smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCS(=O)(=O)[C@H]1CSCCN1C(=O)c1cc(Br)ccc1Br 160601307 NZMPYAPHTTWASH-LBPRGKRZSA-N 457.209 3.161 70 10 JGIE O=C1O[C@]2(CCCN(C(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)C2)c2ccccc21 217601736 GFXALPQVKUQJTR-DEOSSOPVSA-N 454.548 3.163 70 10 JGIE O=S(=O)(Cl)c1nc(I)c(Br)cc1OC(F)(F)F 396149167 FTGFAJLYWOEMAY-UHFFFAOYSA-N 466.400 3.275 70 10 JGIE CCc1ccc(S(=O)(=O)Cl)c(I)c1I 2060136489 AKUQJUIHWNAULI-UHFFFAOYSA-N 456.470 3.386 70 10 JGIE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)Cl)cc1Cl 2146003394 MOLCXICOWRBVQO-UHFFFAOYSA-N 491.374 3.086 70 10 JGIE Cc1cc(NC(=O)[C@@H]2C[C@@H]2Br)c(I)cc1S(=O)(=O)Cl 2231933229 SEYGPQXNWOURCB-RQJHMYQMSA-N 478.533 3.249 70 10 JGIE COc1ccc(C(=O)N2CCCN(C(=O)Cc3ccccc3Br)CC2)cc1OC 216859103 JLLUVBNXSVAPNG-UHFFFAOYSA-N 461.356 3.384 70 10 JGIE C[C@H](NS(=O)(=O)[C@H]1C[C@H](OCc2ccccc2)C1)c1ccc(S(=O)(=O)Cl)s1 2161368692 AYLAYINNADJWEE-QEJZJMRPSA-N 450.003 3.404 70 10 JGIE O=S(=O)(Cl)c1c(C(F)F)cc(I)nc1I 238687305 LUXJTYWHJBUTBU-UHFFFAOYSA-N 479.411 3.156 70 10 JGIE O=C1O[C@]2(CCCN(C(=O)CCNS(=O)(=O)c3c(Cl)cccc3Cl)C2)c2ccccc21 217572698 VYWZISWMAUEOME-NRFANRHFSA-N 483.373 3.350 70 10 JGIE O=S(=O)(Cl)c1nc(OC(F)(F)F)c(I)cc1Br 396153885 KVHGPPHXEFEVLY-UHFFFAOYSA-N 466.400 3.275 70 10 JGIE Cc1ccc(OCCCNC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 217297850 OALUUWRULHLSHD-UHFFFAOYSA-N 467.975 3.260 70 10 JGIE CC(C)(C)OC(=O)Nc1cc(C(=O)N2CC(CS(=O)(=O)F)C2)ccc1Br 2134973532 SAVOQDZJHVOIFC-UHFFFAOYSA-N 451.314 3.167 70 10 JGIE O=C(Nc1cnn(C[C@H]2COc3ccccc3O2)c1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 218270654 IUOSVYYSTNOBLF-KXBFYZLASA-N 452.898 3.368 70 10 JGIE CC1(C)[C@H](NC(=O)c2[nH]nc(Br)c2S(=O)(=O)Cl)C[C@H]1OCc1ccccc1 2190729114 JWHCMUDMKNLVJT-VXGBXAGGSA-N 476.780 3.213 70 10 JGIE O=S(=O)(Cl)c1cc(I)c(Br)c(OC(F)(F)F)n1 396162741 SZRHWAKFBYXREL-UHFFFAOYSA-N 466.400 3.275 70 10 JGIE COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1cc(OC)ccc1Br 217897509 SZPDPVFRAFKDJU-GUYCJALGSA-N 452.276 3.432 70 10 JGIE CCCOc1ccc(S(=O)(=O)N2C[C@@H](Oc3ccccc3F)C[C@@H]2C(=O)OC)cc1C 217995858 LFMOGOAXRRXPAF-QFBILLFUSA-N 451.516 3.307 70 10 JGIE O=S(=O)(Cl)c1cc(Br)c(OC(F)(F)F)nc1I 396146889 BTNHPCIZCYQFEZ-UHFFFAOYSA-N 466.400 3.275 70 10 JGIE COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1cc(OC)ccc1Br 217897375 SZPDPVFRAFKDJU-SUMWQHHRSA-N 452.276 3.432 70 10 JGIE COCCn1c(-c2csc(Br)c2Br)nnc1S(=O)(=O)Cl 2150374516 PCHDHVIAPRTYKD-UHFFFAOYSA-N 465.576 3.106 70 10 JGIE O=C(NCCn1nc(-c2ccncc2)c2c1CCCC2)c1ccc(S(=O)(=O)N2CCCC2)cc1 217457790 OBHIAYOLWHYRSJ-UHFFFAOYSA-N 479.606 3.038 70 10 JGIE COc1ccc(NC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1OC 217267380 LEVAMLMQRFARBT-UHFFFAOYSA-N 455.920 3.022 70 10 JGIE O=C(NC[C@H]1CCCN1c1nccs1)c1cccc(NS(=O)(=O)c2cccc(F)c2)c1 217745956 YPCCCEMGKKDHED-GOSISDBHSA-N 460.556 3.482 70 10 JGIE O=S(=O)(c1ccc(Br)s1)N1CCN(Cc2noc(-c3ccccc3)n2)CC1 217094268 MDYQMKXODWGDHN-UHFFFAOYSA-N 469.386 3.067 70 10 JGIE Cc1cc(NC(=O)[C@H]2C[C@@H]2Br)c(I)cc1S(=O)(=O)Cl 2231933226 SEYGPQXNWOURCB-BQBZGAKWSA-N 478.533 3.249 70 10 JGIE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)N2CCC[C@@H](S(=O)(=O)F)C2)C1 2124724939 XDTXFWITAGWEIB-XXBNENTESA-N 484.590 3.121 70 10 JGIE COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1c2ccc(Br)cc2nn1C 217921093 RGFWHIGCWAIVPN-GUYCJALGSA-N 476.302 3.310 70 10 JGIE O=C(Nc1cnn(C[C@H]2COc3ccccc3O2)c1)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 218251963 FDVSMFUWJVGGJX-KXBFYZLASA-N 497.349 3.477 70 10 JGIE O=S(=O)(Cl)c1cc(I)nc(I)c1C(F)F 238594382 FWNKHCHYOBFYFC-UHFFFAOYSA-N 479.411 3.156 70 10 JGIE O=S(=O)(Cl)c1cc(I)cc(OC(F)F)c1I 2055332221 XYMYFVNFUUWYNG-UHFFFAOYSA-N 494.422 3.425 70 10 JGIE O=S(=O)(Cl)c1cc(I)c(C(F)F)c(I)n1 238589588 RZCZVNWAEPZLIJ-UHFFFAOYSA-N 479.411 3.156 70 10 JGIE O=S(=O)(Cl)c1cnc(Br)c(I)c1OC(F)(F)F 396151501 FDOMHWNGCOSLLH-UHFFFAOYSA-N 466.400 3.275 70 10 JGIE CC(C)(C)OC(=O)Nc1cc(Br)cc(C(=O)N2CC[C@@H](S(=O)(=O)F)C2)c1 2124723998 LNVOOIWKYPWGGM-CYBMUJFWSA-N 451.314 3.310 70 10 JGIE CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)S(=O)(=O)c2ccc(S(=O)(=O)F)cc2)C1 2044537089 UDAZJPBLWTXJFT-UHFFFAOYSA-N 484.571 3.155 70 10 JGIE COc1ccc(N2C[C@@H](C(=O)NCCn3nc(-c4ccccn4)c4c3CCCC4)CC2=O)cc1 217493876 BXJFKVVSQPOPTR-SFHVURJKSA-N 459.550 3.002 70 10 JGIE C[C@@H](CC[S@@](C)=O)NC(=O)c1csc(S(=O)(=O)Cl)c1OCc1ccccc1 2156359396 WOOGDQOJUWRIEK-GWQKEKGPSA-N 450.003 3.142 70 10 JGIE F[B-](F)(F)c1cnc(N2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)c(Br)c1 2172758060 LCYFESGEGFGMTI-MSOLQXFVSA-N 455.107 3.378 70 10 JGIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)[C@H]3CC(=O)N(C(C)C)C3)cc2)cc1 216628664 JDKPRESREVIUQD-IBGZPJMESA-N 467.522 3.347 70 10 JGIE O=S(=O)(Cl)c1cc(Br)ccc1OCc1ncc(I)cn1 2381623148 SWDFAIFOVQIJLG-UHFFFAOYSA-N 489.516 3.350 70 10 JGIE O=S(=O)(Cl)c1cc(I)c(I)c(C(F)F)n1 238614462 LXRVBJQKKOKJNM-UHFFFAOYSA-N 479.411 3.156 70 10 JGIE Cc1ccc(C)c(OCNC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1C 217295557 RUMMBDLOQLBNJQ-UHFFFAOYSA-N 467.975 3.444 70 10 JGIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)[C@H]3CC(=O)N(C(C)C)C3)cc2)cc1 216628791 VTCDXZUVURMMKB-IBGZPJMESA-N 467.522 3.347 70 10 JGIE O=S(=O)(Cl)c1nc(Br)cc(OC(F)(F)F)c1I 396174617 VVYQGRVECIXDHZ-UHFFFAOYSA-N 466.400 3.275 70 10 JGIE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC(S(=O)(=O)F)C1 1992831134 LFYLFQMANUNFQN-QRQCRPRQSA-N 474.554 3.450 70 10 JGIE Cc1cc(Br)c(C(=O)N2CC(CS(=O)(=O)F)C2)cc1NC(=O)OC(C)(C)C 2199686850 RYKSIYDUPMKQLN-UHFFFAOYSA-N 465.341 3.476 70 10 JGIE O=S(=O)(Cl)c1cc(I)nc(Br)c1OC(F)(F)F 396189641 ZKPYDBSMJXSEKX-UHFFFAOYSA-N 466.400 3.275 70 10 JGIE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)N2CCC(S(=O)(=O)F)CC2)C1 2124724855 VXAJVOYBFGTWMZ-HSZRJFAPSA-N 484.590 3.121 70 10 JGIE Cc1cc(C)c(C)c(S(=O)(=O)NCCC(=O)NC[C@@H]2CCCN(c3nccs3)C2)c1C 218135007 YLIMWGDUHXPZMU-IBGZPJMESA-N 464.657 3.078 70 10 JGIE CC(C)(C)OC(=O)NC1(CC(=O)N2CC(CCS(=O)(=O)F)C2)CCN(Cc2ccccc2)CC1 2199696966 IUZZCNPNCIWUGD-UHFFFAOYSA-N 497.633 3.084 70 10 JGIE COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1cc(OC)ccc1Br 217897313 SZPDPVFRAFKDJU-CXAGYDPISA-N 452.276 3.432 70 10 JGIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)[C@H]3CC(=O)N(C(C)C)C3)c2)cc1 216679981 FJRDYVBQMVIKBP-IBGZPJMESA-N 467.522 3.347 70 10 JGIE COc1ccc(C(=O)NCC2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc1OC 216866723 HRNJQCXDTPHTJR-UHFFFAOYSA-N 472.538 3.012 70 10 JGIE COc1cc(-c2cc(C(=O)Nc3cnn(C[C@@H]4COc5ccccc5O4)c3)[nH]n2)cc(OC)c1OC 218275770 RGCQAINRPKKQGN-QGZVFWFLSA-N 491.504 3.391 70 10 JGIE O=CN/N=C(\c1ccc(OC(F)(F)F)cc1)c1ccc(OS(=O)(=O)C(F)(F)F)cc1 1616045959 FFLVVODKMGMWJI-ZVHZXABRSA-N 456.320 3.312 70 10 JGIE C[S@](=O)CCCCNC(=O)c1csc(S(=O)(=O)Cl)c1OCc1ccccc1 2166650721 KUTSDQXXHGKMJE-SANMLTNESA-N 450.003 3.143 70 10 JGIE O=C(CCCOc1ccc(Br)cc1Cl)N1CCN(C(=O)C(F)(F)F)CC1 216711538 PWSNZKRLDCUZGW-UHFFFAOYSA-N 457.674 3.495 70 10 JGIE CCOc1c(I)cc(I)cc1S(=O)(=O)Cl 2060121521 UJGBYKXVPIVQGL-UHFFFAOYSA-N 472.469 3.222 70 10 JGIE O=S(=O)(Cl)c1cc(Br)c(I)c(OC(F)(F)F)n1 396149201 FWYCMOSSGPOBQJ-UHFFFAOYSA-N 466.400 3.275 70 10 JGIE COc1ccc(C(=O)NC2CCN(C(=O)Cc3cccc(Br)c3)CC2)cc1OC 216892246 MYSHSNLCDGZVFH-UHFFFAOYSA-N 461.356 3.430 70 10 JGIE O=S(=O)(Cl)CCOCCOCc1ccc(I)c(Br)c1 2350076101 BAVKZKTXRPATBN-UHFFFAOYSA-N 483.549 3.156 70 10 JGIE O=C(NCC1CCN(C(=O)C(F)(F)F)CC1)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 216728579 LLYSAXJQPJZUIR-UHFFFAOYSA-N 465.472 3.146 70 10 JGIE COc1ccc(C(=O)NC2CCN(C(=O)c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)CC2)cc1OC 216887861 RNSRLRXPHKVWHD-UHFFFAOYSA-N 493.560 3.133 70 10 JGIE O=S(=O)(Cl)c1c(OC(F)(F)F)cnc(Br)c1I 396150859 DSTHBOJLTZPFMW-UHFFFAOYSA-N 466.400 3.275 70 10 JGIE O=C(NCc1ccc(C(=O)c2ccsc2)s1)C(=O)Nc1cc2c3c(c1)CCN3C(=O)CC2 217293888 PTVVZQYCSQNUBB-UHFFFAOYSA-N 465.556 3.131 70 10 JGIE CC(C)(C)c1ccc(OCCCNC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 217299625 OQDRRTYAPYVPQB-UHFFFAOYSA-N 459.612 3.469 70 10 JGIE O=C(Nc1ccccc1I)N1CCN(Cc2ccc3c(c2)OCO3)CC1 217273126 MBBJVYOPUBZZAI-UHFFFAOYSA-N 465.291 3.370 70 10 JGIE COc1cc(/C=C/C(=O)Nc2cnn(C[C@H]3COc4ccccc4O3)c2)cc(OC)c1OC 218263830 JGOHPKCQLBNODS-BLGFXRMMSA-N 451.479 3.401 70 10 JGIE O=C1c2cc(OS(=O)(=O)C(F)(F)F)ccc2-c2ccc(OS(=O)(=O)C(F)(F)F)cc21 1615946845 BQTOJXAORHMZLV-UHFFFAOYSA-N 476.328 3.355 70 10 JGIE C[C@@H](CC[S@](C)=O)NC(=O)c1csc(S(=O)(=O)Cl)c1OCc1ccccc1 2156359399 WOOGDQOJUWRIEK-QDXKXIGTSA-N 450.003 3.142 70 10 JGIE COCCn1c(-c2scc(Br)c2Br)nnc1S(=O)(=O)Cl 705524544 CZUPYQVAXJRXQH-UHFFFAOYSA-N 465.576 3.106 70 10 JGIE O=S(=O)(Cl)c1cc(I)cc(I)c1OC(F)F 2055322255 CIUVWZDDLTWYNP-UHFFFAOYSA-N 494.422 3.425 70 10 JGIE COCCCN1C(=O)c2ccc(NC(=O)NCCc3ccccc3Br)cc2C1=O 217281053 WGPLOORJKIUWOS-UHFFFAOYSA-N 460.328 3.446 70 10 JGIE CCc1c(I)ccc(S(=O)(=O)Cl)c1I 2060140858 GMDJLQLYBFQPKG-UHFFFAOYSA-N 456.470 3.386 70 10 JGIE COc1ccc(C(=O)N2CCC(NC(=O)c3ccccc3I)CC2)cc1OC 216887070 QKISBSFBWZEBSA-UHFFFAOYSA-N 494.329 3.343 70 10 JGIE O=S(=O)(Cl)c1ccc(I)c(OC(F)F)c1I 2055328821 LSTQKIIUWYSFSG-UHFFFAOYSA-N 494.422 3.425 70 10 JGIE O=S(=O)(Cl)c1cc(Cl)c(I)c(I)c1 2060084450 TWXGKXGRILPAOX-UHFFFAOYSA-N 462.861 3.477 70 10 JGIE COc1ccc(C(=O)N2CCC(NC(=O)Cc3ccccc3Br)CC2)cc1OC 216891800 LFNKIGBGJCKSFL-UHFFFAOYSA-N 461.356 3.430 70 10 JGIE CCN(C(=O)NCCCOc1ccc(Br)cc1Cl)[C@H]1CCS(=O)(=O)C1 217299046 PSSOKJRQFCLQDW-ZDUSSCGKSA-N 453.786 3.090 70 10 JGIE O=C(CCNS(=O)(=O)c1c(Cl)cccc1Cl)NC[C@H]1CCCN(c2nccs2)C1 218133353 HOWKDRIXTVUJNG-CYBMUJFWSA-N 477.439 3.151 70 10 JGIE COc1ccc(/C=C/NC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 218154080 BAJYGUZQPBFIIY-CMDGGOBGSA-N 451.932 3.162 70 10 JGIE O=S(=O)(Cl)c1nc(Br)c(OC(F)(F)F)cc1I 396150850 DRIAGIVTTYXSMZ-UHFFFAOYSA-N 466.400 3.275 70 10 JGIE CC(C)(C)OC(=O)Nc1cc(I)cc(C(=O)N2CC[C@@H](S(=O)(=O)F)C2)c1 2124725893 CCTPDGKIYKNLHZ-CYBMUJFWSA-N 498.314 3.152 70 10 JGIE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)Nc1ccc(S(=O)(=O)F)nc1 2060812763 BQSQOSDCPKADGB-KRWDZBQOSA-N 467.519 3.179 70 10 JGIE Cc1ccc(S(=O)(=O)N2CCN(C(=O)N/C=C/c3ccc(Br)cc3)CC2)cc1 218291632 QPGPLGVOZGWNHX-ZHACJKMWSA-N 464.385 3.444 70 10 JGIE CC(C)(C)OC(=O)NC1(C(=O)Nc2ccc(S(=O)(=O)F)nc2)CCN(Cc2ccccc2)CC1 2181143810 MERPSBCVWNECAH-UHFFFAOYSA-N 492.573 3.238 70 10 JGIE O=S(=O)(Cl)c1cnc(OC(F)(F)F)c(I)c1Br 396163773 VMCQDFGLBWPBLQ-UHFFFAOYSA-N 466.400 3.275 70 10 JGIE F[B-](F)(F)c1cnc(N2CC[C@]3(CN(Cc4ccccc4)CCO3)C2)c(Br)c1 2172764325 BEJBOKUJUOWENC-IBGZPJMESA-N 455.107 3.380 70 10 JGIE Cc1cccc(S(=O)(=O)NC2(C(=O)NC[C@H]3CCCN3c3nccs3)CCCCC2)c1 217744005 SNRMRGIBWXCXOX-GOSISDBHSA-N 462.641 3.218 70 10 JGIE O=C(CCOc1c(Br)cc(S(=O)(=O)Cl)cc1Br)NC1CC1 215852269 XCWNXOHBAWBAFU-UHFFFAOYSA-N 461.559 3.187 70 10 JGIE CCc1cc(I)c(S(=O)(=O)Cl)cc1I 2060146458 RAJWWYUVYXUCLI-UHFFFAOYSA-N 456.470 3.386 70 10 JGIE O=S(=O)(Cl)c1cnc(I)c(I)c1C(F)F 238587780 GQPAVMRKWRYCMR-UHFFFAOYSA-N 479.411 3.156 70 10 JGIE O=S(=O)(Cl)c1cnc(C(F)F)c(I)c1I 238650537 YWAUGAYIWBWMNS-UHFFFAOYSA-N 479.411 3.156 70 10 JGIE O=S(=O)(Cl)c1ncc(OC(F)(F)F)c(Br)c1I 396149807 GSYRLGYSLKNWBL-UHFFFAOYSA-N 466.400 3.275 70 10 JGIE CCOC(=O)Oc1ccc(C(=O)NCCCNC(=O)c2ccc(OC(=O)OCC)cc2)cc1 216697352 JZKGHBZEKMYELI-UHFFFAOYSA-N 458.467 3.307 70 10 JGIE COc1ccc(C(=O)NCC2CCN(C(=O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)CC2)cc1OC 216869904 OIZBOLPMMLXHIQ-AUSIDOKSSA-N 493.604 3.282 70 10 JGIE CCCCS(=O)(=O)Nc1cc(C)c(S(=O)(=O)Cl)cc1I 2240626624 OTHACYSOUMMAPM-UHFFFAOYSA-N 451.735 3.069 70 10 JGIE O=C(NCc1ccc(C(=O)c2ccco2)s1)C(=O)Nc1cc2c3c(c1)CCC(=O)N3CCC2 217293115 WBNWLHKZEUQROX-UHFFFAOYSA-N 463.515 3.052 70 10 JGIE Cc1cccc(N2CCN(C(=O)NCCCN3C(=O)c4ccc(Br)cc4C3=O)CC2)c1 217306663 OILVQEADIVQNTJ-UHFFFAOYSA-N 485.382 3.275 70 10 JGIE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@@H](S(=O)(=O)F)C2)cc1I 2124727375 KJBOYAHCEIBXGE-LLVKDONJSA-N 498.314 3.152 70 10 JGIE COC(=O)c1ccc(C(=O)OC)c(NC(=O)Nc2ccc3c(c2)C(=O)N(CC(C)C)C3=O)c1 217279636 FNWFUGVYKJJFAB-UHFFFAOYSA-N 453.451 3.156 70 10 JGIE Cn1cc(S(=O)(=O)F)c(NC(=O)CCCN(Cc2ccccc2)C(=O)OC(C)(C)C)n1 2010539964 ZWJCBZHPHAKPEZ-UHFFFAOYSA-N 454.524 3.234 70 10 JGIE Cc1cccc(S(=O)(=O)NC2(C(=O)NC[C@H]3CCCN(c4nccs4)C3)CCCCC2)c1 218134094 VCGUPMZABAXSBB-LJQANCHMSA-N 476.668 3.466 70 10 JGIE COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1cccc(I)c1 217966054 MJULHNOPZGAGCO-ZBFHGGJFSA-N 469.250 3.265 70 10 JGIE C=CCOC(=O)c1sc(NC(=O)c2cccc(S(=O)(=O)F)c2)c(C(=O)OCC)c1C 1524507954 DTDSVZQQDDYWCJ-UHFFFAOYSA-N 455.485 3.487 70 10 JGIE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC(CS(=O)(=O)F)C1 1992825891 CKNZRRMGEXXHND-JOCHJYFZSA-N 474.554 3.307 70 10 JGIE COc1ccc(C(=O)N2CCC(CNC(=O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)CC2)cc1OC 216870024 KNNGRBRQGYUQOO-AUSIDOKSSA-N 493.604 3.282 70 10 JGIE COc1cc(-c2cc(C(=O)NC[C@@H]3CCCN(c4nccs4)C3)[nH]n2)cc(OC)c1OC 218163559 VIWJRTCBROVTHK-AWEZNQCLSA-N 457.556 3.205 70 10 JGIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)[C@@H]3CC(=O)N(C(C)C)C3)cc2)cc1 216628842 VTCDXZUVURMMKB-LJQANCHMSA-N 467.522 3.347 70 10 JGIE O=S(=O)(Cl)c1nc(C(F)F)cc(I)c1I 238683462 GCNTYHVTHYJGFJ-UHFFFAOYSA-N 479.411 3.156 70 10 JGIE 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O=C1OC2(CCN(C(=O)CCNS(=O)(=O)c3c(Cl)cccc3Cl)CC2)c2ccccc21 217519942 FQIJGQZCPDPEEJ-UHFFFAOYSA-N 483.373 3.350 70 10 JGIE Cc1ccc(S(=O)(=O)N2CCN(C(=O)N/C=C/c3cccc(Br)c3)CC2)cc1 218094054 JEQPURSKXLXSHM-MDZDMXLPSA-N 464.385 3.444 70 10 JGIE CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cnn(C[C@@H]3COc4ccccc4O3)c2)cc1 218267860 AHRCUMHIMIFWNC-LJQANCHMSA-N 470.551 3.006 70 10 JGIE CCn1ncnc1COc1c(Br)cc(S(=O)(=O)Cl)cc1Br 116019433 RTNFJAIGXSKRMI-UHFFFAOYSA-N 459.547 3.330 70 10 JGIE CCN(CCc1ccncc1)C(=O)NCCCN1C(=O)c2ccc(Br)cc2C1=O 217306599 QVTRMHMPMXSKKP-UHFFFAOYSA-N 459.344 3.104 70 10 JGIE Cn1cc(I)c(COc2ccc(S(=O)(=O)Cl)cc2Br)n1 2367527128 PQEUAFKNDJCVDY-UHFFFAOYSA-N 491.532 3.294 70 10 JGIE CCOc1ccc(CCC(=O)N2CCC(NC(=O)c3ccc(OC)c(OC)c3)CC2)cc1OC 216891114 FKCKSQGNARJUJM-UHFFFAOYSA-N 470.566 3.465 70 10 JGIE CC(C)(C)OC(=O)N1CCN(c2cc(I)cc(CS(=O)(=O)F)c2)CC1 1887506199 RKBXVIRHGBOOMZ-UHFFFAOYSA-N 484.331 3.148 70 10 JGIE COc1cc(/C=C/C(=O)Nc2cnn(C[C@@H]3COc4ccccc4O3)c2)cc(OC)c1OC 218263807 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CC(C)(C)N1C(=O)c2ccc(NC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2C1=O 217280605 SCZUKQBMIOJNHA-UHFFFAOYSA-N 464.522 3.160 70 10 JGIE COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1cc(-c2cc(OC)ccc2OC)nn1C 217899670 ANMGLYDIQKSURQ-IIBYNOLFSA-N 483.496 3.079 70 10 JGIE COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)CCc1ccc(OC)c(OC)c1OC 217917244 RAKUGUVRHZFQJD-FUHWJXTLSA-N 461.486 3.006 70 10 JGIE CCOc1ccccc1OCC(=O)NCC1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 216870465 ZFIBAQIWXCQIPZ-UHFFFAOYSA-N 456.539 3.150 70 10 JGIE Cc1c(CN2CCN(C(=O)OC(C)(C)C)CC2)c(C)c([B-](F)(F)F)c(C)c1OS(=O)(=O)F 1887516000 YJDTWUVCPOQNFH-UHFFFAOYSA-N 483.313 3.312 70 10 JGIE COc1ccc(C(=O)N2CCCN(C(=O)c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)CC2)cc1OC 216857841 KKFBQQQAYJJLGM-UHFFFAOYSA-N 493.560 3.087 70 10 JGIE CC(C)NC(=O)CCOc1c(Br)cc(S(=O)(=O)Cl)cc1Br 215862722 PJSJOBBDXZQGES-UHFFFAOYSA-N 463.575 3.433 70 10 JGIE CCOC(=O)C1(c2cc(-c3cccc(O)c3)c(C#N)c(OS(=O)(=O)C(F)(F)F)n2)CC1 95540891 SRTCGLFWOXRVCI-UHFFFAOYSA-N 456.398 3.149 70 10 JGIE CCN(CC)S(=O)(=O)c1ccc(C(=O)NCCn2nc(C(F)(F)F)c3c2CCCC3)cc1 217532869 CYKVMENAHGQONV-UHFFFAOYSA-N 472.533 3.241 70 10 JGIE COc1cc(-c2cc(C(=O)N3CCC4(CC3)OC(=O)c3ccccc34)[nH]n2)cc(OC)c1OC 217536747 HGQWANSPGKAJPM-UHFFFAOYSA-N 463.490 3.404 70 10 JGIE COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1S(=O)(=O)Cc1cccc(C(F)(F)F)c1 218008003 OHUKHUZTCGZIRT-NVXWUHKLSA-N 461.433 3.369 70 10 JGIE O=S(=O)(Nc1cnn(C[C@H]2COc3ccccc3O2)c1)c1ccc(OC(F)(F)F)cc1 218296753 KEKMEYVIHZRKLM-HNNXBMFYSA-N 455.414 3.423 70 10 JGIE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(S(=O)(=O)F)nc1 2060818488 QEBMOHONZLFBRG-KBXCAEBGSA-N 467.519 3.177 70 10 JGIE CCOc1ccc(CCNC(=O)Nc2ccc3c(c2)C(=O)N(CCCOC)C3=O)cc1OCC 217280940 DHYLTYFTOIQXOY-UHFFFAOYSA-N 469.538 3.481 70 10 JGIE COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1S(=O)(=O)c1ccc(OC(F)(F)F)cc1 217996616 YZBZSWNJGDYOLF-XJKSGUPXSA-N 463.405 3.108 70 10 JGIE F[B-](F)(F)c1cnc(N2CC[C@H]3COC[C@@H](C2)N3Cc2ccccc2)c(Br)c1 2204518466 WVZSJNVQIQTUQX-DLBZAZTESA-N 455.107 3.378 70 10 JGIE 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ABLSKBJCGCNOBH-GWQKEKGPSA-N 450.003 3.142 70 10 JGIE CC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)N2CCC3(CC2)OC(=O)c2ccccc23)cc1 217521293 CIBOEQCNMBKJBV-UHFFFAOYSA-N 470.591 3.341 70 10 JGIE Cc1c(CN2CCN(C(=O)OC(C)(C)C)CC2)cc(S(=O)(=O)F)cc1B1OC(C)(C)C(C)(C)O1 1887520311 XAPGJBIVVZSTRH-UHFFFAOYSA-N 498.426 3.005 70 10 JGIE O=C(CCN1C(=O)c2ccc(Br)cc2C1=O)N1CC=C(c2ccc(O)cc2)CC1 216852589 ADTPUGAZQLOBLC-UHFFFAOYSA-N 455.308 3.457 70 10 JGIE COc1cc(NC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc(OC)c1OC 217268238 DWILHWPZSNELBE-UHFFFAOYSA-N 485.946 3.031 70 10 JGIE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC(S(=O)(=O)F)C1 1992831033 LFYLFQMANUNFQN-OYHNWAKOSA-N 474.554 3.450 70 10 JGIE O=C(NC1(C(=O)N2CCC[C@@H](S(=O)(=O)F)C2)CC1)OCC1c2ccccc2-c2ccccc21 1902364184 HLVZOQFHCUASQW-MRXNPFEDSA-N 472.538 3.348 70 10 JGIE O=S(=O)(F)c1ccc(OCc2ncc(I)cn2)c(Br)c1 2381618256 CGEPITBSRFHYEY-UHFFFAOYSA-N 473.061 3.081 70 10 JGIE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)N2CCC[C@H](S(=O)(=O)F)C2)C1 2124724937 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CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@H](S(=O)(=O)F)C2)cc1Br 2124724886 WJIYNJOPFOMXRH-NSHDSACASA-N 451.314 3.310 70 10 JGIE COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1S(=O)(=O)c1ccc(Br)s1 217996993 MMTUCIJFVXJOQL-CMPLNLGQSA-N 464.334 3.033 70 10 JGIE O=S(=O)(Cl)c1ncc(I)c(Br)c1OC(F)(F)F 396162724 SXKGRMMMNIAGTI-UHFFFAOYSA-N 466.400 3.275 70 10 JGIE COc1cc(NC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc(OC)c1 217273891 JOKMRGFCPLNPOF-UHFFFAOYSA-N 455.920 3.022 70 10 JGIE C[C@H](CCNC(=O)c1csc(S(=O)(=O)Cl)c1OCc1ccccc1)[S@](C)=O 2156356447 ABLSKBJCGCNOBH-RYZVSIALSA-N 450.003 3.142 70 10 JGIE O=C(N/C=C/c1ccccc1Br)N1CCN(S(=O)(=O)c2ccccc2)CC1 217876347 ILSBKDYJLQSBRL-ZHACJKMWSA-N 450.358 3.136 70 10 JGIE NC(=S)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(I)cc2)c1 160846510 IQRMQEXRYKUHPR-UHFFFAOYSA-N 452.726 3.380 70 10 JGIE Cc1c(CN2CCN(C(=O)OC(C)(C)C)CC2)cc(OS(=O)(=O)F)c(C)c1[B-](F)(F)F 1887561530 OBNBZCWXESSYKL-UHFFFAOYSA-N 469.286 3.004 70 10 JGIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)cc1 216654480 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3.068 70 10 JGIE Cc1cc(C)c(C)c(S(=O)(=O)NCCC(=O)N2CCC[C@]3(C2)OC(=O)c2ccccc23)c1C 217574724 GNEVMEWOCDRDDJ-RUZDIDTESA-N 470.591 3.277 70 10 JGIE CCOC(=O)c1cc(S(=O)(=O)Cl)c(Br)cc1I 2026215848 CILGQYIYGCSADP-UHFFFAOYSA-N 453.479 3.158 70 10 JGIE Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCOc3ccc(Cl)cc3Cl)CC2)cc1 217297617 MHGDZOPXKKJZBE-UHFFFAOYSA-N 458.367 3.354 70 10 JGIE CCCn1c(C(=O)N2CCC3(CC2)OC(=O)c2ccccc23)cc2c(=O)n3ccccc3nc21 217524812 UIQMXXGFMVWDPS-UHFFFAOYSA-N 456.502 3.361 70 10 JGIE Cc1cc(C)c(C)c(S(=O)(=O)NCCC(=O)N2CCC[C@@]3(C2)OC(=O)c2ccccc23)c1C 217574818 GNEVMEWOCDRDDJ-VWLOTQADSA-N 470.591 3.277 70 10 JGIE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC(CCS(=O)(=O)F)C1 2243899923 NUOBWSSQQOTHCR-UHFFFAOYSA-N 474.554 3.452 70 10 JGIE O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)NC12CC3CC(CC(C3)C1)C2 217312709 SJDJCMUZCYOYBK-UHFFFAOYSA-N 453.992 3.451 70 10 JGIE O=S(=O)(Cl)c1cnn(Cc2ccc(I)c(Br)c2)c1 2325257765 BNZFLBIOLVPINM-UHFFFAOYSA-N 461.506 3.226 70 10 JGIE 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O=C(NC1(C(=O)N2CCC[C@H](S(=O)(=O)F)C2)CC1)OCC1c2ccccc2-c2ccccc21 1902364180 HLVZOQFHCUASQW-INIZCTEOSA-N 472.538 3.348 70 10 JGIE CC(C)(C)OC(=O)N1CCN(Cc2cc(I)cc([B-](F)(F)F)c2)CC1 1887511613 JRLCKSGVWPZFCF-UHFFFAOYSA-N 469.074 3.398 70 10 JGIE Cc1c(B2OC(C)(C)C(C)(C)O2)cc(CS(=O)(=O)F)cc1N1CCN(C(=O)OC(C)(C)C)CC1 1887520289 UZPMOVJSKYVUNJ-UHFFFAOYSA-N 498.426 3.151 70 10 JGIE COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1S(=O)(=O)c1ccc(OCC(C)C)cc1 217995594 MDHNBDAWHNCQKL-YLJYHZDGSA-N 451.516 3.244 70 10 JGIE COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1c2ccc(Br)cc2nn1C 217920846 RGFWHIGCWAIVPN-CXAGYDPISA-N 476.302 3.310 70 10 JGIE O=S(=O)(Cl)c1c(I)cc(C(F)F)nc1I 238684259 BADWDWRFULKNJI-UHFFFAOYSA-N 479.411 3.156 70 10 JGIE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)Nc1ccc(S(=O)(=O)F)nc1 2060812764 BQSQOSDCPKADGB-QGZVFWFLSA-N 467.519 3.179 70 10 JGIE O=S(=O)(Cl)c1c(I)ncc(I)c1C(F)F 238592285 ZBRNGVRBTUFSJD-UHFFFAOYSA-N 479.411 3.156 70 10 JGIE O=S(=O)(Cl)c1nc(C(F)F)c(I)cc1I 238613836 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COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1cc(-c2cccc(OC)c2)nn1C 217965012 TWFGKZZNMNXVIB-UWJYYQICSA-N 453.470 3.070 70 10 JGIE O=C(Nc1cnn(C[C@@H]2COc3ccccc3O2)c1)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 218252036 FDVSMFUWJVGGJX-HNAYVOBHSA-N 497.349 3.477 70 10 JGIE O=C(CCCN1C(=O)c2ccccc2C1=O)NCCn1nc(-c2ccccn2)c2c1CCCC2 217493308 RLCDXEFRTFKDBH-UHFFFAOYSA-N 457.534 3.017 70 10 JGIE CCCn1c(C(=O)N2C[C@H](Oc3ccccc3F)C[C@H]2C(=O)OC)cc2c(=O)n3ccccc3nc21 217921745 UCONITGLUNGLCA-UZLBHIALSA-N 492.507 3.033 70 10 JGIE COCCn1c(-c2cc(Br)sc2Br)nnc1S(=O)(=O)Cl 234671956 ZWUTXHTZLLCKQE-UHFFFAOYSA-N 465.576 3.106 70 10 JGIE O=S(=O)(Cl)c1c(I)cc(OC(F)F)cc1I 2055334473 ZEZQRABFVCPIRU-UHFFFAOYSA-N 494.422 3.425 70 10 JGIE CCOc1ccc(CNC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 217300849 LSYSIGIZWWIAGJ-UHFFFAOYSA-N 453.948 3.081 70 10 JGIE Cn1cc(I)c(COc2ccc(Br)cc2S(=O)(=O)F)n1 2367527883 XSRSSUWQJQYVLO-UHFFFAOYSA-N 475.077 3.024 70 10 JGIE Cc1cc(NS(=O)(=O)C(C)(C)C)c(I)cc1S(=O)(=O)Cl 2240635239 CBDZOIQXZRWTCK-UHFFFAOYSA-N 451.735 3.067 70 10 JGIE COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1cccc(I)c1 217965970 MJULHNOPZGAGCO-GOEBONIOSA-N 469.250 3.265 70 10 JGIE CCOc1c(I)cc(S(=O)(=O)Cl)cc1I 2060121079 NBJJKYKZAZTYNX-UHFFFAOYSA-N 472.469 3.222 70 10 JGIE CC[C@@H](C)NC(=O)COc1c(Br)cc(S(=O)(=O)Cl)cc1Br 215852739 FWHOPXZQFYLFJD-SSDOTTSWSA-N 463.575 3.433 70 10 JGIE COC(=O)c1ccc(C(=O)OC)c(NC(=O)Nc2ccc3c(c2)C(=O)N(C(C)(C)C)C3=O)c1 217280457 SVZMCKNRKODHGA-UHFFFAOYSA-N 453.451 3.298 70 10 JGIE COCCCN1C(=O)c2ccc(NC(=O)NC3CCN(Cc4ccccc4)CC3)cc2C1=O 217281019 QZTARMIZTOFKOK-UHFFFAOYSA-N 450.539 3.105 70 10 JGIE O=S(=O)(Cl)c1cc(OC(F)(F)F)c(I)nc1Br 396177220 DXYALKQPSRRDOW-UHFFFAOYSA-N 466.400 3.275 70 10 JGIE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)N2CCC[C@@H](S(=O)(=O)F)C2)C1 2124724936 XDTXFWITAGWEIB-AUSIDOKSSA-N 484.590 3.121 70 10 JGIE O=S(=O)(Cl)c1ccc(I)c(I)c1OC(F)F 2055324399 ZWGIWBOCALETBE-UHFFFAOYSA-N 494.422 3.425 70 10 JGIE COCCn1c(-c2cc(Br)ccc2Br)nnc1S(=O)(=O)Cl 161349133 HLIDAFRVUCLOPO-UHFFFAOYSA-N 459.547 3.044 70 10 JGIE CCCc1nc(NS(=O)(=O)CCCOCc2ccccc2)sc1S(=O)(=O)Cl 2154099549 GKPJBXVQAIWWPT-UHFFFAOYSA-N 453.007 3.372 70 10 JGIE COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1S(=O)(=O)Cc1ccc(C(F)(F)F)cc1 217998081 QQKVOSIHRITEJV-DOTOQJQBSA-N 461.433 3.369 70 10 JGIE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@H](S(=O)(=O)F)C1 1984694267 JESIENVPDRYPOT-ZHRRBRCNSA-N 474.554 3.450 70 10 JGIE O=C(N/C=C/c1ccc(Br)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 218291553 GEMPTAWLIHIPOL-ZHACJKMWSA-N 450.358 3.136 70 10 JGIE O=S(=O)(Cl)c1c(C(F)F)ncc(I)c1I 238647552 PEQBEKSUEQCNDI-UHFFFAOYSA-N 479.411 3.156 70 10 JGIE O=S(=O)(Cl)c1cc(OC(F)(F)F)c(Br)c(I)n1 396185406 UZEDCMWBTNLURH-UHFFFAOYSA-N 466.400 3.275 70 10 JGIE CCc1ccccc1OCNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 217309947 LQNWWUBWQUXTTF-UHFFFAOYSA-N 453.948 3.081 70 10 JGIE Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCc3cccc(Br)c3)CC2)cc1 217504832 DBAQNBWGZYYBBX-UHFFFAOYSA-N 466.401 3.016 70 10 JGIE O=C(Nc1ccccc1-c1cn2ccsc2n1)[C@H]1CCCCN1c1ccc(-n2cncn2)nn1 218569355 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217396941 HDZDCHXMAMPCNX-UHFFFAOYSA-N 466.401 3.016 70 10 JGIE O=C(NCCCN1C(=O)c2ccc(Br)cc2C1=O)Nc1ccc(Br)cn1 217306750 YUPTUWZXGCNWBO-UHFFFAOYSA-N 482.132 3.414 70 10 JGIE O=S(=O)(Cl)c1c(Br)cc(I)nc1OC(F)(F)F 396166805 ZOIMAQMTCZIOFE-UHFFFAOYSA-N 466.400 3.275 70 10 JGIE COCCCN1C(=O)c2ccc(NC(=O)NCCc3cccc(Br)c3)cc2C1=O 217281058 FTGNSRSLNSVXSX-UHFFFAOYSA-N 460.328 3.446 70 10 JGIE O=S(=O)(Cl)c1ccc(Cl)c(I)c1I 2060084314 QDFORZLJXGKEEI-UHFFFAOYSA-N 462.861 3.477 70 10 JGIE O=S(=O)(Cl)c1cc(I)c(I)c(OC(F)F)c1 2055332186 XNYZKIKISPQLME-UHFFFAOYSA-N 494.422 3.425 70 10 JGIE CC(C)(C)OC(=O)Nc1ccc(Br)c(C(=O)N2CC(CS(=O)(=O)F)C2)c1 2134972422 CXLMLALXHZRQHE-UHFFFAOYSA-N 451.314 3.167 70 10 JGIE COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1S(=O)(=O)c1ccc(OC(F)(F)F)cc1 217996525 YZBZSWNJGDYOLF-BBRMVZONSA-N 463.405 3.108 70 10 JGIE CSCCCOC(=O)c1cc(I)cc(S(=O)(=O)Cl)c1F 2287644856 NTBSLXDTWXLIKC-UHFFFAOYSA-N 452.694 3.268 70 10 JGIE O=C(NCc1ccccc1Br)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 217314281 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OLVGKIXLCRORPE-IBGZPJMESA-N 455.536 3.086 70 10 JGIE Cc1cc(S(=O)(=O)Cl)cc(Cl)c1NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 703980433 AIVIVAHCYCBZQT-UHFFFAOYSA-N 491.374 3.004 70 10 JGIE O=S(=O)(Cl)Oc1c(I)cc(Cl)cc1I 1885112035 ZMGQROSFGAONTI-UHFFFAOYSA-N 478.860 3.412 70 10 JGIE Cc1cc2ncc(CCCNC(=O)c3ccc(NS(=O)(=O)c4ccccc4F)cc3)cn2n1 218018221 HXQHNAIMNBWGDG-UHFFFAOYSA-N 467.526 3.340 70 10 JGIE O=S(=O)(Cl)c1cc(I)c(I)nc1C(F)F 238604451 FNJZAUZIFSUUJJ-UHFFFAOYSA-N 479.411 3.156 70 10 JGIE CCOC(=O)Oc1ccc(C(=O)NCCCNC(=O)Cc2ccc(Br)cc2)cc1 216707918 OIQUZNZMBDMSAE-UHFFFAOYSA-N 463.328 3.463 70 10 JGIE O=C(NCCCN1C(=O)c2ccc(Br)cc2C1=O)N1CCN(c2ccc(F)cc2)CC1 217306478 ANSCOMHNUOOAKT-UHFFFAOYSA-N 489.345 3.106 70 10 JGIE O=S(=O)(Cl)c1cc(C(F)F)c(I)nc1I 238692953 QRLUPTUKEMCHOO-UHFFFAOYSA-N 479.411 3.156 70 10 JGIE CCc1cc(I)c(I)cc1S(=O)(=O)Cl 2060137295 SUMZQILVMPGFOS-UHFFFAOYSA-N 456.470 3.386 70 10 JGIE O=S(=O)(Cl)c1cc(I)c(C(F)F)nc1I 238604805 XHZGOGXGRRQKFE-UHFFFAOYSA-N 479.411 3.156 70 10 JGIE CCOc1c(I)ccc(S(=O)(=O)Cl)c1I 2060129817 UYLDWRJVTVTIFK-UHFFFAOYSA-N 472.469 3.222 70 10 JGIE CC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)NC[C@@H]2CCCN(c3nccs3)C2)cc1 218135207 CHFSVDXDKBAVLE-KRWDZBQOSA-N 464.657 3.142 70 10 JGIE CCc1cc(I)c(I)c(S(=O)(=O)Cl)c1 2060136499 AOMKWEDPABMPMF-UHFFFAOYSA-N 456.470 3.386 70 10 JGIE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)F)cc1 2044538264 GCKPPIFHRPKNJQ-UHFFFAOYSA-N 486.587 3.451 70 10 JGIE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC(S(=O)(=O)F)C1 2243899042 CDRFHACGNDLNGF-JOCHJYFZSA-N 474.554 3.450 70 10 JGIE CCOC(=O)Oc1ccc(C(=O)NCCCNC(=O)c2ccc3c(c2)C(=O)N(CC(C)C)C3=O)cc1 216699837 MTLHWMKPZLYPFI-UHFFFAOYSA-N 495.532 3.024 70 10 JGIE O=S(=O)(Cl)c1nc(I)c(OC(F)(F)F)cc1Br 396158806 PSJCJPAMYRHUQV-UHFFFAOYSA-N 466.400 3.275 70 10 JGIE COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1S(=O)(=O)c1ccc(OC(F)(F)F)cc1 217996705 YZBZSWNJGDYOLF-CJNGLKHVSA-N 463.405 3.108 70 10 JGIE CCOc1ccc(I)c(S(=O)(=O)Cl)c1I 2060130101 BJNXSLLASDLDNX-UHFFFAOYSA-N 472.469 3.222 70 10 JGIE COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1cc(-c2cccc(OC)c2)nn1C 217964839 TWFGKZZNMNXVIB-LAUBAEHRSA-N 453.470 3.070 70 10 JGIE O=S(=O)(Cl)CCOCCOCc1cc(I)ccc1Br 2341548790 BGWOJNHLANXKPD-UHFFFAOYSA-N 483.549 3.156 70 10 JGIE COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)n[nH]1 217963257 JKVXYWBGKYEUJR-KXBFYZLASA-N 499.495 3.077 70 10 JGIE O=S(=O)(Cl)c1cc(OC(F)(F)F)nc(Br)c1I 396175384 YFAXEQTVFHDPSF-UHFFFAOYSA-N 466.400 3.275 70 10 JGIE O=S(=O)(Cl)c1c(Br)cnc(I)c1OC(F)(F)F 396148599 FECKQAWXYGOOGE-UHFFFAOYSA-N 466.400 3.275 70 10 JGIE COc1ccc(C(=O)NCC2CCN(C(=O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)CC2)cc1OC 216869850 OIZBOLPMMLXHIQ-WMZHIEFXSA-N 493.604 3.282 70 10 JGIE CC(C)(C)OC(=O)NC1(CC(=O)N2CCC[C@H](S(=O)(=O)F)C2)CCN(Cc2ccccc2)CC1 2181142175 SYHGIZQCBBGKFK-FQEVSTJZSA-N 497.633 3.226 70 10 JGIE O=C(CN1C(=O)c2ccc(Br)cc2C1=O)Nc1ccc(NC(=O)C(F)(F)F)cc1 216757056 HKCWNLKTPMVYRO-UHFFFAOYSA-N 470.201 3.185 70 10 JGIE CCn1cc(C(=O)NCCn2nc(-c3ccncc3)c3c2CCCC3)c(=O)c2ccc(C)nc21 217456098 NOUOTRJZTBEBBM-UHFFFAOYSA-N 456.550 3.292 70 10 JGIE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@@H]2C[C@]2([B-](F)(F)F)C1 2364202654 VIJVGDGDSHOZDS-QRWLVFNGSA-N 457.303 3.486 70 10 JGIE COc1ccc(C(=O)NC2CCN(C(=O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)CC2)cc1OC 216888597 UCNGJNASKABOHX-GHTZIAJQSA-N 479.577 3.034 70 10 JGIE O=S(=O)(Cl)c1cc(I)c(I)cc1Cl 2060091137 SGKSXOVNTPZNRT-UHFFFAOYSA-N 462.861 3.477 70 10 JGIE CC(C)N(C)C(=O)COc1c(Br)cc(S(=O)(=O)Cl)cc1Br 215862269 BCQRBVAWYWESRT-UHFFFAOYSA-N 463.575 3.385 70 10 JGIE O=C(Nc1cnn(C[C@@H]2COc3ccccc3O2)c1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 218270711 IUOSVYYSTNOBLF-HNAYVOBHSA-N 452.898 3.368 70 10 JGIE CC(C)(C)OC(=O)NCCN(Cc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)F)cc1 1964006407 UYNAENOSYXIFNS-UHFFFAOYSA-N 472.560 3.060 70 10 JGIE O=S(=O)(Cl)c1c(Br)ncc(I)c1OC(F)(F)F 396174606 VTUTVZBCYMDGBE-UHFFFAOYSA-N 466.400 3.275 70 10 JGIE O=C(NCCc1ccc(S(=O)(=O)Cl)s1)c1ccc(I)cc1 59082079 PNPPOGBNCBKIJD-UHFFFAOYSA-N 455.726 3.253 70 10 JGIE CCc1c(S(=O)(=O)Cl)ccc(I)c1I 2060146903 XDUNYRUCHQSAOJ-UHFFFAOYSA-N 456.470 3.386 70 10 JGIE COc1ccc(NC(=O)NCCCN2C(=O)c3ccc(Br)cc3C2=O)cc1OC 217306357 KYNKMELKRQMIPC-UHFFFAOYSA-N 462.300 3.274 70 10 JGIE COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1cc(-c2cc(OC)ccc2OC)nn1C 217899910 ANMGLYDIQKSURQ-KKSFZXQISA-N 483.496 3.079 70 10 JGIE O=S(=O)(Cl)c1c(I)ncc(OC(F)(F)F)c1Br 396152873 JWARIHSNSJSDHE-UHFFFAOYSA-N 466.400 3.275 70 10 JGIE Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCCOc3ccccc3Cl)CC2)cc1 217300235 CWYLKNCNYKVJRN-UHFFFAOYSA-N 451.976 3.133 70 10 JGIE O=S(=O)(Cl)c1c(I)cnc(C(F)F)c1I 238647875 BZLPBJBYVYUZDR-UHFFFAOYSA-N 479.411 3.156 70 10 JGIE CC1(C)C[C@@H](NC(=O)c2[nH]nc(Br)c2S(=O)(=O)Cl)[C@@H]1OCc1ccccc1 2190744732 MIZRPAOPAOJHQS-RISCZKNCSA-N 476.780 3.213 70 10 JGIE Cc1cc(NC(=O)[C@H]2C[C@H]2Br)c(I)cc1S(=O)(=O)Cl 2231933227 SEYGPQXNWOURCB-NKWVEPMBSA-N 478.533 3.249 70 10 JGIE CCN(CC)S(=O)(=O)c1ccc(C(=O)NCCn2nc(-c3ccccn3)c3c2CCCC3)cc1 217495027 GBEPKRHDVNSBQU-UHFFFAOYSA-N 481.622 3.284 70 10 JGIE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)Nc2ccc(S(=O)(=O)F)nc2)C1 2268834129 MYPNIBHDLWWAHN-UHFFFAOYSA-N 479.530 3.132 70 10 JGIE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)N2CCC[C@H](S(=O)(=O)F)C2)C1 2124724938 XDTXFWITAGWEIB-WMZHIEFXSA-N 484.590 3.121 70 10 JGIE O=C(Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 217281488 YLMOASBIKXBSAB-UHFFFAOYSA-N 496.589 3.154 70 10 JGIE Cn1cc(S(=O)(=O)F)c(NC(=O)CCCNC(=O)OCC2c3ccccc3-c3ccccc32)n1 2248878488 WXBUQLUCDUTBDL-UHFFFAOYSA-N 486.525 3.336 70 10 JGIE CCOC(=O)c1cc(Br)c(I)c(S(=O)(=O)Cl)c1 59262169 IUNBBPSKAWWYAN-UHFFFAOYSA-N 453.479 3.158 70 10 JGIE O=S(=O)(Cl)c1nc(OC(F)(F)F)c(Br)cc1I 396163828 VTFDDXFQLHWNRT-UHFFFAOYSA-N 466.400 3.275 70 10 JGIE O=C(CN1C(=O)c2ccc(Br)cc2C1=O)Nc1ccccc1NC(=O)C(F)(F)F 216780929 QRIGYOOIPIOPCM-UHFFFAOYSA-N 470.201 3.185 70 10 JGIE COc1ccc(C(=O)NC2CCN(C(=O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)CC2)cc1OC 216888548 UCNGJNASKABOHX-RXVVDRJESA-N 479.577 3.034 70 10 JGIE CCOc1cc(I)c(I)c(S(=O)(=O)Cl)c1 2060124996 GVVXOSVBFBANNH-UHFFFAOYSA-N 472.469 3.222 70 10 JGIE COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1cc(-c2cccc(OC)c2)nn1C 217964759 TWFGKZZNMNXVIB-DYESRHJHSA-N 453.470 3.070 70 10 JGIE CCC(=O)Nc1ccc(S(=O)(=O)Nc2cnn(C[C@H]3COc4ccccc4O3)c2)c(C)c1 218302660 WMSUOSQJIIYHSS-SFHVURJKSA-N 456.524 3.181 70 10 JGIE CO[C@@]12C=C[C@@]3(C[C@@H]1CN(CCCl)CCCl)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5 141433212 FTKOCAZZFUDHDQ-GTTGYYBWSA-N 479.448 3.392 70 10 JGIE Cc1ccc(C(=O)CCNC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 217281779 FOQBGJNYYJFLHX-UHFFFAOYSA-N 465.959 3.064 70 10 JGIE O=S(=O)(Cl)c1cc(Br)nc(I)c1OC(F)(F)F 396179360 KWQJVECKTSPXMK-UHFFFAOYSA-N 466.400 3.275 70 10 JGIE CCCn1c(C(=O)NC[C@H]2CCCN(c3nccs3)C2)cc2c(=O)n3ccccc3nc21 218141798 GFGYVYJFZKKWLB-MRXNPFEDSA-N 450.568 3.162 70 10 JGIE O=C(NCCc1ccc(S(=O)(=O)Cl)s1)c1ccccc1I 59060028 JVKZWTCCVQPRHK-UHFFFAOYSA-N 455.726 3.253 70 10 JGIE NS(=O)(=O)c1cc(Br)c(OCc2ccc(I)cc2)cc1F 160422771 MGJSJRLRBGRGQO-UHFFFAOYSA-N 486.100 3.419 70 10 JGIE O=S(=O)(Cl)c1ncc(Br)c(I)c1OC(F)(F)F 396148032 DKYSYWFFJBYMNS-UHFFFAOYSA-N 466.400 3.275 70 10 JGIE O=S(=O)(Cl)c1nc(Br)cc(I)c1OC(F)(F)F 396153393 HBOGHFUJMKSBMD-UHFFFAOYSA-N 466.400 3.275 70 10 JGIE O=S(=O)(Cl)c1nc(I)cc(OC(F)(F)F)c1Br 396161064 SFSBLNVOJYBATD-UHFFFAOYSA-N 466.400 3.275 70 10 JGIE COc1cc(-c2cc(C(=O)N3CCC[C@@]4(C3)OC(=O)c3ccccc34)[nH]n2)cc(OC)c1OC 217602302 AUVNEYZJKBWCHA-VWLOTQADSA-N 463.490 3.404 70 10 JGIE C[C@@H](NS(=O)(=O)C1CC(OCc2ccccc2)C1)c1ccc(S(=O)(=O)Cl)s1 2161353788 AYLAYINNADJWEE-LRVUVFPRSA-N 450.003 3.404 70 10 JGIE CCCn1c(C(=O)N2C[C@@H](Oc3ccccc3F)C[C@H]2C(=O)OC)cc2c(=O)n3ccccc3nc21 217921823 UCONITGLUNGLCA-JXFKEZNVSA-N 492.507 3.033 70 10 JGIE CCOc1ccc(S(=O)(=O)Cl)c(I)c1I 2060126054 TZVKIVVNZUEXAH-UHFFFAOYSA-N 472.469 3.222 70 10 JGIE COc1ccc(C(=O)N2CCC(CNC(=O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)CC2)cc1OC 216869972 KNNGRBRQGYUQOO-WMZHIEFXSA-N 493.604 3.282 70 10 JGIE CC(=O)Nc1ccc(NC(=O)NCCCN2C(=O)c3ccc(Br)cc3C2=O)cc1 217306367 DFWQXIUQHLVDLM-UHFFFAOYSA-N 459.300 3.215 70 10 JGIE COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)CCCCCN1C(=O)c2ccccc2C1=O 217926263 KSMRXXGZQQRZNF-UWJYYQICSA-N 482.508 3.204 70 10 JGIE COc1cc(-c2cc(C(=O)N3CCC[C@]4(C3)OC(=O)c3ccccc34)[nH]n2)cc(OC)c1OC 217602230 AUVNEYZJKBWCHA-RUZDIDTESA-N 463.490 3.404 70 10 JGIE Cc1c(CN2CCN(C(=O)OC(C)(C)C)CC2)cc([B-](F)(F)F)c(C)c1OS(=O)(=O)F 1887510635 NFYKKZKEKZYOAK-UHFFFAOYSA-N 469.286 3.004 70 10 JGIE O=C(c1cc(Cl)cc(Cl)c1I)N1CC[C@H](S(=O)(=O)F)C1 2144732585 HKNQECVTZFXHBB-ZETCQYMHSA-N 452.072 3.112 70 10 JGIE CN(C(=O)COc1c(Br)cc(S(=O)(=O)Cl)cc1Br)C1CC1 215852052 NXTOBSUWOGNSOH-UHFFFAOYSA-N 461.559 3.139 70 10 JGIE CC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)N2CCC[C@@]3(C2)OC(=O)c2ccccc23)cc1 217575032 CBSXNSNBZDWODK-VWLOTQADSA-N 470.591 3.341 70 10 JGIE COc1ccc(C(=O)N2CCC(NC(=O)Cc3cccc(Br)c3)CC2)cc1OC 216892294 XISIQWUXFWJMON-UHFFFAOYSA-N 461.356 3.430 70 10 JGIE COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1cccc(I)c1 217965896 MJULHNOPZGAGCO-HOCLYGCPSA-N 469.250 3.265 70 10 JGIE COc1ccc(C(=O)N2CCC(NC(=O)c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)CC2)cc1OC 216887905 QCOOFHRDKWVCDD-UHFFFAOYSA-N 493.560 3.133 70 10 JGIE O=S(=O)(Nc1cnn(C[C@H]2COc3ccccc3O2)c1)c1ccc(Br)cc1 218292906 BPIPEHWMKLEMLI-HNNXBMFYSA-N 450.314 3.286 70 10 JGIE CC1(OCC(=O)Nc2c(Br)cc(Br)cc2Br)CNC1 161097483 PYWHEZFGOQLFHG-UHFFFAOYSA-N 456.960 3.291 70 10 JGIE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@@H]2C[C@]2([B-](F)(F)F)C1 2364215645 VIJVGDGDSHOZDS-QRWLVFNGSA-N 457.303 3.486 70 10 JGIE O=S(=O)(c1cccc(Br)c1)N1CCN(Cc2noc(-c3ccccc3)n2)CC1 217089891 JFGJTMLDWBWPSW-UHFFFAOYSA-N 463.357 3.006 70 10 JGIE O=S(=O)(Cl)c1c(I)cnc(I)c1C(F)F 238596427 UQTVZYUYJWCBIW-UHFFFAOYSA-N 479.411 3.156 70 10 JGIE O=C1O[C@@]2(CCCN(C(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)C2)c2ccccc21 217601654 GFXALPQVKUQJTR-XMMPIXPASA-N 454.548 3.163 70 10 JGIE Cc1cc(Br)c(S(=O)(=O)Nc2sccc2C(N)=O)cc1Br 159583616 WYVQPWHNMWEJGQ-UHFFFAOYSA-N 454.165 3.481 70 10 JGIE CC1(C)CC(NC(=O)NCCCN2C(=O)c3ccc(Br)cc3C2=O)CC(C)(C)N1 217306542 GPUMDOQLOWRLLQ-UHFFFAOYSA-N 465.392 3.044 70 10 JGIE O=S(=O)(Cl)c1c(I)cc(I)nc1C(F)F 238608292 OPVGZZYXDQPJEJ-UHFFFAOYSA-N 479.411 3.156 70 10 JGIE O=S(=O)(Cl)c1cc(I)c(Cl)c(I)c1 2060089780 MCQRQLUPNLYVSZ-UHFFFAOYSA-N 462.861 3.477 70 10 JGIE O=S(=O)(Cl)c1cc(OC(F)(F)F)c(Br)nc1I 396187339 XAHMWGPTTASOJB-UHFFFAOYSA-N 466.400 3.275 70 10 JGIE O=C(NCCn1nc(-c2ccccn2)c2c1CCCC2)c1ccc(S(=O)(=O)N2CCCC2)cc1 217494928 QBWQWLMXHQORJO-UHFFFAOYSA-N 479.606 3.038 70 10 JGIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)[C@H]3CC(=O)N(C(C)C)C3)c2)cc1 216680097 NBMOUKBBFCKKGW-IBGZPJMESA-N 467.522 3.347 70 10 JGIE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC(CCS(=O)(=O)F)C1 1901486614 XCIFEASLQJTGRG-QFIPXVFZSA-N 474.554 3.452 70 10 JGIE COC(=O)c1c(C)c(OS(=O)(=O)F)c(C)c(N2CCN(C(=O)OC(C)(C)C)CC2)c1C 1887514951 SKYKAWDPGMZDSN-UHFFFAOYSA-N 460.524 3.049 70 10 JGIE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(S(=O)(=O)F)nc1 2060818491 QEBMOHONZLFBRG-RDTXWAMCSA-N 467.519 3.177 70 10 JGIE Cc1cccc(S(=O)(=O)NC2(C(=O)NCCCc3cnc4cc(C)nn4c3)CCCCC2)c1 218019117 BJRLBTPJPSUMLY-UHFFFAOYSA-N 469.611 3.076 70 10 JGIE O=S(=O)(Cl)c1c(Cl)cc(I)cc1I 2060091946 MOFWQUXOKGPBGH-UHFFFAOYSA-N 462.861 3.477 70 10 JGIE O=S(=O)(Cl)c1cc(I)nc(OC(F)(F)F)c1Br 396150313 HMAPLNSJOBFANC-UHFFFAOYSA-N 466.400 3.275 70 10 JGIE CCc1c(I)cc(I)cc1S(=O)(=O)Cl 2060148191 ZFYYBGCMUHULKT-UHFFFAOYSA-N 456.470 3.386 70 10 JGIE COc1ccc(C(=O)NCC2CCN(C(=O)c3ccc(Br)o3)CC2)cc1OC 216869167 YVBAIXIFBGLPKX-UHFFFAOYSA-N 451.317 3.342 70 10 JGIE Cc1cc(I)ccc1NC(=O)NCCCN1C(=O)c2ccccc2C1=O 217306080 XKBCBZAMSJOWON-UHFFFAOYSA-N 463.275 3.407 70 10 JGIE CCOC(=O)C1(c2cc(-c3cccc([N+](=O)[O-])c3)c(C#N)c(OS(=O)(=O)C(F)(F)F)n2)CC1 100063616 UANBSHKCDAVROU-UHFFFAOYSA-N 485.396 3.352 70 10 JGIE O=C(NCOc1ccc(Cl)cc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 217301643 DVMRUORYHXRAOJ-UHFFFAOYSA-N 460.339 3.172 70 10 JGIE O=S(=O)(Cl)c1cc(I)c(OC(F)(F)F)c(Br)n1 396173606 RABKIITWAXCDGM-UHFFFAOYSA-N 466.400 3.275 70 10 JGIE NC(=S)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2I)c1 160846788 GYSOYZUYVUPGCR-UHFFFAOYSA-N 452.726 3.380 70 10 JGIE CC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)NC[C@H]2CCCN(c3nccs3)C2)cc1 218135286 CHFSVDXDKBAVLE-QGZVFWFLSA-N 464.657 3.142 70 10 JGIE CC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)N2CCC[C@]3(C2)OC(=O)c2ccccc23)cc1 217574934 CBSXNSNBZDWODK-RUZDIDTESA-N 470.591 3.341 70 10 JGIE O=C(Nc1cnn(C[C@@H]2COc3ccccc3O2)c1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 218268238 DHPRFOGURSZGCU-HXUWFJFHSA-N 482.562 3.150 70 10 JGIE O=S(=O)(Cl)c1c(OC(F)F)ccc(I)c1I 2055322226 BQTMYGIRHNUZLO-UHFFFAOYSA-N 494.422 3.425 70 10 JGIE CC(=O)Nc1cccc(NC(=O)NCCCN2C(=O)c3ccc(Br)cc3C2=O)c1 217306587 HLYXNWPQADHUCD-UHFFFAOYSA-N 459.300 3.215 70 10 JGIE COc1ccc(C(=O)N2CCC(NC(=O)Cc3ccc(Br)cc3)CC2)cc1OC 216892456 FXOULPGZNUJYES-UHFFFAOYSA-N 461.356 3.430 70 10 JGIE O=C(NCc1cccc(Br)c1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 217315006 JUSMTRYKIJOWHH-UHFFFAOYSA-N 488.791 3.445 70 10 JGIE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@H]2C[C@]2([B-](F)(F)F)C1 2364202655 VIJVGDGDSHOZDS-YWZLYKJASA-N 457.303 3.486 70 10 JGIE CCn1c(-c2cc(Br)ccc2I)nnc1S(=O)(=O)Cl 234228998 VGYZCCLHZDQBOD-UHFFFAOYSA-N 476.521 3.260 70 10 JGIE O=C(NCc1ccc(C(=O)c2ccsc2)s1)C(=O)Nc1cccc(N2CCCC2=O)c1 217293875 SEXDJGAYRFDMQI-UHFFFAOYSA-N 453.545 3.422 70 10 JGIE COc1ccc(OC)c(-c2cc(C(=O)Nc3cnn(C[C@@H]4COc5ccccc5O4)c3)[nH]n2)c1 218250352 VUBROTCZKUCLKY-QGZVFWFLSA-N 461.478 3.383 70 10 JGIE CCn1c(-c2ccc(I)c(Br)c2)nnc1S(=O)(=O)Cl 721336371 LRGRBCROYSDCMS-UHFFFAOYSA-N 476.521 3.260 70 10 JGIE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC(CS(=O)(=O)F)C2)cc1I 2134973980 YQXXDGHNWWWHIB-UHFFFAOYSA-N 498.314 3.010 70 10 JGIE NS(=O)(=O)c1ccc(CNC(=O)NCCCOc2ccc(Br)cc2Cl)cc1 217298972 PENPLPKKYGVIJE-UHFFFAOYSA-N 476.780 3.018 70 10 JGIE Cn1cc(I)c(COc2ccc(Br)cc2S(=O)(=O)Cl)n1 2367528076 ZPDBXLQJWYCTCX-UHFFFAOYSA-N 491.532 3.294 70 10 JGIE CCCn1c(C(=O)N2C[C@H](Oc3ccccc3F)C[C@@H]2C(=O)OC)cc2c(=O)n3ccccc3nc21 217921575 UCONITGLUNGLCA-OXQOHEQNSA-N 492.507 3.033 70 10 JGIE COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1S(=O)(=O)Cc1ccc(C(F)(F)F)cc1 217998237 QQKVOSIHRITEJV-NVXWUHKLSA-N 461.433 3.369 70 10 JGIE CC(C)(C)OC(=O)N[C@@]1(C(=O)Nc2ccccc2S(=O)(=O)F)CCN(Cc2ccccc2)C1 2124716723 DDGBUHJBTSYMOI-QHCPKHFHSA-N 477.558 3.453 70 10 JGIE C[C@@H](NS(=O)(=O)[C@H]1C[C@H](OCc2ccccc2)C1)c1ccc(S(=O)(=O)Cl)s1 2161368691 AYLAYINNADJWEE-BPLDGKMQSA-N 450.003 3.404 70 10 JGIE O=S(=O)(Cl)c1c(I)ccc(I)c1Cl 2060090451 BZEODTKMTTXOEI-UHFFFAOYSA-N 462.861 3.477 70 10 JGIE COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)/C=C/c1cc(OC)c(OC)c(OC)c1 217955839 PBTSLVVXGPEVDR-WADNSWHXSA-N 459.470 3.086 70 10 JGIE CCOC(=O)Oc1ccc(C(=O)NCCCNC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)cc1 216700820 IEKFXVXUAFQNEL-GHTZIAJQSA-N 481.549 3.068 70 10 JGIE O=S(=O)(Cl)c1nc(I)cc(C(F)F)c1I 238687632 RKBLSBTUBACMOL-UHFFFAOYSA-N 479.411 3.156 70 10 JGIE Cc1ccc(S(=O)(=O)N2CCN(C(=O)N/C=C/c3ccccc3Br)CC2)cc1 217876461 OALQFZSNCQUWOK-ZHACJKMWSA-N 464.385 3.444 70 10 JGIE NS(=O)(=O)c1ccc(CCNC(=O)NCCCOc2ccc(Br)cc2Cl)cc1 217299089 XWKNUUJBZMUVQN-UHFFFAOYSA-N 490.807 3.061 70 10 JGIE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC(S(=O)(=O)F)C1 1992831031 LFYLFQMANUNFQN-IVZQSRNASA-N 474.554 3.450 70 10 JGIE CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccccc1OS(=O)(=O)C(F)(F)F 95896467 UPQXLALGIWXELW-UHFFFAOYSA-N 477.457 3.276 70 10 JGIE CCOc1cc(C(=O)NCCNC(=O)c2ccc(OC)c(OC)c2)cc(OCC)c1OCC 216863292 GZBZWNQZZQYPSC-UHFFFAOYSA-N 460.527 3.060 70 10 JGIE CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(S(=O)(=O)F)cc3Cl)c2C)C1=O 1460020422 CVBYCJBGZPNYEW-UHFFFAOYSA-N 453.879 3.347 70 10 JGIE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@H](S(=O)(=O)F)C1 1984694265 JESIENVPDRYPOT-OPAMFIHVSA-N 474.554 3.450 70 10 JGIE CCCn1c(C(=O)N2CCC[C@@]3(C2)OC(=O)c2ccccc23)cc2c(=O)n3ccccc3nc21 217580978 MTSZKUOGVZBKAD-SANMLTNESA-N 456.502 3.361 70 10 JGIE COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1S(=O)(=O)c1ccc(Br)s1 217997155 MMTUCIJFVXJOQL-ZYHUDNBSSA-N 464.334 3.033 70 10 JGIE O=C(NCCCOc1ccc(Br)cc1Cl)N1CCN(c2ncccn2)CC1 217299117 JBKLMWOPTKZLOZ-UHFFFAOYSA-N 454.756 3.193 70 10 JGIE CCCCn1c(C(=O)NCCCc2cnc3cc(C)nn3c2)cc2c(=O)n3ccccc3nc21 218023054 XBTFFLFWUBVNFS-UHFFFAOYSA-N 457.538 3.163 70 10 JGIE O=S(=O)(Cl)c1cc(I)nc(C(F)F)c1I 238608771 OUSOJICYFDCNOF-UHFFFAOYSA-N 479.411 3.156 70 10 JGIE Cc1cccc(S(=O)(=O)NC2(C(=O)NC[C@@H]3CCCN(c4nccs4)C3)CCCCC2)c1 218134014 VCGUPMZABAXSBB-IBGZPJMESA-N 476.668 3.466 70 10 JGIE Cc1c(I)cc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1CS(=O)(=O)F 1887577555 RGMMIVOXELBMFU-UHFFFAOYSA-N 498.358 3.456 70 10 JGIE Cn1cc(I)c(COc2ccc(S(=O)(=O)F)cc2Br)n1 2367507941 YDMHPOOGUMJMKD-UHFFFAOYSA-N 475.077 3.024 70 10 JGIE CCOC(=O)Oc1ccc(C(=O)NCCCNC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)cc1 216700870 IEKFXVXUAFQNEL-NQIIRXRSSA-N 481.549 3.068 70 10 JGIE O=C(NCCCN1C(=O)c2ccc(Br)cc2C1=O)NC1CCN(Cc2ccccc2)CC1 217306704 DHWVVPJRHNWXLL-UHFFFAOYSA-N 499.409 3.399 70 10 JGIE Cc1c(I)cc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1S(=O)(=O)F 1887554396 GPXJCWXIYRMKPE-UHFFFAOYSA-N 498.358 3.311 70 10 JGIE O=S(=O)(Nc1cnn(C[C@@H]2COc3ccccc3O2)c1)c1ccc(Br)s1 218299105 YLAHMPKZIDIGLO-GFCCVEGCSA-N 456.343 3.348 70 10 JGIE O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(c2cc(-n3cncn3)ncn2)CC1 218633295 WFOHJUQMDUROCD-UHFFFAOYSA-N 471.365 3.057 70 10 JGIE COc1ccc(C(=O)N2CCN(C(=O)CCc3ccc(Br)cc3)CC2)cc1OC 216856927 UTAFCECARNPNFU-UHFFFAOYSA-N 461.356 3.384 70 10 JGIE CC(=O)N1CCN(c2cccc(NC(=O)c3cc(S(=O)(=O)F)ccc3Cl)c2C)C1=O 1436228431 VVSTYRHKENYFOY-UHFFFAOYSA-N 453.879 3.347 70 10 JGIE COc1ccc(N2C[C@@H](C(=O)NCCn3nc(-c4ccncc4)c4c3CCCC4)CC2=O)cc1 217456783 HDIJWYDGZLUXBL-IBGZPJMESA-N 459.550 3.002 70 10 JGIE CCOc1ccc(CCC(=O)N2CCCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc1OC 216858877 FROWVLKIBOFXCQ-UHFFFAOYSA-N 470.566 3.418 70 10 JGIE Cc1c(I)cc(CS(=O)(=O)F)cc1N1CCN(C(=O)OC(C)(C)C)CC1 1887576894 GCKUGTXJQBDDLZ-UHFFFAOYSA-N 498.358 3.456 70 10 JGIE Cc1c(CS(=O)(=O)F)cc(B2OC(C)(C)C(C)(C)O2)cc1N1CCN(C(=O)OC(C)(C)C)CC1 1887577552 PXXYYVMDLPZVED-UHFFFAOYSA-N 498.426 3.151 70 10 JGIE CC(C)(C)OC(=O)NC1(CC(=O)N2CCC[C@@H](S(=O)(=O)F)C2)CCN(Cc2ccccc2)CC1 2181142176 SYHGIZQCBBGKFK-HXUWFJFHSA-N 497.633 3.226 70 10 JGIE CN(C)C(=O)CCCOc1c(Br)cc(S(=O)(=O)Cl)cc1Br 215863100 FYUBLQMVGAWDFG-UHFFFAOYSA-N 463.575 3.386 70 10 JGIE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC(CS(=O)(=O)F)C1 1992825892 CKNZRRMGEXXHND-QFIPXVFZSA-N 474.554 3.307 70 10 JGIE N#CC1=P(N2CCOCC2)(N2CCOCC2)C(c2ccc(C#N)cc2)=CC=C1N1CCCC1 2059836459 UYQLNIAGPBOIGF-UHFFFAOYSA-N 463.522 3.100 70 10 JGIE Cc1cc(Br)c(C(=O)N2CC(S(=O)(=O)F)C2)cc1NC(=O)OC(C)(C)C 2134977703 WLKLLCTZFMOKCU-UHFFFAOYSA-N 451.314 3.228 70 10 JGIE O=C(COc1c(Br)cc(S(=O)(=O)Cl)cc1Br)N1CCCC1 215852128 VPIBLHOQHNDWNA-UHFFFAOYSA-N 461.559 3.140 70 10 JGIE O=S(=O)(Cl)c1cc(I)c(OC(F)F)cc1I 2055332113 WEZTVTDHAXVBHD-UHFFFAOYSA-N 494.422 3.425 70 10 JGIE CC(C)(C)OC(=O)Nc1cc(Br)ccc1C(=O)N1CC(CS(=O)(=O)F)C1 2134973700 VFJIFQRTSGHOEM-UHFFFAOYSA-N 451.314 3.167 70 10 JGIE O=S(=O)(Cl)c1nc(OC(F)(F)F)cc(Br)c1I 396146702 BNLSVLWOTJIDAL-UHFFFAOYSA-N 466.400 3.275 70 10 JGIE O=S(=O)(Cl)c1c(I)cc(Br)nc1OC(F)(F)F 396174275 UQNMRLJBYIYCIL-UHFFFAOYSA-N 466.400 3.275 70 10 JGIE CC(C)(C)OC(=O)NCCN(CC(=O)Nc1ccccc1S(=O)(=O)F)Cc1ccccc1 2060814432 NHLNUAHBYWLJNC-UHFFFAOYSA-N 465.547 3.310 70 10 JGIE O=S(=O)(Cl)c1cnc(I)c(C(F)F)c1I 238597027 VJDNMWVZGMCHRM-UHFFFAOYSA-N 479.411 3.156 70 10 JGIE CC(C)(C)OC(=O)Nc1cc(Br)ccc1C(=O)N1CC[C@H](S(=O)(=O)F)C1 2124730343 RLZVOOZZYWNKIZ-NSHDSACASA-N 451.314 3.310 70 10 JGIE CCOC(=O)Oc1ccc(C(=O)NCCCNC(=O)CCc2ccc(OC)c(OC)c2)cc1 216705322 VMBSKAOEURLBOX-UHFFFAOYSA-N 458.511 3.108 70 10 JGIE COc1cccc(N2C[C@@H](C(=O)NCCn3nc(-c4ccccn4)c4c3CCCC4)CC2=O)c1 217493689 BJKWARAGXOAFKR-SFHVURJKSA-N 459.550 3.002 70 10 JGIE O=S(=O)(Cl)c1ncc(I)c(I)c1C(F)F 238587632 FZENXEBTSPJRKD-UHFFFAOYSA-N 479.411 3.156 70 10 JGIE CCN(CC)C(=O)COc1c(Br)cc(S(=O)(=O)Cl)cc1Br 215862856 YPRUSZAZBRAICR-UHFFFAOYSA-N 463.575 3.386 70 10 JGIE Cc1ccc(OCNC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c(C)c1 217276939 BXOVXKHOOJMYDA-UHFFFAOYSA-N 453.948 3.136 70 10 JGIE COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)CCc1c(OC)cc(OC)cc1OC 217917794 CDEBMJDBGIPOLO-LPHOPBHVSA-N 461.486 3.006 70 10 JGIE O=S(=O)(Cl)c1cc(OC(F)F)cc(I)c1I 2055323231 NNDHKLHUEZPGAA-UHFFFAOYSA-N 494.422 3.425 70 10 JGIE COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1S(=O)(=O)Cc1cccc(C(F)(F)F)c1 218007841 OHUKHUZTCGZIRT-DOTOQJQBSA-N 461.433 3.369 70 10 JGIE O=S(=O)(Cl)c1ncc(I)c(OC(F)(F)F)c1Br 396147076 CBZKVQHEOXADQH-UHFFFAOYSA-N 466.400 3.275 70 10 JGIE CC(C)(C)OC(=O)Nc1cc(C(=O)N2CC[C@H](S(=O)(=O)F)C2)ccc1Br 2124727001 IYVGSNWJQMLKMH-NSHDSACASA-N 451.314 3.310 70 10 JGIE CCn1cc(C(=O)NCCn2nc(-c3ccccn3)c3c2CCCC3)c(=O)c2ccc(C)nc21 217493195 UTKFSEIBSFQWSY-UHFFFAOYSA-N 456.550 3.292 70 10 JGIE Cc1cc2ncc(CCCNC(=O)c3ccc(NS(=O)(=O)c4cccc(F)c4)cc3)cn2n1 218017795 WBZUXJYQEZBNFD-UHFFFAOYSA-N 467.526 3.340 70 10 JGIE CCCCn1c(C(=O)NC[C@@H]2CCCN2c2nccs2)cc2c(=O)n3ccccc3nc21 217752317 TVWPBWHILVNXEF-INIZCTEOSA-N 450.568 3.305 70 10 JGIE COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1S(=O)(=O)c1ccc(Br)s1 217996902 MMTUCIJFVXJOQL-JQWIXIFHSA-N 464.334 3.033 70 10 JGIE O=C(NCCCC(=O)N1CC(CCS(=O)(=O)F)C1)OCC1c2ccccc2-c2ccccc21 2243899574 JFJMYYSUFUCOCU-UHFFFAOYSA-N 474.554 3.453 70 10 JGIE CCOc1c(I)ccc(I)c1S(=O)(=O)Cl 2060121631 VTOVRARPWPZBPO-UHFFFAOYSA-N 472.469 3.222 70 10 JGIE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@@H]2C[C@@]2([B-](F)(F)F)C1 2364202652 VIJVGDGDSHOZDS-FOIQADDNSA-N 457.303 3.486 70 10 JGIE COCCn1c(-c2cc(Br)c(Br)s2)nnc1S(=O)(=O)Cl 158070159 YMKGSKIQFPTFLX-UHFFFAOYSA-N 465.576 3.106 70 10 JGIE O=C(Nc1ccccc1-c1cn2ccsc2n1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 218539953 BTUHIBPRFIISEK-UHFFFAOYSA-N 468.560 3.336 70 10 JGIE CCOC(=O)c1ccc(NC(=O)NCCCN2C(=O)c3ccc(Br)cc3C2=O)cc1 217306380 RCTSVGAYUGFYAD-UHFFFAOYSA-N 474.311 3.434 70 10 JGIE O=S(=O)(Cl)c1c(I)ncc(Br)c1OC(F)(F)F 396162754 TVZIIRYMSBLIOF-UHFFFAOYSA-N 466.400 3.275 70 10 JGIE Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCOc3cc(C)c(Cl)c(C)c3)CC2)cc1 217290903 SIEDKGQSOBULDP-UHFFFAOYSA-N 451.976 3.318 70 10 JGIE COC(=O)c1ccc(NC(=O)NCCCN2C(=O)c3ccc(Br)cc3C2=O)cc1 217306607 OQOUXNDKNBCBDR-UHFFFAOYSA-N 460.284 3.044 70 10 JGIE COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1S(=O)(=O)Cc1cccc(C(F)(F)F)c1 218007911 OHUKHUZTCGZIRT-WBVHZDCISA-N 461.433 3.369 70 10 JGIE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC(CS(=O)(=O)F)C2)cc1Br 2134972860 JIIFMGDKIBFUMP-UHFFFAOYSA-N 451.314 3.167 70 10 JGIE CCCCNC(=O)COc1c(Br)cc(S(=O)(=O)Cl)cc1Br 215852984 HIVRJEVSXUCYQP-UHFFFAOYSA-N 463.575 3.434 70 10 JGIE O=C(c1cc(Cl)cc(Cl)c1I)N1CC[C@@H](S(=O)(=O)F)C1 2144732584 HKNQECVTZFXHBB-SSDOTTSWSA-N 452.072 3.112 70 10 JGIE Cc1nc(NC(=O)CN2CCC[C@@H](C(=O)NC[C@H](c3ccccc3)N3CCCC3)C2)sc1C 216703784 DZZZPGDINBCHQU-FGZHOGPDSA-N 469.655 3.364 70 10 JGIE CC(C)CN1C(=O)c2ccc(NC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2C1=O 217279783 KRPMXBPYHVSTDL-UHFFFAOYSA-N 464.522 3.017 70 10 JGIE O=S(=O)(Cl)CCOCCOc1cc(Br)cc(I)c1 2316855181 SCUPPQYKJKMVAU-UHFFFAOYSA-N 469.522 3.018 70 10 JGIE CCc1cc(S(=O)(=O)Cl)cc(I)c1I 2060147872 RCCACTZCQNXJFC-UHFFFAOYSA-N 456.470 3.386 70 10 JGIE CCOc1cc(I)c(S(=O)(=O)Cl)c(I)c1 2060131065 XXEZLPFKNTUIBG-UHFFFAOYSA-N 472.469 3.222 70 10 JGIE CCOC(=O)Oc1ccc(C(=O)NCCCNC(=O)c2ccccc2I)cc1 216698687 BMCPUBVBCQRELW-UHFFFAOYSA-N 496.301 3.376 70 10 JGIE Cc1ccc(OCNC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1C 217293054 IABYBKQNRBHIGB-UHFFFAOYSA-N 453.948 3.136 70 10 JGIE CC(C)S(=O)(=O)c1ccc(CC(=O)NCCn2nc(-c3ccccn3)c3c2CCCC3)cc1 217494610 GCYYYCRANBUDRS-UHFFFAOYSA-N 466.607 3.365 70 10 JGIE O=S(=O)(Cl)c1c(OC(F)(F)F)ncc(I)c1Br 396158235 PCSRZADJONHGKK-UHFFFAOYSA-N 466.400 3.275 70 10 JGIE O=C(NCc1ccc(Br)cc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 217315443 HRUBWCSCPVDTMN-UHFFFAOYSA-N 488.791 3.445 70 10 JGIE COc1ccc(C(=O)N2CCC(CNC(=O)c3ccc(Br)o3)CC2)cc1OC 216869206 CYKMHYIXJFHFLL-UHFFFAOYSA-N 451.317 3.342 70 10 JGIE O=C(NC[C@@H]1CCCN1c1nccs1)c1cccc(NS(=O)(=O)c2cccc(F)c2)c1 217745874 YPCCCEMGKKDHED-SFHVURJKSA-N 460.556 3.482 70 10 JGIE O=C(NC1(C(=O)N2CCC(S(=O)(=O)F)CC2)CC1)OCC1c2ccccc2-c2ccccc21 1902265767 PPUXPXAFEDBVOO-UHFFFAOYSA-N 472.538 3.348 70 10 JGIE O=S(=O)(Cl)c1ncc(OC(F)(F)F)c(I)c1Br 396151561 IKFCCYSILOUTMF-UHFFFAOYSA-N 466.400 3.275 70 10 JGIE COc1ccc(C(=O)N2CCC(CNC(=O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)CC2)cc1OC 216869942 KNNGRBRQGYUQOO-CVDCTZTESA-N 493.604 3.282 70 10 JGIE COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)CCc1c(OC)cc(OC)cc1OC 217917684 CDEBMJDBGIPOLO-APWZRJJASA-N 461.486 3.006 70 10 JGIE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)N2CCC(S(=O)(=O)F)CC2)C1 2124724856 VXAJVOYBFGTWMZ-QHCPKHFHSA-N 484.590 3.121 70 10 JGIE CCN(CCCOCc1ccccc1)C(=O)c1[nH]nc(Br)c1S(=O)(=O)Cl 2134189598 QKZJKMKSNXNXRO-UHFFFAOYSA-N 464.769 3.169 70 10 JGIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)[C@@H]2CC(=O)N(C(C)C)C2)cc1 216654597 BIOPCLWIVJCCGS-LJQANCHMSA-N 467.522 3.347 70 10 JGIE O=S(=O)(Cl)c1cnc(I)c(Br)c1OC(F)(F)F 396185914 VTTLOJWSZFSITF-UHFFFAOYSA-N 466.400 3.275 70 10 JGIE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1S(=O)(=O)F 2060812883 DGXQLUKNRVJNEJ-GOSISDBHSA-N 465.547 3.309 70 10 JGIE O=C(NC[C@@H]1CCCN1c1nccs1)c1ccc(NS(=O)(=O)c2cccc(F)c2)cc1 217741735 GXPZBGPGSYQNEB-SFHVURJKSA-N 460.556 3.482 70 10 JGIE CCc1c(I)ccc(I)c1S(=O)(=O)Cl 2060147515 IVCMBYSNRHRJEM-UHFFFAOYSA-N 456.470 3.386 70 10 JGIE CCOC(=O)Oc1ccc(C(=O)NCCCNC(=O)Cc2cccc(Br)c2)cc1 216707709 XIQQCFJUJUHLFP-UHFFFAOYSA-N 463.328 3.463 70 10 JGIE F[B-](F)(F)c1cnc(N2CC[C@@]3(CN(Cc4ccccc4)CCO3)C2)c(Br)c1 2172764326 BEJBOKUJUOWENC-LJQANCHMSA-N 455.107 3.380 70 10 JGIE CCc1c(I)cc(S(=O)(=O)Cl)cc1I 2060147596 KQCUIIRTYKAPTM-UHFFFAOYSA-N 456.470 3.386 70 10 JGIE O=C(CN1C(=O)c2ccc(Br)cc2C1=O)Nc1cccc(NC(=O)C(F)(F)F)c1 216768314 PSBYPAKWPGFBHC-UHFFFAOYSA-N 470.201 3.185 70 10 JGIE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)Nc1ccccc1S(=O)(=O)F 2124730619 HSODAZYFEBFRMZ-KRWDZBQOSA-N 480.514 3.310 70 10 JGIE CN(C(=O)NCCCOc1ccc(C(C)(C)C)cc1Br)[C@H]1CCS(=O)(=O)C1 217298636 DXONNPTXGJOIAL-HNNXBMFYSA-N 461.422 3.344 70 10 JGIE COc1ccc(N2C[C@H](C(=O)NCCn3nc(-c4ccccn4)c4c3CCCC4)CC2=O)cc1 217493795 BXJFKVVSQPOPTR-GOSISDBHSA-N 459.550 3.002 70 10 JGIE O=C(Nc1ccc(Br)o1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 217280004 GAMHMOAWOQYSNU-UHFFFAOYSA-N 464.725 3.360 70 10 JGIE COc1ccc(CCC(=O)NCC2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc1OC 216876184 LUATVDDZVOPMOG-UHFFFAOYSA-N 470.566 3.322 70 10 JGIE O=C(NC[C@H]1CCCN1c1nccs1)c1ccc(NS(=O)(=O)c2cccc(F)c2)cc1 217741827 GXPZBGPGSYQNEB-GOSISDBHSA-N 460.556 3.482 70 10 JGIE O=C(Nc1cnn(C[C@@H]2COc3ccccc3O2)c1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 218270602 IUOSVYYSTNOBLF-DNVCBOLYSA-N 452.898 3.368 70 10 JGIE C[C@H](NS(=O)(=O)C1CC(OCc2ccccc2)C1)c1ccc(S(=O)(=O)Cl)s1 2161353787 AYLAYINNADJWEE-GRTSSRMGSA-N 450.003 3.404 70 10 JGIE COc1ccc(CCC(=O)N2CCC(NC(=O)c3ccc(OC)c(OC)c3)CC2)cc1OC 216890993 TWSOVFGXJPVZAI-UHFFFAOYSA-N 456.539 3.075 70 10 JGIE Cc1c(CS(=O)(=O)F)c(C)c(N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1OS(=O)(=O)F 1887515206 JSAOKGFRHHEVSR-UHFFFAOYSA-N 498.570 3.061 70 10 JGIE O=S(=O)(Cl)c1ccc(OC(F)F)c(I)c1I 2055330600 DQOALAGOTJCYFO-UHFFFAOYSA-N 494.422 3.425 70 10 JGIE CCOc1ccc(CCNC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1OC 217308241 GWOGXMYDDLABEG-UHFFFAOYSA-N 498.001 3.132 70 10 JGIE COc1cccc(N2C[C@H](C(=O)NCCn3nc(-c4ccncc4)c4c3CCCC4)CC2=O)c1 217456515 IACWISJUBZKBMX-LJQANCHMSA-N 459.550 3.002 70 10 JGIE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)Nc1ccccc1S(=O)(=O)F 2010545235 SLLGAKDIAKEVHL-KRWDZBQOSA-N 452.504 3.393 70 10 JGIE O=C(NCCCN1C(=O)c2ccc(Br)cc2C1=O)N1CCN(c2ccccc2F)CC1 217306692 HBJXTKWGHCYQJC-UHFFFAOYSA-N 489.345 3.106 70 10 JGIE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC(S(=O)(=O)F)C1 2243899043 CDRFHACGNDLNGF-QFIPXVFZSA-N 474.554 3.450 70 10 JGIE O=C(NC1(C(=O)N2CC(CCS(=O)(=O)F)C2)CC1)OCC1c2ccccc2-c2ccccc21 1902262622 HIIDKUKRWZVMEU-UHFFFAOYSA-N 472.538 3.206 70 10 JGIE COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1cc(-c2cccc(OC)c2)nn1C 217964925 TWFGKZZNMNXVIB-UTKZUKDTSA-N 453.470 3.070 70 10 JGIE O=S(=O)(Cl)c1c(I)ccc(I)c1OC(F)F 2055328810 LNZJDBULPAVCHM-UHFFFAOYSA-N 494.422 3.425 70 10 JGIE C=C(Br)CS(=O)(=O)Nc1cc(C)c(S(=O)(=O)Cl)cc1Br 704610931 SHOHPXHVLODUMD-UHFFFAOYSA-N 467.588 3.335 70 10 JGIE O=[N+]([O-])c1cc(Br)c(OCCOCCS(=O)(=O)Cl)c(Br)c1 112356920 ZZDBOFSRIQMPJM-UHFFFAOYSA-N 467.519 3.084 70 10 JGIE O=S(=O)(Cl)c1cnc(Br)c(OC(F)(F)F)c1I 396150713 DEPFNOVSJBHMSN-UHFFFAOYSA-N 466.400 3.275 70 10 JGIE O=C(CCCNC(=O)OCC1c2ccccc2-c2ccccc21)NC1CCN(S(=O)(=O)F)CC1 1974394352 HVDJAZQMUQCVNB-UHFFFAOYSA-N 489.569 3.100 70 10 JGIE COc1ccc(OC)c(-c2cc(C(=O)Nc3cnn(C[C@H]4COc5ccccc5O4)c3)[nH]n2)c1 218250422 VUBROTCZKUCLKY-KRWDZBQOSA-N 461.478 3.383 70 10 JGIE F[B-](F)(F)c1cnc(N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)c(Br)c1 2172758063 LCYFESGEGFGMTI-ZWKOTPCHSA-N 455.107 3.378 70 10 JGIE Cc1cc(Br)c(S(=O)(=O)NCCOCC(F)(F)F)cc1Br 159656037 RYHRIOMUSRCKTL-UHFFFAOYSA-N 455.090 3.377 70 10 JGIE COC(=O)c1ccccc1NC(=O)NCCCN1C(=O)c2ccc(Br)cc2C1=O 217306469 RETQKWXPDHZQDN-UHFFFAOYSA-N 460.284 3.044 70 10 JGIE O=C(NCCCN1C(=O)c2ccc(Br)cc2C1=O)Nc1cc(Br)ccn1 217306753 UTSZMGDBDAMUBR-UHFFFAOYSA-N 482.132 3.414 70 10 JGIE O=C(Nc1cnn(C[C@H]2COc3ccccc3O2)c1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 218270532 IUOSVYYSTNOBLF-BEFAXECRSA-N 452.898 3.368 70 10 JGIE CCCc1ccc(OCNC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 217293873 KADZRKPGLWCXPZ-UHFFFAOYSA-N 467.975 3.471 70 10 JGIE O=S(=O)(Cl)c1c(I)ccc(OC(F)F)c1I 2055332383 ZVZVWVHBHZTWNH-UHFFFAOYSA-N 494.422 3.425 70 10 JGIE O=S(=O)(Cl)c1c(I)ncc(C(F)F)c1I 238554571 WHDCUDRCKRRQQF-UHFFFAOYSA-N 479.411 3.156 70 10 JGIE CC(C)(C)OC(=O)Nc1ccc(Br)c(C(=O)N2CC[C@H](S(=O)(=O)F)C2)c1 2124725102 YXSQFDPLSFGWRD-NSHDSACASA-N 451.314 3.310 70 10 JGIE CC(C)(C)OC(=O)c1cc(OS(=O)(=O)F)cc(N2CCN(C(=O)OC(C)(C)C)CC2)c1 1887551636 HEHWYPSMDWEBAS-UHFFFAOYSA-N 460.524 3.292 70 10 JGIE O=C(Nc1ccccc1-c1cn2ccsc2n1)[C@@H]1CCCCN1c1ccc(-n2cncn2)nn1 218569274 XMRGOQMJMSXNLI-IBGZPJMESA-N 471.550 3.431 70 10 JGIE COc1ccc(OC)c(-c2cc(C(=O)Nc3cnn(C[C@@H]4COc5ccccc5O4)c3)n(C)n2)c1 218275505 VTASERWOYMIJJZ-GOSISDBHSA-N 475.505 3.393 70 10 JGIE CCOC(=O)c1ccc(CNC(=O)NCCCN2C(=O)c3ccc(Br)cc3C2=O)cc1 217306723 HNCGOYYCRDVNAL-UHFFFAOYSA-N 488.338 3.111 70 10 JGIE COc1cc(-c2cc(C(=O)NC[C@H]3CCCN(c4nccs4)C3)[nH]n2)cc(OC)c1OC 218163642 VIWJRTCBROVTHK-CQSZACIVSA-N 457.556 3.205 70 10 JGIE Cc1c(CS(=O)(=O)F)cc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1B1OC(C)(C)C(C)(C)O1 1887520227 MLCQQAUCQBFQNE-UHFFFAOYSA-N 498.426 3.151 70 10 JGIE CCS(=O)(=O)[C@@H]1CSCCN1C(=O)c1cc(Br)ccc1Br 160601091 NZMPYAPHTTWASH-GFCCVEGCSA-N 457.209 3.161 70 10 JGIE O=S(=O)(Cl)c1nc(OC(F)(F)F)cc(I)c1Br 396148593 FCUICCREPOPGBU-UHFFFAOYSA-N 466.400 3.275 70 10 JGIE COc1ccc(OC)c(-c2cc(C(=O)Nc3cnn(C[C@H]4COc5ccccc5O4)c3)n(C)n2)c1 218275540 VTASERWOYMIJJZ-SFHVURJKSA-N 475.505 3.393 70 10 JGIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)[C@@H]3CC(=O)N(C(C)C)C3)c2)cc1 216680140 NBMOUKBBFCKKGW-LJQANCHMSA-N 467.522 3.347 70 10 JGIE CCCCn1c(C(=O)NC[C@H]2CCCN2c2nccs2)cc2c(=O)n3ccccc3nc21 217752394 TVWPBWHILVNXEF-MRXNPFEDSA-N 450.568 3.305 70 10 JGIE COc1ccc(C(=O)N2CCC(NC(=O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)CC2)cc1OC 216888824 HBTSCMQQMVKSSS-NQIIRXRSSA-N 479.577 3.034 70 10 JGIE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2ccccc2S(=O)(=O)F)CCN(Cc2ccccc2)C1 2124716722 DDGBUHJBTSYMOI-HSZRJFAPSA-N 477.558 3.453 70 10 JGIE CC1(C)C[C@H](NC(=O)c2[nH]nc(Br)c2S(=O)(=O)Cl)[C@@H]1OCc1ccccc1 2190744731 MIZRPAOPAOJHQS-FZMZJTMJSA-N 476.780 3.213 70 10 JGIE CCc1ccc(I)c(S(=O)(=O)Cl)c1I 2060145255 AGHGRIPFROACPB-UHFFFAOYSA-N 456.470 3.386 70 10 JGIE CCOc1cc(I)cc(I)c1S(=O)(=O)Cl 2060129046 CVKROCUWIFHDPR-UHFFFAOYSA-N 472.469 3.222 70 10 JGIE O=C(Nc1cnn(C[C@H]2COc3ccccc3O2)c1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 218268162 DHPRFOGURSZGCU-FQEVSTJZSA-N 482.562 3.150 70 10 JGIE COCCCN1C(=O)c2ccc(NC(=O)NCCc3ccc(Br)cc3)cc2C1=O 217281061 UNQXNWFWLGPIOO-UHFFFAOYSA-N 460.328 3.446 70 10 JGIE Nc1ccc(NC(=O)NCCCN2C(=O)c3ccc(Br)cc3C2=O)c(Cl)c1 217306490 REXLGJIMYFJCFX-UHFFFAOYSA-N 451.708 3.493 70 10 JGIE O=S(=O)(Cl)c1cc(I)c(OC(F)(F)F)nc1Br 396178426 JAGIADIQBKQOMU-UHFFFAOYSA-N 466.400 3.275 70 10 JGIE COc1cccc(/C=C/NC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1 217938343 HXYYZVSGPXAACK-BQYQJAHWSA-N 451.932 3.162 70 10 JGIE Cc1c(CN2CCN(C(=O)OC(C)(C)C)CC2)cc(I)cc1S(=O)(=O)F 1887504854 IIJMPJAHQDHEJV-UHFFFAOYSA-N 498.358 3.311 70 10 JGIE O=S(=O)(Cl)c1cc(C(F)F)nc(I)c1I 238692853 NBGGMFJUZCAXNW-UHFFFAOYSA-N 479.411 3.156 70 10 JGIE CCc1cc(I)cc(S(=O)(=O)Cl)c1I 2060146497 RZVOIIYYXQRFCY-UHFFFAOYSA-N 456.470 3.386 70 10 JGIE CC[C@H](C)S(=O)(=O)Nc1cc(C)c(S(=O)(=O)Cl)cc1I 2240635140 ANRZRGFEWHSNLE-QMMMGPOBSA-N 451.735 3.067 70 10 JGIE O=S(=O)(Cl)c1c(I)cc(OC(F)(F)F)nc1Br 396171081 MHSOEBLAXBCHMT-UHFFFAOYSA-N 466.400 3.275 70 10 JGIE COc1cccc(N2C[C@H](C(=O)NCCn3nc(-c4ccccn4)c4c3CCCC4)CC2=O)c1 217493617 BJKWARAGXOAFKR-GOSISDBHSA-N 459.550 3.002 70 10 JGIE O=C(NC[C@@H]1CCCN1c1nccs1)c1cccc(NS(=O)(=O)c2ccccc2F)c1 217745676 SWQOXLQRAQMURS-KRWDZBQOSA-N 460.556 3.482 70 10 JGIE COc1ccc(C(=O)N2CCCN(C(=O)Cc3ccc(Br)cc3)CC2)cc1OC 216859403 OFRONEYWQPZGEZ-UHFFFAOYSA-N 461.356 3.384 70 10 JGIE CCOC(=O)[C@H](Cc1ccc(OS(=O)(=O)C(F)(F)F)cc1)NC(=O)c1c(F)cccc1F 114845854 IWRXPWMMSMWEEM-HNNXBMFYSA-N 481.395 3.097 70 10 JGIE CCOC(=O)Oc1ccc(C(=O)NCCCNC(=O)Cc2ccccc2Br)cc1 216707437 GKVPCSNPPUJIRK-UHFFFAOYSA-N 463.328 3.463 70 10 JGIE CCN(CC)S(=O)(=O)c1ccc(C(=O)NCCn2nc(-c3ccncc3)c3c2CCCC3)cc1 217457887 ZVIFIZXHNYTWBG-UHFFFAOYSA-N 481.622 3.284 70 10 JGIE O=C(N/C=C/c1cccc(Br)c1)N1CCN(S(=O)(=O)c2ccccc2)CC1 218093949 YLIKLGZBABMVBU-MDZDMXLPSA-N 450.358 3.136 70 10 JGIE O=S(=O)(Cl)c1cc(C(F)F)c(I)c(I)n1 238693904 BOJRKOLJKLESCI-UHFFFAOYSA-N 479.411 3.156 70 10 JGIE COc1ccc(C(=O)NCC2CCN(C(=O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)CC2)cc1OC 216869817 OIZBOLPMMLXHIQ-CVDCTZTESA-N 493.604 3.282 70 10 JGIE COc1ccc(C(=O)NC2CCN(C(=O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)CC2)cc1OC 216888640 UCNGJNASKABOHX-NQIIRXRSSA-N 479.577 3.034 70 10 JGIE COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)/C=C/c1cc(OC)c(OC)c(OC)c1 217955758 PBTSLVVXGPEVDR-JBMMNVDBSA-N 459.470 3.086 70 10 JGIE Cc1cc2ncc(CCCNC(=O)c3cccc(NS(=O)(=O)c4ccccc4F)c3)cn2n1 218020023 WEOWLXAUBIHPLM-UHFFFAOYSA-N 467.526 3.340 70 10 JGIE O=C(NCCc1ccc(Cl)cc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 217308541 VLDPAFNHTRFCJX-UHFFFAOYSA-N 458.367 3.379 70 10 JGIE CCOC(=O)Oc1ccc(C(=O)NCCCNC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)cc1 216700912 IEKFXVXUAFQNEL-WIYYLYMNSA-N 481.549 3.068 70 10 JGIE COCCOCCOc1c(Br)cc(S(=O)(=O)Cl)cc1Br 112349119 DQNJDOFGUGPMBJ-UHFFFAOYSA-N 452.548 3.181 70 10 JGIE O=S(=O)(Cl)c1ncc(Br)c(OC(F)(F)F)c1I 396146699 BNDNDVXJAAGOLJ-UHFFFAOYSA-N 466.400 3.275 70 10 JGIE O=S(=O)(Cl)c1nc(I)c(I)cc1C(F)F 238683752 BMPJDQJOKDRGAC-UHFFFAOYSA-N 479.411 3.156 70 10 JGIE CCOc1cc(S(=O)(=O)Cl)c(I)cc1I 2060129588 PHKPYQADERWWNU-UHFFFAOYSA-N 472.469 3.222 70 10 JGIE O=S(=O)(Cl)c1cc(Cl)cc(I)c1I 2060090193 VZVDKIIRGBMPSG-UHFFFAOYSA-N 462.861 3.477 70 10 JGIE O=C(OC[C@@H]1O[C@@H](Cl)C[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 34215377 POTGITUQPKNDER-YESZJQIVSA-N 450.787 3.239 70 10 JGIE O=C(NCCCN1C(=O)c2ccc(Br)cc2C1=O)Nc1ccccc1N1CCOCC1 217306600 XPCWHFKISRMSNU-UHFFFAOYSA-N 487.354 3.094 70 10 JGIE CCn1c(-c2cc(I)ccc2Br)nnc1S(=O)(=O)Cl 234230494 MVQITHWZBSZYSK-UHFFFAOYSA-N 476.521 3.260 70 10 JGIE O=S(=O)(Cl)c1c(I)cnc(Br)c1OC(F)(F)F 396153113 GPKNHHLBDUNCHO-UHFFFAOYSA-N 466.400 3.275 70 10 JGIE O=S(=O)(Cl)c1c(OC(F)(F)F)cc(Br)nc1I 396181970 OXWDGPZWGNJSEU-UHFFFAOYSA-N 466.400 3.275 70 10 JGIE COc1ccc(C(=O)N2CCC(NC(=O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)CC2)cc1OC 216888738 HBTSCMQQMVKSSS-RXVVDRJESA-N 479.577 3.034 70 10 JGIE COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1ccc(I)cc1 217951877 FKUYENIERMPIQW-HOCLYGCPSA-N 469.250 3.265 70 10 JGIE O=C(CCNS(=O)(=O)c1c(Cl)cccc1Cl)NC[C@H]1CCCN1c1ccccc1 217821094 DRWLMJRWOZSPKE-MRXNPFEDSA-N 456.395 3.447 70 10 JGIE COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1S(=O)(=O)c1ccc(OCC(C)C)cc1 217995670 MDHNBDAWHNCQKL-FXAWDEMLSA-N 451.516 3.244 70 10 JGIE O=S(=O)(Cl)c1c(Br)ncc(OC(F)(F)F)c1I 396174106 UBILKELZCUHELP-UHFFFAOYSA-N 466.400 3.275 70 10 JGIE CC[C@H](C)NC(=O)COc1c(Br)cc(S(=O)(=O)Cl)cc1Br 215852789 FWHOPXZQFYLFJD-ZETCQYMHSA-N 463.575 3.433 70 10 JGIE O=C(NC[C@H]1CCCN1c1nccs1)c1ccc(NS(=O)(=O)c2ccccc2F)cc1 217742411 CBVCUTVOVQRMPH-QGZVFWFLSA-N 460.556 3.482 70 10 JGIE CCOC(=O)Oc1ccc(C(=O)NCCCNC(=O)CCc2ccc(OCC)c(OC)c2)cc1 216705391 NYPOPCADNFKXNO-UHFFFAOYSA-N 472.538 3.498 70 10 JGIE COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1cc(-c2cc(OC)ccc2OC)nn1C 217899838 ANMGLYDIQKSURQ-IERDGZPVSA-N 483.496 3.079 70 10 JGIE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@H](S(=O)(=O)F)C1 1984694259 JESIENVPDRYPOT-AOMKIAJQSA-N 474.554 3.450 70 10 JGIE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1CCN(S(=O)(=O)F)CC1 1974393988 AZHNHBHGXSWGMA-UHFFFAOYSA-N 489.569 3.099 70 10 JGIE CC(C)(C)OC(=O)Nc1cc(I)cc(C(=O)N2CC(CS(=O)(=O)F)C2)c1 2134972712 HLMJFMQPZFODTG-UHFFFAOYSA-N 498.314 3.010 70 10 JGIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)[C@H]2CC(=O)N(C(C)C)C2)cc1 216654554 BIOPCLWIVJCCGS-IBGZPJMESA-N 467.522 3.347 70 10 JGIE Cc1nnc(COc2c(Br)cc(S(=O)(=O)Cl)cc2Br)n1C 215852543 XAYYSMYJYGCSEX-UHFFFAOYSA-N 459.547 3.155 70 10 JGIE COc1cccc(OC)c1NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 217270665 WJHCSZLSWDIFHJ-UHFFFAOYSA-N 455.920 3.022 70 10 JGIE CCOc1ccc(CCC(=O)NC2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc1OC 216891172 DYEDTCMMHYNPBX-UHFFFAOYSA-N 470.566 3.465 70 10 JGIE C[S@@](=O)CCCCNC(=O)c1csc(S(=O)(=O)Cl)c1OCc1ccccc1 2166650720 KUTSDQXXHGKMJE-AREMUKBSSA-N 450.003 3.143 70 10 JGIE CCCn1c(C(=O)NC[C@@H]2CCCN(c3nccs3)C2)cc2c(=O)n3ccccc3nc21 218141712 GFGYVYJFZKKWLB-INIZCTEOSA-N 450.568 3.162 70 10 JGIE COc1cc(-c2cc(C(=O)Nc3cnn(C[C@H]4COc5ccccc5O4)c3)[nH]n2)cc(OC)c1OC 218275834 RGCQAINRPKKQGN-KRWDZBQOSA-N 491.504 3.391 70 10 JGIE COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)Nc1ccc(S(=O)(=O)F)cc1 865203880 BAYDEGULOCYZSK-UHFFFAOYSA-N 468.462 3.402 70 10 JGIE O=S(=O)(Cl)c1c(OC(F)(F)F)ncc(Br)c1I 396158001 OTQYZXVZVPZLIQ-UHFFFAOYSA-N 466.400 3.275 70 10 JGIE COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1cc(-c2cc(OC)ccc2OC)nn1C 217899737 ANMGLYDIQKSURQ-HRAATJIYSA-N 483.496 3.079 70 10 JGIE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(S(=O)(=O)F)nc1 2060818490 QEBMOHONZLFBRG-KSSFIOAISA-N 467.519 3.177 70 10 JGIE COc1cccc(N2C[C@@H](C(=O)NCCn3nc(-c4ccncc4)c4c3CCCC4)CC2=O)c1 217456592 IACWISJUBZKBMX-IBGZPJMESA-N 459.550 3.002 70 10 JGIE Cc1c(CS(=O)(=O)F)cc(I)cc1N1CCN(C(=O)OC(C)(C)C)CC1 1887520291 VJDLKGOPKHBWDJ-UHFFFAOYSA-N 498.358 3.456 70 10 JGIE CC[C@@H](C)S(=O)(=O)Nc1cc(C)c(S(=O)(=O)Cl)cc1I 2240635139 ANRZRGFEWHSNLE-MRVPVSSYSA-N 451.735 3.067 70 10 JGIE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)Nc1ccccc1S(=O)(=O)F 2010545236 SLLGAKDIAKEVHL-QGZVFWFLSA-N 452.504 3.393 70 10 JGIE CCCn1c(C(=O)N2CCC[C@]3(C2)OC(=O)c2ccccc23)cc2c(=O)n3ccccc3nc21 217580901 MTSZKUOGVZBKAD-AREMUKBSSA-N 456.502 3.361 70 10 JGIE COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)CCc1ccc(OC)c(OC)c1OC 217917180 RAKUGUVRHZFQJD-SJLPKXTDSA-N 461.486 3.006 70 10 JGIE O=S(=O)(Cl)c1cc(Cl)c(I)cc1I 2060090270 XUSNHBOSGGNLNG-UHFFFAOYSA-N 462.861 3.477 70 10 JGIE CCc1ccc(I)c(I)c1S(=O)(=O)Cl 2060140509 AHHQGLJECHDXFO-UHFFFAOYSA-N 456.470 3.386 70 10 JGIE Cc1cc2ncc(CCCNC(=O)c3cccc(NS(=O)(=O)c4cccc(F)c4)c3)cn2n1 218020125 GBMWDPZPXNCEAL-UHFFFAOYSA-N 467.526 3.340 70 10 JGIE F[B-](F)(F)c1cnc(N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)c(Br)c1 2172758061 LCYFESGEGFGMTI-QZTJIDSGSA-N 455.107 3.378 70 10 JGIE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@@H](S(=O)(=O)F)C2)cc1Br 2124724885 WJIYNJOPFOMXRH-LLVKDONJSA-N 451.314 3.310 70 10 JGIE C=CCOC(=O)c1sc(NC(=O)c2ccc(S(=O)(=O)F)cc2)c(C(=O)OCC)c1C 1352793671 UAWBXKKIAPBGFC-UHFFFAOYSA-N 455.485 3.487 70 10 JGIE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1CCN(S(=O)(=O)F)CC1 2301665440 VJVTVKKDPQGVDE-QFIPXVFZSA-N 489.569 3.099 70 10 JGIE Cc1c(I)cc(S(=O)(=O)F)cc1CN1CCN(C(=O)OC(C)(C)C)CC1 1887520176 FQGGJYFIRNVDRN-UHFFFAOYSA-N 498.358 3.311 70 10 JGIE O=S(=O)(Cl)c1nc(Br)c(I)cc1OC(F)(F)F 396173882 SQPLUURZAOVRNA-UHFFFAOYSA-N 466.400 3.275 70 10 JGIE NC(=S)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(I)c2)c1 160846646 CZAYPTZLVJTQBH-UHFFFAOYSA-N 452.726 3.380 70 10 JGIE COC[C@H](COc1c(Br)cc(S(=O)(=O)Cl)cc1Br)OC 694622572 NOAMRBRNFUCJTL-SSDOTTSWSA-N 452.548 3.179 70 10 JGIE O=S(=O)(Cl)c1cc(Br)c(OC(F)(F)F)c(I)n1 396150171 GXDNAPTYYFGCEN-UHFFFAOYSA-N 466.400 3.275 70 10 JGIE COCCCN1C(=O)c2ccc(NC(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2C1=O 217280980 BGEIOAHMBBJHHD-UHFFFAOYSA-N 456.930 3.327 70 10 JGIE CC(C)(C)OC(=O)Nc1cc(Br)ccc1C(=O)N1CC[C@@H](S(=O)(=O)F)C1 2124730341 RLZVOOZZYWNKIZ-LLVKDONJSA-N 451.314 3.310 70 10 JGIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)[C@@H]3CC(=O)N(C(C)C)C3)c2)cc1 216680031 FJRDYVBQMVIKBP-LJQANCHMSA-N 467.522 3.347 70 10 JGIE COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)CCc1ccc(OC)c(OC)c1OC 217917395 RAKUGUVRHZFQJD-WMZOPIPTSA-N 461.486 3.006 70 10 JGIE Cn1ccnc1CCOc1c(Br)cc(S(=O)(=O)Cl)cc1Br 122593925 AHYHSFKVMUQKPV-UHFFFAOYSA-N 458.559 3.494 70 10 JGIE Cc1nc(NC(=O)CN2CCC[C@H](C(=O)NC[C@H](c3ccccc3)N3CCCC3)C2)sc1C 216703737 DZZZPGDINBCHQU-FCHUYYIVSA-N 469.655 3.364 70 10 JGIE CC(C)(C)OC(=O)Nc1cc(C(=O)N2CC[C@@H](S(=O)(=O)F)C2)ccc1Br 2124727000 IYVGSNWJQMLKMH-LLVKDONJSA-N 451.314 3.310 70 10 JGIE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N1CC[C@H]2C[C@@]2([B-](F)(F)F)C1 2364202653 VIJVGDGDSHOZDS-MGPUTAFESA-N 457.303 3.486 70 10 JGIE O=S(=O)(F)c1cc(Br)ccc1OCc1ncc(I)cn1 2381618335 CQAYYROGUAAMIA-UHFFFAOYSA-N 473.061 3.081 70 10 JGIE COc1ccc(C(=O)N2CCC(NC(=O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)CC2)cc1OC 216888865 HBTSCMQQMVKSSS-WIYYLYMNSA-N 479.577 3.034 70 10 JGIE CCCOc1ccc(S(=O)(=O)N2C[C@H](Oc3ccccc3F)C[C@@H]2C(=O)OC)cc1C 217995787 LFMOGOAXRRXPAF-VQIMIIECSA-N 451.516 3.307 70 10 JGIE O=S(=O)(Nc1cnn(C[C@H]2COc3ccccc3O2)c1)c1ccc(Br)s1 218299050 YLAHMPKZIDIGLO-LBPRGKRZSA-N 456.343 3.348 70 10 JGIE O=C(NCCc1ccccc1Cl)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 217365488 DWDAREAFGAABEA-UHFFFAOYSA-N 458.367 3.379 70 10 JGIE O=C1O[C@@]2(CCCN(C(=O)CCNS(=O)(=O)c3c(Cl)cccc3Cl)C2)c2ccccc21 217572596 VYWZISWMAUEOME-OAQYLSRUSA-N 483.373 3.350 70 10 JGIE CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cnn(C[C@H]3COc4ccccc4O3)c2)cc1 218267931 AHRCUMHIMIFWNC-IBGZPJMESA-N 470.551 3.006 70 10 JGIE CCOc1c(S(=O)(=O)Cl)ccc(I)c1I 2060130221 FAAOREHQJWGVRP-UHFFFAOYSA-N 472.469 3.222 70 10 JGIE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC(CCS(=O)(=O)F)C1 1901486613 XCIFEASLQJTGRG-JOCHJYFZSA-N 474.554 3.452 70 10 JGIE O=S(=O)(Cl)c1ccc(I)c(I)c1Cl 2060090411 BGIXDVCQIIFDJV-UHFFFAOYSA-N 462.861 3.477 70 10 JGIE COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)/C=C/c1cc(OC)c(OC)c(OC)c1 217955680 PBTSLVVXGPEVDR-NKHMXISVSA-N 459.470 3.086 70 10 JGIE COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)CCCCCN1C(=O)c2ccccc2C1=O 217926343 KSMRXXGZQQRZNF-LAUBAEHRSA-N 482.508 3.204 70 10 JGIE O=S(=O)(Cl)c1cc(Br)c(I)nc1OC(F)(F)F 396146659 BHAAOUNLSLEZDQ-UHFFFAOYSA-N 466.400 3.275 70 10 JGIE Cc1cc(NC(=O)C2(Br)CC2)c(I)cc1S(=O)(=O)Cl 2231923790 NICAJLABYKXLRZ-UHFFFAOYSA-N 478.533 3.393 70 10 JGIE O=C(NC[C@H]1CCCN1c1nccs1)c1cccc(NS(=O)(=O)c2ccccc2F)c1 217745759 SWQOXLQRAQMURS-QGZVFWFLSA-N 460.556 3.482 70 10 JGIE CC(C)(C)OC(=O)Nc1cc(Br)cc(C(=O)N2CC[C@H](S(=O)(=O)F)C2)c1 2124723999 LNVOOIWKYPWGGM-ZDUSSCGKSA-N 451.314 3.310 70 10 JGIE CCOC(=O)Oc1ccc(C(=O)NCCCNC(=O)c2ccc3nc(C)c(C)nc3c2)cc1 216703500 XFVROLDDWGTABM-UHFFFAOYSA-N 450.495 3.332 70 10 JGIE COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)n[nH]1 217963083 JKVXYWBGKYEUJR-HNAYVOBHSA-N 499.495 3.077 70 10 JGIE CC(C)(C)NC(=O)COc1c(Br)cc(S(=O)(=O)Cl)cc1Br 215852849 OZRDPJDZZQAMBG-UHFFFAOYSA-N 463.575 3.433 70 10 JGIE O=C(NCCn1nc(-c2ccncc2)c2c1CCCC2)c1ccc(S(=O)(=O)N2CCCCC2)cc1 217458093 LMHLJXPEGQCKTO-UHFFFAOYSA-N 493.633 3.429 70 10 JGIE C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(S(=O)(=O)F)nc1 2060818489 QEBMOHONZLFBRG-KDOFPFPSSA-N 467.519 3.177 70 10 JGIE COC[C@@H](COc1c(Br)cc(S(=O)(=O)Cl)cc1Br)OC 694622573 NOAMRBRNFUCJTL-ZETCQYMHSA-N 452.548 3.179 70 10 JGIE COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1S(=O)(=O)Cc1ccc(C(F)(F)F)cc1 217998150 QQKVOSIHRITEJV-WBVHZDCISA-N 461.433 3.369 70 10 JGIE C[C@H](CC[S@@](C)=O)NC(=O)c1csc(S(=O)(=O)Cl)c1OCc1ccccc1 2156359397 WOOGDQOJUWRIEK-MZHQLVBMSA-N 450.003 3.142 70 10 JGIE F[B-](F)(F)c1cnc(N2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)c(Br)c1 2172758062 LCYFESGEGFGMTI-ROUUACIJSA-N 455.107 3.378 70 10 JGIE F[B-](F)(F)c1cnc(N2CC[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)c(Br)c1 2185507067 LGVNDIUDLKKZDL-ROUUACIJSA-N 455.107 3.378 70 10 JGIE O=S(=O)(Cl)c1nc(I)cc(Br)c1OC(F)(F)F 396165479 XNAMBOVNWLZROY-UHFFFAOYSA-N 466.400 3.275 70 10 JGIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)[C@H]2CC(=O)N(C(C)C)C2)cc1 216654432 JNQQGMBTDLZRRJ-IBGZPJMESA-N 467.522 3.347 70 10 JGIE O=C(COc1c(Br)cc(S(=O)(=O)Cl)cc1Br)NCC1CC1 215862661 NHZGDOBTRRONPI-UHFFFAOYSA-N 461.559 3.044 70 10 JGIE O=S(=O)(Nc1cnn(C[C@@H]2COc3ccccc3O2)c1)c1ccc(Br)cc1 218292958 BPIPEHWMKLEMLI-OAHLLOKOSA-N 450.314 3.286 70 10 JGIE O=S(=O)(Cl)c1c(I)cnc(OC(F)(F)F)c1Br 396150269 HEOOYBTVFVAEGK-UHFFFAOYSA-N 466.400 3.275 70 10 JGIE COc1ccc(C(=O)N2CCC(NC(=O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)CC2)cc1OC 216888780 HBTSCMQQMVKSSS-GHTZIAJQSA-N 479.577 3.034 70 10 JGIE Nc1ccc(NC(=O)NCCCN2C(=O)c3ccc(Br)cc3C2=O)cc1Cl 217306491 ANXUKJFUROCUDV-UHFFFAOYSA-N 451.708 3.493 70 10 JGIE COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1cc(OC)ccc1Br 217897436 SZPDPVFRAFKDJU-DYVFJYSZSA-N 452.276 3.432 70 10 JGIE COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1c2ccc(Br)cc2nn1C 217920938 RGFWHIGCWAIVPN-SUMWQHHRSA-N 476.302 3.310 70 10 JGIE C=C(Br)CS(=O)(=O)Nc1ccc(S(=O)(=O)Cl)cc1Br 704594966 CFPQEIFDXLCFMW-UHFFFAOYSA-N 453.561 3.027 70 10 JGIE O=S(=O)(Cl)c1ccc(I)c(Cl)c1I 2060080169 RINJFPBSQTYLMK-UHFFFAOYSA-N 462.861 3.477 70 10 JGIE COc1ccc(C(=O)NC2CCN(C(=O)c3ccccc3I)CC2)cc1OC 216887008 CXUZFDAJPPVFRC-UHFFFAOYSA-N 494.329 3.343 70 10 JGIE O=C(c1ccc(OS(=O)(=O)C(F)(F)F)cc1)c1ccc(OS(=O)(=O)C(F)(F)F)cc1 142926810 LZLIWFNKLJXUTO-UHFFFAOYSA-N 478.344 3.374 70 10 JGIE COc1ccc(C(=O)NC2CCN(C(=O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)CC2)cc1OC 216888683 UCNGJNASKABOHX-WIYYLYMNSA-N 479.577 3.034 70 10 JGIE CC(C)CNC(=O)COc1c(Br)cc(S(=O)(=O)Cl)cc1Br 215852472 ARKGNQMNQYMHAT-UHFFFAOYSA-N 463.575 3.290 70 10 JGIE O=C(NCc1ccc(C(=O)c2ccccc2)s1)C(=O)Nc1cc2c3c(c1)CC(=O)N3CCC2 217294624 SBXXZHNSQLRFKL-UHFFFAOYSA-N 459.527 3.069 70 10 JGIE CCOc1ccc(CCC(=O)N2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc1OC 216856559 CYZWLOUNCZDKAI-UHFFFAOYSA-N 456.539 3.028 70 10 JGIE CCc1cc(I)c(S(=O)(=O)Cl)c(I)c1 2060146209 NEESHVSOTHPCKZ-UHFFFAOYSA-N 456.470 3.386 70 10 JGIE COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)CCc1c(OC)cc(OC)cc1OC 217917515 CDEBMJDBGIPOLO-VQIMIIECSA-N 461.486 3.006 70 10 JGIE O=C(NCCc1cccc(Cl)c1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 217458352 RGUCPQGNVHLPRF-UHFFFAOYSA-N 458.367 3.379 70 10 JGIE COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)n[nH]1 217963013 JKVXYWBGKYEUJR-DNVCBOLYSA-N 499.495 3.077 70 10 JGIE O=S(=O)(Cl)c1c(Cl)ccc(I)c1I 2060089635 JCYUHXRIIJIZEI-UHFFFAOYSA-N 462.861 3.477 70 10 JGIE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)Cl)c(Cl)c1 2146002760 KMXSNQOMDLBEEJ-UHFFFAOYSA-N 491.374 3.086 70 10 JGIE CCOc1ccc(OCC(=O)NCC2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc1 216875938 VNLVUFWBTHXZBD-UHFFFAOYSA-N 456.539 3.150 70 10 JGIE COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1S(=O)(=O)Cc1cccc(C(F)(F)F)c1 218007755 OHUKHUZTCGZIRT-RDJZCZTQSA-N 461.433 3.369 70 10 JGIE O=C(NCc1ccc(C(=O)c2ccco2)s1)C(=O)Nc1cccc(N2CCCCC2=O)c1 217293108 JLNZNXNCJZQJGZ-UHFFFAOYSA-N 451.504 3.344 70 10 JGIE Cc1cccc(S(=O)(=O)NC2(C(=O)NC[C@@H]3CCCN3c3nccs3)CCCCC2)c1 217743928 SNRMRGIBWXCXOX-SFHVURJKSA-N 462.641 3.218 70 10 JGIE COc1ccc(NC(=O)NCCCN2C(=O)c3ccc(Br)cc3C2=O)c(OC)c1 217306555 BIDQWJIXZYWDIZ-UHFFFAOYSA-N 462.300 3.274 70 10 JGIE Cc1cc(C)c(C)c(S(=O)(=O)NCCC(=O)NC[C@H]2CCCN(c3nccs3)C2)c1C 218135094 YLIMWGDUHXPZMU-LJQANCHMSA-N 464.657 3.078 70 10 JGIE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@H](S(=O)(=O)F)C1 1984694262 JESIENVPDRYPOT-KSFYIVLOSA-N 474.554 3.450 70 10 JGIE O=S(=O)(Cl)c1c(I)ccc(Cl)c1I 2060084012 JMMLXFFJLROKLD-UHFFFAOYSA-N 462.861 3.477 70 10 JGIE COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1c2ccc(Br)cc2nn1C 217921005 RGFWHIGCWAIVPN-DYVFJYSZSA-N 476.302 3.310 70 10 JGIE CCOc1cc(I)c(S(=O)(=O)Cl)cc1I 2060129079 DLFMRPOWSZSNLI-UHFFFAOYSA-N 472.469 3.222 70 10 JGIE CCC(=O)Nc1ccc(S(=O)(=O)Nc2cnn(C[C@@H]3COc4ccccc4O3)c2)c(C)c1 218302607 WMSUOSQJIIYHSS-GOSISDBHSA-N 456.524 3.181 70 10 JGIE CN(C(=O)NCCCOc1ccc(C(C)(C)C)cc1Br)[C@@H]1CCS(=O)(=O)C1 217298635 DXONNPTXGJOIAL-OAHLLOKOSA-N 461.422 3.344 70 10 JGIE O=S(=O)(Cl)c1cnc(I)c(OC(F)(F)F)c1Br 396154730 LKAKMHJHSRIXKT-UHFFFAOYSA-N 466.400 3.275 70 10 JGIE CC1(C)CC(N)CC(C)(C)N1C(=O)NCCCN1C(=O)c2ccc(Br)cc2C1=O 217306541 HUPSKRKYBZJPRK-UHFFFAOYSA-N 465.392 3.125 70 10 JGIE O=S(=O)(Cl)c1cc(I)c(I)cc1OC(F)F 2055328080 HHCPONYDVGENPI-UHFFFAOYSA-N 494.422 3.425 70 10 JGIE O=C(CCNS(=O)(=O)c1c(Cl)cccc1Cl)NC[C@@H]1CCCN(c2nccs2)C1 218133274 HOWKDRIXTVUJNG-ZDUSSCGKSA-N 477.439 3.151 70 10 JGIE Cc1cccc(OCNC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1C 217291227 CKDGCRSSQCLHMV-UHFFFAOYSA-N 453.948 3.136 70 10 JGIE O=C(CCCN1C(=O)c2ccccc2C1=O)NCCn1nc(-c2ccncc2)c2c1CCCC2 217456199 LRWBYOCFFNHWRB-UHFFFAOYSA-N 457.534 3.017 70 10 JGIE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC(S(=O)(=O)F)C1 1992831032 LFYLFQMANUNFQN-NYHFZMIOSA-N 474.554 3.450 70 10 JGIE C[C@H](CC[S@](C)=O)NC(=O)c1csc(S(=O)(=O)Cl)c1OCc1ccccc1 2156359401 WOOGDQOJUWRIEK-RYZVSIALSA-N 450.003 3.142 70 10 JGIE CC(C)S(=O)(=O)c1ccc(CC(=O)NCCn2nc(-c3ccncc3)c3c2CCCC3)cc1 217457474 DZYVXVQOIBVSFH-UHFFFAOYSA-N 466.607 3.365 70 10 JGIE COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1ccc(I)cc1 217952104 FKUYENIERMPIQW-GDBMZVCRSA-N 469.250 3.265 70 10 JGIE COc1ccc(OC)c(NC(=O)NCCCN2C(=O)c3ccc(Br)cc3C2=O)c1 217306466 XSFRTDDCXMKHRX-UHFFFAOYSA-N 462.300 3.274 70 10 JGIE CC(C)(C)OC(=O)NC1(CC(=O)N2CCC(S(=O)(=O)F)CC2)CCN(Cc2ccccc2)CC1 2181141395 LCNFUKMVOKZIIH-UHFFFAOYSA-N 497.633 3.226 70 10 JGIE CCOc1ccc(OCC(=O)N2CCC(CNC(=O)c3ccc(OC)c(OC)c3)CC2)cc1 216875877 UAZXIKXGLSWCKV-UHFFFAOYSA-N 456.539 3.150 70 10 JGIE COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1ccc(I)cc1 217952030 FKUYENIERMPIQW-ZBFHGGJFSA-N 469.250 3.265 70 10 JGIE CC(C)(C)OC(=O)NCCN(Cc1ccccc1)S(=O)(=O)c1cccc(S(=O)(=O)F)c1 1964003699 KLFUJCSQAFKGLB-UHFFFAOYSA-N 472.560 3.060 70 10 JGIE O=C(NCCCN1C(=O)c2ccc(Br)cc2C1=O)NCCc1c[nH]c2ccccc12 217306673 BSZMADRXFRJMJE-UHFFFAOYSA-N 469.339 3.458 70 10 JGIE C=C(Br)CS(=O)(=O)Nc1ccc(S(=O)(=O)Cl)c(Br)c1 707623935 XRBZQZXRDKARSK-UHFFFAOYSA-N 453.561 3.027 70 10 JGIE O=S(=O)(Cl)c1c(OC(F)(F)F)cnc(I)c1Br 396160485 ROMOOHJXENZQHV-UHFFFAOYSA-N 466.400 3.275 70 10 JGIE O=S(=O)(Cl)c1cc(OC(F)F)c(I)cc1I 2055322408 FDGCYVPQZFSTQP-UHFFFAOYSA-N 494.422 3.425 70 10 JGIE F[B-](F)(F)c1cnc(N2CC[C@H]3OCCN(Cc4ccccc4)[C@H]3C2)c(Br)c1 2185507070 LGVNDIUDLKKZDL-ZWKOTPCHSA-N 455.107 3.378 70 10 JGIE O=C(Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)N1CCN(C(=O)c2ccco2)CC1 217281434 DQIKLGZXCAWTIY-UHFFFAOYSA-N 450.495 3.198 70 10 JGIE CC(C)(C)OC(=O)c1ccc(N2CCN(C(=O)C(F)(F)F)CC2)cc1NC1CCOCC1 218651004 QUIRMPZWGVCIMK-UHFFFAOYSA-N 457.493 3.444 70 10 JGIE CC(C)S(=O)(=O)c1ccc(CC(=O)NCCn2nc(C(F)(F)F)c3c2CCCC3)cc1 217532423 OPJAMBDMVWUXJA-UHFFFAOYSA-N 457.518 3.322 70 10 JGIE O=C(Nc1cnn(C[C@H]2COc3ccccc3O2)c1)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 218251847 FDVSMFUWJVGGJX-BEFAXECRSA-N 497.349 3.477 70 10 JGIE CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)S(=O)(=O)c2cccc(S(=O)(=O)F)c2)C1 2044535906 IZYHJMQVADLSHR-UHFFFAOYSA-N 484.571 3.155 70 10 JGIE O=C(NCCn1nc(-c2ccccn2)c2c1CCCC2)c1ccc(S(=O)(=O)N2CCCCC2)cc1 217495259 MDDSDXSXRYFPIV-UHFFFAOYSA-N 493.633 3.429 70 10 JGIE CC1(C)[C@@H](NC(=O)c2[nH]nc(Br)c2S(=O)(=O)Cl)C[C@H]1OCc1ccccc1 2190729112 JWHCMUDMKNLVJT-NWDGAFQWSA-N 476.780 3.213 70 10 JGIE CC1(C)[C@@H](OCc2ccccc2)C[C@H]1NC(=O)c1[nH]nc(Br)c1S(=O)(=O)Cl 2190729111 JWHCMUDMKNLVJT-NEPJUHHUSA-N 476.780 3.213 70 10 JGIE O=S(=O)(Cl)c1c(C(F)F)cnc(I)c1I 238554320 IDQYFZQIIZFQGN-UHFFFAOYSA-N 479.411 3.156 70 10 JGIE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1S(=O)(=O)F 2060812884 DGXQLUKNRVJNEJ-SFHVURJKSA-N 465.547 3.309 70 10 JGIE CCCn1c(C(=O)N2C[C@@H](Oc3ccccc3F)C[C@@H]2C(=O)OC)cc2c(=O)n3ccccc3nc21 217921662 UCONITGLUNGLCA-OXJNMPFZSA-N 492.507 3.033 70 10 JGIE CC(C)(C)OC(=O)Nc1cc(I)cc(C(=O)N2CC[C@H](S(=O)(=O)F)C2)c1 2124725894 CCTPDGKIYKNLHZ-ZDUSSCGKSA-N 498.314 3.152 70 10 JGIE COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)CCCCCN1C(=O)c2ccccc2C1=O 217926490 KSMRXXGZQQRZNF-DYESRHJHSA-N 482.508 3.204 70 10 JGIE COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1S(=O)(=O)Cc1ccc(C(F)(F)F)cc1 217998011 QQKVOSIHRITEJV-RDJZCZTQSA-N 461.433 3.369 70 10 JGIE O=C(Nc1cnn(C[C@@H]2COc3ccccc3O2)c1)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 218251899 FDVSMFUWJVGGJX-DNVCBOLYSA-N 497.349 3.477 70 10 JGIE COc1ccc(N2C[C@H](C(=O)NCCn3nc(-c4ccncc4)c4c3CCCC4)CC2=O)cc1 217456699 HDIJWYDGZLUXBL-LJQANCHMSA-N 459.550 3.002 70 10 JGIE CCS(=O)(=O)CCCOc1c(Br)cc(S(=O)(=O)Cl)cc1Br 115627426 OTASVONJFLUWJC-UHFFFAOYSA-N 484.615 3.343 70 10 JGIE CC1(C)C[C@@H](NC(=O)c2[nH]nc(Br)c2S(=O)(=O)Cl)[C@H]1OCc1ccccc1 2190744730 MIZRPAOPAOJHQS-BXUZGUMPSA-N 476.780 3.213 70 10 JGIE Cc1cc(Br)c(S(=O)(=O)N(CCO)CC(F)(F)F)cc1Br 159568883 VTTWJKFOLHMTDE-UHFFFAOYSA-N 455.090 3.065 70 10 JGIE O=S(=O)(Nc1cnn(C[C@@H]2COc3ccccc3O2)c1)c1ccccc1OC(F)(F)F 218302947 NJPIWEUKRMKCIH-CQSZACIVSA-N 455.414 3.423 70 10 JGIE O=C(NCc1ccc(C(=O)c2ccsc2)s1)C(=O)Nc1cc2c3c(c1)CC(=O)N3CCC2 217293886 OYCACVMOVXKEBF-UHFFFAOYSA-N 465.556 3.131 70 10 JGIE CCN(C(=O)NCCCOc1ccc(Br)cc1Cl)[C@@H]1CCS(=O)(=O)C1 217299045 PSSOKJRQFCLQDW-CYBMUJFWSA-N 453.786 3.090 70 10 JGIE O=C(NCCc1ccc(S(=O)(=O)Cl)s1)c1cccc(I)c1 59082108 YRIVWUJYHSBSCK-UHFFFAOYSA-N 455.726 3.253 70 10 JGIE Cc1cc(C)c(C)c(S(=O)(=O)NCCC(=O)N2CCC3(CC2)OC(=O)c2ccccc23)c1C 217521185 HGDSAEHIEXECBE-UHFFFAOYSA-N 470.591 3.277 70 10 JGIE O=S(=O)(Cl)c1cc(Br)nc(OC(F)(F)F)c1I 396169795 KHGNLTIJCSADHJ-UHFFFAOYSA-N 466.400 3.275 70 10 JGIE CCOc1cc(I)cc(S(=O)(=O)Cl)c1I 2060129674 QRXCFLHVCHAKMB-UHFFFAOYSA-N 472.469 3.222 70 10 JGIE CC(C)(C)OC(=O)Nc1cc(Br)cc(C(=O)N2CC(CS(=O)(=O)F)C2)c1 2134973431 QVUUHCCNZKEXIK-UHFFFAOYSA-N 451.314 3.167 70 10 JGIE COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1S(=O)(=O)c1ccc(OC(F)(F)F)cc1 217996790 YZBZSWNJGDYOLF-CZUORRHYSA-N 463.405 3.108 70 10 JGIE CC1(C)C[C@H](NC(=O)c2[nH]nc(Br)c2S(=O)(=O)Cl)[C@H]1OCc1ccccc1 2190744733 MIZRPAOPAOJHQS-SMDDNHRTSA-N 476.780 3.213 70 10 JGIE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@H](S(=O)(=O)F)C2)cc1I 2124727379 KJBOYAHCEIBXGE-NSHDSACASA-N 498.314 3.152 70 10 JGIE O=C(CCNS(=O)(=O)c1c(Cl)cccc1Cl)NC[C@@H]1CCCN1c1ccccc1 217821172 DRWLMJRWOZSPKE-INIZCTEOSA-N 456.395 3.447 70 10 JGIE CCn1c(-c2ccc(Br)cc2I)nnc1S(=O)(=O)Cl 2142279012 KRHGLCJEZUXTRN-UHFFFAOYSA-N 476.521 3.260 70 10 JGIE CCOc1cc(I)c(I)cc1S(=O)(=O)Cl 2060125853 QRBJQUZEVAMHOM-UHFFFAOYSA-N 472.469 3.222 70 10 JGIE