)C 201097182 QVMQKMMRDZAMAF-VBKSFVIKSA-N 457.706 6.588 70 10 JKIE O=S(=O)(Cl)c1ccc(Oc2cc(Br)cc(Br)c2)cc1Cl 2364050279 ZHAWYJPZXLSAOA-UHFFFAOYSA-N 460.958 5.585 70 10 JKIE CCCN[C@@H](Cc1ccc(Br)s1)c1ccccc1I 160666161 PQSKGXPMDVCTTC-AWEZNQCLSA-N 450.183 5.399 70 10 JKIE O=C(NCc1ccccc1Br)N1CCN(C(c2ccccc2)c2ccccc2)CC1 217314228 YNYPEXABRITSLS-UHFFFAOYSA-N 464.407 5.066 70 10 JKIE C[C@H](COCc1ccccc1)COc1c(Br)cc(S(=O)(=O)F)cc1Br 2071420239 CMBOPTODCGVSGL-GFCCVEGCSA-N 496.192 5.102 70 10 JKIE O=S(=O)(NC[C@@H]1CCCN(c2nccs2)C1)c1ccc(-c2cccc(C(F)(F)F)c2)cc1 218193620 HXPZXUNZUQDHTJ-INIZCTEOSA-N 481.565 5.024 70 10 JKIE O=S(=O)(Cl)c1cc(Cl)c(Oc2ccc(I)cc2)cc1Cl 2234470641 WVQFVSCYRNGTAS-UHFFFAOYSA-N 463.507 5.318 70 10 JKIE COc1cc(C)c(Br)cc1[C@@H](O)c1cc(Br)ccc1Br 161048180 MNRJXOCVWRZPNW-HNNXBMFYSA-N 464.979 5.373 70 10 JKIE CCOc1cc(NC(=O)NCCc2cccc(Br)c2)cc(OCC)c1OCC 217275291 CBNKUDBNSMPAKK-UHFFFAOYSA-N 451.361 5.009 70 10 JKIE CCN[C@H](c1cc(F)c(Br)cc1F)c1cc(Br)ccc1Br 159871893 QSQFTQMLLOVOAT-HNNXBMFYSA-N 483.976 5.951 70 10 JKIE CCOc1ccc(Br)cc1[C@H](O)c1cc(Br)ccc1Br 161035859 YTDYXEKQSOSGJK-OAHLLOKOSA-N 464.979 5.455 70 10 JKIE CCN[C@H](c1cc(Br)ccc1Br)c1sc(C)cc1Br 159876874 ICOWLUQUHUMKSQ-CYBMUJFWSA-N 468.052 6.043 70 10 JKIE COc1cc(Br)c([C@@H](O)c2cc(Br)ccc2Br)cc1OC 161029234 MUPVIDPOWOYQEN-HNNXBMFYSA-N 480.978 5.073 70 10 JKIE Cc1c(C=O)c(C)c(OS(=O)(=O)F)c(C)c1NC(=O)OCC1c2ccccc2-c2ccccc21 1887551832 GPTACCULWAECBO-UHFFFAOYSA-N 483.517 5.378 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)c3ccc(Cl)cc3)c2)cc1 216674947 FADGSACFTCOVDM-UHFFFAOYSA-N 452.894 5.058 70 10 JKIE CCCN[C@@H](c1cc(Br)ccc1Br)c1cc(Cl)sc1Cl 159847102 YLVPZJANQZGHKO-ZDUSSCGKSA-N 458.046 6.669 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)/C=C/c3ccc(C)cc3)cc2)cc1 216644341 LTVFTOUXJKKVEC-LICLKQGHSA-N 458.514 5.112 70 10 JKIE Cc1ccc2nc(-c3ccc(NC(=O)Nc4ccc5c(c4)C(=O)N(C(C)C)C5=O)cc3)sc2c1 217279329 KNAOYSBRKDWRAU-UHFFFAOYSA-N 470.554 5.920 70 10 JKIE CCN[C@H](c1cc(Br)ccc1Br)c1cc(Br)sc1C 159881464 DPFGCXJITPRJRV-AWEZNQCLSA-N 468.052 6.043 70 10 JKIE CCCN[C@H](Cc1ccc(Br)s1)c1cc(Br)c(Br)s1 160661267 AVTIWQJTKZVCCG-SNVBAGLBSA-N 488.108 6.381 70 10 JKIE O=S(=O)(Cl)c1cc(Br)ccc1OCc1ccc(Br)cc1Cl 168054918 VBCMPOFJZDNMKN-UHFFFAOYSA-N 474.985 5.372 70 10 JKIE Cc1c(C(=O)O)cc([B-](F)(F)F)cc1N(C)C(=O)OCC1c2ccccc2-c2ccccc21 1887519669 GRWKZUOXQMNQKB-UHFFFAOYSA-N 454.233 5.133 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)c2cc(Cl)ccc2Cl)cc1 216657957 QMTBLADXEBRNPW-UHFFFAOYSA-N 487.339 5.711 70 10 JKIE CN[C@@H](c1cc(C)c(Br)cc1C)c1cc(Br)ccc1Br 159869949 YXRMNMADRUQZML-INIZCTEOSA-N 462.023 5.900 70 10 JKIE Cc1cc(I)ccc1NC(=O)N/C=C/c1cccc(Br)c1 218065219 DXIJNIZSAGNEIH-BQYQJAHWSA-N 457.109 5.155 70 10 JKIE O=S(=O)(Cl)[C@@H](c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C(F)(F)F 2016740884 OINSIYRQMFAEPN-NRFANRHFSA-N 470.896 6.017 70 10 JKIE CCN[C@H](c1cc(Br)sc1Br)c1c(F)cccc1Br 160822069 VXEUAYARAUZSNX-GFCCVEGCSA-N 472.015 5.874 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)c2cccc(Cl)c2)cc1 216650788 HNMOPWZOTFWFTA-UHFFFAOYSA-N 452.894 5.058 70 10 JKIE Cc1cc(Br)ccc1NC(=O)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 217281424 STRHKQBBOWNKLT-UHFFFAOYSA-N 456.340 5.330 70 10 JKIE CCCN[C@@H](Cc1ccc(F)cc1Br)c1cccc(I)c1 161342139 VTPUBIGEQOQQOQ-KRWDZBQOSA-N 462.144 5.476 70 10 JKIE COc1cc([C@@H]2NN=C3CCN(Cc4ccccc4)C[C@H]32)ccc1OCc1cc(C)ccc1C 217062773 NBTBTUIQAZRSKY-IRPSRAIASA-N 455.602 5.413 70 10 JKIE CC(C)(C)OC(=O)Nc1cc(Br)ccc1C(=O)N1CC[C@@H]2C[C@]2([B-](F)(F)F)C1 2194133499 PSTDYRGIAUQFEL-ZMZPIMSZSA-N 462.095 5.250 70 10 JKIE Cc1cccc(C(C)C)c1NC(=O)NCCCOc1ccc(C(C)(C)C)cc1Br 217298420 HUBUJDCXNUVCKZ-UHFFFAOYSA-N 461.444 6.769 70 10 JKIE O=C(NCCCOc1ccc(Br)cc1Cl)NC(c1ccccc1)c1ccccc1 217298883 OYWZEWVQPFQEMO-UHFFFAOYSA-N 473.798 5.960 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)c3ccc(-n4cccc4)cc3)c2)cc1 216682815 KCADDEZMBSTXJD-UHFFFAOYSA-N 483.524 5.195 70 10 JKIE C[C@@]12CCCc3cc(OS(=O)(=O)C(F)(F)F)ccc3[C@@]1(Cc1ccccc1)CCC(=O)C2 1857787785 KLEDRLQUFCHLPF-GOTSBHOMSA-N 466.521 5.491 70 10 JKIE Cc1cc(Br)c(S(=O)(=O)Nc2ccc(Cl)cc2C)cc1Br 159549165 SSKYBLDLTJTUBR-UHFFFAOYSA-N 453.583 5.283 70 10 JKIE CCN[C@@H](c1ccc(C)cc1Br)c1cc(Br)ccc1Br 161021550 BCPPQWZADJWUOC-INIZCTEOSA-N 462.023 5.981 70 10 JKIE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC([B-](F)(F)F)CC1 2212489273 RNBBEVMQOLWMAM-QHCPKHFHSA-N 473.324 5.390 70 10 JKIE Nc1[nH]nc(-c2cc(Br)ccc2Br)c1-c1ccccc1Br 160749450 OXVSTXYBEQKYMQ-UHFFFAOYSA-N 471.978 5.613 70 10 JKIE CC[C@H](c1nc2ccccc2c(=O)n1-c1ccc(OC)cc1)N(CCC(C)C)C(=O)CCCCl 35068326 UXUBDHQCLMAOPO-XMMPIXPASA-N 484.040 5.739 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)CCc3cccc(C)c3)c2)cc1 216691462 LNGVOHWAAGOQOB-UHFFFAOYSA-N 460.530 5.032 70 10 JKIE CC(C)(C)c1ccc(OCCCNC(=O)Nc2ccc(Oc3ccccc3)cc2)c(Br)c1 217298506 NTVKBXYGUBIIIZ-UHFFFAOYSA-N 497.433 7.130 70 10 JKIE CN[C@H](c1ccc(F)c(Br)c1)c1cc(Br)ccc1Br 159883787 HFKXCUNDUIGRAC-CQSZACIVSA-N 451.959 5.422 70 10 JKIE COc1c2ccc(C(=O)Nc3ccccc3-c3csc(-c4ccccc4F)n3)cc2nn1C 218611173 UHWNFOFXXFVCJI-UHFFFAOYSA-N 458.518 5.764 70 10 JKIE CNc1cc(CNC(=O)OCC2c3ccccc3-c3ccccc32)c(C)c(S(=O)(=O)F)c1C 1887519763 JRMGDDFLPJZPOR-UHFFFAOYSA-N 468.550 5.042 70 10 JKIE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@H]2C[C@]2([B-](F)(F)F)C1 2311107718 HFTDQQNVTFSCHO-JDCXXBLKSA-N 499.362 5.780 70 10 JKIE CCOc1cc(NC(=O)NCCc2ccccc2Br)cc(OCC)c1OCC 217275275 GBLFMRVPMOQPIT-UHFFFAOYSA-N 451.361 5.009 70 10 JKIE O=S(=O)(Cl)c1ccc2c(c1)[C@H](C(Cl)(Cl)Cl)O[C@@H](C(Cl)(Cl)Cl)O2 146664418 HMIRJHQVSJRBPK-SFYZADRCSA-N 469.384 5.131 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)c3ccccc3Cl)cc2)cc1 216625154 JLYXONICLAZVHP-UHFFFAOYSA-N 452.894 5.058 70 10 JKIE COc1ccc(CNC(=O)Nc2ccccc2-c2csc(-c3ccccc3F)n2)cc1OC 218675279 FSRIKHHNBCZNPL-UHFFFAOYSA-N 463.534 5.955 70 10 JKIE COc1c(C)cc(Br)c(C)c1[C@@H](O)c1cc(Br)ccc1Br 161055620 HVFYFDHAQZLERB-HNNXBMFYSA-N 479.006 5.681 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)CCc3cccc(Cl)c3)c2)cc1 216691865 OSQDPUSRLWFRFI-UHFFFAOYSA-N 480.948 5.377 70 10 JKIE CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H]([N+](=O)[O-])[C@@]4(Cl)C[C@@H](Cl)CC[C@]4(C)[C@H]3CC[C@@]21C 136722711 KJNJTCUBWIYXDS-BZYDGCPMSA-N 486.568 8.332 70 10 JKIE Cc1cc(Br)c(C(=O)N2CC[C@@](C)([B-](F)(F)F)C2)cc1NC(=O)OC(C)(C)C 2368342186 FBMGKHMSNKDETP-GOSISDBHSA-N 464.111 5.558 70 10 JKIE CCOc1ccc([C@@H](O)c2cc(Br)ccc2Br)c(Br)c1 161051610 OIOBFMXBBDVTFB-OAHLLOKOSA-N 464.979 5.455 70 10 JKIE CC(C)(C)c1ccc(OCCCNC(=O)Nc2cccc(C(F)(F)F)c2)c(Br)c1 217298430 UZGGNRCLWDNAHC-UHFFFAOYSA-N 473.333 6.356 70 10 JKIE CCCCCCCCCCCCCCCCCC[Si@@](C)(Cl)CCCc1ccccc1 1857524514 OLYMXDLPDDXGGI-SSEXGKCCSA-N 451.255 10.695 70 10 JKIE COc1ccc(NC(=O)NCCCOc2ccc(C(C)(C)C)cc2Br)cc1OC 217298400 HZNWQCNZEOWRDV-UHFFFAOYSA-N 465.388 5.354 70 10 JKIE Cc1cccc(C2=NC(=P(c3ccccc3)(c3ccccc3)c3ccccc3)C(=S)O2)c1 107869042 PXINBFRTKPTYQE-UHFFFAOYSA-N 451.531 5.223 70 10 JKIE N[C@H](Cc1cc(Br)ccc1F)c1cc(Br)ccc1Br 160422474 DUKUNRLWYFONMY-CQSZACIVSA-N 451.959 5.356 70 10 JKIE Cc1cc(Br)c(S(=O)(=O)Nc2cc(Cl)ccc2F)cc1Br 159548697 SXJXPSTYTCKJEW-UHFFFAOYSA-N 457.546 5.113 70 10 JKIE O=C(NCc1ccc(Br)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 217315390 HVPNEXLPLJYJQN-UHFFFAOYSA-N 464.407 5.066 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)CCc2ccccc2C)cc1 216666296 QXLGOSYXVFGWLT-UHFFFAOYSA-N 460.530 5.032 70 10 JKIE COC(=O)c1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(C)c([B-](F)(F)F)c1 1887519664 GMTVNOUMDWWGHE-UHFFFAOYSA-N 454.233 5.197 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 216631915 QYAQFENAHCRFAJ-UHFFFAOYSA-N 474.557 5.702 70 10 JKIE O=C(Cn1ccc2c(Br)cccc21)c1cc(Br)sc1Br 159432408 MBQAHNPRRRYQNA-UHFFFAOYSA-N 478.003 5.873 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)CCc2ccccc2Cl)cc1 216666621 CUNMXZGDMXQMPY-UHFFFAOYSA-N 480.948 5.377 70 10 JKIE N[C@H](c1cc(Br)ccc1Br)c1csc2c(Br)cccc12 159891329 CDCXFEBCKNIDQA-CQSZACIVSA-N 476.031 6.237 70 10 JKIE COc1cc(C(=O)Nc2ccccc2-c2csc(-c3ccccc3F)n2)cc(OC)c1OC 218604791 ZHVBOMYHNBNQCH-UHFFFAOYSA-N 464.518 5.894 70 10 JKIE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@](C)([B-](F)(F)F)C1 1902522410 QEYIFWPHWNZQJK-DHLKQENFSA-N 473.324 5.390 70 10 JKIE CN(Cc1cc(Cl)cc(Cl)c1)C(=O)c1cc(Br)ccc1Br 160409094 YZHJVCSNJYVRHZ-UHFFFAOYSA-N 451.973 5.791 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)c2c(F)cccc2Cl)cc1 216664040 OFSORUPVQXCWFI-UHFFFAOYSA-N 470.884 5.197 70 10 JKIE CC(C)(C)N1C(=O)c2ccc(NC(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2C1=O 217280301 KQEZZSDTPJQQFN-UHFFFAOYSA-N 496.611 5.020 70 10 JKIE Cc1cc(Cl)ccc1NC(=O)NCCCOc1ccc(C(C)(C)C)cc1Br 217298599 WHEYNBQNPDGJMQ-UHFFFAOYSA-N 453.808 6.299 70 10 JKIE Cc1c(CC(=O)O)cc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1[B-](F)(F)F 1887519960 SMSNRJGPTHAHFT-UHFFFAOYSA-N 454.233 5.038 70 10 JKIE CC(C)(C)OC(=O)Nc1cc(Br)ccc1C(=O)N1CCC([B-](F)(F)F)CC1 2231044914 OHUBOEKBFYRUCD-UHFFFAOYSA-N 450.084 5.250 70 10 JKIE O=S(=O)(Cl)c1ccc2c(c1)[C@H](C(Cl)(Cl)Cl)O[C@H](C(Cl)(Cl)Cl)O2 146664030 HMIRJHQVSJRBPK-HTQZYQBOSA-N 469.384 5.131 70 10 JKIE CC(C)(C)c1ccc(OCCCNC(=O)NCc2ccc(Cl)cc2)c(Br)c1 217298469 OTGVITCTWJKYAA-UHFFFAOYSA-N 453.808 5.668 70 10 JKIE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H]([B-](F)(F)F)C1 2248892233 WIRTUTWLESPPJR-UUOWRZLLSA-N 487.351 5.780 70 10 JKIE Cc1nc(-c2ccccc2NC(=O)[C@H]2CCCCN2c2ccc(-c3cccs3)nn2)cs1 218603052 ROJAONUUMBGBDZ-OAQYLSRUSA-N 461.616 5.635 70 10 JKIE COC(=O)c1cc(N(C)C(=O)OCC2c3ccccc3-c3ccccc32)c(C)c([B-](F)(F)F)c1 1887520464 RZXZREXRYCIETJ-UHFFFAOYSA-N 468.260 5.221 70 10 JKIE C[C@H](c1cc(Br)cc(Br)c1NC(=O)OC(C)(C)C)S(=O)(=O)Cl 1952631845 JRTPPMOJGVDMBC-SSDOTTSWSA-N 477.602 5.188 70 10 JKIE CN[C@@H](c1ccc2cc(Br)ccc2c1)c1cc(Br)c(Br)s1 159581362 GFIHBRUQJMJZJZ-HNNXBMFYSA-N 490.058 6.498 70 10 JKIE CC(C)(C)c1ccc(OCCCNC(=O)NCc2ccc(Br)cc2)c(Br)c1 217298775 VAIWMBYATOHSSC-UHFFFAOYSA-N 498.259 5.777 70 10 JKIE O=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)Oc1cccc(C(F)(F)F)c1 607708061 NSDSDOAXTRYBCL-UHFFFAOYSA-N 464.423 5.407 70 10 JKIE CN[C@H](c1ccc(OC)cc1Br)c1cc(Br)ccc1Br 159852383 WBWMWGAKXYWPBV-OAHLLOKOSA-N 463.995 5.292 70 10 JKIE CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@@H]3[C@H]2CC[C@]2(C)C(OS(=O)(=O)C(F)(F)F)=CC[C@H]32)C1 1307360052 MCIVSCZCJRGEJR-WHHPXKAQSA-N 462.530 5.241 70 10 JKIE CCN[C@H](Cc1cc(Br)ccc1F)c1cc(Br)c(Br)s1 160409569 SVXYDWSSHSIVAJ-GFCCVEGCSA-N 486.042 6.068 70 10 JKIE CCCN[C@H](c1cc(Br)ccc1Br)c1c(F)cccc1Br 160825577 UHNMCYNXQGRUSJ-MRXNPFEDSA-N 480.013 6.202 70 10 JKIE CC(C)(C)c1ccc(OCCCNC(=O)Nc2cccc(Br)c2)c(Br)c1 217298668 YZKTYNAWCJZWRT-UHFFFAOYSA-N 484.232 6.100 70 10 JKIE Cc1cc(Br)c(C(=O)N2CCC([B-](F)(F)F)CC2)cc1NC(=O)OC(C)(C)C 2239519507 ZGCDMDPOLNKNCV-UHFFFAOYSA-N 464.111 5.558 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)/C=C/c2ccc(C)cc2)cc1 216669705 HMLFYYYRMHTQAB-SFQUDFHCSA-N 458.514 5.112 70 10 JKIE Cc1cc(Br)c(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1Br 159532581 WLCJXBCZNJIMST-UHFFFAOYSA-N 474.001 5.628 70 10 JKIE O=C(Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)Nc1ccc(Cl)c(C(F)(F)F)c1 217281217 CFMNHZSZEXYADM-UHFFFAOYSA-N 465.859 5.932 70 10 JKIE CCCN[C@@H](c1cc(Cl)c(Br)s1)c1ccc(Br)cc1OC 160654974 JRAFVSZKQMHQFS-CQSZACIVSA-N 453.627 6.024 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)[C@@H](C)Oc3ccc(Cl)cc3)c2)cc1 216681109 AGCJXEWNICLBSC-QGZVFWFLSA-N 496.947 5.211 70 10 JKIE Cc1ccc(OCNC(=O)Nc2ccc(I)cc2C)c(C(C)(C)C)c1 217290027 LVIDHZYDNPINDU-UHFFFAOYSA-N 452.336 5.364 70 10 JKIE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@](C)([B-](F)(F)F)C1 2303107952 CNPGTCKCUXNCCS-RUJAXMSRSA-N 487.351 5.780 70 10 JKIE O=S(=O)(Cl)c1ccc(OCc2ccc(Br)cc2Cl)c(Br)c1 168054808 WERRXRLPRMEVIF-UHFFFAOYSA-N 474.985 5.372 70 10 JKIE C[C@@H](NC(=O)c1cc(Br)ccc1I)c1cccc(Cl)c1 217446610 PSGMQQAGMNIGEQ-SECBINFHSA-N 464.528 5.198 70 10 JKIE CCOC(=O)C(N=Nc1ccccc1)=P(/C=C/c1ccccc1)(c1ccccc1)c1ccccc1 254761854 KHRQDIYXGARDHK-UHTVNGLYSA-N 478.532 6.803 70 10 JKIE CC(C)(C)c1ccc(OCCCNC(=O)Nc2ccc3ccccc3c2)c(Br)c1 217298651 NYRJXHKOIUJYEM-UHFFFAOYSA-N 455.396 6.490 70 10 JKIE N[C@@H](c1ccc2cc(Br)ccc2c1)c1cc(Br)sc1Br 159566542 ISBWEWYIDJMLLS-AWEZNQCLSA-N 476.031 6.237 70 10 JKIE CCCc1ccc(OCC(=O)Nc2ccc(CNC(=O)c3ccc(OC(=O)OCC)cc3)cc2)cc1 216629820 WUFFJURGVIBHAB-UHFFFAOYSA-N 490.556 5.122 70 10 JKIE Cc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc(OS(=O)(=O)F)c(C)c1N=[N+]=[N-] 1887521028 MRUAMRLSRYIEHJ-UHFFFAOYSA-N 496.520 5.877 70 10 JKIE COc1cc(Br)c(C(=O)c2cc(Br)ccc2Br)c(OC)c1 159780591 XVPQZGDCVNFTPB-UHFFFAOYSA-N 478.962 5.222 70 10 JKIE CCOc1ccc([C@@H](O)c2cc(Br)ccc2Br)cc1Br 161056759 HVXDKRCLUGGACM-OAHLLOKOSA-N 464.979 5.455 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)CCC3CCCCC3)c2)cc1 216684328 RLYBNRXFQYUJOK-UHFFFAOYSA-N 452.551 5.451 70 10 JKIE Cc1cc(Br)c([C@H](O)c2c(F)cccc2Br)cc1Br 161167064 QCFJDODAUOZCJE-AWEZNQCLSA-N 452.943 5.503 70 10 JKIE CC(C)(C)c1ccc(OCCCNC(=O)N2CCN(c3ccccc3)CC2)c(Br)c1 217298724 VQHBYNQWCJROCA-UHFFFAOYSA-N 474.443 5.047 70 10 JKIE O=C(Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)Nc1ccccc1Sc1ccccc1 217281212 GXFQCTSDVMNXMG-UHFFFAOYSA-N 471.582 6.411 70 10 JKIE O=S(=O)(Cl)CC1(COc2c(Br)cccc2Br)CCCCC1 115565382 MDYCAKIZYGQRHV-UHFFFAOYSA-N 460.615 5.110 70 10 JKIE CCCN[C@H](Cc1cc(Br)ccc1F)c1csc(I)c1 160304455 WFIIOVYNUXTKCY-CQSZACIVSA-N 468.173 5.538 70 10 JKIE CCn1nc(C)c(S(=O)(=O)Nc2ccccc2-c2csc(-c3ccccc3F)n2)c1C 218605801 YABUTAMBYUCRET-UHFFFAOYSA-N 456.568 5.250 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)/C=C/c2ccccc2C)cc1 216668416 BCSIHKTYGHCCAY-SAPNQHFASA-N 458.514 5.112 70 10 JKIE Cc1c(CN)c(C)c(OS(=O)(=O)F)c(C)c1NC(=O)OCC1c2ccccc2-c2ccccc21 1887515133 YFJXFKXODWUWMM-UHFFFAOYSA-N 484.549 5.025 70 10 JKIE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@H]3C[C@]3([B-](F)(F)F)C2)cc1Br 2194131495 BGCZWGIMBWRAGS-SGTLLEGYSA-N 462.095 5.250 70 10 JKIE COc1ccc([C@H](C)NC(=O)NCCCOc2ccc(C(C)(C)C)cc2Br)cc1OC 217298496 TUDAONJEGYOVGP-INIZCTEOSA-N 493.442 5.593 70 10 JKIE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@H]2C[C@@]2([B-](F)(F)F)C1 2257358930 VIBONJDJBMHQOL-AVDBILAHSA-N 499.362 5.780 70 10 JKIE CCCN[C@@H](c1cc(Br)c(Br)s1)c1c(F)cccc1Br 160863248 DSAAFDKPZJTACC-ZDUSSCGKSA-N 486.042 6.264 70 10 JKIE COC(=O)Cc1cc(N(C)C(=O)OCC2c3ccccc3-c3ccccc32)c(C)c([B-](F)(F)F)c1 1887521112 RKBXSVWHUNLOSD-UHFFFAOYSA-N 482.287 5.150 70 10 JKIE O=C(NCc1ccc(C(=O)c2ccsc2)s1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 217293520 COXAORFFXXYNBZ-UHFFFAOYSA-N 463.424 6.008 70 10 JKIE O=C(Nc1cnn(C[C@@H]2COc3ccccc3O2)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 218263022 TYWMFHLIJULBMB-MRXNPFEDSA-N 471.357 5.013 70 10 JKIE CN[C@@H](c1cc(Br)c(C)cc1Br)c1ccc(Br)cc1OC 160657347 PZBCIJYMGRYWAE-MRXNPFEDSA-N 478.022 5.600 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)c3ccccc3C(F)(F)F)c2)cc1 216683351 LTIXXRPGHAKDMX-UHFFFAOYSA-N 486.446 5.423 70 10 JKIE Cc1cc(Br)c(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1Br 159533902 GFKAZNQBIHKKSO-UHFFFAOYSA-N 474.001 5.628 70 10 JKIE NC[C@H](c1ccc(Cl)cc1Cl)[C@@H](O)c1cc(Br)ccc1Br 161268477 WVIPMHNCMGQJNB-DOMZBBRYSA-N 453.989 5.294 70 10 JKIE O=C(Nc1cnn(C[C@H]2COc3ccccc3O2)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 218262956 TYWMFHLIJULBMB-INIZCTEOSA-N 471.357 5.013 70 10 JKIE CC(C)(C)c1ccc(OCCCNC(=O)NC23CC4CC(CC(C4)C2)C3)c(Br)c1 217298698 AVCQWAVNMYBMGF-UHFFFAOYSA-N 463.460 5.784 70 10 JKIE COc1cc(NC(=O)NCCCOc2ccc(Br)cc2Cl)c(OC)cc1Cl 217299134 TWMAJXBSMUPYNS-UHFFFAOYSA-N 478.170 5.364 70 10 JKIE Cc1cc(Br)ccc1NC(=O)NCCCOc1ccc(Br)cc1Cl 217299150 PHAFJILGRNJGLU-UHFFFAOYSA-N 476.596 5.764 70 10 JKIE Cc1cc(Br)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1Br 159531473 QJDKLEJBOOBCLP-UHFFFAOYSA-N 474.001 5.628 70 10 JKIE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@](C)([B-](F)(F)F)C1 1902522411 QEYIFWPHWNZQJK-RCZVLFRGSA-N 473.324 5.390 70 10 JKIE CC(C)(C)OC(=O)Nc1cc(I)cc(C(=O)N2CC[C@@](C)([B-](F)(F)F)C2)c1 2342486853 ZNBMLADIFXTOMB-QGZVFWFLSA-N 497.084 5.092 70 10 JKIE Nc1noc(-c2cc(Br)ccc2Br)c1-c1ccccc1Br 161311176 NAVUKYVLQNMVMJ-UHFFFAOYSA-N 472.962 5.878 70 10 JKIE O=C(Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)Nc1ccc(Cl)cc1C(F)(F)F 217281406 BOPBLOPEVOJBTC-UHFFFAOYSA-N 465.859 5.932 70 10 JKIE CCN[C@H](c1cc(Br)c(Br)s1)c1ccc(Br)cc1OC 160655089 GWVMTYOKDFULJH-ZDUSSCGKSA-N 484.051 5.743 70 10 JKIE CC(C)(C)c1ccc(OCCCNC(=O)Nc2cccc3ccccc23)c(Br)c1 217298648 NZBNNQURGWSTAS-UHFFFAOYSA-N 455.396 6.490 70 10 JKIE CN[C@@H](c1ccc2cc(Br)ccc2c1)c1cc(Br)sc1Br 159569614 PIPOKMLJXZAMCP-HNNXBMFYSA-N 490.058 6.498 70 10 JKIE CN[C@H](c1cc(Br)ccc1Br)c1cc(Br)cc2c1OCC2 159906043 JUKPLRLJPMKREY-OAHLLOKOSA-N 476.006 5.218 70 10 JKIE Cc1cc(Br)c(NCc2ccc(Br)c(F)c2)c(Br)c1 161252661 TUCOWMCKLYVXFR-UHFFFAOYSA-N 451.959 6.034 70 10 JKIE O=C(NCCc1cccc(Br)c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 217473845 QTKKCQKRXDLUDW-UHFFFAOYSA-N 478.434 5.108 70 10 JKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)c2ccccc2C(F)(F)F)cc1 216658738 STMDQZUFCHUGQB-UHFFFAOYSA-N 486.446 5.423 70 10 JKIE