smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)[C@@H](C)Oc2ccc(C(C)C)cc2)cc1 216656056 AWKYEDJSXZJFHI-HXUWFJFHSA-N 504.583 5.681 70 10 KKIE Cc1sc2nc(SCC(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)n(-c3ccccc3)c(=O)c2c1-c1ccccc1 160553216 OZOSYZNRPDVHOF-UHFFFAOYSA-N 630.817 6.328 70 10 KKIE O=S(=O)(Cl)c1ccc(Oc2cc(Br)cc(Br)c2)c(Br)c1 2364233290 YGLPFNJOIITGBT-UHFFFAOYSA-N 505.409 5.694 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)c3cc(OCC)c(OCC)c(OCC)c3)cc2)cc1 216624898 XUZFYZMNJLIRPC-UHFFFAOYSA-N 550.608 5.600 70 10 KKIE CC(C)(C)c1ccc(OCCCNC(=O)N2CCN(c3cccc(Cl)c3)CC2)c(Br)c1 217298708 MOTUCNQTFHLMNH-UHFFFAOYSA-N 508.888 5.701 70 10 KKIE O=S(=O)(Cl)c1cccc(Oc2c(I)cc(Cl)cc2I)c1 312572357 JMXRXISREYNTSH-UHFFFAOYSA-N 554.958 5.269 70 10 KKIE Cc1cc(Br)c(S(=O)(=O)Nc2cc(Br)ccc2Br)cc1Br 159562704 NELCNMBFGDIAKP-UHFFFAOYSA-N 562.903 5.846 70 10 KKIE O=C(NCCCOc1ccc(Br)cc1Cl)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 217299090 WEGVRTDBXDOLMN-UHFFFAOYSA-N 519.667 6.731 70 10 KKIE Cc1ccc(S(=O)(=O)/N=C(/C(c2ccccc2)=P(c2ccccc2)(c2ccccc2)c2ccccc2)N(C)C(=S)NC(C)(C)C)cc1 195752373 PHHIAYCFCSCXGJ-PEBWWBBQSA-N 677.876 6.902 70 10 KKIE CC(C)(C)OC(=O)Nc1cc(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(OS(=O)(=O)F)c1 1887514358 IGNGPVOJVAPDOT-UHFFFAOYSA-N 611.692 5.693 70 10 KKIE CC(C)c1ccc(C=C2SC(C(C#N)=P(c3ccccc3)(c3ccccc3)c3ccccc3)=NC2=O)cc1 2053614985 SGTBSLDCUXVOOK-UHFFFAOYSA-N 530.633 6.513 70 10 KKIE CC/C(=C(/c1ccc(OCCN(C)C)cc1)c1ccc(OS(=O)(=O)C(F)(F)F)cc1)c1ccccc1 504787110 ZBFSHSWSEMLSME-OCEACIFDSA-N 519.585 6.225 70 10 KKIE Cc1c(N(C)C(=O)OCC2c3ccccc3-c3ccccc32)cc(C(=O)OC(C)(C)C)cc1[B-](F)(F)F 1887522037 YEZRAVBDXDGIMV-UHFFFAOYSA-N 510.341 6.390 70 10 KKIE O[Si@]1(C2CCCCC2)O[Si@H](C2CCCCC2)O[Si@](O)(C2CCCCC2)O[Si@@]2(C3CCCCC3)O[Si@H](C3CCCCC3)O[Si@@](C3CCCCC3)(O1)O[Si@](O)(C1CCCCC1)O2 1933216031 AJQWTUFQQHTVRM-ULODJMOASA-N 959.709 10.599 70 10 KKIE CC(C)(C)OC(=O)Nc1cc(I)cc(C(=O)N2CC[C@H]3C[C@@]3([B-](F)(F)F)C2)c1 2194133111 NWCLEPOVUYMUCB-KPZWWZAWSA-N 509.095 5.092 70 10 KKIE COc1ccc(/C=C2\SC(C(C#N)=P(c3ccccc3)(c3ccccc3)c3ccccc3)=NC2=O)cc1OC 102942773 RLMYKOGTOBIKEZ-OFWBYEQRSA-N 548.604 5.407 70 10 KKIE CC(C)(C)c1ccc(OCCCC(=O)NCc2ccc(NC(=O)C(F)(F)F)cc2)c(Br)c1 216794932 QGDBRHUESNHRAM-UHFFFAOYSA-N 515.370 5.723 70 10 KKIE CN(C(=O)c1csc(S(=O)(=O)Cl)c1OCc1ccccc1)[C@H]1CC[C@H]1OCc1ccccc1 2100153267 QNSVOSOKXMJLNL-LEWJYISDSA-N 506.045 5.074 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)CCc3ccc(Br)cc3)c2)cc1 216692329 BXYVUDUPDXKJCQ-UHFFFAOYSA-N 525.399 5.486 70 10 KKIE O=S(=O)(Cl)c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1 59148230 NSQPISLHDIVWHK-UHFFFAOYSA-N 519.436 5.481 70 10 KKIE CCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Oc1c(F)c(F)c(F)c(F)c1F 71788071 JYLOAYPNCMUENT-FQEVSTJZSA-N 533.493 6.775 70 10 KKIE COC(=O)c1c(C)c(OS(=O)(=O)F)c(C)c(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c1C 1887513937 HNEXLZJCDWFZDS-UHFFFAOYSA-N 582.650 5.063 70 10 KKIE CC(C)(C)OC(=O)NCCCN(CCCCN(CCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 159986312 SEYUZBYZOVVPPC-UHFFFAOYSA-N 724.940 8.084 70 10 KKIE Cc1c(N=[N+]=[N-])cc(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc1S(=O)(=O)F 1887520907 DLSHOYPWAVFIBD-UHFFFAOYSA-N 535.601 5.662 70 10 KKIE O=S(=O)(Cl)c1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1 115900923 AAZJVSRKFUBTTM-UHFFFAOYSA-N 566.436 5.323 70 10 KKIE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c(C)c([B-](F)(F)F)c(C)c1OS(=O)(=O)F 1887515467 XVWLBDGGXRHHQU-UHFFFAOYSA-N 605.439 5.326 70 10 KKIE Cc1c(S)c(C)c(OS(=O)(=O)F)c(C)c1CN1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887518559 LMELNCFAFDVXHL-UHFFFAOYSA-N 570.708 5.560 70 10 KKIE [N-]=[N+]=Nc1cc(C[B-](F)(F)F)cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c1 1887522857 ULDFNBQRUGVNGS-UHFFFAOYSA-N 506.317 6.629 70 10 KKIE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(S(=O)(=O)F)cc1B1OC(C)(C)C(C)(C)O1 1887507927 OIYOOBDZWBKJDK-UHFFFAOYSA-N 620.552 5.019 70 10 KKIE CC=CC[Si@]1(Cl)N(Cc2ccc(Br)cc2)[C@H]2CCCC[C@H]2N1Cc1ccc(Br)cc1 2297749238 ZRWSDIWSVXXBNG-PYHIPCLTSA-N 568.857 7.594 70 10 KKIE CC1=NN(c2ccccc2)C(=O)[C@H]1N=Nc1c(OC(=O)c2ccccc2)cc(S(=O)(=O)Cl)c2ccccc12 255967426 COOWXSUBTWEXRC-DEOSSOPVSA-N 546.992 5.862 70 10 KKIE O=C(COC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc(Oc3ccccc3)c1)CC2)Nc1ccccc1Sc1ccccc1 159440067 WNPKPNIHIVECTO-COOPMVRXSA-N 634.757 9.461 70 10 KKIE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(OS(=O)(=O)F)cc1NC(=O)OC(C)(C)C 1887522266 OZCYFTCZROYEER-UHFFFAOYSA-N 625.719 6.002 70 10 KKIE C#Cc1cc(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c(C)c([B-](F)(F)F)c1C 1887520224 LUCVEQBQWOLGDD-UHFFFAOYSA-N 517.380 5.406 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)CCc2ccc(OCC)c(OC)c2)cc1 216661368 MBFRQXOZLYFTAO-UHFFFAOYSA-N 520.582 5.131 70 10 KKIE COc1ccc(C(OC[C@@H]2O[C@](n3ccc(=NCc4ccccc4)nc3O)([SiH](C)C)[C@H](O)[C@H]2OC(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 1614137663 GJDRUJPEVPFXKZ-NBBVZXAZSA-N 749.981 6.338 70 10 KKIE Cc1c(N)cc(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c(C)c1[B-](F)(F)F 1887521260 RCPPJRXHMUSTND-UHFFFAOYSA-N 508.373 5.007 70 10 KKIE CN[C@@H](c1cc(C(F)(F)F)ccc1Br)c1cc(Br)sc1Br 159740543 JCNYYUCMQJGPAH-NSHDSACASA-N 507.995 6.363 70 10 KKIE Cc1c(CN=[N+]=[N-])c(C)c(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c(C)c1OS(=O)(=O)F 1887511256 QDSIKUKOFDVUTJ-UHFFFAOYSA-N 579.654 6.086 70 10 KKIE CC1=NN(c2ccccc2)C(=O)C1=CN=C1C=CC=CC1=P(c1ccccc1)(c1ccccc1)c1ccccc1 2044236329 NCEXMUAFMLUMDU-UHFFFAOYSA-N 537.603 6.027 70 10 KKIE O=C(NCCCN1C(=O)c2ccc(Br)cc2C1=O)Nc1ccccc1Sc1ccccc1 217306484 ZVWIYJUVBXVVQN-UHFFFAOYSA-N 510.413 5.408 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)CCCOc3c(C)cccc3C)c2)cc1 216681379 ZYHPJGOXMOKUIW-UHFFFAOYSA-N 504.583 5.566 70 10 KKIE Cl[C@@H]1O[C@@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 72131052 PCQHHGZMQLZGQM-PJRHAEEISA-N 559.102 6.923 70 10 KKIE CC(C)(C)c1ccc(OCCCNC(=O)NC2CCN(Cc3ccccc3)CC2)c(Br)c1 217298746 ZWWYHFFSQSETLC-UHFFFAOYSA-N 502.497 5.479 70 10 KKIE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccccc1S(=O)(=O)F 2124731770 WIJYGDIXTDXZBP-NSYGIPOTSA-N 510.587 5.237 70 10 KKIE O=C(NCCCN1C(=O)c2ccc(Br)cc2C1=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 217306635 LFSFLCBBKDWHMZ-UHFFFAOYSA-N 538.242 5.295 70 10 KKIE CCCCCCCCCCCCCCCCCCCCCCCCCC[Si](Cl)(Cl)Cl 585662459 NUVSGCVTOPHOTM-UHFFFAOYSA-N 500.155 12.024 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)COc2ccc(C)cc2C(C)(C)C)cc1 216654868 KFTATRNBWWPLQO-UHFFFAOYSA-N 518.610 5.775 70 10 KKIE Cc1c(CN2CCN(C(=O)OC(C)(C)C)CC2)cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(C)c1[B-](F)(F)F 1887515927 OJZCZKSPZWBDSL-UHFFFAOYSA-N 608.490 6.772 70 10 KKIE N#CC(C1=NC(=O)C(=Cc2ccccc2OC(F)F)S1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 2053622204 PVPNBFYFQMJUJR-UHFFFAOYSA-N 554.558 5.991 70 10 KKIE CC(C)(C)OC(=O)Nc1c(I)cc(I)c(C(C)(C)S(=O)(=O)Cl)c1I 1952739026 SSMKHOCVGYIFJQ-UHFFFAOYSA-N 711.525 5.651 70 10 KKIE Cc1c(CN2CCN(C(=O)OC(C)(C)C)CC2)cc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1[B-](F)(F)F 1887522181 IUMAHKBREARAEV-UHFFFAOYSA-N 594.463 6.463 70 10 KKIE CC1=NN(c2ccc([N+](=O)[O-])cc2)[C@@](C)(C(N=Nc2ccccc2)=P(c2ccccc2)(c2ccccc2)c2ccccc2)O1 1084293304 QVYRVFXPKDIWDR-PGUFJCEWSA-N 599.631 7.389 70 10 KKIE N#CC(C1=NC(=O)C(=Cc2ccccc2F)S1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 2053527963 YWVIUGPTVNVKPW-UHFFFAOYSA-N 506.542 5.529 70 10 KKIE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(NC(=O)OC(C)(C)C)c(C)c1[B-](F)(F)F 1887517787 IKLYBJXNLVIWAA-UHFFFAOYSA-N 608.490 6.772 70 10 KKIE O=C(N/N=C(\c1ccc(Cl)cc1)c1ccc(OS(=O)(=O)C(F)(F)F)cc1)Nc1ccc(OCCF)c(OCCF)c1 1615950922 NOJDQYSZWKNTFO-GZZLJNBRSA-N 621.968 5.839 70 10 KKIE Cc1c(C[B-](F)(F)F)c(C)c(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c(C)c1OS(=O)(=O)F 1887515462 WZXZUYUSDOTNKG-UHFFFAOYSA-N 605.439 6.205 70 10 KKIE CC(C)(C)c1ccc(OCCCC(=O)Nc2ccccc2NC(=O)C(F)(F)F)c(Br)c1 216778927 BMBWWVHLNVJWTP-UHFFFAOYSA-N 501.343 6.045 70 10 KKIE C[C@H](NC(=O)c1cc(Br)ccc1I)c1ccccc1Br 217466418 XRGYYWSSCPCNJS-VIFPVBQESA-N 508.979 5.307 70 10 KKIE CCCCCCCCCCCCCCCCCCNC(=O)CCC(=O)N(CCCCCCCCCCCCCCCCCC)CCC[Si](Cl)(Cl)Cl 585663858 HNLTZNSZHKCOIN-UHFFFAOYSA-N 796.610 15.280 70 10 KKIE F[B-](F)(F)c1cnc(Sc2cc(I)ccc2Br)c(Br)c1 2338312966 LFBLPKQJLYBIEO-UHFFFAOYSA-N 537.753 5.417 70 10 KKIE C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2OC(=O)Cc1ccc(N(CCCl)CCCl)cc1 118939481 JWLXQUMDRGJLMS-VMDLVILYSA-N 548.595 7.037 70 10 KKIE N#CC(C1=NC(=O)/C(=C2/C(=O)Nc3ccc(Br)cc32)S1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 102945817 CMTRNTNUJGUWMQ-DQSJHHFOSA-N 608.457 5.474 70 10 KKIE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(NC(=O)OC(C)(C)C)cc1S(=O)(=O)F 1887577437 ZSQXFWOWGPPKIH-UHFFFAOYSA-N 609.720 6.067 70 10 KKIE N=C(O[C@@H]1O[C@@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OC(=O)c1ccccc1)C(Cl)(Cl)Cl 217513369 ACXNJAYAZVTNFJ-VOPZXPQJSA-N 726.993 6.969 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)CCc3ccccc3Br)cc2)cc1 216641273 HMJUXFMPHXJJFA-UHFFFAOYSA-N 525.399 5.486 70 10 KKIE COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1NC(=O)/C=C\c1cn(-c2ccccc2)nc1-c1cccs1 159456921 VTGUDWXIOUHOQV-SXGWCWSVSA-N 635.565 6.825 70 10 KKIE Cc1ccc(Br)c(C(=O)Nc2c(Br)cc(Br)cc2Br)c1 161483925 SAMODNQQYIBORO-UHFFFAOYSA-N 526.848 6.297 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)CCCOc3ccc(C(C)(C)C)cc3)cc2)cc1 216630953 LVNBEKLBJHRRFC-UHFFFAOYSA-N 532.637 6.247 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)CCCOc2ccccc2Cl)cc1 216656681 VNFUBWWVFBTLRO-UHFFFAOYSA-N 510.974 5.603 70 10 KKIE Cc1c(I)cc([B-](F)(F)F)cc1CNC(=O)OCC1c2ccccc2-c2ccccc21 1887520695 BZKYELJLOXWUTC-UHFFFAOYSA-N 536.120 5.693 70 10 KKIE Cc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)c(C)c(OS(=O)(=O)F)c(C)c1NC(=O)OC(C)(C)C 1887513926 GFSFEAFHMSRIFS-UHFFFAOYSA-N 584.666 6.591 70 10 KKIE C[SiH](C)[C@]1(n2cnc3c(N)nc(Nc4ccccc4)nc32)O[C@H](COC(C)(C)C)[C@@H](OC(C)(C)C)[C@H]1OC(C)(C)C 888085992 PYJOVDPNUNHBEP-SBLCBBNFSA-N 584.838 5.412 70 10 KKIE Cc1c(CN=[N+]=[N-])cc(OS(=O)(=O)F)cc1N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887505650 NZIQRQIXVMJPRV-UHFFFAOYSA-N 551.600 5.470 70 10 KKIE [N-]=[N+]=Nc1cc(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc([B-](F)(F)F)c1 1887514765 VQGFXQXOKCFDSG-UHFFFAOYSA-N 506.317 5.750 70 10 KKIE Cc1c(C#C[Si](C)(C)C)c(C)c(OS(=O)(=O)F)c(C)c1CN1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887579135 GPYHWPCFBOQALM-UHFFFAOYSA-N 634.846 6.501 70 10 KKIE CN1C(=O)CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(=O)Cc5ccc(N(CCCl)CCCl)cc5)CC[C@]4(C)[C@H]3CC[C@@]21C 95857115 XPEARHKOPATKGH-YGZCPXDISA-N 577.637 6.678 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1 216655259 IAVZBKBTZKOQHN-FQEVSTJZSA-N 504.583 5.681 70 10 KKIE COc1ccc(CCNC(=O)c2ccccc2NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C\c2c(F)cccc2Cl)CCC3)cc1 159456012 MLVZFJJUTBOHHM-LVWGJNHUSA-N 678.160 7.681 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)C(c2ccccc2)c2ccccc2)cc1 216648968 VKKVAMBGWWUURI-UHFFFAOYSA-N 508.574 5.923 70 10 KKIE CCC(=C(c1ccc(OC(=O)C(C)(C)C)cc1)c1ccc(OS(=O)(=O)C(F)(F)F)cc1)c1ccccc1 2086866013 GETXUDFFSLBZGS-UHFFFAOYSA-N 532.580 7.236 70 10 KKIE C[Si]1(Cl)n2c3c4ccccc4c2N=C2N=C(N=c4c5ccccc5c(n41)=NC1=NC(=N3)c3ccccc31)c1ccccc12 206556268 DHBHEIQCZVJYBO-UHFFFAOYSA-N 591.110 5.743 70 10 KKIE CN1CCN(c2ccc(NC(=O)NCCCOc3ccc(C(C)(C)C)cc3Br)cc2)CC1 217298643 YYNLUWIBLSQAFL-UHFFFAOYSA-N 503.485 5.089 70 10 KKIE Cl[Si]1(Cl)N2C3=NC4=N[C@@H](N=c5c6ccccc6c(n51)=NC1=NC(=N[C@@H]2c2ccccc23)c2ccccc21)c1ccccc14 1073234687 OAHISBKTIDKNAO-UKJJDJLKSA-N 613.544 5.096 70 10 KKIE CCC(C)(C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@H](C)[C@H](CC[C@H](C[C@@H](CC(=O)On3nnc4cccnc43)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]21 504256367 JENQVTPDGXSWAX-VUYUXYFQSA-N 783.216 9.875 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)/C=C/c3cccc(Br)c3)cc2)cc1 216644207 YKTUGDVLPAQGHF-OVCLIPMQSA-N 523.383 5.566 70 10 KKIE O=S(=O)(Cl)c1ccc(Oc2cc(Br)cc(I)c2)c(Br)c1 2364097785 JLZJZINIRMIQPI-UHFFFAOYSA-N 552.409 5.536 70 10 KKIE N=C(O[C@H]1O[C@@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1)C(Cl)(Cl)Cl 160903726 LMICALCPRSCSMO-MAPGQBHESA-N 685.044 8.048 70 10 KKIE Cc1c(I)cc(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c(C)c1[B-](F)(F)F 1887518031 XPZTXTSOLRMQAX-UHFFFAOYSA-N 619.254 6.029 70 10 KKIE O=S(=O)(O[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)O[C@@H]1COCc1ccccc1)C(F)(F)F 150368530 ZZAHKHYZOOLOLW-XCXNYGCMSA-N 672.718 6.551 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)c3cc(OCC)c(OCC)c(OCC)c3)c2)cc1 216676237 FSQSJZJCCJOQEP-UHFFFAOYSA-N 550.608 5.600 70 10 KKIE O=S(=O)(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1615947699 IGDRJKBEUJGGEY-UHFFFAOYSA-N 558.402 5.581 70 10 KKIE Cc1c(CS(=O)(=O)Cl)cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc1B1OC(C)(C)C(C)(C)O1 1887521933 QHHRHJSBKFHGAI-UHFFFAOYSA-N 637.007 5.434 70 10 KKIE CCN(CC)C(=O)C(=NC(=O)c1ccccc1)C(Cl)=P(c1ccccc1)(c1ccccc1)c1ccccc1 585658550 LHPREOOKQOPLNE-UHFFFAOYSA-N 541.031 5.499 70 10 KKIE CC(C)(C)c1ccc(OCCCNC(=O)Nc2ccc(I)cc2)c(Br)c1 217298715 QLOABEJXTPFUMQ-UHFFFAOYSA-N 531.232 5.942 70 10 KKIE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(S(=O)(=O)F)cc1N=[N+]=[N-] 1887520903 DHVDNDFQJCFYJV-UHFFFAOYSA-N 535.601 5.662 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)CCCOc3ccccc3Cl)c2)cc1 216681449 NXZBQQIAJJACIP-UHFFFAOYSA-N 510.974 5.603 70 10 KKIE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(NC(=O)OC(C)(C)C)c(C)c1S(=O)(=O)F 1887515822 AOFHATLJRHMOAB-UHFFFAOYSA-N 623.747 6.375 70 10 KKIE CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](Br)[C@@H](Br)C[C@]4(C)[C@H]3CC[C@@]21C 118931462 KFRQNXHOVDCRIV-DDLCNDOBSA-N 530.473 9.245 70 10 KKIE O=S(=O)(O[C@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)O[C@@H]1COCc1ccccc1)C(F)(F)F 150671292 ZZAHKHYZOOLOLW-VIYJWPFNSA-N 672.718 6.551 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)CCCOc3ccc(C(C)(C)C)cc3)c2)cc1 216681407 MZYUDCBQAALOOE-UHFFFAOYSA-N 532.637 6.247 70 10 KKIE C[C@@H](COCc1ccccc1)COc1c(Br)cc(S(=O)(=O)Cl)cc1Br 719540465 GSBZPRMANBBLQQ-LBPRGKRZSA-N 512.647 5.371 70 10 KKIE CCN(CCN(C)C)c1cc(/C=C2\Sc3ccccc3N2C)c2ccc(OC)cc2[n+]1-c1ccccc1 217074506 XZVIIHGQMLOTEK-UHFFFAOYSA-N 511.715 6.054 70 10 KKIE CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)Cn1cnc2sc(C(=O)OCCOc3ccccc3)c(C)c2c1=O 160667654 XZTROJRLAXOWSN-UHFFFAOYSA-N 631.732 5.855 70 10 KKIE CC(C)(C)CC(=O)O[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Oc1c(F)c(F)c(F)c(F)c1F 642886973 UXGFJGJSESESQB-AREMUKBSSA-N 577.502 6.132 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)/C=C/c3cccc(Br)c3)c2)cc1 216694153 ISZFQLFQKVJHQO-NTEUORMPSA-N 523.383 5.566 70 10 KKIE O=C(NCc1cc(I)cc([B-](F)(F)F)c1)OCC1c2ccccc2-c2ccccc21 1887520855 ICIYOLZZAIELEM-UHFFFAOYSA-N 522.093 5.384 70 10 KKIE CCN(CC)c1ccc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4C[C@@H]([C@H]5C(=O)N(c6ccc(C)cc6)C(=O)[C@H]45)[C@H]23)cc1 217371967 FSVYMRSPLSUHMI-RJQIIPCNSA-N 545.730 5.269 70 10 KKIE Cc1c(CN2CCN(C(=O)OC(C)(C)C)CC2)cc([B-](F)(F)F)c(C)c1NC(=O)OCC1c2ccccc2-c2ccccc21 1887515887 IYHZLLWCVIRDIH-UHFFFAOYSA-N 608.490 6.772 70 10 KKIE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccccc1S(=O)(=O)F 2124731764 WIJYGDIXTDXZBP-CRICUBBOSA-N 510.587 5.237 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)c2cc(OCC)c(OCC)c(OCC)c2)cc1 216650682 PRKFOPVYOMFHNA-UHFFFAOYSA-N 550.608 5.600 70 10 KKIE CCCCN(CCCC)c1ccc2c(c1)Oc1ccc(Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)cc1[C@@]21OC(=O)c2ccccc21 159596282 DQZZIPZLLBZSNG-KDXMTYKHSA-N 665.856 8.579 70 10 KKIE O=C(OCC1c2ccccc2-c2ccccc21)N1CCN(c2cc(I)cc(C[B-](F)(F)F)c2)CC1 1887515998 YBFUGQUMPWNZFW-UHFFFAOYSA-N 591.200 6.291 70 10 KKIE Cc1c(CS(=O)(=O)Cl)cc(I)cc1N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887521821 IFGKWONJRFNHNN-UHFFFAOYSA-N 636.939 5.739 70 10 KKIE C[C@H](c1c(I)cc(I)c(NC(=O)OC(C)(C)C)c1I)S(=O)(=O)F 1952737072 HMSFJSVKVQJYNQ-ZCFIWIBFSA-N 681.043 5.208 70 10 KKIE CC(C)(C)c1ccc(OCCCC(=O)Nc2cccc(NC(=O)C(F)(F)F)c2)c(Br)c1 216766510 WZVJRJZJPSLJLX-UHFFFAOYSA-N 501.343 6.045 70 10 KKIE C[C@@H](Cc1c(I)cc(I)c(NC(=O)OC(C)(C)C)c1I)S(=O)(=O)F 1952848299 LZWUMJPYJLEPSA-ZETCQYMHSA-N 695.070 5.078 70 10 KKIE Cc1cc(C)c(N2CCN(c3c(C)cc(C)cc3C)C2=P(C2CCCCC2)(C2CCCCC2)C2CCCCC2)c(C)c1 115015384 RQYWBVSUIYPXCT-UHFFFAOYSA-N 586.889 10.967 70 10 KKIE CC1(C)Cc2cc(/C(=N/NC(=O)C3CCCCC3)c3ccc(OS(=O)(=O)C(F)(F)F)cc3)ccc2O1 1616047424 ZIPOUHKLVNKPRX-QUPMIFSKSA-N 524.561 5.077 70 10 KKIE N#CC(C=NN=CC(C#N)=P(c1ccccc1)(c1ccccc1)c1ccccc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 263629217 SYLGWZXRWURIRW-UHFFFAOYSA-N 654.694 6.423 70 10 KKIE Cc1c(C#C[Si](C)(C)C)cc(OS(=O)(=O)F)cc1CNC(=O)OCC1c2ccccc2-c2ccccc21 1887578307 TVSYNTXUUIXUOO-UHFFFAOYSA-N 537.685 5.856 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)[C@@H](C)Oc2ccc(C(C)C)cc2)cc1 216656172 CLEBUNDMXWHEOQ-HXUWFJFHSA-N 504.583 5.681 70 10 KKIE Cc1ccc2nc(-c3ccc(NC(=O)NCCCN4C(=O)c5ccc(Br)cc5C4=O)cc3)sc2c1 217306666 XNOVSWZUWVCWKZ-UHFFFAOYSA-N 549.450 5.842 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)c2ccccc2I)cc1 216650102 FFOKNFZWRRNDII-UHFFFAOYSA-N 544.345 5.009 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)CCCOc3ccc(C(C)(C)C)cc3)cc2)cc1 216631012 SDFZTGIZEXZNSC-UHFFFAOYSA-N 532.637 6.247 70 10 KKIE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(N=[N+]=[N-])cc1[B-](F)(F)F 1887520535 CJEKTBPFNRNYDT-UHFFFAOYSA-N 520.344 6.058 70 10 KKIE Cc1c(I)c(C)c([B-](F)(F)F)c(C)c1CN1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887521423 LMNQEGYYAMAQRF-UHFFFAOYSA-N 633.281 6.338 70 10 KKIE Cc1c(N)c(C)c(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c(C)c1CS(=O)(=O)F 1887517730 BGPCSBDDTBYIMI-UHFFFAOYSA-N 537.657 5.064 70 10 KKIE C[Si](C)(C)C#Cc1cc(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc(OS(=O)(=O)F)c1 1887520344 BFAKOFUVUJLWGY-UHFFFAOYSA-N 523.658 5.547 70 10 KKIE O=S(=O)(Cl)c1cc(Br)c(OC[C@@H]2CC2(Br)Br)c(Br)c1 2224804776 HUSVTBPYZPJSDM-YFKPBYRVSA-N 562.299 5.024 70 10 KKIE C#Cc1c(C)c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c(C)c(S(=O)(=O)F)c1C 1887511166 GNWZUQKAIWZRPR-UHFFFAOYSA-N 546.664 5.318 70 10 KKIE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccccc1S(=O)(=O)F 2124731771 WIJYGDIXTDXZBP-SSOJOUAXSA-N 510.587 5.237 70 10 KKIE Cc1c(OS(=O)(=O)F)c(C)c(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c(C)c1C(=O)OC(C)(C)C 1887515442 VBOJEHIQPMKPPK-UHFFFAOYSA-N 624.731 6.231 70 10 KKIE CC(C)(C)c1ccc(OCCCC(=O)NCc2cccc(NC(=O)C(F)(F)F)c2)c(Br)c1 216836130 CCYQNLRYBPXQSM-UHFFFAOYSA-N 515.370 5.723 70 10 KKIE COc1ccc(-c2cc(N3CCC(C(=O)Nc4ccccc4-c4cn5ccsc5n4)CC3)ncn2)cc1 218567237 NZTWNPHFJYIMLN-UHFFFAOYSA-N 510.623 5.384 70 10 KKIE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c(C)c(S(=O)(=O)F)c(C)c1NC(=O)OC(C)(C)C 1887515446 VUSVAWVVUTYNHH-UHFFFAOYSA-N 637.774 6.684 70 10 KKIE CS/C(=N/C(=O)c1ccc(Cl)cc1Cl)C(C(=O)c1ccccc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 195529393 VOJUZLQCKDFNDO-OBEQGSJMSA-N 626.545 7.945 70 10 KKIE Cc1c(N)c(C)c(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c(C)c1C[B-](F)(F)F 1887515702 IZWOHZJYICEZMI-UHFFFAOYSA-N 522.400 6.194 70 10 KKIE CC=CC[Si]1(Cl)N(Cc2ccc(Br)cc2)[C@H]2CCCC[C@@H]2N1Cc1ccc(Br)cc1 2297749239 ZRWSDIWSVXXBNG-ZEQRLZLVSA-N 568.857 7.594 70 10 KKIE COc1ccc(C=C2SC(C(C#N)=P(c3ccccc3)(c3ccccc3)c3ccccc3)=NC2=O)cc1OC 2053607155 RLMYKOGTOBIKEZ-UHFFFAOYSA-N 548.604 5.407 70 10 KKIE N#CC(C1=NC(=O)/C(=C2/C(=O)Nc3c(Cl)cc(Cl)cc32)S1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 102945813 GQDUGCSCYFIGBO-SGEDCAFJSA-N 598.451 6.019 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)Cc3ccccc3Br)cc2)cc1 216639610 QYNYRFPWUYJRGP-UHFFFAOYSA-N 511.372 5.096 70 10 KKIE C#Cc1cc([B-](F)(F)F)cc(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c1C 1887505804 ZUNFOAYIIGTAAF-UHFFFAOYSA-N 503.353 5.097 70 10 KKIE O=S(=O)(Cl)c1cc(Br)c(OCc2cccc(Br)c2)c(Br)c1 59148239 GTAPUAMIVPLVLR-UHFFFAOYSA-N 519.436 5.481 70 10 KKIE Cc1c(C=O)c(C)c(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c(C)c1OS(=O)(=O)F 1887515682 GGSBKJHUNXHJOH-UHFFFAOYSA-N 552.624 5.089 70 10 KKIE C[C@H](F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[Si](C)(C)O[SiH](C)O[Si](C)(C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@H](C)F 585660887 FJLJHWHXWLPXHW-LXYCSCTBSA-N 686.599 8.157 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)cc2)cc1 216630454 GPFOWERDCPQAIK-HXUWFJFHSA-N 504.583 5.681 70 10 KKIE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(OS(=O)(=O)F)c(C)c1NC(=O)OC(C)(C)C 1887515981 VUNNOXRGFRLICM-UHFFFAOYSA-N 639.746 6.310 70 10 KKIE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc([B-](F)(F)F)c(C)c1N=[N+]=[N-] 1887520433 NJBKUNVWJDGYGB-UHFFFAOYSA-N 534.371 6.366 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)/C=C/c3ccccc3Br)cc2)cc1 216643523 QDJJBKMPEYQWAE-LFIBNONCSA-N 523.383 5.566 70 10 KKIE CC(=O)N[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(=O)Cc5ccc(N(CCCl)CCCl)cc5)CC[C@]4(C)[C@H]3CC[C@]12C 118939532 BLLAWDFADRSHFN-FHQZTVGNSA-N 591.664 6.972 70 10 KKIE CC(C)(C)c1ccc(OCCCNC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(Br)c1 217298531 WDNISKQKQKPFGV-UHFFFAOYSA-N 507.778 7.009 70 10 KKIE C#CCc1c(C)c(OS(=O)(=O)F)c(C)c(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c1C 1887515691 HLOYYROMQXZXRW-UHFFFAOYSA-N 562.663 5.452 70 10 KKIE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)Cn1cnc2sc(CC)c(-c3ccc(Br)cc3)c2c1=O 160800215 QYUOEEXARWKGBI-UHFFFAOYSA-N 657.011 7.647 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)C(c3ccccc3)c3ccccc3)c2)cc1 216674110 QOKYGHNDZIOUIZ-UHFFFAOYSA-N 508.574 5.923 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)CCc3cccc(Br)c3)cc2)cc1 216641991 ANYMMPGJNOVEBQ-UHFFFAOYSA-N 525.399 5.486 70 10 KKIE O=S(=O)(O[C@@H]1[C@H](COCc2ccccc2)O[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)C(F)(F)F 150671293 ZZAHKHYZOOLOLW-OWCNLOMBSA-N 672.718 6.551 70 10 KKIE N#CC(C1=NC(=O)C(=Cc2ccc(Cl)cc2)S1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 2053505998 YWIZDBWGFNCJRW-UHFFFAOYSA-N 522.997 6.043 70 10 KKIE CC(C)(C)OC(=O)Nc1cc(I)cc(C(=O)N2CC[C@H]3C[C@]3([B-](F)(F)F)C2)c1 2194133113 NWCLEPOVUYMUCB-SGTLLEGYSA-N 509.095 5.092 70 10 KKIE Cc1ccc(S(=O)(=O)N=[S@@](=O)(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2)cc1 1615947014 FBFNYRRMEGHGDC-KXQOOQHDSA-N 569.688 5.965 70 10 KKIE CN(C(=O)c1csc(S(=O)(=O)Cl)c1OCc1ccccc1)[C@@H]1CC[C@@H]1OCc1ccccc1 2100153269 QNSVOSOKXMJLNL-RTWAWAEBSA-N 506.045 5.074 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)/C=C/c3ccc(Br)cc3)c2)cc1 216694789 DQPWGNFXDGMQAJ-OVCLIPMQSA-N 523.383 5.566 70 10 KKIE Cc1ccc(C(NC(=O)CC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)Oc2c(F)c(F)c(F)c(F)c2F)(c2ccccc2)c2ccccc2)cc1 644164318 YFZQPGPJLPMSAI-PSXMRANNSA-N 790.785 9.392 70 10 KKIE O=C(c1csc(S(=O)(=O)Cl)c1OCc1ccccc1)N1CCC[C@H](OCc2ccccc2)C1 2129802681 FCGVBBMFCWQIJI-FQEVSTJZSA-N 506.045 5.076 70 10 KKIE C#Cc1cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(C[B-](F)(F)F)c1C 1887522197 JZTOXUFMXFHGNM-UHFFFAOYSA-N 503.353 5.977 70 10 KKIE CCCCCCCC[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)C=P(c5ccccc5)(c5ccccc5)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C 2042449612 PYTCAENODXRHIH-CFNNJDNZSA-N 688.977 11.024 70 10 KKIE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@@H]3C[C@@]3([B-](F)(F)F)C2)cc1I 2194132910 MOTSAKYLANGVJE-KZULUSFZSA-N 509.095 5.092 70 10 KKIE c1ccc(COc2cc(OCc3ccccc3)c3c(c2)O[C@H](c2ccc(OCc4ccccc4)c(OCc4ccccc4)c2)[C@@H](OCc2ccccc2)C3)cc1 159606916 ZQXZWSRJQYKNEG-LOYCUKJKSA-N 740.896 11.264 70 10 KKIE in-vitro Cc1c(C[B-](F)(F)F)cc(S)cc1N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887521843 JZVLITGIFOMFMG-UHFFFAOYSA-N 511.398 6.284 70 10 KKIE O=C(OCC1c2ccccc2-c2ccccc21)N1CCN(c2cc(I)cc(CS(=O)(=O)F)c2)CC1 1887504848 HUFJNYVAGKOHKK-UHFFFAOYSA-N 606.457 5.162 70 10 KKIE Cc1c(OS(=O)(=O)F)cc(C[B-](F)(F)F)cc1N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887521464 QMDQYRMQOBBGEF-UHFFFAOYSA-N 577.385 5.588 70 10 KKIE Cc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc(OS(=O)(=O)F)c(C)c1N1CCN(C(=O)OC(C)(C)C)CC1 1887515904 LDHPBMOSAPRGGT-UHFFFAOYSA-N 639.746 5.992 70 10 KKIE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(N=[N+]=[N-])cc1OS(=O)(=O)F 1887551815 WPOQPKHEZYXAEA-UHFFFAOYSA-N 551.600 5.597 70 10 KKIE Cc1cc(Br)c(S(=O)(=O)Nc2cc(Br)ccc2F)cc1Br 159549720 RCERZAPMIWNBDT-UHFFFAOYSA-N 501.997 5.222 70 10 KKIE CC(C)c1ccc(/C=C2\SC(C(C#N)=P(c3ccccc3)(c3ccccc3)c3ccccc3)=NC2=O)cc1 102946026 SGTBSLDCUXVOOK-VAMRJTSQSA-N 530.633 6.513 70 10 KKIE C[C@@H](c1c(I)cc(I)c(NC(=O)OC(C)(C)C)c1I)S(=O)(=O)Cl 1952646096 JCYFNIDGFWLDCQ-LURJTMIESA-N 697.498 5.477 70 10 KKIE Cc1cc(Br)c(NC(=O)c2cc(Br)ccc2I)c(Br)c1 217468004 JHNHMLTUSGTPPJ-UHFFFAOYSA-N 573.848 6.139 70 10 KKIE Cc1c(I)cc(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc1[B-](F)(F)F 1887521851 KQISPLLBQPIIFX-UHFFFAOYSA-N 605.227 5.721 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1 216655214 IAVZBKBTZKOQHN-HXUWFJFHSA-N 504.583 5.681 70 10 KKIE CNC(c1cc(Br)ccc1Br)c1cc(Br)ccc1Br 159817269 KHYQPIXSTSDKCV-UHFFFAOYSA-N 512.865 6.045 70 10 KKIE CC(C)(C)OC(=O)Nc1c(I)cc(I)c(C=CCS(=O)(=O)Cl)c1I 1952394833 VNYCQYMATFDXLN-UHFFFAOYSA-N 709.509 5.429 70 10 KKIE Nc1cc(Br)c(NC(=O)c2cc(Br)ccc2Br)c(Br)c1 159571935 GSLVGJXDJRNFLC-UHFFFAOYSA-N 527.836 5.571 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)CCc2ccc(Br)cc2)cc1 216667767 JFWPJZVHJXBBMP-UHFFFAOYSA-N 525.399 5.486 70 10 KKIE Cc1c(CS(=O)(=O)F)c(C)c(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c(C)c1N=[N+]=[N-] 1887518614 SJHPPBGEWFEBJW-UHFFFAOYSA-N 563.655 6.424 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)[C@H](C)Oc3ccc(C(C)C)cc3)cc2)cc1 216630499 GPFOWERDCPQAIK-FQEVSTJZSA-N 504.583 5.681 70 10 KKIE Cc1c(C#C[Si](C)(C)C)cc(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c(C)c1OS(=O)(=O)F 1887579207 DTWQRJMFERQCEV-UHFFFAOYSA-N 620.819 6.192 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)[C@H](C)Oc3ccccc3C(C)C)cc2)cc1 216629499 CTFBEDSSQYIWED-FQEVSTJZSA-N 504.583 5.681 70 10 KKIE Cc1c(C#C[Si](C)(C)C)cc(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1[B-](F)(F)F 1887522056 ZASDGAGAVIRRQS-UHFFFAOYSA-N 506.429 6.317 70 10 KKIE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(NC(=O)OC(C)(C)C)cc1[B-](F)(F)F 1887522206 KCCFSWDIVOJFTH-UHFFFAOYSA-N 594.463 6.463 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)[C@@H](C)Oc3ccccc3C(C)C)cc2)cc1 216629450 CTFBEDSSQYIWED-HXUWFJFHSA-N 504.583 5.681 70 10 KKIE Cc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)c(C)c(OS(=O)(=O)F)c(C)c1N=[N+]=[N-] 1887515401 PLBXBLJAEVYOJP-UHFFFAOYSA-N 510.547 6.185 70 10 KKIE CC1(C)OB(c2cc(CS(=O)(=O)Cl)cc(N3CCN(C(=O)OCC4c5ccccc5-c5ccccc54)CC3)c2)OC1(C)C 1887521429 MEGRARGSBULAAO-UHFFFAOYSA-N 622.980 5.126 70 10 KKIE C[C@H](Cc1c(I)cc(I)c(NC(=O)OC(C)(C)C)c1I)S(=O)(=O)Cl 1952737016 HCAJQVNLQGCOJH-SSDOTTSWSA-N 711.525 5.347 70 10 KKIE CCCC/C=C/B(c1c(C(C)C)cc(C(C)C)cc1C(C)C)c1c(C(C)C)cc(C(C)C)cc1C(C)C 205110624 YQEAIWGRMDGLOY-ISLYRVAYSA-N 500.664 10.322 70 10 KKIE CCSC(=NC(=O)c1ccc(C)cc1)C(C(=O)c1ccccc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 254868793 CRSNKINZCHDEDS-UHFFFAOYSA-N 585.709 7.336 70 10 KKIE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c(C)c(B2OC(C)(C)C(C)(C)O2)c(C)c1OS(=O)(=O)F 1887521332 DDJXIAPROWZSSB-UHFFFAOYSA-N 664.605 5.571 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)Cc3ccc(Br)cc3)cc2)cc1 216640593 IKQMIRCRWFCTPG-UHFFFAOYSA-N 511.372 5.096 70 10 KKIE Cc1cc(Br)c(S(=O)(=O)Nc2ccc(Br)cc2Cl)cc1Br 159549450 CZYCHZBFDLBNMS-UHFFFAOYSA-N 518.452 5.737 70 10 KKIE NC(=O)CC[C@H](C(=O)Oc1c(F)c(F)c(F)c(F)c1F)N(C(=O)OCC1c2ccccc2-c2ccccc21)C(c1ccccc1)(c1ccccc1)c1ccccc1 150663574 NNNWMCMZLOEQPA-PGUFJCEWSA-N 776.758 9.165 70 10 KKIE O=S(=O)(Cl)c1ccccc1Oc1c(I)cc(Cl)cc1I 2158780771 LPJSPVTXCOKQPS-UHFFFAOYSA-N 554.958 5.269 70 10 KKIE C#Cc1c(C)c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(S(=O)(=O)F)c1C 1887520532 BQOKLDUTYDRWPX-UHFFFAOYSA-N 532.637 5.010 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)Cc2ccc(Br)cc2)cc1 216666164 WAVFTHYDTBQPIF-UHFFFAOYSA-N 511.372 5.096 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)CCCOc2ccc(C(C)(C)C)cc2)cc1 216656529 QMSSLCVIQLJGIF-UHFFFAOYSA-N 532.637 6.247 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)c3cc(OCC)c(OCC)c(OCC)c3)cc2)cc1 216624849 XKZTVHRTNDOPKO-UHFFFAOYSA-N 550.608 5.600 70 10 KKIE O=C(Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 217281132 MVQJPIPOCSIVIX-UHFFFAOYSA-N 522.649 5.554 70 10 KKIE CC1(C)Cc2c(sc(N3CCOCC3)c2-c2ccnc(-c3cccc(C(=O)OC(C)(C)C)c3)c2)C(=O)N1 218570889 VKCRJKHNFQHTAN-UHFFFAOYSA-N 519.667 5.334 70 10 KKIE CCCCCCCC[Si](C)(C)O[SiH](C)O[Si](C)(C)O[Si](C)(C)O[SiH](C)O[Si](C)(C)CCCCCCCC 225753164 XDAZXFRDQKQOMN-UHFFFAOYSA-N 627.325 9.305 70 10 KKIE Cc1c(I)cc(CS(=O)(=O)F)cc1N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887521420 LGKJSQAHSFNRLL-UHFFFAOYSA-N 620.484 5.470 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1 216655374 RARBCWLOGOCFLA-FQEVSTJZSA-N 504.583 5.681 70 10 KKIE CN[C@H](c1cc(C(F)(F)F)ccc1Br)c1cc(Br)sc1Br 159740672 JCNYYUCMQJGPAH-LLVKDONJSA-N 507.995 6.363 70 10 KKIE COC(=O)C(=NC(=O)c1ccccc1)C(c1ccccc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 1565504497 YKHKSSGJECZMON-UHFFFAOYSA-N 541.587 5.656 70 10 KKIE Cc1ccc2nc(-c3ccc(NC(=O)NCCCOc4ccc(Br)cc4Cl)cc3)sc2c1 217299121 IZFQABZTVVWYTC-UHFFFAOYSA-N 530.875 7.278 70 10 KKIE O=S(=O)(Cl)c1cc(Br)c(OC[C@H]2CC2(Br)Br)c(Br)c1 2224804775 HUSVTBPYZPJSDM-RXMQYKEDSA-N 562.299 5.024 70 10 KKIE CC(C)(C)C(C)(C)[SiH2]O[C@@H]1C[C@@H](c2cn(CO)c(Cl)c3ccnc2-3)O[C@H]1CO[Si](C)(C)C(C)(C)C 1857788265 BTIAJTZFWBIXKS-HBMCJLEFSA-N 541.281 6.157 70 10 KKIE CC1(C)Cc2cc(/C(=N/NC(=O)C3C(C)(C)C3(C)C)c3ccc(OS(=O)(=O)C(F)(F)F)cc3)ccc2O1 1616047126 VEEULRQFRPAORB-TWKHWXDSSA-N 538.588 5.179 70 10 KKIE C#Cc1c(C)c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc([B-](F)(F)F)c1C 1887520277 SZCYZMIGHCEGEW-UHFFFAOYSA-N 517.380 5.406 70 10 KKIE [N-]=[N+]=Nc1cc(CS(=O)(=O)Cl)cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c1 1887520517 ZMAFIZIICXJEFI-UHFFFAOYSA-N 538.029 5.768 70 10 KKIE CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@]4(SCC[S@@]4=O)[C@H]4C[C@@H](Cl)CC[C@]4(C)[C@H]3CC[C@@]21C 95818285 FZSUDEVBYNBGFN-PGPVFAOBSA-N 513.297 8.517 70 10 KKIE Cc1c(S)c(C)c(OS(=O)(=O)F)c(C)c1CNC(=O)OCC1c2ccccc2-c2ccccc21 1887515349 IAWATLRGWYINSF-UHFFFAOYSA-N 501.601 5.532 70 10 KKIE Cc1c(CS(=O)(=O)Cl)c(C)c(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c(C)c1B1OC(C)(C)C(C)(C)O1 1887521512 VWUVKMOZXNNYIW-UHFFFAOYSA-N 665.061 6.051 70 10 KKIE Cc1c(CN2CCN(C(=O)OC(C)(C)C)CC2)c(C)c(S(=O)(=O)F)c(C)c1NC(=O)OCC1c2ccccc2-c2ccccc21 1887515434 ULOXURBWEGUZKL-UHFFFAOYSA-N 637.774 6.684 70 10 KKIE CC(C)(C)OC(=O)Nc1cc(I)cc(C(=O)N2CC[C@@H]3C[C@]3([B-](F)(F)F)C2)c1 2194133114 NWCLEPOVUYMUCB-XIKOKIGWSA-N 509.095 5.092 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)[C@H](C)Oc3ccc(C(C)C)cc3)c2)cc1 216681223 ICHATYLLKKPGBH-FQEVSTJZSA-N 504.583 5.681 70 10 KKIE C#Cc1c(C)c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c(C)c(OS(=O)(=O)F)c1C 1887515727 MZUYMGGAGWYUHU-UHFFFAOYSA-N 562.663 5.253 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)CCc3ccc(Br)cc3)cc2)cc1 216642409 GMMSYAYTJZFKOS-UHFFFAOYSA-N 525.399 5.486 70 10 KKIE CCNC(c1cc(Br)ccc1Br)c1cc(Br)ccc1Br 159831767 ARHMZFUXNRUESM-UHFFFAOYSA-N 526.892 6.436 70 10 KKIE CCOC(=O)c1sc(NC(=O)Cn2cnc3sc(CC)c(-c4ccc(Br)cc4)c3c2=O)c(C(=O)OCC)c1C 160800737 WXBXLCMMALZUBP-UHFFFAOYSA-N 632.558 5.812 70 10 KKIE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(NC(=O)OC(C)(C)C)c(C)c1OS(=O)(=O)F 1887515990 WSONRUVDIYQGPD-UHFFFAOYSA-N 639.746 6.310 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)/C=C/c3ccc(Br)cc3)c2)cc1 216694728 HFCAMQNGMMSTPI-OVCLIPMQSA-N 523.383 5.566 70 10 KKIE O=C(OCC1c2ccccc2-c2ccccc21)N1CCN(Cc2cc(I)cc(S(=O)(=O)F)c2)CC1 1887520416 LAMKACFYTNWZJU-UHFFFAOYSA-N 606.457 5.016 70 10 KKIE CC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(CNC(=O)C(F)(F)F)cc2)c(Br)c1 216794875 CASBJWXLAFRIRM-UHFFFAOYSA-N 515.370 5.723 70 10 KKIE CC1(C)[C@H](NC(=O)c2csc(S(=O)(=O)Cl)c2OCc2ccccc2)C[C@H]1OCc1ccccc1 2156360472 FRENFAHXLKMCPO-NHCUHLMSSA-N 520.072 5.368 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)COc3ccc(Cl)cc3Cl)cc2)cc1 216630628 UBXISOQGCJWJHM-UHFFFAOYSA-N 517.365 5.476 70 10 KKIE Cc1c(C#C[Si](C)(C)C)cc(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1OS(=O)(=O)F 1887578956 RABOIRIGUDEPRA-UHFFFAOYSA-N 537.685 5.856 70 10 KKIE Cc1cc(C(=O)Oc2c(F)c(F)c(F)c(F)c2F)cc(C(=O)Oc2c(F)c(F)c(F)c(F)c2F)n1 143204835 LINBQNBXZQJGQL-UHFFFAOYSA-N 513.243 5.219 70 10 KKIE CCN[C@H](c1cc(Br)ccc1Br)c1cc(Br)c(C)cc1Br 159895660 UDPSGWLZVRNCLT-MRXNPFEDSA-N 540.919 6.744 70 10 KKIE O=S(=O)(O[C@H]1[C@H](COCc2ccccc2)O[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)C(F)(F)F 256126084 ZZAHKHYZOOLOLW-UBLLTGQXSA-N 672.718 6.551 70 10 KKIE O=S(=O)(O[C@@H]1[C@H](COCc2ccccc2)O[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)C(F)(F)F 150671290 ZZAHKHYZOOLOLW-MAPGQBHESA-N 672.718 6.551 70 10 KKIE CC(C)(C)c1ccc(OCCCNC(=O)N(Cc2ccccc2)Cc2ccccc2)c(Br)c1 217298595 KRPDLMHTWTVMND-UHFFFAOYSA-N 509.488 6.928 70 10 KKIE Cc1c(OS(=O)(=O)F)cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc1C(=O)OC(C)(C)C 1887520767 CUXVIKLMCGCPHB-UHFFFAOYSA-N 596.677 5.615 70 10 KKIE Cc1sc2nc(SCC(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)n(-c3ccccc3)c(=O)c2c1-c1ccccc1 160553068 XGZXWPGOLNHWKG-UHFFFAOYSA-N 632.789 5.174 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)CCCOc3c(C)cccc3C)c2)cc1 216681364 GRKIXSLDTIRTLI-UHFFFAOYSA-N 504.583 5.566 70 10 KKIE CC1(C)C[C@@H](NC(=O)c2csc(S(=O)(=O)Cl)c2OCc2ccccc2)[C@H]1OCc1ccccc1 2156373738 JHIVOSIVCVMNNI-IFMALSPDSA-N 520.072 5.368 70 10 KKIE CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)C(C(=O)c5cccc([N+](=O)[O-])c5)=P(c5ccccc5)(c5ccccc5)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C 2042931755 CXWZLTNEACEWQT-MYCXDSHMSA-N 838.082 11.897 70 10 KKIE CCN[C@@H](c1cc(Br)ccc1Br)c1cc(Br)c(C)cc1Br 159895510 UDPSGWLZVRNCLT-INIZCTEOSA-N 540.919 6.744 70 10 KKIE CCN(CC)P1(N(CC)CC)=C(c2ccccc2)P(N(CC)CC)(N(CC)CC)=C1c1ccccc1 111458963 YFJPVJGXKFVAIZ-UHFFFAOYSA-N 528.706 7.419 70 10 KKIE CC(=O)O[C@@H]1[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@]3(C)[C@@H](OC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)C[C@@H](C)[C@@]13OC2(C)C 160895527 KAMRIYILCXXILS-UHPPAMLESA-N 760.836 7.044 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)Cc2ccc(Br)cc2)cc1 216666105 IAIHAVYDXOUJIM-UHFFFAOYSA-N 511.372 5.096 70 10 KKIE CC(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)=NN=C(C(=O)c1ccccc1)c1ccccc1 254872666 RQAIUFIUSYRVCQ-UHFFFAOYSA-N 524.604 6.531 70 10 KKIE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(I)cc1S(=O)(=O)F 1887521636 HBJMYVBBPNGWJM-UHFFFAOYSA-N 620.484 5.325 70 10 KKIE O=C(NCCCOc1ccc(Br)cc1Cl)Nc1ccc(I)cc1 217299127 KNDSXYRZOBZZEB-UHFFFAOYSA-N 509.569 5.298 70 10 KKIE CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)Cl)cc3S(=O)(=O)O)c3ccc(=[N+](CC)CC)cc-3oc2c1 95713114 YERWMQJEYUIJBO-UHFFFAOYSA-O 578.132 5.037 70 10 KKIE Cc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc(OS(=O)(=O)F)cc1N1CCN(C(=O)OC(C)(C)C)CC1 1887522228 MAFJGPRAFCQENT-UHFFFAOYSA-N 625.719 5.684 70 10 KKIE CCC(=C(c1ccc(OC(=O)N(CCCl)CCCl)cc1)c1ccc(OC(=O)N(CCCl)CCCl)cc1)c1ccccc1 150655482 CYUVQCXCRMNVKT-UHFFFAOYSA-N 652.446 8.613 70 10 KKIE Cc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1[B-](F)(F)F 1887522151 GFAHKVNKWDBZHE-UHFFFAOYSA-N 594.463 6.145 70 10 KKIE O=S(=O)(Cl)c1ccc(Oc2cc(Br)cc(I)c2)c(Cl)c1 2364273771 KCCZYOCHWLUQDP-UHFFFAOYSA-N 507.958 5.427 70 10 KKIE Cc1c(CN2CCNCC2)cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(C)c1[B-](F)(F)F 1887520880 CMBZBYXKJQHQRN-UHFFFAOYSA-N 508.373 5.124 70 10 KKIE O=S(=O)(OC1=CC=C2C=CC=C[C@@H]2[C@H]1[C@@H]1C(OS(=O)(=O)C(F)(F)F)=CC=C2C=CC=C[C@@H]21)C(F)(F)F 257353494 RNNPLMQDNJCBLT-CPLUKWAASA-N 554.486 5.083 70 10 KKIE N#CC(C1=NC(=O)C(=Cc2ccc([N+](=O)[O-])cc2)S1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 2053511705 FTDFHQKHCJRSLI-UHFFFAOYSA-N 533.549 5.298 70 10 KKIE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@H]3C[C@@]3([B-](F)(F)F)C2)cc1I 2194132909 MOTSAKYLANGVJE-KPZWWZAWSA-N 509.095 5.092 70 10 KKIE Cc1c(CS(=O)(=O)F)cc(B2OC(C)(C)C(C)(C)O2)cc1N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887578955 PVQAPBRJLZJITG-UHFFFAOYSA-N 620.552 5.165 70 10 KKIE COc1ccc(OC)c(C=C2SC(C(C#N)=P(c3ccccc3)(c3ccccc3)c3ccccc3)=NC2=O)c1 2053515565 AEVRYZLNQVYTAZ-UHFFFAOYSA-N 548.604 5.407 70 10 KKIE CC(C)(C)c1ccc(OCCCC(=O)NCc2ccccc2NC(=O)C(F)(F)F)c(Br)c1 216815021 VOLCJPCRGDNWIQ-UHFFFAOYSA-N 515.370 5.723 70 10 KKIE C#Cc1c(C)c(CS(=O)(=O)F)c(C)c(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c1C 1887517953 SZPHFZFUEPWDIG-UHFFFAOYSA-N 546.664 5.464 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)CCc3cccc(Br)c3)c2)cc1 216692002 HPEYIQPQXGGZIN-UHFFFAOYSA-N 525.399 5.486 70 10 KKIE COC1=CC(=Pc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=C2C(OC)=CC(OC)=CC2=Pc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(OC)=C1 2069343084 JRZXCDBBQBNRAJ-UHFFFAOYSA-N 760.448 9.395 70 10 KKIE C[SiH](C)[C@]1(n2cnc3c(N)nc(Nc4ccccc4)nc32)O[C@H](COC(C)(C)C)[C@@H](OC(C)(C)C)[C@@H]1OC(C)(C)C 888085990 PYJOVDPNUNHBEP-GAJFOYKWSA-N 584.838 5.412 70 10 KKIE Cc1c(I)cc(S(=O)(=O)F)cc1CN1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887521629 GJEWSZSBJYOZLT-UHFFFAOYSA-N 620.484 5.325 70 10 KKIE CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC5(OCCO5)[C@@H](Br)C[C@]4(C)[C@H]3CC[C@@]21C 136788312 MZQGLXCIKCGLMF-HZWBHJQUSA-N 509.613 8.224 70 10 KKIE Cc1c(CS(=O)(=O)Cl)cc(B2OC(C)(C)C(C)(C)O2)cc1N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887577974 MBJSTNYOLVRYGA-UHFFFAOYSA-N 637.007 5.434 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1 216655328 RARBCWLOGOCFLA-HXUWFJFHSA-N 504.583 5.681 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)[C@@H](C)Oc3ccccc3C(C)C)c2)cc1 216680729 SVCLBAYIZAZUQD-HXUWFJFHSA-N 504.583 5.681 70 10 KKIE O=C(OCC1c2ccccc2-c2ccccc21)N1CCN(Cc2cc(I)cc([B-](F)(F)F)c2)CC1 1887520130 AGBPKOKDCCDVER-UHFFFAOYSA-N 591.200 5.412 70 10 KKIE Fc1cc(CNc2c(Br)cc(Br)cc2Br)ccc1Br 161252809 VJFMGYXRMHRQLI-UHFFFAOYSA-N 516.828 6.488 70 10 KKIE Cc1c(C[B-](F)(F)F)cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc1OS(=O)(=O)F 1887521383 HQTCOYCDJSBBBE-UHFFFAOYSA-N 577.385 5.588 70 10 KKIE N#CC(C1=NC(=O)/C(=C/c2ccc(F)cc2)S1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 100413370 JZYRWXJGWBMURI-RRAHZORUSA-N 506.542 5.529 70 10 KKIE O=S(=O)(O[C@@H]1[C@@H](COCc2ccccc2)O[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1)C(F)(F)F 72399430 ZZAHKHYZOOLOLW-ZYSDIQSLSA-N 672.718 6.551 70 10 KKIE CN(Cc1ccc(Br)cc1)C(=O)c1cc(Br)ccc1I 217421367 QOJLLTXQKSUASM-UHFFFAOYSA-N 508.979 5.088 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)COc3ccc(C)cc3C(C)(C)C)cc2)cc1 216629121 JODQQEMQAIOVGD-UHFFFAOYSA-N 518.610 5.775 70 10 KKIE Cc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc([B-](F)(F)F)cc1N1CCN(C(=O)OC(C)(C)C)CC1 1887522189 JFDQMMRHRWBILK-UHFFFAOYSA-N 594.463 6.145 70 10 KKIE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)F 1887578309 UPWRJMYRKSGZEE-UHFFFAOYSA-N 620.552 5.019 70 10 KKIE CC(C)(C)OC(=O)NC(CCC(=O)Oc1c(F)c(F)c(F)c(F)c1F)CCC(=O)Oc1c(F)c(F)c(F)c(F)c1F 109280625 RJZUSKRSEMMOIQ-UHFFFAOYSA-N 607.397 6.042 70 10 KKIE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)Cn1cnc2sc(C(=O)Nc3ccccc3OC)c(C)c2c1=O 160533728 WZGZRBCSFVQIQV-UHFFFAOYSA-N 637.139 6.225 70 10 KKIE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c(C)c(OS(=O)(=O)F)c(C)c1N=[N+]=[N-] 1887513952 KULHLJPKRLIUCE-UHFFFAOYSA-N 579.654 6.213 70 10 KKIE Cc1c(CS(=O)(=O)F)cc(N=[N+]=[N-])cc1N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887521190 MDJHRMCOKHFUGU-UHFFFAOYSA-N 535.601 5.807 70 10 KKIE CC[C@@H](NC(=O)NCCCOc1ccc(C(C)(C)C)cc1Br)c1ccc2c(c1)CCCC2 217298499 QBEPVIABBBHYSU-XMMPIXPASA-N 501.509 6.845 70 10 KKIE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(OS(=O)(=O)F)c(C)c1C#C[Si](C)(C)C 1887515508 FIMMZAQVYNAPLF-UHFFFAOYSA-N 620.819 6.192 70 10 KKIE CC1(C)[C@@H](OCc2ccccc2)C[C@H]1NC(=O)c1csc(S(=O)(=O)Cl)c1OCc1ccccc1 2156360473 FRENFAHXLKMCPO-RTWAWAEBSA-N 520.072 5.368 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)[C@H](C)Oc3ccc(C(C)C)cc3)cc2)cc1 216630395 GATKIWYCORKVPP-FQEVSTJZSA-N 504.583 5.681 70 10 KKIE CN(Cc1ccccc1Br)C(=O)c1cc(Br)ccc1I 217505454 CTUPILYTRLZOAJ-UHFFFAOYSA-N 508.979 5.088 70 10 KKIE CCN[C@H](c1cc(Br)ccc1Br)c1cc(Br)sc1Br 159837639 VABIRGMWIKLFJP-GFCCVEGCSA-N 532.921 6.497 70 10 KKIE Cc1c(N=[N+]=[N-])cc(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc1[B-](F)(F)F 1887520581 LXJLBHGWIHLJQI-UHFFFAOYSA-N 520.344 6.058 70 10 KKIE Cc1c(CS(=O)(=O)Cl)cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc1N=[N+]=[N-] 1887522916 ZLKXIFHGVVCADF-UHFFFAOYSA-N 552.056 6.077 70 10 KKIE CC(C)(C)c1ccc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4C[C@@H]([C@H]5C(=O)N(c6ccccc6)C(=O)[C@H]45)[C@H]23)cc1 217377846 RHAXZDIETDBBDH-RWAISMCRSA-N 516.688 5.412 70 10 KKIE O=S(=O)(OC1=CC=C2C=CC=C[C@@H]2[C@@H]1[C@@H]1C(OS(=O)(=O)C(F)(F)F)=CC=C2C=CC=C[C@@H]21)C(F)(F)F 257353495 RNNPLMQDNJCBLT-FVCZOJIISA-N 554.486 5.083 70 10 KKIE Cc1c(I)cc(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1[B-](F)(F)F 1887521071 WGAUBNDPEYQVSE-UHFFFAOYSA-N 536.120 5.693 70 10 KKIE CC1(C)[C@@H](NC(=O)c2csc(S(=O)(=O)Cl)c2OCc2ccccc2)C[C@@H]1OCc1ccccc1 2156360474 FRENFAHXLKMCPO-SFTDATJTSA-N 520.072 5.368 70 10 KKIE O=C(Nc1ccc(S(=O)(=O)Cl)cc1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 159187630 PEVCFUGKAIGEMQ-UHFFFAOYSA-N 998.752 10.239 70 10 KKIE Cc1c(N=[N+]=[N-])cc(CS(=O)(=O)Cl)cc1N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887522802 PAUKOUDRTMKGDL-UHFFFAOYSA-N 552.056 6.077 70 10 KKIE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c(C)c(OS(=O)(=O)F)c(C)c1NC(=O)OC(C)(C)C 1887577435 YWOPVBJTZGKLRH-UHFFFAOYSA-N 653.773 6.619 70 10 KKIE O=P(OCC(CBr)CBr)(OC[C@H](Br)CBr)OC[C@H](Br)CBr 161650808 MORVLXJAZXFKOH-NXEZZACHSA-N 711.640 5.867 70 10 KKIE CCCN[C@@H](Cc1cc(Br)ccc1F)c1cc(Br)c(Br)s1 160180829 IYOYBGJGNPTGMJ-ZDUSSCGKSA-N 500.069 6.458 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)/C=C/c2ccc(Br)cc2)cc1 216670224 KJLSLHIIHRCCMX-CXUHLZMHSA-N 523.383 5.566 70 10 KKIE Cc1c(C)c(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)Oc2c(F)c(F)c(F)c(F)c2F)c(C)c2c1OC(C)(C)CC2=O 888088035 PJLRWMCDEBEALM-HHHXNRCGSA-N 842.840 7.147 70 10 KKIE Cc1c(NC(=O)OC(C)(C)C)cc(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1OS(=O)(=O)F 1887577558 SSVUJGAOQROZNX-UHFFFAOYSA-N 556.612 5.974 70 10 KKIE CC(=O)N[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)Cc5ccc(N(CCCl)CCCl)cc5)CC[C@]4(C)[C@H]3CC[C@]12C 118939528 OGAQVUGJYFZLEO-HNUXGDIYSA-N 589.648 6.892 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)[C@H](C)Oc2ccc(C(C)C)cc2)cc1 216656101 AWKYEDJSXZJFHI-FQEVSTJZSA-N 504.583 5.681 70 10 KKIE Cc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc(I)cc1[B-](F)(F)F 1887506902 KFUBVLSHGCTLIQ-UHFFFAOYSA-N 536.120 5.693 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)[C@H](C)Oc2ccc(C(C)C)cc2)cc1 216656220 CLEBUNDMXWHEOQ-FQEVSTJZSA-N 504.583 5.681 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)Cc3ccccc3Br)c2)cc1 216689572 QJACVBKKFPEIAU-UHFFFAOYSA-N 511.372 5.096 70 10 KKIE CCCN[C@H](Cc1cc(Br)ccc1F)c1cc(Br)c(Br)s1 160180961 IYOYBGJGNPTGMJ-CYBMUJFWSA-N 500.069 6.458 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)CCc3ccc(OCC)c(OC)c3)cc2)cc1 216635628 ZZDXPOCHALQEJA-UHFFFAOYSA-N 520.582 5.131 70 10 KKIE Cc1ccc(C(NC(=O)C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)Oc2c(F)c(F)c(F)c(F)c2F)(c2ccccc2)c2ccccc2)cc1 644164309 WCEHAPHTKOAJLY-PGUFJCEWSA-N 776.758 9.002 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)COc3cc(C)c(Cl)c(C)c3)c2)cc1 216680533 MAJMKOTVQNGMQZ-UHFFFAOYSA-N 510.974 5.440 70 10 KKIE Cc1c(CS(=O)(=O)Cl)c(C)c(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c(C)c1N=[N+]=[N-] 1887551918 MUDZWFJNOJOTKQ-UHFFFAOYSA-N 580.110 6.693 70 10 KKIE O=S(=O)(OC1=CC=C2C=CC=C[C@H]2[C@@H]1[C@@H]1C(OS(=O)(=O)C(F)(F)F)=CC=C2C=CC=C[C@@H]21)C(F)(F)F 100182181 RNNPLMQDNJCBLT-JSJNYSNDSA-N 554.486 5.083 70 10 KKIE Cc1ccc(Br)c(C(=O)Nc2c(I)cc(I)cc2I)c1 161489363 BQHMOTGQCMTJRB-UHFFFAOYSA-N 667.848 5.824 70 10 KKIE CC[C@]12CC[C@@H]3[C@H]4CCC(OS(=O)(=O)C(F)(F)F)=CC4=CC[C@H]3[C@@H]1CC[C@@]2(O)C#C[Si](C)(C)C 1848353434 YLLGNWGJHRVRIZ-KAGYXSEVSA-N 516.698 5.921 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)Cc3cccc(Br)c3)cc2)cc1 216640246 PSQAOHFYALALQK-UHFFFAOYSA-N 511.372 5.096 70 10 KKIE C=CC[Si@]1(Cl)N(Cc2ccc(Br)cc2)[C@H]2CCCC[C@H]2N1Cc1ccc(Br)cc1 2297749199 JTYONYYNZDUUGN-CYEXQSGMSA-N 554.830 7.204 70 10 KKIE CC(C)(C)OC(=O)N1CCN(c2cc(CNC(=O)OCC3c4ccccc4-c4ccccc43)cc(OS(=O)(=O)F)c2)CC1 1887577420 JSYBJJVMPPQKRB-UHFFFAOYSA-N 611.692 5.376 70 10 KKIE CN[C@H](c1cc(Br)ccc1Br)c1cc(Br)c(C)cc1Br 159894916 AGZYSUZCRDDUGO-OAHLLOKOSA-N 526.892 6.354 70 10 KKIE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)Cn1cnc2scc(-c3ccc(Br)cc3)c2c1=O 160538432 TYGMECAOEBVRDG-UHFFFAOYSA-N 628.957 7.085 70 10 KKIE O=C(N/N=C(\c1ccc(Cl)cc1)c1ccc(OS(=O)(=O)C(F)(F)F)cc1)Nc1ccc(C(F)(F)F)cc1 1615950646 VPWFQEYSTGACBR-ZCTHSVRISA-N 565.879 6.161 70 10 KKIE CCCCCCCC[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)C=P(c5ccccc5)(c5ccccc5)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C 2042449613 PYTCAENODXRHIH-FLRXGAPNSA-N 688.977 11.024 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)c3cc(OCC)c(OCC)c(OCC)c3)c2)cc1 216675734 WCMOMDTZBNWMBE-UHFFFAOYSA-N 550.608 5.600 70 10 KKIE CCC(C)(C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@H](C)[C@H](CC[C@H](C[C@@H](CC(=O)On3nnc4cccnc43)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H]21 504256365 JENQVTPDGXSWAX-HQUNPVQRSA-N 783.216 9.875 70 10 KKIE Cc1c(C#C[Si](C)(C)C)cc(CNC(=O)OCC2c3ccccc3-c3ccccc32)c(C)c1[B-](F)(F)F 1887520135 AOQFIXLVDKGQDQ-UHFFFAOYSA-N 520.456 6.625 70 10 KKIE Cc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1OS(=O)(=O)F 1887522290 QRBSFJYAXYICHD-UHFFFAOYSA-N 625.719 5.684 70 10 KKIE Cl[Si]1(Cl)n2c3c4ccccc4c2N[C@H]2N[C@@H](Nc4c5ccccc5c(n41)N[C@H]1N[C@@H](N3)c3ccccc31)c1ccccc12 1307328203 KUSDTLRMRILZDL-KXSOJQAOSA-N 621.608 7.182 70 10 KKIE CC(=O)N[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)Cc5ccc(N(CCCl)CCCl)cc5)CC[C@]4(C)[C@H]3CC[C@@]21C 118939527 OGAQVUGJYFZLEO-SSTARUGCSA-N 589.648 6.892 70 10 KKIE CS(C)(=O)=NP(=C(N=Nc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1)(c1ccccc1)c1ccccc1 263631457 WOMSFEDSUCNOEF-UHFFFAOYSA-N 544.573 6.003 70 10 KKIE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(C#C[Si](C)(C)C)cc1OS(=O)(=O)F 1887521370 GSHXJBLRXQAQOA-UHFFFAOYSA-N 606.792 5.884 70 10 KKIE CCOC(=O)C(=NC(=O)c1ccccc1)C(Cl)=P(c1ccccc1)(c1ccccc1)c1ccccc1 585658554 XTTGFOAIYWNMTR-UHFFFAOYSA-N 513.961 5.194 70 10 KKIE CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](Br)[C@@H](Br)C[C@]4(C)[C@H]3CC[C@@]21C 118931463 KFRQNXHOVDCRIV-VWXNOHHNSA-N 530.473 9.245 70 10 KKIE O=[N+]([O-])c1cc([N+](=O)[O-])c([C@H](Br)[C@@H](Br)c2ccccc2)cc1/C=C/c1ccccc1 136073216 XSGGGUXVTDBRJI-KFDAMUOLSA-N 532.188 7.246 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)COc3cc(C)c(Cl)c(C)c3)c2)cc1 216680471 MWGUISCPRCPNFZ-UHFFFAOYSA-N 510.974 5.440 70 10 KKIE C[C@@H](F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[Si](Cl)(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@H](C)F 216705216 DWJQGKWROCPMML-QWWZWVQMSA-N 593.152 7.783 70 10 KKIE O=S(=O)(Cl)CC1(COc2c(Br)cc(Br)cc2Br)CCCC1 115563898 FZGSKQBGYOEITF-UHFFFAOYSA-N 525.484 5.482 70 10 KKIE Cc1c(OS(=O)(=O)F)cc(CS)cc1N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887522249 ODLGXKYXJFNRPX-UHFFFAOYSA-N 542.654 5.089 70 10 KKIE O=S(=O)(O[C@H]1[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)O[C@@H]1COCc1ccccc1)C(F)(F)F 150671288 ZZAHKHYZOOLOLW-SLXQPGMDSA-N 672.718 6.551 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)COc3ccc(C)cc3C(C)(C)C)cc2)cc1 216629047 CVPOBUBCUGYAJD-UHFFFAOYSA-N 518.610 5.775 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)Cc2ccccc2Br)cc1 216665065 QWXQMHYBVCYAHO-UHFFFAOYSA-N 511.372 5.096 70 10 KKIE CC(C)(C)c1ccc(OCCCNC(=O)NCCc2cccc(Br)c2)c(Br)c1 217298785 LBOAZJXIOIUYNE-UHFFFAOYSA-N 512.286 5.820 70 10 KKIE O=P(OCC(CBr)CBr)(OC[C@@H](Br)CBr)OC[C@@H](Br)CBr 161651070 MORVLXJAZXFKOH-UWVGGRQHSA-N 711.640 5.867 70 10 KKIE CCC(CC)(COc1c(Br)cc(Br)cc1Br)CS(=O)(=O)Cl 115562708 ARELEWSTRYYCIF-UHFFFAOYSA-N 527.500 5.728 70 10 KKIE O=C(COC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc(Oc3ccccc3)c1)CC2)c1ccc(S(=O)(=O)N2CCCC2)cc1 159440338 LVLSXRATNCKUKC-NFFVHWSESA-N 644.749 7.338 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)/C=C/c3ccccc3Br)cc2)cc1 216643587 HMXROZSZGCIILI-LFIBNONCSA-N 523.383 5.566 70 10 KKIE CC(C)c1ccc(NC(=O)N/N=C(\c2ccc(Cl)cc2)c2ccc(OS(=O)(=O)C(F)(F)F)cc2)cc1 1615949705 PDKFOJHGYPOGHU-JBASAIQMSA-N 539.963 6.266 70 10 KKIE COc1ccc(C(OC[C@@H]2O[C@](n3cnc4c(N)ncnc43)([SiH](C)C)[C@@H](O)[C@@H]2OC(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 1615266019 ZFNXIXBGNIGFBB-CKZSISKJSA-N 683.882 5.057 70 10 KKIE O=S(=O)(Cl)c1ccc(Oc2cc(I)ccc2Cl)c(Br)c1 2288322239 OUIJSCMIYLIEKP-UHFFFAOYSA-N 507.958 5.427 70 10 KKIE Cc1c(C=O)c(C)c([B-](F)(F)F)c(C)c1N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887515693 HZOQMNPPTFQHOG-UHFFFAOYSA-N 521.368 5.550 70 10 KKIE COc1ccc(NC(=O)N/N=C(\c2ccc(Cl)cc2)c2ccc(OS(=O)(=O)C(F)(F)F)cc2)cc1 1615950423 UCQNHFQPHSUARA-VFCFBJKWSA-N 527.908 5.151 70 10 KKIE Cl[Si]12O[Si]3(C4CCCC4)O[Si]4(C5CCCC5)O[Si](C5CCCC5)(O1)O[Si]1(C5CCCC5)O[Si](C5CCCC5)(O2)O[Si](C2CCCC2)(O3)O[Si](C2CCCC2)(O4)O1 195795879 RFJRUGYFKFXRLE-UHFFFAOYSA-N 936.018 10.110 70 10 KKIE Cc1c(OS(=O)(=O)F)cc(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1N1CCN(C(=O)OC(C)(C)C)CC1 1887522075 ABMIVIRNQHUOQK-UHFFFAOYSA-N 625.719 5.684 70 10 KKIE CC1(C)Cc2cc(/C(=N/NC(=O)c3ccc(Cl)c(Cl)c3)c3ccc(OS(=O)(=O)C(F)(F)F)cc3)ccc2O1 1616046315 IKOATMPXCADELE-DFKUXCBWSA-N 587.403 6.118 70 10 KKIE CN(C)C=C(SC1=NC(c2ccccc2)=NC(=O)C1=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)c1ccccc1 2297498819 JCLGINRMNXERAI-UHFFFAOYSA-N 637.745 6.558 70 10 KKIE Cc1c(S)cc(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c(C)c1OS(=O)(=O)F 1887520231 NAQZXTQTTOAVPD-UHFFFAOYSA-N 556.681 5.252 70 10 KKIE Cc1cc(C)c(B(c2c(C)cc(C)cc2C)[Si](c2ccccc2)(c2ccccc2)c2c(C)cc(C)cc2C)c(C)c1 205260856 WVHDWQWXYHXLFT-UHFFFAOYSA-N 550.671 6.320 70 10 KKIE C[C@H](NC(=O)c1cc(Br)ccc1I)c1ccc(Br)cc1 217462282 HCWGHFRNADYXGL-VIFPVBQESA-N 508.979 5.307 70 10 KKIE C[C@H](COCc1ccccc1)COc1c(Br)cc(S(=O)(=O)Cl)cc1Br 719540460 GSBZPRMANBBLQQ-GFCCVEGCSA-N 512.647 5.371 70 10 KKIE CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@]4(SCC[S@]4=O)[C@H]4C[C@@H](Cl)CC[C@]4(C)[C@H]3CC[C@@]21C 95818286 FZSUDEVBYNBGFN-UGBKJBGMSA-N 513.297 8.517 70 10 KKIE Cc1cc(I)ccc1NC(=O)CSc1nc2sc(C)c(-c3ccccc3)c2c(=O)n1-c1ccccc1 160647760 GXCOXESMMBPOEH-UHFFFAOYSA-N 623.541 7.066 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)C(c3ccccc3)c3ccccc3)c2)cc1 216674173 NMHVDEZMPDFUHP-UHFFFAOYSA-N 508.574 5.923 70 10 KKIE CC(C)(C)OC(=O)N1CCC[C@H]1c1nc(-c2ccc3cc(OS(=O)(=O)C(F)(F)F)ccc3c2)c[nH]1 148131396 WEZVWAWEVRJMAQ-IBGZPJMESA-N 511.522 5.530 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)Cc3ccc(Br)cc3)c2)cc1 216690568 LDNVOAOAQHSQEF-UHFFFAOYSA-N 511.372 5.096 70 10 KKIE COc1ccc(C(OC[C@H]2O[C@](n3cnc4c(NC(=O)c5ccccc5)ncnc43)([SiH](C)C)[C@H](O)[C@@H]2OC(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 1772509009 UUSJVALZRLTCOJ-RLWSPSQVSA-N 787.990 6.727 70 10 KKIE CC(C)(C)c1ccc(OCCCNC(=O)NCCc2ccc(Br)cc2)c(Br)c1 217298788 MGQPJDKUIXDABX-UHFFFAOYSA-N 512.286 5.820 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)COc3ccc(Cl)cc3Cl)c2)cc1 216681308 IXJZMQACBLKNSP-UHFFFAOYSA-N 517.365 5.476 70 10 KKIE CC(C)(C)OC(=O)N1CCN(Cc2cc(NC(=O)OCC3c4ccccc4-c4ccccc43)cc([B-](F)(F)F)c2)CC1 1887516001 YJGMZHRVXHGPDX-UHFFFAOYSA-N 580.436 6.155 70 10 KKIE O=S(=O)(Cl)CCCCCCOc1c(Br)cc(Br)cc1Br 112356312 PYDQKBHRXGDQBP-UHFFFAOYSA-N 513.473 5.482 70 10 KKIE CCOc1ccc(CCNC(=O)NCCCOc2ccc(C(C)(C)C)cc2Br)cc1OCC 217298670 YSJMKSYJCDCCCO-UHFFFAOYSA-N 521.496 5.855 70 10 KKIE C[C@@H](Cc1c(I)cc(I)c(NC(=O)OC(C)(C)C)c1I)S(=O)(=O)Cl 1952737017 HCAJQVNLQGCOJH-ZETCQYMHSA-N 711.525 5.347 70 10 KKIE CCC[C@@H](COc1c(Br)cc(Br)cc1Br)CS(=O)(=O)Cl 115569220 ISZNZBHXYAKNOV-QMMMGPOBSA-N 513.473 5.338 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)CCCOc3ccccc3Cl)cc2)cc1 216631209 YFRHWEAZYUELSN-UHFFFAOYSA-N 510.974 5.603 70 10 KKIE Cc1c(CS(=O)(=O)F)cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc1B1OC(C)(C)C(C)(C)O1 1887521815 ZKAVDECAPKSJQT-UHFFFAOYSA-N 620.552 5.165 70 10 KKIE CC(=O)Nc1cccc(C(=O)C(C=C2C=CC(=[N+](C)C)C=C2)=P(c2ccccc2)(c2ccccc2)c2ccccc2)c1 2297731211 WCFJLNDOEKIMAF-UHFFFAOYSA-O 569.665 5.760 70 10 KKIE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(NC(=O)OC(C)(C)C)cc1OS(=O)(=O)F 1887522222 LRDXTEOZACTFMZ-UHFFFAOYSA-N 625.719 6.002 70 10 KKIE CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)C(C(=O)c5cccc([N+](=O)[O-])c5)=P(c5ccccc5)(c5ccccc5)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C 2042931756 CXWZLTNEACEWQT-VTSDRJJKSA-N 838.082 11.897 70 10 KKIE N#CC(C(=S)NC(=O)c1ccccc1Br)=P(c1ccccc1)(c1ccccc1)c1ccccc1 100835289 YLLDHJLRSCFGKG-UHFFFAOYSA-N 543.426 5.196 70 10 KKIE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c(C)c(S(=O)(=O)F)c(C)c1B1OC(C)(C)C(C)(C)O1 1887504693 VXVUWSAFTXRBHN-UHFFFAOYSA-N 648.606 5.636 70 10 KKIE CC(C)[C@@H](COc1c(Br)cc(Br)cc1Br)CS(=O)(=O)Cl 115569833 ITOAORYQOLCPJM-QMMMGPOBSA-N 513.473 5.194 70 10 KKIE Cc1c(S)c(C)c(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c(C)c1C[B-](F)(F)F 1887518493 BBOMDTQTTZJTKG-UHFFFAOYSA-N 539.452 6.901 70 10 KKIE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c(C)c([B-](F)(F)F)c(C)c1N=[N+]=[N-] 1887514262 SKVFPMLZJBYABB-UHFFFAOYSA-N 548.398 6.675 70 10 KKIE O=S(=O)(Cl)c1ccc(Oc2cc(Br)cc(I)c2)cc1Cl 2364097497 GYUZATUUAPCSTM-UHFFFAOYSA-N 507.958 5.427 70 10 KKIE CN(C(=O)c1csc(S(=O)(=O)Cl)c1OCc1ccccc1)[C@H]1CC[C@@H]1OCc1ccccc1 2100153270 QNSVOSOKXMJLNL-SFTDATJTSA-N 506.045 5.074 70 10 KKIE Cc1ccc(S(=O)(=O)N=[S@](=O)(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2)cc1 1615947021 FBFNYRRMEGHGDC-LHEWISCISA-N 569.688 5.965 70 10 KKIE O=C(c1csc(S(=O)(=O)Cl)c1OCc1ccccc1)N1CCC[C@@H](OCc2ccccc2)C1 2129802682 FCGVBBMFCWQIJI-HXUWFJFHSA-N 506.045 5.076 70 10 KKIE CCOC(=O)C(=NNc1ccccc1)P(=C(N=Nc1ccccc1)C(=O)OCC)(c1ccccc1)c1ccccc1 1084306550 HQIAYSAAITZEMV-UHFFFAOYSA-N 566.598 6.121 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)CCCOc3ccccc3Cl)c2)cc1 216681461 WHIFQSYFIPWEMP-UHFFFAOYSA-N 510.974 5.603 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)CCCOc2c(C)cccc2C)cc1 216656371 UPVQEMVAZQRHRJ-UHFFFAOYSA-N 504.583 5.566 70 10 KKIE Cc1c(C#C[Si](C)(C)C)cc([B-](F)(F)F)cc1CNC(=O)OCC1c2ccccc2-c2ccccc21 1887521882 MUOKPXRWAKHMLQ-UHFFFAOYSA-N 506.429 6.317 70 10 KKIE O=S(=O)(Oc1ccc(/C(=N/NC(=S)Nc2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1)C(F)(F)F 1615943472 HJBYXFKDDFGWOA-TURZUDJPSA-N 548.395 5.961 70 10 KKIE Cc1c(I)c(C)c(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c(C)c1CS(=O)(=O)F 1887515464 XDUCQVHLJLSLMK-UHFFFAOYSA-N 648.538 6.087 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)/C=C/c3ccccc3Br)c2)cc1 216693434 BHQSAFCDNQJGGZ-NTCAYCPXSA-N 523.383 5.566 70 10 KKIE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(I)cc1[B-](F)(F)F 1887521879 MNTQNHCFFYXSQZ-UHFFFAOYSA-N 605.227 5.721 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)CCc3cccc(Br)c3)c2)cc1 216691936 IBKXLAAWNSKWLW-UHFFFAOYSA-N 525.399 5.486 70 10 KKIE CC(=NN=C(C(=O)c1ccccc1)c1ccccc1)C(C)=P(c1ccccc1)(c1ccccc1)c1ccccc1 254385066 FARBIWQUIWXXLJ-UHFFFAOYSA-N 538.631 6.921 70 10 KKIE O=S(=O)(Cc1ccccc1)C1=NC(c2ccccc2)=NC1=P(c1ccccc1)(c1ccccc1)c1ccccc1 2059855006 PUXVJLKOHKYSLV-UHFFFAOYSA-N 558.643 5.584 70 10 KKIE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(OS(=O)(=O)F)c(C)c1[B-](F)(F)F 1887515972 UIXBKILQVZWFJT-UHFFFAOYSA-N 591.412 5.018 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 216654932 BEIDJWYEQFXVHR-UHFFFAOYSA-N 510.974 5.440 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)CCc3ccccc3Br)cc2)cc1 216641339 VMCPQMXBMOGDCR-UHFFFAOYSA-N 525.399 5.486 70 10 KKIE O=C(N/N=C(/c1ccc(Cl)cc1)c1ccc(OS(=O)(=O)C(F)(F)F)cc1)Nc1ccc(Oc2ccccc2)cc1 1615946995 DPHYADNCMGZJQP-IVQJCJPDSA-N 589.979 6.935 70 10 KKIE Cc1c(C#C[Si](C)(C)C)c(C)c([B-](F)(F)F)c(C)c1CNC(=O)OCC1c2ccccc2-c2ccccc21 1887518662 VQKKLTAMLRXJKR-UHFFFAOYSA-N 534.483 6.934 70 10 KKIE CC(C)(C)OC(=O)Nc1cc(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(S(=O)(=O)F)c1 1887579233 YUMBMBONTNOMGK-UHFFFAOYSA-N 595.693 5.759 70 10 KKIE c1cc(C2=N[C@@H](C(C3CCCCC3)C3CCCCC3)CO2)nc(C2=N[C@@H](C(C3CCCCC3)C3CCCCC3)CO2)c1 217593879 YYPITFBLCNMXJL-CZNDPXEESA-N 573.866 8.926 70 10 KKIE CCN(CCC(=O)OCCOC(=O)CCl)c1ccc(N=Nc2cc(Cl)c(S(=O)(=O)F)cc2Cl)c(C)c1 606510149 SRZBKCJVHZJEQN-UHFFFAOYSA-N 582.865 5.917 70 10 KKIE CCCN[C@@H](c1cc(Cl)c(Br)s1)c1cc(Br)ccc1Br 159889766 GNGJRUPGWGHARM-CYBMUJFWSA-N 502.497 6.778 70 10 KKIE Cc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc([B-](F)(F)F)c(C)c1N1CCN(C(=O)OC(C)(C)C)CC1 1887515830 BSIGANJORDHCBZ-UHFFFAOYSA-N 608.490 6.454 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)CCc2cccc(Br)c2)cc1 216667366 PCONTZTTWSDTTA-UHFFFAOYSA-N 525.399 5.486 70 10 KKIE C[C@@H](CCOc1c(Br)cc(Br)cc1Br)CCS(=O)(=O)Cl 116706477 NFERDTJGZIFAGP-QMMMGPOBSA-N 513.473 5.338 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)COc3cc(C)c(Cl)c(C)c3)cc2)cc1 216629258 CURLLSXLULCPNV-UHFFFAOYSA-N 510.974 5.440 70 10 KKIE Cc1c(B2OC(C)(C)C(C)(C)O2)cc(CS(=O)(=O)Cl)cc1N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887522028 XPKNSKDXSXZWRX-UHFFFAOYSA-N 637.007 5.434 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)CCCOc3ccccc3Cl)cc2)cc1 216631273 LNAIHKLXXLBOFS-UHFFFAOYSA-N 510.974 5.603 70 10 KKIE O=C(NCCCOc1ccc(Br)cc1Cl)N1CCN(C(c2ccccc2)c2ccccc2)CC1 217298859 JIZJPDGOVAFRFZ-UHFFFAOYSA-N 542.905 5.988 70 10 KKIE CC(C)(C)[C@H](COc1c(Br)cc(Br)cc1Br)CS(=O)(=O)Cl 115571686 SJDLWMAHFZGIPQ-MRVPVSSYSA-N 527.500 5.584 70 10 KKIE C=C(C)[C@@H]1CC[C@]2(NC(=O)OC(C)(C)C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(OS(=O)(=O)C(F)(F)F)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 584641447 YJQWNCYPQJUPKN-ONQMKZGISA-N 657.880 9.281 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)CCc3ccccc3Br)c2)cc1 216691263 RSYAGPHKUNZHEN-UHFFFAOYSA-N 525.399 5.486 70 10 KKIE Cc1ccc(C(=O)Nc2c(I)cc(I)cc2I)c(Br)c1 161097289 ZXMCFTOFCKZDMO-UHFFFAOYSA-N 667.848 5.824 70 10 KKIE Cc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc(OS(=O)(=O)F)c(C)c1B1OC(C)(C)C(C)(C)O1 1887510192 JEUBXCNYDPMDHD-UHFFFAOYSA-N 581.471 5.234 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)CCc3ccc(OCC)c(OC)c3)c2)cc1 216685789 OYJMOXHNCKFATG-UHFFFAOYSA-N 520.582 5.131 70 10 KKIE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(S(=O)(=O)F)cc1NC(=O)OC(C)(C)C 1887521440 NBXYPHDNLHHXOO-UHFFFAOYSA-N 609.720 6.067 70 10 KKIE CCCN[C@H](Cc1cc(F)ccc1Br)c1cc(Br)c(Br)s1 161480935 RYDYZXXTQLBDAU-CYBMUJFWSA-N 500.069 6.458 70 10 KKIE CCN(CCCOCc1ccccc1)C(=O)c1csc(S(=O)(=O)Cl)c1OCc1ccccc1 2100123496 OUTPPFBVGNHPQQ-UHFFFAOYSA-N 508.061 5.324 70 10 KKIE CC(C)(C)c1ccc(OCCCNC(=O)NCCc2ccccc2Br)c(Br)c1 217298780 RMTBVPLZDWATLL-UHFFFAOYSA-N 512.286 5.820 70 10 KKIE CC(C)(C)OC(=O)NCCCN(CCCCN(CCCNC(=O)OC(C)(C)C)C(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OCC1c2ccccc2-c2ccccc21 159986168 WYRZWZSRSDVFIK-UHFFFAOYSA-N 847.066 10.098 70 10 KKIE Cc1c(C[B-](F)(F)F)cc(I)cc1N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887521842 JWCYHDCHGXKWJU-UHFFFAOYSA-N 605.227 6.600 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)CCCOc2ccccc2Cl)cc1 216656759 YQEQPYZQQMKMDW-UHFFFAOYSA-N 510.974 5.603 70 10 KKIE Cc1c(CN)c(C)c([B-](F)(F)F)c(C)c1N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887515755 PHMZUKHGCWIBBK-UHFFFAOYSA-N 522.400 5.196 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)COc2ccc(C)cc2C(C)(C)C)cc1 216654797 OOXGUGLJICVZKI-UHFFFAOYSA-N 518.610 5.775 70 10 KKIE CC[C@]12CC[C@H]3[C@H]4CCC(OS(=O)(=O)C(F)(F)F)=CC4=CC[C@H]3[C@H]1CC[C@@]2(O)C#C[Si](C)(C)C 575232646 YLLGNWGJHRVRIZ-WQRAYAPSSA-N 516.698 5.921 70 10 KKIE in-vitro Cc1c(CN2CCNCC2)cc([B-](F)(F)F)c(C)c1NC(=O)OCC1c2ccccc2-c2ccccc21 1887521339 ZCFLAWMSWJMZBS-UHFFFAOYSA-N 508.373 5.124 70 10 KKIE CCCCCOc1ccc(-c2cc(-c3ccc(C(=O)Oc4c(F)c(F)c(F)c(F)c4F)cc3)no2)cc1 148621154 AMSYNYBKBJZAKV-UHFFFAOYSA-N 517.450 7.492 70 10 KKIE Cc1c(C(=O)OC(C)(C)C)cc(N(C)C(=O)OCC2c3ccccc3-c3ccccc32)cc1[B-](F)(F)F 1887521662 DOQJYJOSHGOBLZ-UHFFFAOYSA-N 510.341 6.390 70 10 KKIE Cc1c(I)cc(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc1S(=O)(=O)F 1887521746 NVVYTPTUKSRFQU-UHFFFAOYSA-N 620.484 5.325 70 10 KKIE CC1(C)Cc2cc(/C(=N/NC(=O)Nc3ccc(Cl)cc3)c3ccc(OS(=O)(=O)C(F)(F)F)cc3)ccc2O1 1616047161 VNTBPNFECMWFQR-DFKUXCBWSA-N 567.973 5.856 70 10 KKIE Cc1ccc(N=Nc2ccc(C(C(=O)c3ccccc3)=P(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1 254761340 QOGJXOMDFYMCSC-UHFFFAOYSA-N 574.664 8.808 70 10 KKIE Cc1c(N)c(C)c([B-](F)(F)F)c(C)c1CN1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887515650 AJIQQNGKUAXOGC-UHFFFAOYSA-N 522.400 5.315 70 10 KKIE CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@H](C[C@H](CC(=O)On3nnc4cccnc43)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]21 206559760 JENQVTPDGXSWAX-ZLQOSCAHSA-N 783.216 9.875 70 10 KKIE in-vitro O=C(N/N=C(/c1ccc(Cl)cc1)c1ccc(OS(=O)(=O)C(F)(F)F)cc1)Nc1ccc(OCCF)cc1 1615948731 BOWYKAITIICLDY-OFWBYEQRSA-N 559.925 5.491 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)Cc3cccc(Br)c3)cc2)cc1 216640180 SLXCRTWDYKMIJV-UHFFFAOYSA-N 511.372 5.096 70 10 KKIE CCOC(=O)C(=NC(=O)c1ccccc1)C(c1ccccc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 585660828 SPOJYULNZJEKPP-UHFFFAOYSA-N 555.614 6.046 70 10 KKIE Cc1c(CC(=O)OC(C)(C)C)c(C)c([B-](F)(F)F)c(C)c1N(C)C(=O)OCC1c2ccccc2-c2ccccc21 1887511141 DOAQJDZKBVMBBY-UHFFFAOYSA-N 552.422 6.936 70 10 KKIE CC(C)(C)OC(=O)N(CCCCN(CCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OC(C)(C)C)CCCNC(=O)OCC1c2ccccc2-c2ccccc21 159986459 SNDMLUZGUOQUCU-UHFFFAOYSA-N 847.066 10.098 70 10 KKIE Cc1cc(I)ccc1NC(=O)NCCCOc1ccc(Br)cc1Cl 217298946 DQNOBEZZDSWGFQ-UHFFFAOYSA-N 523.596 5.606 70 10 KKIE CC(C)(C)OC(=O)NCCCN(CCCCN(CCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OCC1c2ccccc2-c2ccccc21 159986033 RWTPTQWOHAETPE-UHFFFAOYSA-N 969.192 12.112 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)Cc3ccc(Br)cc3)cc2)cc1 216640660 CYUNIPNWFXGUTC-UHFFFAOYSA-N 511.372 5.096 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)COc2ccc(Cl)cc2Cl)cc1 216656260 YAPUNZUXKRDWMN-UHFFFAOYSA-N 517.365 5.476 70 10 KKIE Cc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc(NC(=O)OC(C)(C)C)c(C)c1OS(=O)(=O)F 1887520413 KKNVWRJDKQHVDS-UHFFFAOYSA-N 570.639 6.282 70 10 KKIE Cc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc(OS(=O)(=O)F)cc1NC(=O)OC(C)(C)C 1887520611 QCYLJXDUDWGDDM-UHFFFAOYSA-N 556.612 5.974 70 10 KKIE N=C(O[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)C(Cl)(Cl)Cl 217914137 LMICALCPRSCSMO-VIYJWPFNSA-N 685.044 8.048 70 10 KKIE CN[C@H](c1cc(Br)c(Br)s1)c1cc(C(F)(F)F)ccc1Br 159754607 JDBJSWGKWGLFPI-NSHDSACASA-N 507.995 6.363 70 10 KKIE Cc1c(C(=O)OCCOc2ccccc2)sc2ncn(CCCn3cnc4sc(C(=O)OCCOc5ccccc5)c(C)c4c3=O)c(=O)c12 160668295 KHAMAORNSCEUFW-UHFFFAOYSA-N 700.795 5.408 70 10 KKIE COc1cc(Br)ccc1C(=O)Nc1c(Br)cc(Br)cc1Br 160668290 PXQSPAUYBPXARU-UHFFFAOYSA-N 542.847 5.998 70 10 KKIE Cc1c(C[B-](F)(F)F)cc(OS(=O)(=O)F)cc1N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887521368 GPYNXGJHDBWXNI-UHFFFAOYSA-N 577.385 5.588 70 10 KKIE CC1(C)Cc2cc(/C(=N/NC(=O)Oc3ccccc3)c3ccc(OS(=O)(=O)C(F)(F)F)cc3)ccc2O1 1616047258 WNMSZPLVZSOLSX-QUPMIFSKSA-N 534.512 5.170 70 10 KKIE Cc1c(CN2CCNCC2)c(C)c([B-](F)(F)F)c(C)c1NC(=O)OCC1c2ccccc2-c2ccccc21 1887515796 XOXCKRIAELUOTR-UHFFFAOYSA-N 522.400 5.432 70 10 KKIE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc([B-](F)(F)F)c(C)c1I 1887561515 STFGRBARZXSCMF-UHFFFAOYSA-N 619.254 6.029 70 10 KKIE C[Si](C)(C)O[Si](O[SiH](O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C 195756292 UFULLXZLOGKNSI-UHFFFAOYSA-N 964.059 9.724 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)/C=C/c3ccccc3Br)c2)cc1 216693501 FMHUNVHMUVEPHV-NTCAYCPXSA-N 523.383 5.566 70 10 KKIE CCCNC(c1cc(Br)ccc1Br)c1cc(Br)ccc1Br 159841516 ZNUXYXFBUOYCCL-UHFFFAOYSA-N 540.919 6.826 70 10 KKIE Cc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc(NC(=O)OC(C)(C)C)cc1OS(=O)(=O)F 1887506883 GRYPVFJBQZQAJB-UHFFFAOYSA-N 556.612 5.974 70 10 KKIE CC(C)(C)CC(=O)O[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Oc1c(F)c(F)c(F)c(F)c1F 888087655 UXGFJGJSESESQB-SANMLTNESA-N 577.502 6.132 70 10 KKIE Cc1c(CS(=O)(=O)F)cc(I)cc1N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887507045 NOPQXWBTJDYXIV-UHFFFAOYSA-N 620.484 5.470 70 10 KKIE Cc1ccc(C(=O)Nc2c(Br)cc(Br)cc2Br)c(Br)c1 161075450 QAQUPSZWKMJOLR-UHFFFAOYSA-N 526.848 6.297 70 10 KKIE C[Si](C)(C)C#Cc1cc(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(OS(=O)(=O)F)c1 1887515993 XCHYYJWJMKDZDI-UHFFFAOYSA-N 592.765 5.575 70 10 KKIE Cc1c(I)c(C)c(S(=O)(=O)F)c(C)c1CN1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887558076 DFGWSNAJSMKRFK-UHFFFAOYSA-N 648.538 5.941 70 10 KKIE O=C(OCC1c2ccccc2-c2ccccc21)N1CCN(c2cc(C[B-](F)(F)F)cc(OS(=O)(=O)F)c2)CC1 1887561442 WPHLTPDRLPZSJF-UHFFFAOYSA-N 563.358 5.280 70 10 KKIE CCOC(=O)C(/N=N/c1ccccc1)=P(/C(=N/Nc1ccccc1)C(=O)OCC)(c1ccccc1)c1ccccc1 105472742 HQIAYSAAITZEMV-GBGJXMMJSA-N 566.598 6.121 70 10 KKIE C[C@H](F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[Si](Cl)(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@H](C)F 216705166 DWJQGKWROCPMML-ZXZARUISSA-N 593.152 7.783 70 10 KKIE Cc1c(I)cc(CNC(=O)OCC2c3ccccc3-c3ccccc32)c(C)c1[B-](F)(F)F 1887515506 DZCZVXBQQRELGZ-UHFFFAOYSA-N 550.147 6.001 70 10 KKIE CC(C)(C)c1ccc(OCCCNC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c(Br)c1 217298720 IKLMYYINBWIIIX-UHFFFAOYSA-N 507.778 7.009 70 10 KKIE COc1ccc(C(OC[C@@H]2O[C@](n3cnc4c(N)ncnc43)([SiH](C)C)[C@H](O)[C@H]2OC(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 1615266022 ZFNXIXBGNIGFBB-WQEFHEACSA-N 683.882 5.057 70 10 KKIE C[SiH](O[Si](C)(O[Si](C)(O[Si](C)(O[Si](C)(O[SiH](C)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 205193881 RDFYJFQSOXBGHI-UHFFFAOYSA-N 803.373 5.508 70 10 KKIE Cc1c(B2OC(C)(C)C(C)(C)O2)cc(CS(=O)(=O)F)cc1N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887521573 BUOIZEWHULASJN-UHFFFAOYSA-N 620.552 5.165 70 10 KKIE CC[C@H](NC(=O)NCCCOc1ccc(C(C)(C)C)cc1Br)c1ccc2c(c1)CCCC2 217298500 QBEPVIABBBHYSU-DEOSSOPVSA-N 501.509 6.845 70 10 KKIE Cc1c(I)c(C)c(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c(C)c1C[B-](F)(F)F 1887521520 WQTXYCCSLZRHRB-UHFFFAOYSA-N 633.281 7.217 70 10 KKIE N#CC(C1=NC(=O)C(=C2C(=O)Nc3c(Cl)cc(Cl)cc32)S1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 2053621977 GQDUGCSCYFIGBO-UHFFFAOYSA-N 598.451 6.019 70 10 KKIE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@@H]3C[C@]3([B-](F)(F)F)C2)cc1I 2194132912 MOTSAKYLANGVJE-XIKOKIGWSA-N 509.095 5.092 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)CCCOc3c(C)cccc3C)cc2)cc1 216630821 FNOWBJKDTCQNEP-UHFFFAOYSA-N 504.583 5.566 70 10 KKIE N=C(O[C@H]1O[C@@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)C(Cl)(Cl)Cl 160904001 LMICALCPRSCSMO-OWCNLOMBSA-N 685.044 8.048 70 10 KKIE CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC5(OCCO5)[C@@H](Br)C[C@]4(C)[C@H]3CC[C@@]21C 136788258 MZQGLXCIKCGLMF-CBAKPDRDSA-N 509.613 8.224 70 10 KKIE Cc1c(S)c(C)c([B-](F)(F)F)c(C)c1CN1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887514009 VMTWDQOFPPUZSN-UHFFFAOYSA-N 539.452 6.022 70 10 KKIE CC1(C)Cc2cc(/C(=N/NC(=O)CCCCCCCCCC=C(F)F)c3ccc(OS(=O)(=O)C(F)(F)F)cc3)ccc2O1 1616046438 KPMAZTFTONQBDX-PNFNHJRFSA-N 630.676 7.788 70 10 KKIE CCOC(=O)c1ccc([C@@H](C)n2nc(-c3cc(Cl)cc(Cl)c3)cc2OS(=O)(=O)C(F)(F)F)cc1 165736205 AXQYETYTUKRFPY-GFCCVEGCSA-N 537.343 5.871 70 10 KKIE Cc1c(CN2CCN(C(=O)OC(C)(C)C)CC2)cc(OS(=O)(=O)F)c(C)c1NC(=O)OCC1c2ccccc2-c2ccccc21 1887515988 WKBWMXADKSKJIU-UHFFFAOYSA-N 639.746 6.310 70 10 KKIE O=c1c2c(-c3ccc(Br)cc3)csc2ncn1CCn1cnc2scc(-c3ccc(Br)cc3)c2c1=O 160525896 VOIYZCAXMCBECD-UHFFFAOYSA-N 640.382 6.789 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 216654999 YDUOCRMXUXEPEN-UHFFFAOYSA-N 510.974 5.440 70 10 KKIE Cc1c(C(=O)OC(C)(C)C)c(C)c([B-](F)(F)F)c(C)c1N(C)C(=O)OCC1c2ccccc2-c2ccccc21 1887518612 RXMWQFNRYJKZQI-UHFFFAOYSA-N 538.395 7.007 70 10 KKIE Cc1c(NC(=O)OCC2c3ccccc3-c3ccccc32)cc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1S(=O)(=O)F 1887521496 UGRGKQLODUROLS-UHFFFAOYSA-N 609.720 6.067 70 10 KKIE CCCN[C@H](c1cc(Br)ccc1Br)c1cc(Br)sc1Br 159847517 REAQPOGJGUILFG-CYBMUJFWSA-N 546.948 6.887 70 10 KKIE Cc1c(S)cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc1C[B-](F)(F)F 1887521871 MEZYPZQTDCMBIS-UHFFFAOYSA-N 511.398 6.284 70 10 KKIE COc1ccc(C(OC[C@@H]2O[C@](n3ccc(=NCc4ccccc4)nc3O)([SiH](C)C)[C@@H](O)[C@@H]2OC(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 1614137660 GJDRUJPEVPFXKZ-BCKNVEOKSA-N 749.981 6.338 70 10 KKIE Cc1c(CS(=O)(=O)Cl)cc(N=[N+]=[N-])cc1N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887522882 WFGZNYYTJOQIJR-UHFFFAOYSA-N 552.056 6.077 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)cc2)cc1 216630346 GATKIWYCORKVPP-HXUWFJFHSA-N 504.583 5.681 70 10 KKIE O=C(N/N=C(\c1ccc(Cl)cc1)c1ccc(OS(=O)(=O)C(F)(F)F)cc1)Nc1ccc([N+](=O)[O-])cc1 1615950582 VGHIUPJWFCRQJM-ZXVVBBHZSA-N 542.879 5.051 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)CCc3ccc(Br)cc3)c2)cc1 216692397 PRQPFVDOFWSRMT-UHFFFAOYSA-N 525.399 5.486 70 10 KKIE CC(C)(C)c1ccc(OCCCNC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(Br)c1 217298678 SJZIUOXPJBWQTO-UHFFFAOYSA-N 541.330 7.375 70 10 KKIE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(S(=O)(=O)F)c(C)c1B1OC(C)(C)C(C)(C)O1 1887515926 OJMNRAXUZOZKMW-UHFFFAOYSA-N 634.579 5.328 70 10 KKIE Cc1c(I)cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc1CS(=O)(=O)Cl 1887522007 WSTFBTUXYSPTLX-UHFFFAOYSA-N 636.939 5.739 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)C(c2ccccc2)c2ccccc2)cc1 216649033 FZMYDSRFKDZKDS-UHFFFAOYSA-N 508.574 5.923 70 10 KKIE COc1ccc(C(OC[C@@H]2O[C@](n3ccc(=NCc4ccccc4)nc3O)([SiH](C)C)[C@@H](O)[C@H]2OC(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 1614137661 GJDRUJPEVPFXKZ-DICNLNQGSA-N 749.981 6.338 70 10 KKIE O=S(=O)(O[C@H]1[C@@H](COCc2ccccc2)O[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1)C(F)(F)F 72399428 ZZAHKHYZOOLOLW-ZJKZPDEISA-N 672.718 6.551 70 10 KKIE in-vitro CCN(CC)c1ccc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4C[C@@H]([C@H]5C(=O)N(c6ccc(F)cc6)C(=O)[C@H]45)[C@H]23)cc1 217383167 CTIMUFYPHZCUTC-GCWMNCCDSA-N 549.693 5.100 70 10 KKIE CC1=C(OS(=O)(=O)C(F)(F)F)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C 218848273 YOIMFEXPXGPPAD-DOTOQJQBSA-N 504.760 6.701 70 10 KKIE COC(=O)C(=NC(=O)c1ccccc1)C(SCc1ccccc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 2297515840 PDIKQVJQOLQDNM-UHFFFAOYSA-N 587.681 6.498 70 10 KKIE Cc1c(NC(=O)OC(C)(C)C)cc(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc1OS(=O)(=O)F 1887508000 XMTVXLONEFZSGS-UHFFFAOYSA-N 625.719 6.002 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)c2cc(OCC)c(OCC)c(OCC)c2)cc1 216650642 XXGXCRLODQKRHA-UHFFFAOYSA-N 550.608 5.600 70 10 KKIE Cc1c(C(=O)OC(C)(C)C)cc(OS(=O)(=O)F)cc1N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887521211 XRDNZPNJXFXPMB-UHFFFAOYSA-N 596.677 5.615 70 10 KKIE Cc1c(CS)c(C)c(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c(C)c1OS(=O)(=O)F 1887518518 DOVNMDOMHNSMQG-UHFFFAOYSA-N 570.708 5.706 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)[C@H](C)Oc3ccccc3C(C)C)cc2)cc1 216629607 HLPZDFMOTCDGMA-FQEVSTJZSA-N 504.583 5.681 70 10 KKIE Cc1c(N=[N+]=[N-])cc(C[B-](F)(F)F)cc1N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887520539 DGNOPMPXKCCEQN-UHFFFAOYSA-N 520.344 6.937 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)c3ccccc3I)c2)cc1 216675218 LBKPPUQWEGSZSS-UHFFFAOYSA-N 544.345 5.009 70 10 KKIE [N-]=[N+]=Nc1cc(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(OS(=O)(=O)F)c1 1887515509 FJKXPJWDNWXMON-UHFFFAOYSA-N 537.573 5.288 70 10 KKIE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@H]3C[C@]3([B-](F)(F)F)C2)cc1I 2194132911 MOTSAKYLANGVJE-SGTLLEGYSA-N 509.095 5.092 70 10 KKIE Cl[Si](Cl)(Cl)CCCc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(CCC[Si](Cl)(Cl)Cl)cc4)cc3)cc2)cc1 217458573 ZUNFEJYRMSYFGO-UHFFFAOYSA-N 839.670 15.469 70 10 KKIE Cc1c(C#C[Si](C)(C)C)c(C)c(OS(=O)(=O)F)c(C)c1CNC(=O)OCC1c2ccccc2-c2ccccc21 1887518707 ZAOMOSJCPSPGDL-UHFFFAOYSA-N 565.739 6.473 70 10 KKIE C/C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)=N\N=C(\C(=O)c1ccccc1)c1ccccc1 105168786 RQAIUFIUSYRVCQ-SSONLIQASA-N 524.604 6.531 70 10 KKIE CCCN[C@H](Cc1ccc(F)cc1Br)c1cc(Br)c(Br)s1 161308191 YOOAWURKNNLIBR-CYBMUJFWSA-N 500.069 6.458 70 10 KKIE CC[C@]12CC[C@H]3[C@H]4CCC(OS(=O)(=O)C(F)(F)F)=CC4=CC[C@H]3[C@H]1CC[C@]2(O)C#C[Si](C)(C)C 575232643 YLLGNWGJHRVRIZ-PQZIIDKGSA-N 516.698 5.921 70 10 KKIE in-vitro Cc1c(CN2CCN(C(=O)OC(C)(C)C)CC2)cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(C)c1S(=O)(=O)F 1887515499 CKMJEVCEJBUNNO-UHFFFAOYSA-N 623.747 6.375 70 10 KKIE CC(C)(C)OC(=O)Nc1c(I)cc(I)c(C(C)(C)CS(=O)(=O)Cl)c1I 1952647332 LZBVORABJVBJJI-UHFFFAOYSA-N 725.552 5.694 70 10 KKIE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccccc1S(=O)(=O)F 2269526399 IDQCZXSOLLFHFS-DEOSSOPVSA-N 510.587 5.237 70 10 KKIE CCCC1(CCC)B(OB2N(c3ccccc3)C3=C(CCCC3)C2(CCC)CCC)N(c2ccccc2)C2=C1CCCC2 195795926 SNKMFZWUVSUXEU-UHFFFAOYSA-N 576.487 11.357 70 10 KKIE Cc1c(I)cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc1CS(=O)(=O)F 1887578305 RCPIEWUNKSPWAF-UHFFFAOYSA-N 620.484 5.470 70 10 KKIE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)Cn1cnc2sc(C(=O)Nc3ccc(C)cc3C)c(C)c2c1=O 160601624 OVCHIJJLPFXOBB-UHFFFAOYSA-N 635.167 6.833 70 10 KKIE Cl[Si]1(Cl)N2C3=NC4=N[C@@H](N=c5c6ccccc6c(n51)=NC1=NC(=N[C@H]2c2ccccc23)c2ccccc21)c1ccccc14 1073234688 OAHISBKTIDKNAO-ZOYWYXQUSA-N 613.544 5.096 70 10 KKIE O=C1c2c(-c3ccccc3)cc(CCl)nc2OCCN1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 34761307 YKDUDIWXQXNARS-UHFFFAOYSA-N 514.853 6.560 70 10 KKIE Cc1c(N2CCN(C(=O)OC(C)(C)C)CC2)cc(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1[B-](F)(F)F 1887522252 OFWQFCFYMGIVPB-UHFFFAOYSA-N 594.463 6.145 70 10 KKIE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(OS(=O)(=O)F)cc1N=[N+]=[N-] 1887522794 OPTLCUYVVKYRAK-UHFFFAOYSA-N 551.600 5.597 70 10 KKIE CC(=O)N[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(=O)Cc5ccc(N(CCCl)CCCl)cc5)CC[C@]4(C)[C@H]3CC[C@@]21C 118939531 BLLAWDFADRSHFN-UGPYNDIFSA-N 591.664 6.972 70 10 KKIE Cc1cc(Br)c([C@H](O)c2cc(Br)ccc2Br)cc1Br 161053737 LNVATZNJGUVDDR-CQSZACIVSA-N 513.849 6.127 70 10 KKIE C[SiH](C)[C@]1(n2cnc3c(N)nc(Nc4ccccc4)nc32)O[C@H](COC(C)(C)C)[C@H](OC(C)(C)C)[C@@H]1OC(C)(C)C 888085991 PYJOVDPNUNHBEP-RWCAEFNYSA-N 584.838 5.412 70 10 KKIE Cc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)c(C)c(N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1OS(=O)(=O)F 1887577429 RWQBSUVVNJYGLN-UHFFFAOYSA-N 653.773 6.301 70 10 KKIE CCC[C@H](COc1c(Br)cc(Br)cc1Br)CS(=O)(=O)Cl 115569223 ISZNZBHXYAKNOV-MRVPVSSYSA-N 513.473 5.338 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)COc3ccc(C)cc3C(C)(C)C)c2)cc1 216680332 BAEXTHXCMNNBQU-UHFFFAOYSA-N 518.610 5.775 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)/C=C/c2cccc(Br)c2)cc1 216669576 VTQTVUQPIDMCEH-XNTDXEJSSA-N 523.383 5.566 70 10 KKIE Cc1c(CN=[N+]=[N-])cc(OS(=O)(=O)F)c(C)c1N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887520309 WUANDVNCXFTZHP-UHFFFAOYSA-N 565.627 5.778 70 10 KKIE CCCCCCCCCCCCCCCCNS(=O)(=O)c1ccc(Cl)c(NC(=O)CC(=O)c2cccc(S(=O)(=O)F)c2)c1 585667289 DUXVLKPTZTVERV-UHFFFAOYSA-N 659.286 7.969 70 10 KKIE Cc1c(C[B-](F)(F)F)c(C)c(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c(C)c1N=[N+]=[N-] 1887514023 XTGOTAPKTNHFNK-UHFFFAOYSA-N 548.398 7.554 70 10 KKIE Cc1c(I)cc(C[B-](F)(F)F)cc1N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887522048 YPSBBHDZDTVWDT-UHFFFAOYSA-N 605.227 6.600 70 10 KKIE CCCN[C@@H](c1cc(Br)ccc1Br)c1cc(Br)sc1Br 159847391 REAQPOGJGUILFG-ZDUSSCGKSA-N 546.948 6.887 70 10 KKIE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(S(=O)(=O)F)c(C)c1I 1887515942 PKCUXSQGNPCWBR-UHFFFAOYSA-N 634.511 5.633 70 10 KKIE COc1ccc(C(NCCCC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)Oc2c(F)c(F)c(F)c(F)c2F)(c2ccccc2)c2ccccc2)cc1 2037924030 UVYYVGROLNAODX-LHEWISCISA-N 806.828 9.955 70 10 KKIE C[C@@H](NC(=O)c1cc(Br)ccc1I)c1ccc(Br)cc1 217462206 HCWGHFRNADYXGL-SECBINFHSA-N 508.979 5.307 70 10 KKIE CCCCN(CCCC)c1ccc2c(c1)Oc1ccc(Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)cc1[C@]21OC(=O)c2ccccc21 159596179 DQZZIPZLLBZSNG-LDLOPFEMSA-N 665.856 8.579 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)Cc3ccccc3Br)c2)cc1 216689505 HTPXVJGJINSGKX-UHFFFAOYSA-N 511.372 5.096 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)CCc3ccc(OCC)c(OC)c3)c2)cc1 216685723 XOSFYBOTKCFWMV-UHFFFAOYSA-N 520.582 5.131 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)[C@H](C)Oc3ccccc3C(C)C)c2)cc1 216680778 SVCLBAYIZAZUQD-FQEVSTJZSA-N 504.583 5.681 70 10 KKIE Cc1c(I)cc([B-](F)(F)F)cc1CN1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887508004 YKXRSKNBOLZTBC-UHFFFAOYSA-N 605.227 5.721 70 10 KKIE Cc1cc(I)ccc1NC(=O)NCCCOc1ccc(C(C)(C)C)cc1Br 217298534 BETDCTRYGNBYJV-UHFFFAOYSA-N 545.259 6.250 70 10 KKIE N=C(O[C@@H]1O[C@@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OC(=O)c1ccccc1)C(Cl)(Cl)Cl 217513223 ACXNJAYAZVTNFJ-KJYHPSGHSA-N 726.993 6.969 70 10 KKIE CC1(C)C[C@@H](NC(=O)c2csc(S(=O)(=O)Cl)c2OCc2ccccc2)[C@@H]1OCc1ccccc1 2156373739 JHIVOSIVCVMNNI-IRLDBZIGSA-N 520.072 5.368 70 10 KKIE Cc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)c(C)c([B-](F)(F)F)c(C)c1OS(=O)(=O)F 1887518678 WTZSEOHYXQFVJQ-UHFFFAOYSA-N 536.332 5.298 70 10 KKIE Cc1c(CS(=O)(=O)Cl)c(C)c(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c(C)c1OS(=O)(=O)F 1887515426 SSCJHNVMFKIOER-UHFFFAOYSA-N 637.151 5.345 70 10 KKIE Cc1c(N=[N+]=[N-])cc(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc1OS(=O)(=O)F 1887521848 KOGWESCUOPXEJS-UHFFFAOYSA-N 551.600 5.597 70 10 KKIE FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[Si](Cl)Cl 218135966 IDZZXJVYKWNWCE-UHFFFAOYSA-N 532.073 6.962 70 10 KKIE Cc1c(NC(=O)OCC2c3ccccc3-c3ccccc32)c(C)c([B-](F)(F)F)c(C)c1C(=O)OC(C)(C)C 1887518523 DUJSCUOUPWQLMN-UHFFFAOYSA-N 524.368 6.983 70 10 KKIE COc1cc(/C=C2/CCc3c2nc2ccccc2c3C(=O)OCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc(OC)c1OC 159455613 WVQHKIWPARJGNT-QJOMJCCJSA-N 651.115 7.989 70 10 KKIE C[C@]12CC[C@H](OC(=O)CBr)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(=O)CBr)CC[C@@H]12 135814376 ZJOSZVQQVZODIK-OENGMGLDSA-N 534.329 5.643 70 10 KKIE CC(C)(C)OC(=O)n1cc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)Oc2c(F)c(F)c(F)c(F)c2F)c2ccccc21 211805349 IDYZGIYCOLJXRE-AREMUKBSSA-N 692.637 8.175 70 10 KKIE CCN(Cc1ccc(Br)s1)C(=O)c1cc(Br)ccc1I 218166991 BOCWAZUKMLAICC-UHFFFAOYSA-N 529.035 5.540 70 10 KKIE Cc1c(I)c(C)c(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c(C)c1CS(=O)(=O)Cl 1887521537 YQUZWDJUEWMQSP-UHFFFAOYSA-N 664.993 6.356 70 10 KKIE C[C@H](F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[Si](Cl)(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@H](C)F 216705263 DWJQGKWROCPMML-IMJSIDKUSA-N 593.152 7.783 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)CCc2cccc(Br)c2)cc1 216667427 JGIXHLNUPAPRAQ-UHFFFAOYSA-N 525.399 5.486 70 10 KKIE CCN[C@@H](c1cc(Br)ccc1Br)c1cc(Br)sc1Br 159837508 VABIRGMWIKLFJP-LBPRGKRZSA-N 532.921 6.497 70 10 KKIE NC(=O)C[C@H](C(=O)Oc1c(F)c(F)c(F)c(F)c1F)N(C(=O)OCC1c2ccccc2-c2ccccc21)C(c1ccccc1)(c1ccccc1)c1ccccc1 150663577 DDYACEPAHVBBBO-UUWRZZSWSA-N 762.731 8.775 70 10 KKIE O=[N+]([O-])c1cc(NC(=S)N/N=C(\c2ccc(Cl)cc2)c2ccc(OS(=O)(=O)C(F)(F)F)cc2)ccc1Cl 1615945125 UUSCAPPGITWURG-TURZUDJPSA-N 593.392 5.869 70 10 KKIE CC1(C)Cc2cc(/C(=N/NC(=O)Nc3ccc([N+](=O)[O-])cc3)c3ccc(OS(=O)(=O)C(F)(F)F)cc3)ccc2O1 1616046095 GHMFETNCNSYDHL-JBASAIQMSA-N 578.525 5.111 70 10 KKIE COC(=O)Cc1c(C)c(N(C)C(=O)OCC2c3ccccc3-c3ccccc32)c(C)c([B-](F)(F)F)c1C 1887517918 PUUBIKQMNKVENF-UHFFFAOYSA-N 510.341 5.767 70 10 KKIE CC(C)(C)OC(=O)Nc1c(Br)cc(Br)cc1C(C)(C)CS(=O)(=O)Cl 1952632835 OCXNPOOWARCNLZ-UHFFFAOYSA-N 505.656 5.405 70 10 KKIE Cc1c(CN2CCN(C(=O)OC(C)(C)C)CC2)cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(C)c1OS(=O)(=O)F 1887515932 OPQJDMDYLSAQPQ-UHFFFAOYSA-N 639.746 6.310 70 10 KKIE Cc1c(CN2CCN(C(=O)OC(C)(C)C)CC2)c(C)c([B-](F)(F)F)c(C)c1NC(=O)OCC1c2ccccc2-c2ccccc21 1887521427 MBCJSFBJZMDHML-UHFFFAOYSA-N 622.517 7.080 70 10 KKIE COC(=O)C(=NC(=O)c1ccc(C)cc1)C(Cl)=P(c1ccccc1)(c1ccccc1)c1ccccc1 585658553 MIGJMWXKBGJKQC-UHFFFAOYSA-N 513.961 5.112 70 10 KKIE COc1ccc(C(OC[C@@H]2O[C@](n3cnc4c(N)ncnc43)([SiH](C)C)[C@@H](O)[C@H]2OC(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 1615266021 ZFNXIXBGNIGFBB-WAOBCCGISA-N 683.882 5.057 70 10 KKIE C#Cc1c(C)c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c(C)c([B-](F)(F)F)c1C 1887518669 VXZSXQAWNYPQMX-UHFFFAOYSA-N 531.407 5.714 70 10 KKIE Cc1c(I)cc(CS(=O)(=O)Cl)cc1N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887508027 ZUTWIHLCQPUTEE-UHFFFAOYSA-N 636.939 5.739 70 10 KKIE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c(C)c([B-](F)(F)F)c(C)c1NC(=O)OC(C)(C)C 1887521540 YWDWHQVOWFQFOP-UHFFFAOYSA-N 622.517 7.080 70 10 KKIE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)Cn1cnc2sc(C(=O)OCCOc3ccccc3)c(C)c2c1=O 160667358 HQXDCMAXVULMHE-UHFFFAOYSA-N 652.150 6.200 70 10 KKIE CC(C)=CC[C@]12Oc3cc(O)ccc3[C@@]1(O)Oc1cc(O)c([C@@H]3C=C(C)C[C@H](c4ccc(O)cc4O)[C@H]3C(=O)c3ccc(O)cc3O)c(O)c1C2=O 161507566 SUOXGDJCEWTZIZ-JPNCQBQXSA-N 708.716 6.250 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)[C@@H](C)Oc3ccccc3C(C)C)cc2)cc1 216629564 HLPZDFMOTCDGMA-HXUWFJFHSA-N 504.583 5.681 70 10 KKIE O=C(OCC1c2ccccc2-c2ccccc21)N1CCN(c2cc(I)cc(CS(=O)(=O)Cl)c2)CC1 1887522810 PRWSYNALRQWDSV-UHFFFAOYSA-N 622.912 5.431 70 10 KKIE CCOC(=O)CC[C@H](O[Si@@H](O[C@H](CCC(=O)OCC)c1ccccc1)c1ccccc1)c1ccccc1 1933310231 ALWAHKLUPOQVLW-HCYJLKHRSA-N 520.698 5.317 70 10 KKIE C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](OC(=O)Cc5ccc(N(CCCl)CCCl)cc5)CC[C@@]43C)[C@@H]1CCCN2 95857123 CPICDLRHHBTQBZ-ABKLYSGHSA-N 549.627 6.810 70 10 KKIE CCC(C)(C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@@H](C)[C@@H](CC[C@@H](C[C@@H](CC(=O)On3nnc4cccnc43)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H]21 248251591 JENQVTPDGXSWAX-CWIAMKCGSA-N 783.216 9.875 70 10 KKIE O=S(=O)(Cl)c1cc(Br)c(OCc2ccccc2Br)c(Br)c1 59148223 FGDAQBAGJWDJBB-UHFFFAOYSA-N 519.436 5.481 70 10 KKIE Cc1c(CS)cc(OS(=O)(=O)F)cc1N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887522241 NFKWLAWTPDOHOD-UHFFFAOYSA-N 542.654 5.089 70 10 KKIE Cc1cc(Br)c(NC(=O)c2cc(Br)ccc2Br)c(Br)c1 160074186 MBBXXBUDQXYJAJ-UHFFFAOYSA-N 526.848 6.297 70 10 KKIE C[C@H](CCOc1c(Br)cc(Br)cc1Br)CCS(=O)(=O)Cl 116706480 NFERDTJGZIFAGP-MRVPVSSYSA-N 513.473 5.338 70 10 KKIE Cc1c(CN=[N+]=[N-])cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c(C)c1OS(=O)(=O)F 1887520298 VUKXZBSGZBDVTR-UHFFFAOYSA-N 565.627 5.778 70 10 KKIE CCCCOC(=O)c1ccccc1NC(=O)NCCCOc1ccc(C(C)(C)C)cc1Br 217298523 KOZJVUVIZKHDGR-UHFFFAOYSA-N 505.453 6.294 70 10 KKIE Cc1c(CN2CCN(C(=O)OC(C)(C)C)CC2)cc(OS(=O)(=O)F)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 1887522072 ABAUQZUNBKUIMF-UHFFFAOYSA-N 625.719 6.002 70 10 KKIE Cc1c(CS)cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc1OS(=O)(=O)F 1887522088 ASVYYBIHBYJULT-UHFFFAOYSA-N 542.654 5.089 70 10 KKIE CC(C)(C)P(Cc1cc(-c2ccccc2)c(-c2ccccc2)cc1CP(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2)C(C)(C)C 218626400 VTVFXNKSLYYIIG-UHFFFAOYSA-N 702.988 14.519 70 10 KKIE Cc1c(S)cc(C[B-](F)(F)F)cc1N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887521877 MNIALQCFTUXAFK-UHFFFAOYSA-N 511.398 6.284 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)CCCOc2ccc(C(C)(C)C)cc2)cc1 216656474 NXCINNSUSVAACF-UHFFFAOYSA-N 532.637 6.247 70 10 KKIE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(N=[N+]=[N-])c(C)c1[B-](F)(F)F 1887561497 UAUVLHJODUNKQY-UHFFFAOYSA-N 534.371 6.366 70 10 KKIE CC(C)(C)[C@@H](COc1c(Br)cc(Br)cc1Br)CS(=O)(=O)Cl 115571683 SJDLWMAHFZGIPQ-QMMMGPOBSA-N 527.500 5.584 70 10 KKIE Cc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc(B2OC(C)(C)C(C)(C)O2)c(C)c1OS(=O)(=O)F 1887510274 LZRHGZIUCGYWLY-UHFFFAOYSA-N 581.471 5.234 70 10 KKIE Cc1ccc(C(c2ccccc2)(c2ccccc2)N(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](CCC(N)=O)C(=O)Oc2c(F)c(F)c(F)c(F)c2F)cc1 575431800 UAIPSXMAEBAZDJ-BHVANESWSA-N 790.785 9.473 70 10 KKIE CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](Br)[C@H](Br)C[C@]4(C)[C@H]3CC[C@@]21C 135618264 KFRQNXHOVDCRIV-RUXQDQFYSA-N 530.473 9.245 70 10 KKIE O=S(=O)(Cl)c1ccc(Oc2ccc(Br)cc2Br)c(Br)c1 114992004 HSEUAOKKSKHDEB-UHFFFAOYSA-N 505.409 5.694 70 10 KKIE N#CC(C1=NC(=O)C(=Cc2ccc(F)cc2)S1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 2053528037 JZYRWXJGWBMURI-UHFFFAOYSA-N 506.542 5.529 70 10 KKIE Cc1ccc2nc(-c3ccc(NC(=O)NCCCOc4ccc(C(C)(C)C)cc4Br)cc3)sc2c1 217298709 AZTROEITUWQOPQ-UHFFFAOYSA-N 552.538 7.922 70 10 KKIE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc([B-](F)(F)F)cc1N=[N+]=[N-] 1887561498 VFYCWDAVINYCDC-UHFFFAOYSA-N 520.344 6.058 70 10 KKIE COc1ccc(C(NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)Oc2c(F)c(F)c(F)c(F)c2F)(c2ccccc2)c2ccccc2)cc1 159983922 TVTGFNDFICVUJN-UHFFFAOYSA-N 879.913 6.401 70 10 KKIE O=S(=O)(Cl)c1ccc(Oc2c(I)cc(Cl)cc2I)cc1 312681478 ZRUGTQRQCSOJEG-UHFFFAOYSA-N 554.958 5.269 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)CCc2ccccc2Br)cc1 216666818 FIFTVJJICLDTOT-UHFFFAOYSA-N 525.399 5.486 70 10 KKIE Cc1c(NC(=O)OC(C)(C)C)cc(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc1[B-](F)(F)F 1887522123 DMHMVDRXCDHHNF-UHFFFAOYSA-N 594.463 6.463 70 10 KKIE CC(C)(C)OC(=O)N1CCN(Cc2cc(NC(=O)OCC3c4ccccc4-c4ccccc43)cc(S(=O)(=O)F)c2)CC1 1887520265 RYKMZJSBUFDQQD-UHFFFAOYSA-N 595.693 5.759 70 10 KKIE CCOc1cc(C(=O)Nc2ccc(NC(=O)c3ccc(OC)c(OC)c3)cc2)cc(OCC)c1OCC 216898275 IJKLKQPUBNZOCW-UHFFFAOYSA-N 508.571 5.405 70 10 KKIE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c(C)c(S(=O)(=O)F)c(C)c1N=[N+]=[N-] 1887551804 PNUWIEPRKZEDDH-UHFFFAOYSA-N 563.655 6.279 70 10 KKIE Cc1c(C)c(-c2ccccc2)c(C)c(C)c1B(c1c(C)c(C)c(-c2ccccc2)c(C)c1C)c1c(C)c(C)c(-c2ccccc2)c(C)c1C 197123158 NSJXYLGMFHLFOV-UHFFFAOYSA-N 638.748 10.905 70 10 KKIE Cc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc(OS(=O)(=O)F)c(C)c1NC(=O)OC(C)(C)C 1887520336 AHVWUTLOKKSQPW-UHFFFAOYSA-N 570.639 6.282 70 10 KKIE N=C(N)c1cccc(OCCCCOc2ccccc2NC(=O)Nc2cc(S(=O)(=O)F)ccc2Cl)c1 85565614 LSQFJDPLGRTOAS-UHFFFAOYSA-N 534.997 5.164 70 10 KKIE c1cc2c(cc1CCCB(CCCc1ccc3c(c1)OCO3)CCCc1ccc3c(c1)OCO3)OCO2 206775264 CKQOBVPJGWXUFM-UHFFFAOYSA-N 500.400 6.566 70 10 KKIE CN[C@@H](c1cc(Br)c(Br)s1)c1cc(C(F)(F)F)ccc1Br 159754726 JDBJSWGKWGLFPI-LLVKDONJSA-N 507.995 6.363 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)CCCOc2c(C)cccc2C)cc1 216656417 UIDWKYUIGYJWEY-UHFFFAOYSA-N 504.583 5.566 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)[C@H](C)Oc3ccccc3C(C)C)c2)cc1 216680892 RTHOOAYRCUGTIQ-FQEVSTJZSA-N 504.583 5.681 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)[C@H](C)Oc3ccc(C(C)C)cc3)c2)cc1 216681263 XBSOCHQIOCRXQV-FQEVSTJZSA-N 504.583 5.681 70 10 KKIE Cc1c(CN2CCN(C(=O)OC(C)(C)C)CC2)cc(S(=O)(=O)F)c(C)c1NC(=O)OCC1c2ccccc2-c2ccccc21 1887515623 WWBGMSAFYHXAQB-UHFFFAOYSA-N 623.747 6.375 70 10 KKIE O=[N+]([O-])c1cc([N+](=O)[O-])c([C@H](Br)[C@H](Br)c2ccccc2)cc1/C=C/c1ccccc1 109083241 XSGGGUXVTDBRJI-LVIAPQIJSA-N 532.188 7.246 70 10 KKIE O[Si]1(C2CCCCC2)O[Si@]2(C3CCCCC3)O[SiH](C3CCCCC3)O[Si@@](C3CCCCC3)(O1)O[Si@@](O)(C1CCCCC1)O[SiH](C1CCCCC1)O[Si@](O)(C1CCCCC1)O2 1933216032 AJQWTUFQQHTVRM-YYEVAJMZSA-N 959.709 10.599 70 10 KKIE O=C(COc1c(Br)cc(Br)cc1Br)Nc1cccc(Oc2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)c1 159732794 NVBXPJYTIGAHTD-IBGZPJMESA-N 709.185 6.559 70 10 KKIE Cc1c(CN2CCN(C(=O)OC(C)(C)C)CC2)c(C)c(OS(=O)(=O)F)c(C)c1NC(=O)OCC1c2ccccc2-c2ccccc21 1887520819 HBOYBKRXIDQAOA-UHFFFAOYSA-N 653.773 6.619 70 10 KKIE Cc1cc(Br)c(S(=O)(=O)Nc2ccc(C)c(I)c2)cc1Br 159600459 BKTPLFJFMDPIHN-UHFFFAOYSA-N 545.034 5.234 70 10 KKIE O=S(=O)(Oc1ccc2ccccc2c1-c1c(-c2ccc3ccccc3c2-c2c(OS(=O)(=O)C(F)(F)F)ccc3ccccc23)ccc2ccccc12)C(F)(F)F 1857791077 NETYFQHSAQIPBW-UHFFFAOYSA-N 802.770 11.757 70 10 KKIE Cc1c(CC(=O)O)c(C)c([B-](F)(F)F)c(C)c1N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887515231 OUQFTHXIAGHYTP-UHFFFAOYSA-N 551.394 5.364 70 10 KKIE O=S(=O)(OC1=CC=C2C=CC=C[C@H]2[C@H]1[C@@H]1C(OS(=O)(=O)C(F)(F)F)=CC=C2C=CC=C[C@@H]21)C(F)(F)F 212142111 RNNPLMQDNJCBLT-NFQUHZNNSA-N 554.486 5.083 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)CCc3ccc(Br)cc3)cc2)cc1 216642341 OTFSFUGUVASCSN-UHFFFAOYSA-N 525.399 5.486 70 10 KKIE Cc1ccc2nc(-c3ccc(NC(=O)Nc4ccc5c(c4)C(=O)N(C4CCCCC4)C5=O)cc3)sc2c1 217281395 BLBILPWUAKJURJ-UHFFFAOYSA-N 510.619 6.844 70 10 KKIE O[Si]1(C2CCCCC2)O[Si@@]2(C3CCCCC3)O[SiH](C3CCCCC3)O[Si@](C3CCCCC3)(O1)O[Si@@](O)(C1CCCCC1)O[SiH](C1CCCCC1)O[Si@](O)(C1CCCCC1)O2 1933216029 AJQWTUFQQHTVRM-GCRSBDFYSA-N 959.709 10.599 70 10 KKIE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(S(=O)(=O)F)c(C)c1NC(=O)OC(C)(C)C 1887515505 DWSWJDBWODRZDU-UHFFFAOYSA-N 623.747 6.375 70 10 KKIE O=S(=O)(Cl)c1cc(SSc2cc(S(=O)(=O)Cl)c3ccccc3c2)cc2ccccc12 100310546 VHXSSALQZFDSRT-UHFFFAOYSA-N 515.486 6.647 70 10 KKIE C[C@@H](NC(=O)c1cc(Br)ccc1I)c1ccccc1Br 217466349 XRGYYWSSCPCNJS-SECBINFHSA-N 508.979 5.307 70 10 KKIE C[C@H](CS(=O)(=O)Cl)c1c(I)cc(I)c(NC(=O)OC(C)(C)C)c1I 1952648505 RJKZXZZLNPONBM-SSDOTTSWSA-N 711.525 5.520 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)COc3ccc(Cl)cc3Cl)c2)cc1 216681285 RADAGDZGPYTLCX-UHFFFAOYSA-N 517.365 5.476 70 10 KKIE CCCCCCCCCCCCCCCCOc1ccc(C(=O)CC(=O)Nc2cccc(S(=O)(=O)F)c2)cc1S(=O)(=O)F 150391348 APAFUKDFUJIYBZ-UHFFFAOYSA-N 643.815 8.075 70 10 KKIE Cc1c(I)c(C)c([B-](F)(F)F)c(C)c1CNC(=O)OCC1c2ccccc2-c2ccccc21 1887515211 KYJPRCLFXLUNBF-UHFFFAOYSA-N 564.174 6.310 70 10 KKIE Cc1c(S)cc(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c(C)c1[B-](F)(F)F 1887520284 UXOKPIPEJSZCLK-UHFFFAOYSA-N 525.425 5.713 70 10 KKIE CN(C(=O)c1csc(S(=O)(=O)Cl)c1OCc1ccccc1)C1CC(OCc2ccccc2)C1 2100151346 AWYMGMBHGSCHMY-UHFFFAOYSA-N 506.045 5.074 70 10 KKIE Cc1c(S)cc([B-](F)(F)F)cc1CN1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887521991 VQDRZNVWQPPTOD-UHFFFAOYSA-N 511.398 5.405 70 10 KKIE COc1ccc(C(=O)C(n2nnc3ccccc32)=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 106059414 JZJQIFRLUZYSEU-UHFFFAOYSA-N 527.564 5.295 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)Cc2cccc(Br)c2)cc1 216665776 FCGIEIMASYXKMU-UHFFFAOYSA-N 511.372 5.096 70 10 KKIE C#Cc1cc(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c(C)c(S(=O)(=O)F)c1C 1887520624 SDAQRZAMQRKMAM-UHFFFAOYSA-N 532.637 5.010 70 10 KKIE Cc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc([B-](F)(F)F)c(C)c1C#C[Si](C)(C)C 1887520177 FVHAZSMXJHNMMZ-UHFFFAOYSA-N 520.456 6.625 70 10 KKIE Cc1c(C(=O)OC(C)(C)C)cc([B-](F)(F)F)cc1N(C)C(=O)OCC1c2ccccc2-c2ccccc21 1887522054 YXFQJZCTPLUSIX-UHFFFAOYSA-N 510.341 6.390 70 10 KKIE Cc1c(S)cc(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc1[B-](F)(F)F 1887521926 PZJZIXRFCXJMCE-UHFFFAOYSA-N 511.398 5.405 70 10 KKIE Cc1c(I)cc(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c(C)c1S(=O)(=O)F 1887515906 LIEZCBMRANYQNM-UHFFFAOYSA-N 634.511 5.633 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)/C=C/c2ccccc2Br)cc1 216668934 YSHQWHDHHPRBPW-DTQAZKPQSA-N 523.383 5.566 70 10 KKIE N#CC(C1=NC(=O)C(=C2C(=O)Nc3ccc(Br)cc32)S1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 2053621892 CMTRNTNUJGUWMQ-UHFFFAOYSA-N 608.457 5.474 70 10 KKIE Brc1ccc(-c2csc3ncnc(SCCCSc4ncnc5scc(-c6ccc(Br)cc6)c45)c23)cc1 160656934 UNDSRGZXMVQLKS-UHFFFAOYSA-N 686.545 9.830 70 10 KKIE Cc1c(CC(=O)OC(C)(C)C)cc(N(C)C(=O)OCC2c3ccccc3-c3ccccc32)cc1[B-](F)(F)F 1887520301 WCMJTULGFNRMCB-UHFFFAOYSA-N 524.368 6.319 70 10 KKIE C[C@H]1O[C@@H](OC(=N)C(Cl)(Cl)Cl)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 161314772 PXEXKKMRQLSGBP-LPVFLTEPSA-N 620.869 5.772 70 10 KKIE CC1(C)C[C@H](NC(=O)c2csc(S(=O)(=O)Cl)c2OCc2ccccc2)[C@H]1OCc1ccccc1 2156373740 JHIVOSIVCVMNNI-RBBKRZOGSA-N 520.072 5.368 70 10 KKIE Cc1sc2ncn(CCCn3cnc4sc(C)c(-c5ccc(Br)cc5)c4c3=O)c(=O)c2c1-c1ccc(Br)cc1 160657362 WKXYKNQNLRKEFI-UHFFFAOYSA-N 682.463 7.796 70 10 KKIE Cc1c(I)cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc1C[B-](F)(F)F 1887521963 SHSNTDCIVQPLQI-UHFFFAOYSA-N 605.227 6.600 70 10 KKIE Cc1c(C[B-](F)(F)F)cc(N=[N+]=[N-])cc1N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887507131 YODGSFDXLJHSMJ-UHFFFAOYSA-N 520.344 6.937 70 10 KKIE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)Cn1cnc2sc(C(=O)OCCc3ccccc3)c(C)c2c1=O 160657663 MSLYIYIPGKSDGA-UHFFFAOYSA-N 636.151 6.363 70 10 KKIE O=S(=O)(Cl)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 100121913 BXLIWKCKMHDVHE-UHFFFAOYSA-N 546.626 5.955 70 10 KKIE O=c1c2c(-c3ccc4c(c3)CCCC4)csc2ncn1Cc1ccccc1Cn1cnc2scc(-c3ccc4c(c3)CCCC4)c2c1=O 160539367 KUQBMUINNMQNRI-UHFFFAOYSA-N 666.872 8.418 70 10 KKIE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(S(=O)(=O)F)c(C)c1N=[N+]=[N-] 1887521277 UUIUOCWTXKUJCF-UHFFFAOYSA-N 549.628 5.970 70 10 KKIE CC=CC[Si]1(Cl)N(Cc2ccc(Br)cc2)[C@@H]2CCCC[C@H]2N1Cc1ccc(Br)cc1 2297749237 ZRWSDIWSVXXBNG-DNQXCXABSA-N 568.857 7.594 70 10 KKIE Cc1cc(C)cc(P=C2C=Cc3ccccc3C2=C2C(=Pc3cc(C)cc(C)c3)C=Cc3ccccc32)c1 2065331912 PJHQEPJWFUBBKX-UHFFFAOYSA-N 524.584 8.773 70 10 KKIE Cc1c(C#C[Si](C)(C)C)cc(OS(=O)(=O)F)cc1CN1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887521477 RTHSXTOJIFNVNQ-UHFFFAOYSA-N 606.792 5.884 70 10 KKIE CC(C)CCCCCCCCCCN(CCCCCCCCCCC(C)C)CCCC(=O)N(CCCCCCCCCCC(C)C)CCCCCCCCCCC(C)C 159852279 KURNOLPYTKTADH-UHFFFAOYSA-N 831.541 18.565 70 10 KKIE Cc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)c(C)c([B-](F)(F)F)c(C)c1N1CCN(C(=O)OC(C)(C)C)CC1 1887521504 VADLYBUASUSULI-UHFFFAOYSA-N 622.517 6.762 70 10 KKIE O=C(N/N=C(\c1ccc(Cl)cc1)c1ccc(OS(=O)(=O)C(F)(F)F)cc1)Nc1ccc(Cl)c(Cl)c1 1615946820 AXZYRZNINXBGKD-VUTHCHCSSA-N 566.772 6.449 70 10 KKIE Cc1ccc(C(c2ccccc2)(c2ccccc2)N(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](CC(N)=O)C(=O)Oc2c(F)c(F)c(F)c(F)c2F)cc1 575431801 WTWRTVWLXIZYGX-DHUJRADRSA-N 776.758 9.083 70 10 KKIE Cc1cc(I)ccc1NC(=O)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 217281220 NOZPLOSWNIJNOY-UHFFFAOYSA-N 503.340 5.172 70 10 KKIE CC(C)(C)OC(=O)Nc1c(I)cc(I)c(C(C)(C)S(=O)(=O)F)c1I 1952845298 RPXHHYLFEJNEGO-UHFFFAOYSA-N 695.070 5.382 70 10 KKIE C[C@H](Cc1c(I)cc(I)c(NC(=O)OC(C)(C)C)c1I)S(=O)(=O)F 1952848298 LZWUMJPYJLEPSA-SSDOTTSWSA-N 695.070 5.078 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)CCc3ccc(OCC)c(OC)c3)cc2)cc1 216635704 SBSSWHOCASMRAR-UHFFFAOYSA-N 520.582 5.131 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)c3ccccc3I)cc2)cc1 216624319 GXKZXNXJYXDXGY-UHFFFAOYSA-N 544.345 5.009 70 10 KKIE CCCN[C@@H](Cc1ccc(F)cc1Br)c1cc(Br)c(Br)s1 161308068 YOOAWURKNNLIBR-ZDUSSCGKSA-N 500.069 6.458 70 10 KKIE Cc1c(CN=[N+]=[N-])cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc1OS(=O)(=O)F 1887521737 HKUGKFJQXQPYPX-UHFFFAOYSA-N 551.600 5.470 70 10 KKIE Cc1c(CN2CCN(C(=O)OC(C)(C)C)CC2)cc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1OS(=O)(=O)F 1887522239 NBAWUOTVMVKHLA-UHFFFAOYSA-N 625.719 6.002 70 10 KKIE Cc1c(CN2CCNCC2)c(C)c(S(=O)(=O)F)c(C)c1NC(=O)OCC1c2ccccc2-c2ccccc21 1887517747 DNJXBWDGRBXODZ-UHFFFAOYSA-N 537.657 5.036 70 10 KKIE Cc1c(OS(=O)(=O)F)cc(CN=[N+]=[N-])cc1N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887521994 VRSGCYFRLNAGGR-UHFFFAOYSA-N 551.600 5.470 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)c2ccccc2I)cc1 216650040 ZTJMASJIUKPJGK-UHFFFAOYSA-N 544.345 5.009 70 10 KKIE CCC(C)(C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@H](C)[C@H](CC[C@H](C[C@H](CC(=O)On3nnc4cccnc43)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H]21 504256368 JENQVTPDGXSWAX-YXULREHBSA-N 783.216 9.875 70 10 KKIE CN(CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Oc1c(F)c(F)c(F)c(F)c1F)C(=O)OC(C)(C)C 1073304790 FVXUBRJUBXIUDN-OAQYLSRUSA-N 620.571 6.452 70 10 KKIE c1ccc(B2N(c3ccccc3)B(c3ccccc3)N(c3ccccc3)B(c3ccccc3)N2c2ccccc2)cc1 196465965 XTKHGXVXAPNGEV-UHFFFAOYSA-N 537.093 5.706 70 10 KKIE Cc1c(C#C[Si](C)(C)C)cc(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc1OS(=O)(=O)F 1887521417 LCOBBMAWOBDFOL-UHFFFAOYSA-N 606.792 5.884 70 10 KKIE CN(C(=O)c1csc(S(=O)(=O)Cl)c1OCc1ccccc1)[C@@H]1CC[C@H]1OCc1ccccc1 2100153268 QNSVOSOKXMJLNL-NHCUHLMSSA-N 506.045 5.074 70 10 KKIE CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@]4(SCC[S@]4=O)[C@H]4C[C@@H](I)CC[C@]4(C)[C@H]3CC[C@@]21C 95818282 LSSLSBIZVIBQQG-UGBKJBGMSA-N 604.748 8.713 70 10 KKIE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)CSc1nc2scc(-c3ccc4c(c3)CCCC4)c2c(=O)[nH]1 160800420 ONNVKWMCLPNZNU-UHFFFAOYSA-N 636.220 7.820 70 10 KKIE N[C@H]1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@H]1OCc1ccccc1 216746481 DYDAVEMWGWFNJE-ZJKZPDEISA-N 539.672 5.643 70 10 KKIE C=C(C)[C@@H]1CC[C@]2(C(=O)OCc3ccccc3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(OS(=O)(=O)C(F)(F)F)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 642771860 LONIAVLTQYVYQE-SSVRXCMJSA-N 676.882 9.747 70 10 KKIE O=[N+]([O-])c1ccc(NN=CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)S(=O)(=O)F)c([N+](=O)[O-])c1 1081815587 YDXNEEHNOWATFO-UHFFFAOYSA-N 622.272 5.291 70 10 KKIE Cc1c(N=[N+]=[N-])cc(CS(=O)(=O)F)cc1N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887520911 DWJKVRWBMZJFNH-UHFFFAOYSA-N 535.601 5.807 70 10 KKIE Cc1cc(Br)c([C@H](N)c2cc(Br)ccc2Br)cc1Br 159894525 YZNCIKLNKGYLQT-CQSZACIVSA-N 512.865 6.093 70 10 KKIE CC(C)(C)OC(=O)Nc1cc(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc([B-](F)(F)F)c1 1887515995 XFMXCOGYWYPGLE-UHFFFAOYSA-N 580.436 6.155 70 10 KKIE Cc1cc(Br)c([C@@H](N)c2cc(Br)ccc2Br)cc1Br 159894641 YZNCIKLNKGYLQT-AWEZNQCLSA-N 512.865 6.093 70 10 KKIE C[C@@H]1O[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 218343794 RLJCRSFLYYQNAK-NOWXRGTISA-N 580.589 5.265 70 10 KKIE CC(C)(C)c1ccc(/C=C2/SC(=O)N(CCNC(=O)COC(=O)c3c4c(nc5ccccc35)/C(=C\c3c(F)cccc3Cl)CC4)C2=O)cc1 159425729 LYBCVFCJPAVNDT-SXNZFHQQSA-N 698.216 7.821 70 10 KKIE C=C(C)[C@@H]1CC[C@]2(C=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(OS(=O)(=O)C(F)(F)F)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 575629573 RJICCGAYPNRWSE-CNRMHUMKSA-N 570.758 8.203 70 10 KKIE CCCN[C@H](c1cc(Cl)c(Br)s1)c1cc(Br)ccc1Br 159889658 GNGJRUPGWGHARM-ZDUSSCGKSA-N 502.497 6.778 70 10 KKIE Cc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc(OS(=O)(=O)F)c(C)c1C#C[Si](C)(C)C 1887521269 SDNAIGXLCYBXNM-UHFFFAOYSA-N 551.712 6.164 70 10 KKIE Cc1c(C)c(-c2ccc(-c3ccccc3)cc2)c(C)c(C)c1B(c1c(C)c(C)c(-c2ccc(-c3ccccc3)cc2)c(C)c1C)c1c(C)c(C)c(-c2ccc(-c3ccccc3)cc2)c(C)c1C 197123144 APSZPLYVGCNUMZ-UHFFFAOYSA-N 867.042 15.906 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)[C@@H](C)Oc3ccccc3C(C)C)c2)cc1 216680849 RTHOOAYRCUGTIQ-HXUWFJFHSA-N 504.583 5.681 70 10 KKIE CCCCCCCCCCCCCCCCCC[Si](Cl)(Cl)C[Si](Cl)(Cl)Cl 217405617 WELGWBDVKWJDFP-UHFFFAOYSA-N 500.958 10.362 70 10 KKIE Cc1c(C[B-](F)(F)F)cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc1N=[N+]=[N-] 1887520663 YCBONCFOAMUGQS-UHFFFAOYSA-N 520.344 6.937 70 10 KKIE CC1(C)C[C@H](NC(=O)c2csc(S(=O)(=O)Cl)c2OCc2ccccc2)[C@@H]1OCc1ccccc1 2156373741 JHIVOSIVCVMNNI-UNMCSNQZSA-N 520.072 5.368 70 10 KKIE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)Cn1cnc2sc(C)c(-c3ccc(Br)cc3)c2c1=O 160520387 MPTWLJDAMSEZKV-UHFFFAOYSA-N 642.984 7.393 70 10 KKIE CC1(C)Cc2cc(/C(=N/NC(=O)c3ccc(Cl)cc3)c3ccc(OS(=O)(=O)C(F)(F)F)cc3)ccc2O1 1616046364 JJRUGUQRJYJSBO-JBASAIQMSA-N 552.958 5.464 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)CCCOc3c(C)cccc3C)cc2)cc1 216630886 OWPAQCCFEUSAQZ-UHFFFAOYSA-N 504.583 5.566 70 10 KKIE O=C(c1csc(S(=O)(=O)Cl)c1OCc1ccccc1)N1CCC(OCc2ccccc2)CC1 2100128691 YKGWQFPLOKCQKD-UHFFFAOYSA-N 506.045 5.076 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)/C=C/c2cccc(Br)c2)cc1 216669633 YZAHEMYIJWMSNC-XNTDXEJSSA-N 523.383 5.566 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)/C=C/c3ccc(Br)cc3)cc2)cc1 216644957 IIKNCUWMZQENJG-FRKPEAEDSA-N 523.383 5.566 70 10 KKIE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc([B-](F)(F)F)c(C)c1NC(=O)OC(C)(C)C 1887515839 DEXWCIWRXRVTEB-UHFFFAOYSA-N 608.490 6.772 70 10 KKIE Cc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)c(C)c(B2OC(C)(C)C(C)(C)O2)c(C)c1OS(=O)(=O)F 1887579175 YWPZADULJQLXMW-UHFFFAOYSA-N 595.498 5.543 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)Cc3ccccc3Br)cc2)cc1 216639537 ZKVKMPBAJCNMSN-UHFFFAOYSA-N 511.372 5.096 70 10 KKIE C=C(C)[C@H]1CC[C@]2(C(=O)OCc3ccccc3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(OS(=O)(=O)C(F)(F)F)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 642771865 LONIAVLTQYVYQE-XABLQUTKSA-N 676.882 9.747 70 10 KKIE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(OS(=O)(=O)F)c(C)c1S 1887520283 UQVNEZIPRFGNKW-UHFFFAOYSA-N 556.681 5.252 70 10 KKIE C#Cc1cc(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c(C)c([B-](F)(F)F)c1 1887522361 WTSHCZDPDHKGOU-UHFFFAOYSA-N 503.353 5.097 70 10 KKIE CC[C@]12CC[C@H]3[C@H]4CCC(OS(=O)(=O)C(F)(F)F)=CC4=CC[C@H]3[C@H]1CC[C@]2(C#C[Si](C)(C)C)O[Si](C)(C)C 575232250 PKVFWHJJSGHKTN-GGSNJDJHSA-N 588.881 7.780 70 10 KKIE in-vitro O=C(CCOCCN(CCOCCC(=O)Oc1c(F)c(F)c(F)c(F)c1F)CCOCCC(=O)Oc1c(F)c(F)c(F)c(F)c1F)Oc1c(F)c(F)c(F)c(F)c1F 150338810 AXNGLNCLUJYQDU-UHFFFAOYSA-N 863.523 6.412 70 10 KKIE CC1=NN(c2ccccc2)C(=O)[C@@H]1N=Nc1c(OC(=O)c2ccccc2)cc(S(=O)(=O)Cl)c2ccccc12 255967427 COOWXSUBTWEXRC-XMMPIXPASA-N 546.992 5.862 70 10 KKIE CC(C)[C@H](COc1c(Br)cc(Br)cc1Br)CS(=O)(=O)Cl 115569835 ITOAORYQOLCPJM-MRVPVSSYSA-N 513.473 5.194 70 10 KKIE CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)C=P(c5ccccc5)(c5ccccc5)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C 195528624 PYTCAENODXRHIH-KNQTUXPGSA-N 688.977 11.024 70 10 KKIE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)CSc1ncnc2scc(-c3ccc(Br)cc3)c12 160530760 TVLRUHXEFUVHRI-UHFFFAOYSA-N 645.025 8.410 70 10 KKIE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc([B-](F)(F)F)c(C)c1N 1887520971 IWZLPXICNWGVIJ-UHFFFAOYSA-N 508.373 5.007 70 10 KKIE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccccc1S(=O)(=O)F 2124731767 WIJYGDIXTDXZBP-GKVSMKOHSA-N 510.587 5.237 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)COc3ccc(C)cc3C(C)(C)C)c2)cc1 216680403 PHOPVEUADXLCHJ-UHFFFAOYSA-N 518.610 5.775 70 10 KKIE Cc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc([B-](F)(F)F)c(C)c1I 1887515501 DEFIIQZGIPCEPN-UHFFFAOYSA-N 550.147 6.001 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)CCc2ccccc2Br)cc1 216666755 OLKOVZIHVJBDIH-UHFFFAOYSA-N 525.399 5.486 70 10 KKIE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc([B-](F)(F)F)c(C)c1S 1887520225 LVDBTLHALOKQFP-UHFFFAOYSA-N 525.425 5.713 70 10 KKIE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(OS(=O)(=O)F)c(C)c1N=[N+]=[N-] 1887520262 RKSCMKVWCLGMDB-UHFFFAOYSA-N 565.627 5.905 70 10 KKIE O[Si@@]1(C2CCCCC2)O[Si@H](C2CCCCC2)O[Si@](O)(C2CCCCC2)O[Si@@]2(C3CCCCC3)O[Si@H](C3CCCCC3)O[Si@@](C3CCCCC3)(O1)O[Si@](O)(C1CCCCC1)O2 1933216030 AJQWTUFQQHTVRM-IVCPEYMFSA-N 959.709 10.599 70 10 KKIE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(B2OC(C)(C)C(C)(C)O2)c(C)c1OS(=O)(=O)F 1887517755 GCZFAEZNFDHNLQ-UHFFFAOYSA-N 650.578 5.262 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)c2)cc1 216681203 ICHATYLLKKPGBH-HXUWFJFHSA-N 504.583 5.681 70 10 KKIE CC(C)(C)c1ccc(OCCCC(=O)Nc2ccccc2CNC(=O)C(F)(F)F)c(Br)c1 216814967 SSIDYTBTQMBLMB-UHFFFAOYSA-N 515.370 5.723 70 10 KKIE [N-]=[N+]=Nc1cc(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(S(=O)(=O)F)c1 1887520299 WBSNJVKVNZAONO-UHFFFAOYSA-N 521.574 5.353 70 10 KKIE Cc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc(C#C[Si](C)(C)C)cc1[B-](F)(F)F 1887521981 VEUMXMCHNYLNMW-UHFFFAOYSA-N 506.429 6.317 70 10 KKIE O=C(NC1(CCOCc2ccccc2)CC1)c1csc(S(=O)(=O)Cl)c1OCc1ccccc1 2100135439 UWNZOPOLVHNXBB-UHFFFAOYSA-N 506.045 5.124 70 10 KKIE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccccc1S(=O)(=O)F 2269526400 IDQCZXSOLLFHFS-XMMPIXPASA-N 510.587 5.237 70 10 KKIE CC(C)CCCCCCCCCCB(CCCCCCCCCCC(C)C)CCCCCCCCCCC(C)C 204855726 CFPUMRFPWVCWAZ-UHFFFAOYSA-N 560.889 14.982 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)Cc3ccc(Br)cc3)c2)cc1 216690635 JGIGPBRERYYIFT-UHFFFAOYSA-N 511.372 5.096 70 10 KKIE CC(C)(C)OC(=O)N1CCC(NC(=O)NCCCOc2ccc(C(C)(C)C)cc2Br)CC1 217298809 UQNBKBYUNOYHKP-UHFFFAOYSA-N 512.489 5.214 70 10 KKIE Cc1c(I)c(C)c(N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1C[B-](F)(F)F 1887517834 LBXNDOCRSMDDQV-UHFFFAOYSA-N 511.155 5.203 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)CCCOc3ccc(C(C)(C)C)cc3)c2)cc1 216681395 DTGUVJINSSYZRY-UHFFFAOYSA-N 532.637 6.247 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)/C=C/c2ccc(Br)cc2)cc1 216670300 ZUSMNEFUOZQYST-CXUHLZMHSA-N 523.383 5.566 70 10 KKIE COc1ccc(C(NCCOCCOCCOCCOCCC(=O)Oc2c(F)c(F)c(F)c(F)c2F)(c2ccccc2)c2ccccc2)cc1 159983801 QNXPIRMZGDGJHR-UHFFFAOYSA-N 703.701 6.334 70 10 KKIE CC(C)OP(=O)(OC(C)C)C(N=Nc1ccc([N+](=O)[O-])cc1)=P(C1=COCC1)(c1ccccc1)c1ccccc1 254406018 AIDLKHBAJLAPAI-UHFFFAOYSA-N 581.546 7.739 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)COc2ccc(Cl)cc2Cl)cc1 216656290 IDMJBDRJSBJIDC-UHFFFAOYSA-N 517.365 5.476 70 10 KKIE Cc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)c(C)c([B-](F)(F)F)c(C)c1N1CCNCC1 1887515730 NJNMHZFFUWGULE-UHFFFAOYSA-N 522.400 5.115 70 10 KKIE C#Cc1cc(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc([B-](F)(F)F)c1C 1887522304 RYHPGKOGZIXQDQ-UHFFFAOYSA-N 503.353 5.097 70 10 KKIE O=C(N[C@@H](Cc1cncn1C(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Oc1c(F)c(F)c(F)c(F)c1F)OCC1c2ccccc2-c2ccccc21 150338963 KYQPTHXRCNMRQN-XIFFEERXSA-N 765.691 8.431 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)Cc3cccc(Br)c3)c2)cc1 216690227 CXEZKJFLGHUWFL-UHFFFAOYSA-N 511.372 5.096 70 10 KKIE C#Cc1cc(C[B-](F)(F)F)c(C)c(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c1 1887522120 DGUCHDFMZZTEEE-UHFFFAOYSA-N 503.353 5.977 70 10 KKIE Cc1c(NC(=O)OCC2c3ccccc3-c3ccccc32)cc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1[B-](F)(F)F 1887522209 KOLUHGHRYFBHDJ-UHFFFAOYSA-N 594.463 6.463 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)Cc3cccc(Br)c3)c2)cc1 216690154 CHGHALMRPUFWES-UHFFFAOYSA-N 511.372 5.096 70 10 KKIE C[C@H](CCCI)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](OC=O)C[C@H]1C[C@H]3OC=O 135614914 WNHHOJCQNCLKCO-WLZWUTLSSA-N 544.514 6.190 70 10 KKIE in-vitro C[C@H](F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[Si](C)(C)O[SiH](C)O[Si](C)(C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@H](C)F 585660886 FJLJHWHXWLPXHW-IUCAKERBSA-N 686.599 8.157 70 10 KKIE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(OS(=O)(=O)F)c(C)c1B1OC(C)(C)C(C)(C)O1 1887579210 GSXUUMYYXLDKHB-UHFFFAOYSA-N 650.578 5.262 70 10 KKIE CC(C)(C)OC(=O)Nc1c(I)cc(I)c(C=CS(=O)(=O)Cl)c1I 1952299659 ZHDCTZPMYVQPKE-UHFFFAOYSA-N 695.482 5.387 70 10 KKIE CCOC(=O)c1cc(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C\c2c(F)cccc2Cl)CCC3)cc(C(=O)OCC)c1 159456166 GDXQYKLGMCWMFV-ZZEZOPTASA-N 645.083 7.053 70 10 KKIE C[SiH](C)[C@]1(n2cnc3c(N)nc(Nc4ccccc4)nc32)O[C@H](COC(C)(C)C)[C@H](OC(C)(C)C)[C@H]1OC(C)(C)C 888085989 PYJOVDPNUNHBEP-DQVREFFXSA-N 584.838 5.412 70 10 KKIE CCOC(=O)C(C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 198009298 XYEHIAZDOXMEER-QNGWXLTQSA-N 668.730 6.304 70 10 KKIE CCCCCCCCOc1ccc(NS(=O)(=O)c2cc(C(C)(C)CC(C)(C)C)ccc2OCCCCCCCC)cc1S(=O)(=O)Cl 79093417 RHBKBXGCPHWXSZ-UHFFFAOYSA-N 700.448 10.607 70 10 KKIE CCCN[C@@H](Cc1cc(F)ccc1Br)c1cc(Br)c(Br)s1 161480818 RYDYZXXTQLBDAU-ZDUSSCGKSA-N 500.069 6.458 70 10 KKIE Cc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc(C#C[Si](C)(C)C)cc1OS(=O)(=O)F 1887520862 CBUDIDSCENSCKA-UHFFFAOYSA-N 537.685 5.856 70 10 KKIE Cc1c(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)Oc2c(F)c(F)c(F)c(F)c2F)c(C)c2c1OC(C)(C)CC2 150339029 WMUBZSPLEATQKR-LJAQVGFWSA-N 828.857 7.507 70 10 KKIE Cc1c(OS(=O)(=O)F)cc(C(=O)OC(C)(C)C)cc1N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887520812 GSVTXNVCWCGZJR-UHFFFAOYSA-N 596.677 5.615 70 10 KKIE COc1cc(C[C@H]2c3cc(OC)c(OC)c(O)c3CCN2C)c(Oc2cc3c(cc2OC)-c2c(OC)c(OC)c(OC)c4c2[C@H](C3)N(C)CC4)cc1OC 160259777 NKUARQOCOZDNAS-VMPREFPWSA-N 742.866 6.777 70 10 KKIE COc1ccc(C(OC[C@@H]2O[C@](n3cnc4c(N)ncnc43)([SiH](C)C)[C@H](O)[C@@H]2OC(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 1615266020 ZFNXIXBGNIGFBB-LLAOUBBZSA-N 683.882 5.057 70 10 KKIE CN[C@@H](c1cc(Br)ccc1Br)c1cc(Br)c(C)cc1Br 159895046 AGZYSUZCRDDUGO-HNNXBMFYSA-N 526.892 6.354 70 10 KKIE Cc1c(C)c2c(c(COCCC[Si](C)(C)Cl)c1O)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 725411374 GDPHFGRNFJOFEF-TVMHKENRSA-N 581.398 10.882 70 10 KKIE C[SiH](C)c1cc(C(C)(C)C)cc2c1Oc1c(P(c3ccccc3)c3ccccc3)cc(C(C)(C)C)cc1C2(C)C 642814289 VBNDZBMFKJDQIP-UHFFFAOYSA-N 564.826 8.165 70 10 KKIE COc1cc(Br)ccc1C(=O)Nc1c(I)cc(I)cc1I 160670761 DMMMVNQJNSOGGS-UHFFFAOYSA-N 683.847 5.524 70 10 KKIE CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)C=P(c5ccccc5)(c5ccccc5)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C 2042449614 PYTCAENODXRHIH-OESFIUNVSA-N 688.977 11.024 70 10 KKIE CC(C)=C[SiH2]O[Si](O[SiH2]C=C(C)C)(O[Si](O[SiH2]C=C(C)C)(O[SiH2]C=C(C)C)C1CCCCC1)C1CCCCC1 204894249 WSIJOPGLOXQMPJ-UHFFFAOYSA-N 643.283 5.646 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)/C=C/c3cccc(Br)c3)c2)cc1 216694086 FFDGSPRRIUHSHP-NTEUORMPSA-N 523.383 5.566 70 10 KKIE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(N=[N+]=[N-])cc1S(=O)(=O)F 1887520937 HIDOGIXFMYSOCZ-UHFFFAOYSA-N 535.601 5.662 70 10 KKIE CC(C)(C)OC(=O)n1cnc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)Oc2c(F)c(F)c(F)c(F)c2F)c1 150339066 LRGNPXMUMGUURS-QFIPXVFZSA-N 643.565 6.417 70 10 KKIE COCCCN1C(=O)c2ccc(NC(=O)Nc3ccc(-c4nc5ccc(C)cc5s4)cc3)cc2C1=O 217280981 DWQVIDVIQFZNSH-UHFFFAOYSA-N 500.580 5.548 70 10 KKIE Cc1c(CC(=O)OC(C)(C)C)cc([B-](F)(F)F)cc1N(C)C(=O)OCC1c2ccccc2-c2ccccc21 1887520317 XZJLRQJCSDLNCN-UHFFFAOYSA-N 524.368 6.319 70 10 KKIE CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCCOC(=O)CCCc1ccc(N(CCCl)CCCl)cc1 111394393 VUFNLQXQSDUXKB-DOFZRALJSA-N 634.729 9.525 70 10 KKIE C#Cc1cc(C[B-](F)(F)F)cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c1C 1887522338 VMGQMJGXHARMJR-UHFFFAOYSA-N 503.353 5.977 70 10 KKIE Cc1cc(Br)c(S(=O)(=O)Nc2ccc(I)cc2C)cc1Br 159600584 DBBYQHFYYIIWOW-UHFFFAOYSA-N 545.034 5.234 70 10 KKIE [N-]=[N+]=NCc1cc(OS(=O)(=O)F)cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c1 1887510953 GSTNVGWVPHNLFY-UHFFFAOYSA-N 537.573 5.161 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)c3ccccc3I)c2)cc1 216675155 OIGUWIWPKKDHON-UHFFFAOYSA-N 544.345 5.009 70 10 KKIE O=C(CCCC[C@@H]1SC[C@@H]2[C@H]1N(Cc1ccccc1)C(=O)N2Cc1ccccc1)OCc1ccccc1 218283354 KIFRMIBSNWFWPZ-OYKXOOMRSA-N 514.691 6.281 70 10 KKIE CC1(C)[C@@H](NC(=O)c2csc(S(=O)(=O)Cl)c2OCc2ccccc2)C[C@H]1OCc1ccccc1 2156360471 FRENFAHXLKMCPO-LEWJYISDSA-N 520.072 5.368 70 10 KKIE Cc1c(NC(=O)OCC2c3ccccc3-c3ccccc32)cc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1OS(=O)(=O)F 1887522307 SCIPNCYEYGLAMV-UHFFFAOYSA-N 625.719 6.002 70 10 KKIE CC(C)(C)OC(=O)Nc1cc(I)cc(C(=O)N2CC[C@@H]3C[C@@]3([B-](F)(F)F)C2)c1 2194133112 NWCLEPOVUYMUCB-KZULUSFZSA-N 509.095 5.092 70 10 KKIE N#CC(C1=NC(=O)C(=Cc2c(F)cccc2Cl)S1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 2293556324 ABQNRQRFPLCBNC-UHFFFAOYSA-N 540.987 6.182 70 10 KKIE Cc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc(N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1OS(=O)(=O)F 1887578968 ZAHSVFHOVUJREX-UHFFFAOYSA-N 639.746 5.992 70 10 KKIE O=C(CCCC[C@@H]1SC[C@H]2[C@H]1N(Cc1ccccc1)C(=O)N2Cc1ccccc1)OCc1ccccc1 218283372 KIFRMIBSNWFWPZ-TWLDFKIOSA-N 514.691 6.281 70 10 KKIE CC(C(=O)c1c(-c2ccccc2)nc2n(C)c3ccccc3n12)=P(c1ccccc1)(c1ccccc1)c1ccccc1 104194129 YEKJKPMWKMNGFF-UHFFFAOYSA-N 563.641 6.862 70 10 KKIE CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1cc(CC(=O)OC(C)(C)C)cc([B-](F)(F)F)c1 1887561407 YMAYMFMNLYQPJH-UHFFFAOYSA-N 510.341 6.011 70 10 KKIE O=S(=O)(Cl)c1cc(Br)cc(Cl)c1OCc1ccc(I)cc1 115900905 VAAXGVPNIWLXFN-UHFFFAOYSA-N 521.985 5.214 70 10 KKIE Cc1c(CN2CCN(C(=O)OC(C)(C)C)CC2)cc([B-](F)(F)F)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 1887522231 MPHNOPZGGWNLJX-UHFFFAOYSA-N 594.463 6.463 70 10 KKIE C[C@H](c1c(I)cc(I)c(NC(=O)OC(C)(C)C)c1I)S(=O)(=O)Cl 1952646097 JCYFNIDGFWLDCQ-ZCFIWIBFSA-N 697.498 5.477 70 10 KKIE O=S(=O)(O[C@H]1[C@@H](COCc2ccccc2)O[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)C(F)(F)F 77273127 ZZAHKHYZOOLOLW-BWNLSPMZSA-N 672.718 6.551 70 10 KKIE in-vitro CCOC(=O)c1c(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C\c2c(F)cccc2Cl)CC3)sc(C)c1-c1ccc(C)cc1 159442692 HTKJTJDXWVAYCP-NKFKGCMQSA-N 669.174 8.832 70 10 KKIE FC(F)(CC[Si](Cl)(Cl)Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Si](Cl)(Cl)Cl 196951867 KMVNRUGIHDERJS-UHFFFAOYSA-N 625.040 8.889 70 10 KKIE COc1ccccc1N1CCN(C(=O)NCCCOc2ccc(C(C)(C)C)cc2Br)CC1 217298685 BFCFQIHWMIUEBE-UHFFFAOYSA-N 504.469 5.056 70 10 KKIE CC(C)(C)OC(=O)Nc1c(Br)cc(Br)cc1[C@H](CS(=O)(=O)Cl)C1CC1 1952684066 DOUZZXHGSUXODW-GFCCVEGCSA-N 517.667 5.621 70 10 KKIE C[C@@H](F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[Si](C)(C)O[SiH](C)O[Si](C)(C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@H](C)F 585660888 FJLJHWHXWLPXHW-RKDXNWHRSA-N 686.599 8.157 70 10 KKIE CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](CCI)C4=C(CC[C@H](O)C4)[C@H]3CC[C@@]21C 31541554 MPBUQXGMQDVOIR-CVJVVXCOSA-N 526.587 8.194 70 10 KKIE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc([B-](F)(F)F)c(C)c1OS(=O)(=O)F 1887561386 SVAUSPYUWSUAKH-UHFFFAOYSA-N 591.412 5.018 70 10 KKIE Cc1c(B2OC(C)(C)C(C)(C)O2)cc(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc1S(=O)(=O)F 1887508013 YYWYUUDXXKDCSD-UHFFFAOYSA-N 620.552 5.019 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)c2)cc1 216681245 XBSOCHQIOCRXQV-HXUWFJFHSA-N 504.583 5.681 70 10 KKIE O=c1c2c(-c3ccc(Br)cc3)csc2ncn1CCCn1cnc2scc(-c3ccc(Br)cc3)c2c1=O 160657153 BIKCZKFNEDLDIO-UHFFFAOYSA-N 654.409 7.179 70 10 KKIE O=C(N/N=C(\c1ccc(Cl)cc1)c1ccc(OS(=O)(=O)C(F)(F)F)cc1)Nc1ccc(F)cc1 1615951259 QLVDQCAADIQHAM-TURZUDJPSA-N 515.872 5.282 70 10 KKIE Cc1c(CS(=O)(=O)F)c(C)c(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c(C)c1OS(=O)(=O)F 1887515390 NLIXTYVPFHHGFI-UHFFFAOYSA-N 620.696 5.075 70 10 KKIE CCOc1cc(NC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc(OCC)c1OCC 217274356 KCLJRLZWNSNOLB-UHFFFAOYSA-N 503.643 5.822 70 10 KKIE CC[C@]12CC[C@@H]3[C@H]4CCC(OS(=O)(=O)C(F)(F)F)=CC4=CC[C@H]3[C@@H]1CC[C@]2(C#C[Si](C)(C)C)O[Si](C)(C)C 1848354693 PKVFWHJJSGHKTN-YECVLQETSA-N 588.881 7.780 70 10 KKIE CC(C)(C)c1ccc(OCCCNC(=O)Nc2ccccc2Sc2ccccc2)c(Br)c1 217298526 AUWFWMKKEJJVHN-UHFFFAOYSA-N 513.501 7.488 70 10 KKIE Cc1cccc(N2CCN(C(=O)NCCCOc3ccc(C(C)(C)C)cc3Br)CC2)c1C 217298723 VYVIEXSSCANUJU-UHFFFAOYSA-N 502.497 5.664 70 10 KKIE C[C@@]12CCCc3cc(OS(=O)(=O)C(F)(F)F)ccc3[C@@]1(Cc1ccccc1)CC[C@@](O)(C(F)(F)F)C2 1857787792 WBZOKQPMXWFKIJ-VABKMULXSA-N 536.534 6.215 70 10 KKIE CC(C)(C)OC(=O)Nc1cc(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc(OS(=O)(=O)F)c1 1887520451 QEMMELIHTGPHSD-UHFFFAOYSA-N 542.585 5.665 70 10 KKIE Cc1cc(Br)c(S(=O)(=O)Nc2ccc(Br)cc2Br)cc1Br 159594521 RBNDFTLXHFNDOJ-UHFFFAOYSA-N 562.903 5.846 70 10 KKIE C[C@@H](c1c(I)cc(I)c(NC(=O)OC(C)(C)C)c1I)S(=O)(=O)F 1952737071 HMSFJSVKVQJYNQ-LURJTMIESA-N 681.043 5.208 70 10 KKIE CC1=NN(c2ccc([N+](=O)[O-])cc2)[C@](C)(C(/N=N/c2ccccc2)=P(c2ccccc2)(c2ccccc2)c2ccccc2)O1 105472737 QVYRVFXPKDIWDR-HDSOFWPQSA-N 599.631 7.389 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)Cc2cccc(Br)c2)cc1 216665714 BBCPMHXJKVLEOV-UHFFFAOYSA-N 511.372 5.096 70 10 KKIE CC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(NC(=O)C(F)(F)F)cc2)c(Br)c1 216756153 OMHRSTOWRBUZBO-UHFFFAOYSA-N 501.343 6.045 70 10 KKIE Cc1c(CN2CCN(C(=O)OC(C)(C)C)CC2)cc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1S(=O)(=O)F 1887521488 SUOFGENBFHCDDN-UHFFFAOYSA-N 609.720 6.067 70 10 KKIE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(S)cc1[B-](F)(F)F 1887521893 NFONQAMCWMDDDN-UHFFFAOYSA-N 511.398 5.405 70 10 KKIE COc1ccc(C(NCCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)Oc2c(F)c(F)c(F)c(F)c2F)(c2ccccc2)c2ccccc2)cc1 2037924029 UVYYVGROLNAODX-KXQOOQHDSA-N 806.828 9.955 70 10 KKIE CC1=NN(c2ccc([N+](=O)[O-])cc2)[C@@](C)(C(/N=N/c2ccccc2)=P(c2ccccc2)(c2ccccc2)c2ccccc2)O1 105472732 QVYRVFXPKDIWDR-MUQIELDXSA-N 599.631 7.389 70 10 KKIE CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@]4(SCC[S@@]4=O)[C@H]4C[C@@H](I)CC[C@]4(C)[C@H]3CC[C@@]21C 95818281 LSSLSBIZVIBQQG-PGPVFAOBSA-N 604.748 8.713 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2)cc1 216630568 IRGKHKAHBDTSHX-UHFFFAOYSA-N 517.365 5.476 70 10 KKIE O=C(N=C(C(=O)N1CCOCC1)C(c1ccccc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 2297515825 BOBADWLRXPNNTH-UHFFFAOYSA-N 596.667 5.341 70 10 KKIE O=C(COc1c(Br)cc(Br)cc1Br)Nc1cccc(Oc2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)c1 159732927 NVBXPJYTIGAHTD-LJQANCHMSA-N 709.185 6.559 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)CCc2ccc(OCC)c(OC)c2)cc1 216661434 GVSGCEWQHCAVAC-UHFFFAOYSA-N 520.582 5.131 70 10 KKIE Cc1cc(Br)c(S(=O)(=O)Nc2ccc(I)cc2Cl)cc1Br 159559504 HCVWZDLMNMBTQB-UHFFFAOYSA-N 565.452 5.579 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)COc3cc(C)c(Cl)c(C)c3)cc2)cc1 216629191 LXLUTDHJVVPYAD-UHFFFAOYSA-N 510.974 5.440 70 10 KKIE Cc1c(CS(=O)(=O)F)c(C)c(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c(C)c1B1OC(C)(C)C(C)(C)O1 1887504696 XYRVKXOBJOXFGO-UHFFFAOYSA-N 648.606 5.781 70 10 KKIE C[C@@H](CS(=O)(=O)Cl)c1c(I)cc(I)c(NC(=O)OC(C)(C)C)c1I 1952648506 RJKZXZZLNPONBM-ZETCQYMHSA-N 711.525 5.520 70 10 KKIE C#Cc1c(C)c(C[B-](F)(F)F)c(C)c(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c1C 1887511357 ZRTDZCOVEOUOFG-UHFFFAOYSA-N 531.407 6.593 70 10 KKIE Cc1c(CN2CCN(C(=O)OC(C)(C)C)CC2)cc(S(=O)(=O)F)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 1887521385 IBAPOAWSKIPHFM-UHFFFAOYSA-N 609.720 6.067 70 10 KKIE Cc1c(C(=O)OCCc2ccccc2)sc2ncn(CCn3cnc4sc(C(=O)OCCc5ccccc5)c(C)c4c3=O)c(=O)c12 160657816 CZQLOBCTDPMIJO-UHFFFAOYSA-N 654.770 5.345 70 10 KKIE CC(C)(C)OC(=O)c1cc(OS(=O)(=O)F)cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c1 1887515580 ONGRDIYLMANRCK-UHFFFAOYSA-N 582.650 5.306 70 10 KKIE Cc1c(NC(=O)OC(C)(C)C)cc(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc1S(=O)(=O)F 1887506937 NAORSRBOQABHAJ-UHFFFAOYSA-N 609.720 6.067 70 10 KKIE CCCCCCCCCCCCCCCC(=O)Nc1cc([N+](=O)[O-])ccc1[P+]([O-])=C(O)C[N+](C)(C)C 100369969 UEBRSLYHMSPTTI-UHFFFAOYSA-O 524.663 5.606 70 10 KKIE CC1=C(OS(=O)(=O)C(F)(F)F)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C 218848340 YOIMFEXPXGPPAD-NVXWUHKLSA-N 504.760 6.701 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)CCc3ccccc3Br)c2)cc1 216691338 JKLSNCFAWXGDBT-UHFFFAOYSA-N 525.399 5.486 70 10 KKIE O=C1N=C(c2ccccc2)N=C(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)C1=P(c1ccccc1)(c1ccccc1)c1ccccc1 584905934 AQCFLMYXTDSACL-UHFFFAOYSA-N 707.754 7.716 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)/C=C/c2ccccc2Br)cc1 216669001 YWTXEDFIJHHJBP-DTQAZKPQSA-N 523.383 5.566 70 10 KKIE CC(C)(C)C(C)(C)[SiH2]O[C@H]1C[C@H](c2cn(CO)c(Cl)c3ccnc2-3)O[C@@H]1CO[Si](C)(C)C(C)(C)C 1775937716 BTIAJTZFWBIXKS-QHAWAJNXSA-N 541.281 6.157 70 10 KKIE [N-]=[N+]=Nc1cc(CS(=O)(=O)F)cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c1 1887520447 PSUXLWNVKVXZLP-UHFFFAOYSA-N 521.574 5.499 70 10 KKIE O=S(=O)(OS(c1ccccc1)(c1ccccc1)c1ccc(Sc2ccccc2)cc1)C(F)(F)F 100299748 USOXTPGAEPVFMC-UHFFFAOYSA-N 520.619 7.901 70 10 KKIE CC(C)(C)OC(=O)n1cnc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)Oc2c(F)c(F)c(F)c(F)c2F)c1 725397596 LRGNPXMUMGUURS-JOCHJYFZSA-N 643.565 6.417 70 10 KKIE COc1ccc(C(OC[C@@H]2O[C@](n3ccc(=NCc4ccccc4)nc3O)([SiH](C)C)[C@H](O)[C@@H]2OC(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 1614137662 GJDRUJPEVPFXKZ-JCAIHGCPSA-N 749.981 6.338 70 10 KKIE Cc1c(C(=O)O)c(C)c([B-](F)(F)F)c(C)c1N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1887518549 JCXXSFLFQJQPDN-UHFFFAOYSA-N 537.367 5.436 70 10 KKIE CC1(C)Cc2cc(/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c3ccc(OS(=O)(=O)C(F)(F)F)cc3)ccc2O1 1616045895 DASNSHKSLZBIMN-HBDZPKCRSA-N 810.454 7.871 70 10 KKIE CC1=NN(c2ccc([N+](=O)[O-])cc2)[C@](C)(C(N=Nc2ccccc2)=P(c2ccccc2)(c2ccccc2)c2ccccc2)O1 1084293303 QVYRVFXPKDIWDR-DHUJRADRSA-N 599.631 7.389 70 10 KKIE FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[Si](Cl)(Cl)Cl 196852547 AVXLXFZNRNUCRP-UHFFFAOYSA-N 553.499 7.190 70 10 KKIE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(N=[N+]=[N-])c(C)c1S(=O)(=O)F 1887520945 HQJGIHKRIPGAII-UHFFFAOYSA-N 549.628 5.970 70 10 KKIE Cc1c(CS(=O)(=O)F)cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc1N=[N+]=[N-] 1887521185 LEIFJWSVKPHZJQ-UHFFFAOYSA-N 535.601 5.807 70 10 KKIE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(N=[N+]=[N-])c(C)c1OS(=O)(=O)F 1887520149 CHVZLEFKIPNUDC-UHFFFAOYSA-N 565.627 5.905 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)/C=C/c3cccc(Br)c3)cc2)cc1 216644277 HAXDAVXKFPTHSP-OVCLIPMQSA-N 523.383 5.566 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)CCc3cccc(Br)c3)cc2)cc1 216641924 VDYYTIDPXMVYDI-UHFFFAOYSA-N 525.399 5.486 70 10 KKIE Cc1cc(Br)c([C@@H](O)c2cc(Br)ccc2Br)cc1Br 161053849 LNVATZNJGUVDDR-AWEZNQCLSA-N 513.849 6.127 70 10 KKIE CC(C)(C)OC(=O)N1CCN(c2cc(CNC(=O)OCC3c4ccccc4-c4ccccc43)cc([B-](F)(F)F)c2)CC1 1887522143 FUGOEGKTZDZJBL-UHFFFAOYSA-N 580.436 5.837 70 10 KKIE CC(C)(O)[C@H]1CC[C@@](C)([C@H](O)CC[C@](C)(O)[C@H]2CC[C@H]3O[C@H]([C@]4(C)CC[C@@H](Br)C(C)(C)O4)CC[C@]3(C)O2)O1 143852587 IFHPYSVGNHWKDY-DRLALKHDSA-N 605.651 5.184 70 10 KKIE CC(C)(C)c1ccc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4C[C@@H]([C@H]5C(=O)N(c6ccc(F)cc6)C(=O)[C@H]45)[C@H]23)cc1 217381384 RHCZVDOMUYJRSY-RWAISMCRSA-N 534.678 5.551 70 10 KKIE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc(B2OC(C)(C)C(C)(C)O2)c(C)c1S(=O)(=O)F 1887515916 LXIRTVWNAHTIBM-UHFFFAOYSA-N 634.579 5.328 70 10 KKIE CC(C)(C)c1ccc(OCCCC(=O)Nc2cccc(CNC(=O)C(F)(F)F)c2)c(Br)c1 216836087 NMIPEESNOIAXNR-UHFFFAOYSA-N 515.370 5.723 70 10 KKIE Cc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc(N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1[B-](F)(F)F 1887515967 TXFOXBJKUACLFI-UHFFFAOYSA-N 608.490 6.454 70 10 KKIE O[Si]1(C2CCCCC2)O[SiH](C2CCCCC2)O[Si](O)(C2CCCCC2)O[Si]2(C3CCCCC3)O[SiH](C3CCCCC3)O[Si](C3CCCCC3)(O1)O[Si](O)(C1CCCCC1)O2 604933928 AJQWTUFQQHTVRM-UHFFFAOYSA-N 959.709 10.599 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)Cc2ccccc2Br)cc1 216665126 NVEHXWTZVQLILU-UHFFFAOYSA-N 511.372 5.096 70 10 KKIE CC(C)(C)OC(=O)Nc1c(Br)cc(Br)cc1[C@@H](CS(=O)(=O)Cl)C1CC1 1952684067 DOUZZXHGSUXODW-LBPRGKRZSA-N 517.667 5.621 70 10 KKIE CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)CSc1ncnc2scc(-c3ccc(Br)cc3)c12 160530597 IWBAQDPTPOJKFE-UHFFFAOYSA-N 624.607 8.065 70 10 KKIE COc1cccc(C=C2SC(C(C#N)=P(c3ccccc3)(c3ccccc3)c3ccccc3)=NC2=O)c1OC 2053621930 DZANOTUILGKDAR-UHFFFAOYSA-N 548.604 5.407 70 10 KKIE CCC(C)(C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@H](C)[C@H](CC[C@H](C[C@H](CC(=O)On3nnc4cccnc43)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]21 504256366 JENQVTPDGXSWAX-JVVPJFTISA-N 783.216 9.875 70 10 KKIE CC(C)(C)OC(=O)N1CCN(Cc2cc(NC(=O)OCC3c4ccccc4-c4ccccc43)cc(OS(=O)(=O)F)c2)CC1 1887520437 OCTAQJANMDOTKH-UHFFFAOYSA-N 611.692 5.693 70 10 KKIE CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)Cn1cnc2sc(CC)c(-c3ccc(Br)cc3)c2c1=O 160799053 UGLVXPHPULHZFF-UHFFFAOYSA-N 636.593 7.302 70 10 KKIE CN(C)/C=C(/SC1=NC(c2ccccc2)=NC(=O)C1=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)c1ccccc1 205197370 JCLGINRMNXERAI-CDSHQWRTSA-N 637.745 6.558 70 10 KKIE Cc1c(N(C)C(=O)OCC2c3ccccc3-c3ccccc32)cc(CC(=O)OC(C)(C)C)cc1[B-](F)(F)F 1887520463 RYJQOJYAKWDULN-UHFFFAOYSA-N 524.368 6.319 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)CCc2ccc(Br)cc2)cc1 216667836 NJNHHBVPLUQMEC-UHFFFAOYSA-N 525.399 5.486 70 10 KKIE CO[C@@H]1[C@H](OC(=O)c2ccc(C)[nH]2)[C@H](O)[C@@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2Cl)OC1(C)C 161238746 FJAQNRBDVKIIKK-HFWHKAEWSA-N 697.137 5.370 70 10 KKIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)/C=C/c3ccc(Br)cc3)cc2)cc1 216644889 SUAWSPNCSBOBQO-FRKPEAEDSA-N 523.383 5.566 70 10 KKIE Cc1c(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc([B-](F)(F)F)cc1NC(=O)OC(C)(C)C 1887522376 YIGJPVBOUVCRSN-UHFFFAOYSA-N 594.463 6.463 70 10 KKIE Cc1c(C#C[Si](C)(C)C)cc(CNC(=O)OCC2c3ccccc3-c3ccccc32)c(C)c1OS(=O)(=O)F 1887521259 RCIVEMUGTBTIEG-UHFFFAOYSA-N 551.712 6.164 70 10 KKIE c1ccc([P+]2(c3ccccc3)=C3Nc4ccccc4[P+](c4ccccc4)(c4ccccc4)=C3Nc3ccccc32)cc1 642814009 MRCPSWMIBLTSTQ-UHFFFAOYSA-N 576.620 6.085 70 10 KKIE