smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C[C@H]1Cn2c(cc(OCc3cc(F)c(Oc4ccnc(C(F)(F)F)c4)c(F)c3)nc2=O)N1C 218287860 FOROUCWBDGYYOS-NSHDSACASA-N 468.382 4.145 70 10 JIIE O=S(=O)(Oc1c(Br)cc(Br)cc1Br)C(F)(F)F 1953173872 NAGKRDYYCPUBHB-UHFFFAOYSA-N 462.863 4.203 70 10 JIIE CC(C)(C)n1c(-c2cc(Br)c(Br)s2)nnc1S(=O)(=O)Cl 158151363 CWEGWBYLUKVUDZ-UHFFFAOYSA-N 463.604 4.214 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)Cc2ccccc2OC)cc1 216664672 HFFAYUXEVPKNGS-UHFFFAOYSA-N 462.502 4.342 70 10 JIIE COc1ccc(C(=O)NCC2CCN(C(=O)[C@H](C)Oc3ccc(C(C)C)cc3)CC2)cc1OC 216871163 DVJNCXMAQHGRCI-IBGZPJMESA-N 468.594 4.263 70 10 JIIE Cc1c(C(=O)N(C)CCCOCc2ccccc2)cc(Br)cc1S(=O)(=O)Cl 384311476 NCQGSMDNAVXMER-UHFFFAOYSA-N 474.804 4.364 70 10 JIIE Cc1c(C(=O)NC2CC(OCc3ccccc3)C2)cc(Br)cc1S(=O)(=O)Cl 716197570 RLHLMXALLHFKKZ-UHFFFAOYSA-N 472.788 4.163 70 10 JIIE O=C(Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)NC1CCN(Cc2ccccc2)CC1 217281433 BHUNAUXEBJVYCO-UHFFFAOYSA-N 460.578 4.401 70 10 JIIE O=C(Nc1ccccc1-c1cn2ccsc2n1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 218539255 LSKDPURSNKUKJL-UHFFFAOYSA-N 466.588 4.490 70 10 JIIE COc1ccc(C(=O)N2CCC(NC(=O)[C@H](C)Oc3ccc(C(C)C)cc3)CC2)cc1OC 216889749 LSHRTKOBPUJTGR-SFHVURJKSA-N 454.567 4.016 70 10 JIIE CC(C)Cn1c(-c2cc(Br)sc2Br)nnc1S(=O)(=O)Cl 232660414 RKEOGOSGCKHERO-UHFFFAOYSA-N 463.604 4.115 70 10 JIIE CC(C)(COCc1cc(I)ccc1Br)CS(=O)(=O)Cl 2341558415 WFWBWHFDLOEEQH-UHFFFAOYSA-N 481.577 4.165 70 10 JIIE Cc1cc(C(=O)N2CC[C@H](OCc3ccccc3)C2)cc(S(=O)(=O)Cl)c1Br 384274636 BIFUCXLGPRKNMV-INIZCTEOSA-N 472.788 4.116 70 10 JIIE O=C(Nc1cc(OS(=O)(=O)F)ccc1C(=O)O)OCC1c2ccccc2-c2ccccc21 1887592287 IBTZRPAOBCSDOF-UHFFFAOYSA-N 457.435 4.339 70 10 JIIE CC(=O)N[C@H](CC(=O)NCc1ccccc1OC(F)(F)F)c1ccc(Br)cc1 217086164 QNXKNWKAQYVQAN-MRXNPFEDSA-N 459.262 4.231 70 10 JIIE CCC[C@@H](COc1cc(Br)cc(I)c1)CS(=O)(=O)Cl 2338706187 VAKWQKKVEFEEEK-VIFPVBQESA-N 481.577 4.417 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)Cc2cccc(F)c2)cc1 216665517 MNOVYPVAVWZVNM-UHFFFAOYSA-N 450.466 4.472 70 10 JIIE CN(CCCOCc1ccccc1)C(=O)c1cc(S(=O)(=O)Cl)ccc1Br 384281966 NQWNJGOJVRPHIF-UHFFFAOYSA-N 460.777 4.056 70 10 JIIE Cc1cc(I)ccc1NC(=O)Nc1ccc2c(c1)C(=O)N(C(C)C)C2=O 217279154 QUZMODIUNJMOJQ-UHFFFAOYSA-N 463.275 4.248 70 10 JIIE COC(=O)c1ccc(CNC(=O)NCCCOc2ccc(Br)cc2Cl)cc1 217299177 FKSVBGYYGQOJJH-UHFFFAOYSA-N 455.736 4.157 70 10 JIIE F[B-](F)(F)c1cnc(N2CCC[C@@H]2[C@H]2CCN(Cc3ccccc3)C2)c(Br)c1 2172767690 XLBWZTVHJWIQCD-QFBILLFUSA-N 453.135 4.389 70 10 JIIE O=C(Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)N1CCN(c2ccc(F)cc2)CC1 217281206 OGEDZHXZPPOYRP-UHFFFAOYSA-N 450.514 4.109 70 10 JIIE O=S(=O)(Cl)c1cc(OC(F)(F)F)cc(I)c1C(F)(F)F 2055151074 YXDYAWNYEXOKFJ-UHFFFAOYSA-N 454.513 4.136 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)Cc3ccccc3F)c2)cc1 216689319 JFRSVOSPHDCQQL-UHFFFAOYSA-N 450.466 4.472 70 10 JIIE CC(C)[C@@H](COc1cc(Br)cc(I)c1)CS(=O)(=O)Cl 2338706650 ZSFDDJNAEBRYED-VIFPVBQESA-N 481.577 4.273 70 10 JIIE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1Br)C(=O)N1CC[C@@H]([B-](F)(F)F)C1 2368348543 DLIRLPXUZOTUIT-HIFRSBDPSA-N 464.111 4.335 70 10 JIIE O=C(NCc1ccc(S(=O)(=O)Cl)s1)c1cc(Br)ccc1Br 159734704 SOZLFYAYVWAFLA-UHFFFAOYSA-N 473.595 4.131 70 10 JIIE O=C(NC[C@H]1CCCN1c1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2F)cc1 217820527 ADVATTUOQCBVBM-OAQYLSRUSA-N 453.539 4.025 70 10 JIIE C[Si](C)(C)C#CCOc1c(Br)cc(S(=O)(=O)Cl)cc1Br 2187472923 FFPPDLPCGGVSQE-UHFFFAOYSA-N 460.647 4.399 70 10 JIIE COc1ccc(OCCNC(=O)NCCCOc2ccc(Br)cc2Cl)cc1 217299106 BTEVUYFUPHMZKD-UHFFFAOYSA-N 457.752 4.258 70 10 JIIE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)Nc2ccccc2S(=O)(=O)F)C1 2181137025 LWMCZSKRNGZMLO-XMMPIXPASA-N 492.569 4.127 70 10 JIIE CN(CCOCc1ccccc1)C(=O)c1c(Cl)cc(F)c(S(=O)(=O)Cl)c1Cl 2366405057 LMNQIHPXDMGCQJ-UHFFFAOYSA-N 454.734 4.349 70 10 JIIE O=S(=O)(Cl)c1cc(Br)c(OCCC[C@@H]2CCCO2)c(Br)c1 115664762 FEECYBFMALYJAC-VIFPVBQESA-N 462.587 4.477 70 10 JIIE O=C(NCCCN1C(=O)c2ccc(Br)cc2C1=O)Nc1cccc(Br)c1 217306625 DBUBTYCWOZFTGV-UHFFFAOYSA-N 481.144 4.019 70 10 JIIE O=C(c1cc(Br)cc(S(=O)(=O)Cl)c1Cl)N1CC[C@H](OCc2ccccc2)C1 384281231 GSPHXCIMDGCJBV-AWEZNQCLSA-N 493.206 4.461 70 10 JIIE CC[C@H](COCc1cc(I)ccc1Br)CS(=O)(=O)Cl 2341549410 IQVJKGKZNNGRCN-SECBINFHSA-N 481.577 4.165 70 10 JIIE Cc1c(Br)cc(S(=O)(=O)Cl)cc1C(=O)N1CC[C@@H](OCc2ccccc2)C1 384292196 WWBVSFGDCBKHKX-OAHLLOKOSA-N 472.788 4.116 70 10 JIIE COc1cc(Br)c(Oc2ccc(S(=O)(=O)Cl)cn2)cc1Br 160173554 NOTZADAQRUZNPC-UHFFFAOYSA-N 457.527 4.335 70 10 JIIE CC[C@@H](COc1c(Br)cc([N+](=O)[O-])cc1Br)CS(=O)(=O)Cl 115562224 WMICWWHSIDXEBP-ZETCQYMHSA-N 465.547 4.093 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)COc2ccccc2OC)cc1 216661634 SUMHPPCCZXKKSR-UHFFFAOYSA-N 478.501 4.178 70 10 JIIE CCc1ccc([C@H](C)NC(=O)NCCCN2C(=O)c3ccc(Br)cc3C2=O)cc1 217306460 DOPTYEPNWSINBR-AWEZNQCLSA-N 458.356 4.058 70 10 JIIE C#Cc1ccc([C@H](OC(=O)c2cc(Cl)c(S(=O)(=O)F)cc2OC)C(F)(F)F)cc1 1521344631 WMCMZZWURUQXSV-INIZCTEOSA-N 450.793 4.449 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)Cc2cccc(OC)c2)cc1 216665384 VCYRPYWSYMNFOF-UHFFFAOYSA-N 462.502 4.342 70 10 JIIE CN(CCCOCc1ccccc1)C(=O)c1cc(S(=O)(=O)Cl)c(Br)cc1F 384315247 UCVDDDQUCSYKCV-UHFFFAOYSA-N 478.767 4.195 70 10 JIIE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)N1CC[C@@H]2C[C@]2([B-](F)(F)F)C1 1909835788 FFEAYWTYIGCDCN-FGSXEWAUSA-N 455.306 4.327 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)c3ccc(N(C)C)cc3)cc2)cc1 216637616 DJYLXQYSBLVGMC-UHFFFAOYSA-N 461.518 4.470 70 10 JIIE O=C(Nc1ccccc1NC(=O)C(F)(F)F)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 216776618 GOMQZQCOEMMWQT-HXUWFJFHSA-N 481.430 4.033 70 10 JIIE CN(C(=O)c1cc(Br)cc(S(=O)(=O)Cl)c1)[C@H]1CC[C@@H]1OCc1ccccc1 2156362071 CGHJAJCENNXYJB-ROUUACIJSA-N 472.788 4.196 70 10 JIIE O=C(c1cc(Br)cc(S(=O)(=O)Cl)c1)N1CCC[C@@H](OCc2ccccc2)C1 2186380022 FBLLUMPMNAMPCP-QGZVFWFLSA-N 472.788 4.198 70 10 JIIE O=C(NC[C@@H]1CCCN1c1ccccc1)c1cccc(NS(=O)(=O)c2ccccc2F)c1 217823286 DNSNDSGGTDUMLC-NRFANRHFSA-N 453.539 4.025 70 10 JIIE CC1(C)[C@@H](NC(=O)c2cc(S(=O)(=O)Cl)c(Br)o2)C[C@H]1OCc1ccccc1 717973420 FKZPNANMPHGJBC-LSDHHAIUSA-N 476.776 4.083 70 10 JIIE COC[C@H](C)CCOc1c(Br)cc(S(=O)(=O)Cl)cc1Br 2187527051 GCMPSRKXEZCVRJ-MRVPVSSYSA-N 450.576 4.191 70 10 JIIE CCOC(=O)C(CC(=O)OC(C)(C)C)=P(c1ccccc1)(c1ccccc1)c1ccccc1 100468513 MOISLNSHZZDJGS-UHFFFAOYSA-N 462.526 4.448 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)[C@@H](C)Oc3ccc(O)cc3)c2)cc1 216677023 OPYIGMMXDXHWNH-QGZVFWFLSA-N 478.501 4.264 70 10 JIIE Cc1cc(S(=O)(=O)NCCn2nc(-c3ccncc3)c3c2CCCC3)c(Cl)cc1Cl 217468361 GGVKJGCVTDYLHT-UHFFFAOYSA-N 465.406 4.418 70 10 JIIE O=S(=O)(Cl)C[C@@H](COc1cc(Br)cc(I)c1)C1CCC1 2364052452 ZAJOZDWCAPJMNY-SNVBAGLBSA-N 493.588 4.417 70 10 JIIE COc1ccc(C(=O)NCC2CCN(C(=O)/C=C/c3cccc(Br)c3)CC2)cc1OC 216883859 IIENYKRHMOFZFK-RMKNXTFCSA-N 487.394 4.148 70 10 JIIE O=C(NCCCOc1ccc(Br)cc1Cl)NC[C@H]1COc2ccccc2O1 217299146 RWIZQUIUVKKFTL-AWEZNQCLSA-N 455.736 4.011 70 10 JIIE O=C(NC1CC(COCc2ccccc2)C1)c1cc(Br)cc(S(=O)(=O)Cl)c1 2149050262 FQKSFIISUMXXTI-UHFFFAOYSA-N 472.788 4.102 70 10 JIIE COc1ccc(C(=O)NC2CCN(C(=O)[C@H](C)Oc3ccccc3C(C)C)CC2)cc1OC 216889436 WQSVWRFYFYITMS-SFHVURJKSA-N 454.567 4.016 70 10 JIIE COCCCCN(Cc1ccccc1)C(=O)c1cc(Br)cc(S(=O)(=O)Cl)c1 2152212195 XPJABXUFWWYIAQ-UHFFFAOYSA-N 474.804 4.446 70 10 JIIE O=C(NC1CC(COCc2ccccc2)C1)c1ccc(Br)c(S(=O)(=O)Cl)c1 2149051559 PSTCIFIMAMTXJM-UHFFFAOYSA-N 472.788 4.102 70 10 JIIE Cc1cc(C(=O)N2CC[C@@H](OCc3ccccc3)C2)cc(S(=O)(=O)Cl)c1Br 384274637 BIFUCXLGPRKNMV-MRXNPFEDSA-N 472.788 4.116 70 10 JIIE N#CC(C(=O)Nc1ccc([N+](=O)[O-])cc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 100435667 WKJYCUNNNNIWLE-UHFFFAOYSA-N 465.449 4.223 70 10 JIIE O=S(=O)(Cl)c1cc(Br)c(OCCC[C@H]2CCCO2)c(Br)c1 115664766 FEECYBFMALYJAC-SECBINFHSA-N 462.587 4.477 70 10 JIIE O=C(c1cc(S(=O)(=O)Cl)cc(Br)c1Cl)N1CC[C@H](OCc2ccccc2)C1 384286421 OMARUTXMVDLJAW-ZDUSSCGKSA-N 493.206 4.461 70 10 JIIE O=S(=O)(Cl)c1cc(C(F)(F)F)cc(I)c1OC(F)(F)F 2055150935 VHAUBRMLEVRXIM-UHFFFAOYSA-N 454.513 4.136 70 10 JIIE CN(C(=O)c1ccc(Br)c(S(=O)(=O)Cl)c1)[C@H]1CC[C@H]1OCc1ccccc1 2156383070 PGUNBLAVQKDUCL-DLBZAZTESA-N 472.788 4.196 70 10 JIIE COc1ccc(OC)c(-c2cc(C(=O)NCc3ccc(C(=O)c4ccccc4)s3)n(C)n2)c1 217294268 ULNYNVHKUBUUQK-UHFFFAOYSA-N 461.543 4.327 70 10 JIIE CC(C)C(=O)N1CCCc2ccc(NC(=O)C(=O)NCc3ccc(C(=O)c4ccccc4)s3)cc21 217294615 MEXKWRIXJXYNRY-UHFFFAOYSA-N 489.597 4.169 70 10 JIIE O=S(=O)(F)c1cc(Br)c(OCCOCc2ccccc2)c(Br)c1 1989236768 FKBPZNDAJFACAV-UHFFFAOYSA-N 468.138 4.465 70 10 JIIE O=S(=O)(Cl)c1cc(Br)c(OCc2cncc(Br)c2)cc1F 166855010 ZLWZCLYCWBZEFN-UHFFFAOYSA-N 459.518 4.252 70 10 JIIE COc1ccc(C(=O)NCC2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1OC 216866524 ZHDWKPKZDCPNIK-UHFFFAOYSA-N 451.350 4.293 70 10 JIIE CC[C@H](COCc1ccc(I)c(Br)c1)CS(=O)(=O)Cl 2350076135 BNAIVVSBQMFSAC-SECBINFHSA-N 481.577 4.165 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)Cc3ccc(OC)cc3)c2)cc1 216674501 JYZPFIAPVJAUMY-UHFFFAOYSA-N 462.502 4.342 70 10 JIIE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H]2C[C@]2([B-](F)(F)F)C1 1909836633 QOKDGBVZTLEXAO-PBWVOLNLSA-N 455.306 4.325 70 10 JIIE COc1ccc(C(=O)N2CCC(CNC(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1OC 216878641 VCJPRPOFZXOJIM-UHFFFAOYSA-N 450.457 4.005 70 10 JIIE CCOc1cc(C(=O)NCCn2nc(-c3ccncc3)c3c2CCCC3)cc(OCC)c1OCC 217457680 YIYACEGGWJPLOB-UHFFFAOYSA-N 478.593 4.450 70 10 JIIE CC(C)Cn1c(-c2scc(Br)c2Br)nnc1S(=O)(=O)Cl 705524474 BZZPNAUMLGPCST-UHFFFAOYSA-N 463.604 4.115 70 10 JIIE O=C(Nc1cc(Cl)ccc1Cl)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 217302685 DVEGXBSYLPVBGT-UHFFFAOYSA-N 464.758 4.312 70 10 JIIE COC(=O)c1ccc(C(=O)OC)c(NC(=O)NCCCOc2ccc(Br)cc2Cl)c1 217299014 SWZSSAWEIQBAJH-UHFFFAOYSA-N 499.745 4.266 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)NCCCNC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1 216701625 WJRNCKPTBUGPBF-SFHVURJKSA-N 456.539 4.049 70 10 JIIE Cc1c(C(=O)N2CC[C@H](OCc3ccccc3)C2)cc(Br)cc1S(=O)(=O)Cl 384283010 IUTDRFQUVWOUNP-INIZCTEOSA-N 472.788 4.116 70 10 JIIE COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1ccc2noc(-c3ccccc3)c2c1 217945019 XWEIYTKRPOUJOT-GCJKJVERSA-N 460.461 4.469 70 10 JIIE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H]2C[C@]2([B-](F)(F)F)C1 1909836631 QOKDGBVZTLEXAO-BREDGVMVSA-N 455.306 4.325 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)cc1 216636742 ARYAJCIFDRUYAJ-UHFFFAOYSA-N 462.458 4.133 70 10 JIIE COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1c(-c2ccccc2Cl)noc1C 217897705 ISSBCFUXQHBEQR-KBXCAEBGSA-N 458.873 4.278 70 10 JIIE CC(C)c1ccccc1O[C@H](C)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 217292076 LOPIBYDNTGXLSC-MRXNPFEDSA-N 482.002 4.031 70 10 JIIE Cc1cccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC4(CC3)OC(=O)c3ccccc34)cc2)c1 217520166 IQFGZSTYMAGDLM-UHFFFAOYSA-N 476.554 4.098 70 10 JIIE COc1ccc(C(=O)N2CCC(CNC(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1OC 216866547 ZNTAKKQRDQRRGR-UHFFFAOYSA-N 451.350 4.293 70 10 JIIE COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1ccccc1C(=O)c1ccc(F)cc1 217925984 DWMSWGWOUYVYPZ-PGRDOPGGSA-N 465.452 4.031 70 10 JIIE O=S(=O)(F)c1cc(Br)c(OCC2(Br)CC2)c(Br)c1 2071420021 AVFOZAZASTYVSK-UHFFFAOYSA-N 466.948 4.176 70 10 JIIE F[B-](F)(F)c1cnc(N2CCC3(CCN(Cc4ccccc4)CC3)C2)c(Br)c1 2172769358 WRAWEMQDAGGMCD-UHFFFAOYSA-N 453.135 4.391 70 10 JIIE CC(=O)N[C@@H](CC(=O)NCc1ccccc1OC(F)(F)F)c1ccc(Br)cc1 217086137 QNXKNWKAQYVQAN-INIZCTEOSA-N 459.262 4.231 70 10 JIIE CN(CCCOCc1ccccc1)C(=O)c1cc(Br)cc(S(=O)(=O)Cl)c1F 384312018 NNORJWWFSVLVDE-UHFFFAOYSA-N 478.767 4.195 70 10 JIIE O=S(=O)(Cl)c1cccnc1Oc1cc(Br)cc(I)c1 2338895680 QHHWZIQRGDPAKA-UHFFFAOYSA-N 474.501 4.169 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)c3ccc(OC)c(OC)c3)c2)cc1 216673008 AKWATMKYZSDBIA-UHFFFAOYSA-N 478.501 4.421 70 10 JIIE CCC[C@H](COc1cc(Br)cc(I)c1)CS(=O)(=O)Cl 2338706186 VAKWQKKVEFEEEK-SECBINFHSA-N 481.577 4.417 70 10 JIIE COc1cc(Cl)c(C)cc1NC(=O)NCCCN1C(=O)c2ccc(Br)cc2C1=O 217306686 RCFYOCTXDAHQRD-UHFFFAOYSA-N 480.746 4.227 70 10 JIIE COCC(C)(C)COc1c(Br)cc(S(=O)(=O)Cl)cc1Br 712662865 IIFZJODJWATZOT-UHFFFAOYSA-N 450.576 4.191 70 10 JIIE O=C(NC1CC(COCc2ccccc2)C1)c1cc(S(=O)(=O)Cl)ccc1Br 2149051770 RSJYZCCGCJLYCU-UHFFFAOYSA-N 472.788 4.102 70 10 JIIE O=S(=O)(Cl)c1c(C(F)(F)F)ccc(OC(F)(F)F)c1I 2055151711 PGJBYNBCURMRNC-UHFFFAOYSA-N 454.513 4.136 70 10 JIIE COc1ccc([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 217377210 QSLWCGBKRYOZIA-SUZJGXHKSA-N 490.606 4.123 70 10 JIIE O=S(=O)(Cl)c1cc(Br)ccc1OC[C@@H]1CC1(Br)Br 2218005563 IPQAQLIJBVPBMW-LURJTMIESA-N 483.403 4.261 70 10 JIIE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)N2CC[C@@H]([B-](F)(F)F)C2)C1 2303111840 NHRPLYCBALPREB-GCJKJVERSA-N 455.306 4.280 70 10 JIIE F[B-](F)(F)c1cnc(N2CCC[C@H]2[C@H]2CCN(Cc3ccccc3)C2)c(Br)c1 2172767689 XLBWZTVHJWIQCD-LPHOPBHVSA-N 453.135 4.389 70 10 JIIE Nc1cc(CS(=O)(=O)F)cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c1 1887579225 RRFYYBIFCZIERU-UHFFFAOYSA-N 495.576 4.139 70 10 JIIE C[C@@]1(C2CC2)CN(c2ncc([B-](F)(F)F)cc2Br)CCN1Cc1ccccc1 2172771417 ZLZFFTDGTLITFH-FQEVSTJZSA-N 453.135 4.389 70 10 JIIE N[C@@H](c1cc(Br)ccc1Br)c1cc2[nH]c(=O)[nH]c2cc1Br 159863834 VEPTXXOPJQXHMG-ZDUSSCGKSA-N 475.966 4.192 70 10 JIIE COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1S(=O)(=O)c1ccc(-c2ccc(C)cc2)cc1 218004356 BQQIGELDAYWIIE-NFBKMPQASA-N 469.534 4.185 70 10 JIIE CC(C)(C)OC(=O)N[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@@H]([B-](F)(F)F)C1 2368348115 BKYWXFZOBAFCGO-UKRRQHHQSA-N 464.111 4.335 70 10 JIIE C=C(Cl)CSc1nc(C)c(CC(=O)Nc2ccc(F)c(CS(=O)(=O)F)c2)s1 1544769286 DEKGMHLBDXNSSH-UHFFFAOYSA-N 452.957 4.416 70 10 JIIE COc1ccc(C(=O)N2CCC(NC(=O)[C@@H](C)Oc3ccccc3C(C)C)CC2)cc1OC 216889493 CCUZGRHILYJIQB-GOSISDBHSA-N 454.567 4.016 70 10 JIIE COc1ccc(CCC(=O)NC[C@H]2CCCN2c2nccs2)cc1OCc1ccccc1 217746739 QLAXXDCMLVVETK-OAQYLSRUSA-N 451.592 4.449 70 10 JIIE CC(C)[C@@H](COCc1cc(I)ccc1Cl)CS(=O)(=O)Cl 2380346827 RBAUOOYIMASYBP-NSHDSACASA-N 451.153 4.302 70 10 JIIE COc1nc(Sc2cc(I)ccc2Br)ncc1[B-](F)(F)F 2363620672 MDKJCVLZLUVXCN-UHFFFAOYSA-N 489.871 4.058 70 10 JIIE CC(C)(COc1cc(Br)cc(I)c1)CS(=O)(=O)Cl 2316709968 QXRHGXPQQTVBIC-UHFFFAOYSA-N 467.550 4.027 70 10 JIIE CC(C)(C)OC(=O)N1CCC[C@@]2(C[C@H](OS(=O)(=O)C(F)(F)F)CO2)[C@@H]1c1ccccc1 100458312 LRHDFFVIRIJGJI-TXPKVOOTSA-N 465.490 4.153 70 10 JIIE CCC[C@H](COCc1ccc(Cl)cc1I)CS(=O)(=O)Cl 2365687660 ZXYKINHFSFVRNR-SNVBAGLBSA-N 451.153 4.446 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)c3cc(OC)cc(OC)c3)c2)cc1 216675670 ODNAEAMHTCQBEB-UHFFFAOYSA-N 478.501 4.421 70 10 JIIE O=C(CN1CCN(Cc2noc(-c3ccccc3)n2)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 216898671 XZGXRIRPQREAEX-UHFFFAOYSA-N 479.890 4.165 70 10 JIIE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)N2CC[C@H]([B-](F)(F)F)C2)C1 2303111841 NHRPLYCBALPREB-PGRDOPGGSA-N 455.306 4.280 70 10 JIIE CC(C)(C)c1ccc(OCCCNC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 217299574 IIOXNEPFTMPOOY-UHFFFAOYSA-N 453.583 4.009 70 10 JIIE O=S(=O)(Nc1cccc(-c2csc(Nc3ccccc3Cl)n2)c1)N1CCOCC1 218390626 JUJWGHPWMWQHOH-UHFFFAOYSA-N 450.973 4.196 70 10 JIIE O=C(NC1CC(COCc2ccccc2)C1)c1cc(S(=O)(=O)Cl)cn1Cc1ccccc1 2031749741 LJKXQGULPYKXQP-UHFFFAOYSA-N 472.994 4.189 70 10 JIIE F[B-](F)(F)c1cnc(N2CCN(Cc3ccccc3)C[C@@H]2C(F)(F)F)c(Br)c1 2186710079 IYYKJHWLYQQJFE-OAHLLOKOSA-N 467.040 4.152 70 10 JIIE C[C@H]1[C@@H](COc2c(Br)cc(S(=O)(=O)Cl)cc2Br)C1(F)F 2151821264 AETGBNUAVXJPDU-CAHLUQPWSA-N 454.514 4.419 70 10 JIIE O=C(c1ccc(Br)c(S(=O)(=O)Cl)c1)N1CCC[C@@H](OCc2ccccc2)C1 2186379909 DRFLMQBVTMELKO-MRXNPFEDSA-N 472.788 4.198 70 10 JIIE O=C(c1cc(Br)cc(S(=O)(=O)Cl)c1)N(Cc1ccccc1)C[C@H]1CCCO1 2152275514 VFGFTTONUFEUNV-QGZVFWFLSA-N 472.788 4.198 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)COc3ccccc3OC)c2)cc1 216686042 XPHSXWSCIHATCA-UHFFFAOYSA-N 478.501 4.178 70 10 JIIE CCOC(=O)N1CCC(NC(=O)NCCCOc2ccc(C(C)(C)C)cc2Br)CC1 217298707 QPIXEGXUXSZQAB-UHFFFAOYSA-N 484.435 4.436 70 10 JIIE O=C(Nc1ccccc1-c1cn2ccsc2n1)[C@@H]1CCCCN1c1ccc(-n2cccn2)nn1 218569456 CJFNWTRSVYUIOW-FQEVSTJZSA-N 470.562 4.036 70 10 JIIE O=S(=O)(c1cc(Br)sc1Br)N1CC[C@H]2C[C@]2([B-](F)(F)F)C1 2194170458 FQRGCHZYLIEKQL-WKEGUHRASA-N 467.943 4.275 70 10 JIIE CP(C)(=O)CCOc1c(Br)cc(S(=O)(=O)Cl)cc1Br 2139847109 ZJIDOAQWWCJVAN-UHFFFAOYSA-N 454.504 4.141 70 10 JIIE CCN(C(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1)[C@@H](C)Cc1ccc(OC)cc1 217047404 DESBGLHAFRZKDF-UXHICEINSA-N 458.624 4.352 70 10 JIIE O=C([C@H]1CCC[C@@H](C(=O)N2CCO[C@@H](c3ccccc3F)C2)C1)N1CCO[C@@H](c2ccccc2F)C1 216676335 IXEPBRPDHZOQDA-KYVQNOJUSA-N 498.570 4.271 70 10 JIIE O=S(=O)(Cl)c1c(OC(F)(F)F)cc(I)cc1C(F)(F)F 2055119000 BNCINQWYRCFFGD-UHFFFAOYSA-N 454.513 4.136 70 10 JIIE COc1ccc(C(=O)N2CCC(CNC(=O)c3ccccc3C(F)(F)F)CC2)cc1OC 216874038 UIUJAHPCSKYXSM-UHFFFAOYSA-N 450.457 4.005 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)Cc3cccc(F)c3)c2)cc1 216689899 NVOPMPOQTDBEFM-UHFFFAOYSA-N 450.466 4.472 70 10 JIIE C[C@]12CN(Cc3ccccc3)C[C@]1(C)CN(c1ncc([B-](F)(F)F)cc1Br)C2 2172769124 SOIHGJJDMFVVMW-WOJBJXKFSA-N 453.135 4.247 70 10 JIIE O=C(NC[C@@H]1CCCN1c1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2F)cc1 217820596 ADVATTUOQCBVBM-NRFANRHFSA-N 453.539 4.025 70 10 JIIE CCOc1cc(NC(=O)Nc2cc(C(=O)OC)ccc2C(=O)OC)cc(OCC)c1OCC 217274784 KZZZLKVWBMWXQN-UHFFFAOYSA-N 460.483 4.100 70 10 JIIE C[C@H](c1ccccc1)N1C[C@H](NC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1=O 217283588 HQJXHQNZNRDRCY-YIXXDRMTSA-N 482.628 4.465 70 10 JIIE C[C@H](NC(=O)NCCCN1C(=O)c2ccc(Br)cc2C1=O)c1ccc2c(c1)CCCC2 217306462 KMKKYDXWKAWSNS-HNNXBMFYSA-N 484.394 4.374 70 10 JIIE O=C(NCCCOc1ccc(Br)cc1Cl)Nc1ncc(Br)cn1 217299202 JCCLUCAIIKHJLL-UHFFFAOYSA-N 464.545 4.246 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)Cc3cccc(OC)c3)c2)cc1 216689837 XTDWVRQRKGHYQP-UHFFFAOYSA-N 462.502 4.342 70 10 JIIE O=S(=O)(F)c1cc(Br)c(OC[C@H]2CC2(Br)Br)cc1F 2224811303 YCMKAURTMKLCEZ-RXMQYKEDSA-N 484.938 4.131 70 10 JIIE Cc1ncnc(Sc2cc(I)ccc2Br)c1[B-](F)(F)F 2338314104 XOABUHIPXWBUPT-UHFFFAOYSA-N 473.872 4.358 70 10 JIIE O=C(NCCCOc1ccc(Br)cc1Cl)N1CCN(c2ccccc2)CC1 217299137 QPOIOEULHNELCK-UHFFFAOYSA-N 452.780 4.403 70 10 JIIE COc1ccc(C(=O)NCC2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)cc1OC 216871288 GIQCDFWXOPWMBW-UHFFFAOYSA-N 481.376 4.058 70 10 JIIE O=S(=O)(Cl)c1cc(OC(F)(F)F)c(I)c(C(F)(F)F)c1 2055119093 DMPOTKWPUAMHOS-UHFFFAOYSA-N 454.513 4.136 70 10 JIIE C=C(I)COc1c(C)cc(Br)cc1S(=O)(=O)Cl 2021107399 RFGHHMWEMXMFQX-UHFFFAOYSA-N 451.507 4.013 70 10 JIIE Cc1c(Br)cc(C(=O)N(C)CCCOCc2ccccc2)cc1S(=O)(=O)Cl 384308973 JFTWCFSYSJNJFI-UHFFFAOYSA-N 474.804 4.364 70 10 JIIE COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1S(=O)(=O)c1ccc(-c2cccc(C)c2)cc1 218005582 VWZGJBATLFJETH-NZQKXSOJSA-N 469.534 4.185 70 10 JIIE CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2-c2cn3ccsc3n2)cc1 218539852 KXSYXIRPUZIPNL-UHFFFAOYSA-N 454.577 4.346 70 10 JIIE O=S(=O)(F)C1(F)C(F)(F)C(F)(F)C(F)(C(F)(F)C(F)(F)F)C(F)(F)C1(F)F 100425114 ZUNLKLHLASQCRH-UHFFFAOYSA-N 464.121 4.412 70 10 JIIE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2C[C@]2([B-](F)(F)F)C1 2018402040 QOKDGBVZTLEXAO-FCQWJQKHSA-N 455.306 4.325 70 10 JIIE CN(C(=O)c1cc(S(=O)(=O)Cl)ccc1Br)[C@H]1CC[C@H]1OCc1ccccc1 2156384157 XCECGHWUAWRMKJ-ZWKOTPCHSA-N 472.788 4.196 70 10 JIIE CN(C(=O)c1cc(S(=O)(=O)Cl)cn1Cc1ccccc1)[C@@H]1CC[C@@H]1OCc1ccccc1 2038743322 IVTZGJFBZQGPGW-GGAORHGYSA-N 472.994 4.284 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)c2cc(OC)cc(OC)c2)cc1 216650532 ZGQKAMPCEOUUCS-UHFFFAOYSA-N 478.501 4.421 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)NCCCNC(=O)COc2ccc(C)cc2C(C)(C)C)cc1 216701368 QRMZSGIYKYZDOK-UHFFFAOYSA-N 470.566 4.143 70 10 JIIE O=C(Nc1ccsc1-c1nc(C2CC2)no1)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 217286148 DBWCHMRAVGINFW-GFCCVEGCSA-N 473.352 4.430 70 10 JIIE O=S(=O)(Cl)CCCCCOCc1ccc(I)c(Br)c1 2350071485 IUWZCHZYCNNSCE-UHFFFAOYSA-N 481.577 4.309 70 10 JIIE Cc1cc(C(=O)N[C@H]2CC[C@H]2OCc2ccccc2)cc(S(=O)(=O)Cl)c1Br 2156371079 AVEJFXQNJOKZOL-JKSUJKDBSA-N 472.788 4.163 70 10 JIIE CN(C(=O)c1ccc(Br)c(S(=O)(=O)Cl)c1)[C@@H]1CC[C@@H]1OCc1ccccc1 2156383073 PGUNBLAVQKDUCL-SJORKVTESA-N 472.788 4.196 70 10 JIIE O=C(Nc1cccc(NC(=O)C(F)(F)F)c1)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 216764136 BYWRSYNXYNQPLF-UHFFFAOYSA-N 459.424 4.368 70 10 JIIE CCOc1cc(C(=O)NCc2cccc(NC(=O)C(F)(F)F)c2)cc(OCC)c1OCC 216831350 HVUZRSXGZNVENS-UHFFFAOYSA-N 454.445 4.314 70 10 JIIE COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1 218006739 GOSYDHHTUKBSPT-UGKGYDQZSA-N 471.506 4.002 70 10 JIIE O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)NC(c1ccccc1)c1ccccc1 217269761 OXWHBGNNZVGSLG-UHFFFAOYSA-N 485.993 4.272 70 10 JIIE O=S(=O)(F)c1cc(Br)c(OC[C@@H]2C[C@@H]2Br)c(Br)c1 2076229743 FRWTUVIODNBFAQ-FSPLSTOPSA-N 466.948 4.032 70 10 JIIE COc1ccc(C(=O)N2CCC(CNC(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)CC2)cc1OC 216871194 NKLFTRGNMKDDLZ-LJQANCHMSA-N 468.594 4.263 70 10 JIIE O=S(=O)(Cl)c1ccc(C(F)(F)F)c(I)c1OC(F)(F)F 2055150169 FCKBYCLTYVRHLS-UHFFFAOYSA-N 454.513 4.136 70 10 JIIE O=S(=O)(Cl)C[C@@H](COc1cc(Br)cc(I)c1)CC1CC1 2364274251 PJRAILGLZCVRDH-SNVBAGLBSA-N 493.588 4.417 70 10 JIIE COc1ccc(C(=O)N2CCC(CNC(=O)COc3cc(C)c(Cl)c(C)c3)CC2)cc1OC 216870618 ZLXDMULGZSKBFI-UHFFFAOYSA-N 474.985 4.021 70 10 JIIE C[C@H](CCOc1cc(Br)cc(I)c1)CCS(=O)(=O)Cl 2338894246 AHZZGFHWLHHJOX-SECBINFHSA-N 481.577 4.417 70 10 JIIE F[B-](F)(F)c1cnc(N2CCC[C@]3(CCN(Cc4ccccc4)C3)C2)c(Br)c1 2172770193 IFLWMHODIIKQET-HXUWFJFHSA-N 453.135 4.391 70 10 JIIE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)N2CC[C@@](C)([B-](F)(F)F)C2)C1 2303108957 MQAWFTGZNIDTNF-OAQYLSRUSA-N 455.306 4.280 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)NCCCNC(=O)C(c2ccccc2)c2ccccc2)cc1 216698162 AUBPOINOFZJRON-UHFFFAOYSA-N 460.530 4.290 70 10 JIIE O=C1C[C@@H](C(=O)N(Cc2cccs2)C2CCOCC2)CN1c1cccc(Br)c1 217290616 AXGXYHAECPUKKA-OAHLLOKOSA-N 463.397 4.071 70 10 JIIE O=S(=O)(NCCn1nc(-c2ccncc2)c2c1CCCC2)c1cc(Cl)ccc1Cl 217467636 JORSISYTVOGSRD-UHFFFAOYSA-N 451.379 4.109 70 10 JIIE O=C(NC[C@@H]1CCCN1c1ccccc1)c1cccc(NS(=O)(=O)c2cccc(F)c2)c1 217823496 JBNRAQNAIVAVSF-QFIPXVFZSA-N 453.539 4.025 70 10 JIIE O=C(N[C@@H](CCC(=O)N1CC[C@@H]2C[C@@]2([B-](F)(F)F)C1)C(F)(F)F)OCc1ccccc1 2194132864 MGVWHRLASLZHAX-RVKKMQEKSA-N 451.196 4.464 70 10 JIIE CNc1nnc(C(=O)Nc2c(Br)cc(Br)cc2Br)s1 160043666 LMDDUSCFJNYDCJ-UHFFFAOYSA-N 470.972 4.120 70 10 JIIE NCc1cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc([B-](F)(F)F)c1 1887520354 CBHVMRDNWUUDAP-UHFFFAOYSA-N 480.319 4.271 70 10 JIIE O=S(=O)(Cl)C[C@H](COCc1cc(I)ccc1Br)C1CC1 2367288533 RTBIUFXSNATVRI-NSHDSACASA-N 493.588 4.165 70 10 JIIE CC(C)c1ccc(O[C@@H](C)NC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 217296130 NJSZPWCFLPIENR-INIZCTEOSA-N 482.002 4.031 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)c3ccc4c(c3)OCO4)cc2)cc1 216636790 PFEFXODALCSWIT-UHFFFAOYSA-N 462.458 4.133 70 10 JIIE O=S(=O)(CCCOCc1ccccc1)Nc1c(Cl)cc(S(=O)(=O)Cl)cc1Cl 312842218 VTRJQESENFCGTC-UHFFFAOYSA-N 472.799 4.270 70 10 JIIE CN(C(=O)c1cc(S(=O)(=O)Cl)cn1Cc1ccccc1)[C@@H]1CC[C@H]1OCc1ccccc1 2038743321 IVTZGJFBZQGPGW-FYYLOGMGSA-N 472.994 4.284 70 10 JIIE F[B-](F)(F)c1cnc(N2CC[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)c(Br)c1 2172767379 SXZPHRDDTYGDJK-SJORKVTESA-N 453.135 4.247 70 10 JIIE O=S(=O)(c1cc(Br)sc1Br)N1CCC[C@H]([B-](F)(F)F)C1 2133921513 XIDGCMIQDJMWBO-LURJTMIESA-N 455.932 4.275 70 10 JIIE COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1 218006958 GOSYDHHTUKBSPT-DENIHFKCSA-N 471.506 4.002 70 10 JIIE Cc1c(Br)cc(C(=O)N[C@@H]2CC[C@@H]2OCc2ccccc2)cc1S(=O)(=O)Cl 2156373707 JBENERHKUZCOSX-SJORKVTESA-N 472.788 4.163 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)c2cccc(NC(C)=O)c2)cc1 216657003 RIJMJYQVINWCNA-UHFFFAOYSA-N 475.501 4.363 70 10 JIIE O=C(Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)N1CCN(c2ccccc2F)CC1 217281421 SRYDPKKOMCCNKH-UHFFFAOYSA-N 450.514 4.109 70 10 JIIE O=C(c1cc(S(=O)(=O)Cl)cn1Cc1ccccc1)N1CC[C@@H](COCc2ccccc2)C1 384315249 UCYNGSAHBWICIL-OAQYLSRUSA-N 472.994 4.143 70 10 JIIE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H]2C[C@@]2([B-](F)(F)F)C1 2018402043 QOKDGBVZTLEXAO-VXCZRNDOSA-N 455.306 4.325 70 10 JIIE CN(C(=O)c1cc(S(=O)(=O)Cl)cn1Cc1ccccc1)[C@H]1CC[C@H]1OCc1ccccc1 2038743324 IVTZGJFBZQGPGW-JTHBVZDNSA-N 472.994 4.284 70 10 JIIE O=C(Nc1ccc(NC(=O)C(F)(F)F)cc1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 216754157 IPEZIIFEFJROJL-FQEVSTJZSA-N 481.430 4.033 70 10 JIIE O=C(Nc1ccc(C(F)(F)F)cc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 217312890 RWJNWPBSIJCINS-UHFFFAOYSA-N 463.865 4.024 70 10 JIIE CCC[C@H](COCc1cc(I)ccc1Cl)CS(=O)(=O)Cl 2380343756 ZGWUNYOENGVACT-SNVBAGLBSA-N 451.153 4.446 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)c2cccc(NC(C)=O)c2)cc1 216656953 CRRKSHZNPSBRMH-UHFFFAOYSA-N 475.501 4.363 70 10 JIIE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)N2CCC[C@@H]([B-](F)(F)F)C2)C1 2248509074 TZRBQKZAXHQRHI-GOSISDBHSA-N 455.306 4.280 70 10 JIIE O=S(=O)(Cl)c1cc(Br)c(OCCOCC(F)(F)F)c(Br)c1 105054631 KPYPCRIHNYSLMH-UHFFFAOYSA-N 476.492 4.097 70 10 JIIE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)N1CC[C@@H]2C[C@@]2([B-](F)(F)F)C1 2018400959 FFEAYWTYIGCDCN-JBYIUTFZSA-N 455.306 4.327 70 10 JIIE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)N2CCC[C@H]([B-](F)(F)F)C2)C1 2248509077 TZRBQKZAXHQRHI-SFHVURJKSA-N 455.306 4.280 70 10 JIIE COc1ccc(C(=O)NC2CCN(C(=O)[C@@H](C)Oc3ccccc3C(C)C)CC2)cc1OC 216889389 WQSVWRFYFYITMS-GOSISDBHSA-N 454.567 4.016 70 10 JIIE O=C(Nc1ccc(CNC(=O)C(F)(F)F)cc1)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 216791652 ZAZPOJMMOCCEQP-UHFFFAOYSA-N 473.451 4.046 70 10 JIIE CN(C(=O)c1cc(Br)cc(S(=O)(=O)Cl)c1)[C@@H]1CC[C@@H]1OCc1ccccc1 2156362040 CGHJAJCENNXYJB-MSOLQXFVSA-N 472.788 4.196 70 10 JIIE CCC[C@@H](COCc1ccc(Cl)cc1I)CS(=O)(=O)Cl 2365687658 ZXYKINHFSFVRNR-JTQLQIEISA-N 451.153 4.446 70 10 JIIE Cc1c(N2CCNCC2)cc(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1[B-](F)(F)F 1887521726 NMWUOPQNJNDRQO-UHFFFAOYSA-N 494.346 4.498 70 10 JIIE O=S(=O)(F)c1cc(Br)cc(Cl)c1OC[C@@]1(Br)CC1(F)F 2202511198 KZWHRHNTELNUAY-VIFPVBQESA-N 458.477 4.312 70 10 JIIE Cc1ncc([B-](F)(F)F)c(Sc2cc(I)ccc2Br)n1 2338307514 LGZXAHPXJWJBIO-UHFFFAOYSA-N 473.872 4.358 70 10 JIIE COc1ccc(C(=O)N2CCC(CNC(=O)[C@H](C)Oc3ccccc3C(C)C)CC2)cc1OC 216870815 NENGNTPCGFGEFN-IBGZPJMESA-N 468.594 4.263 70 10 JIIE O=C(Nc1ccsc1-c1nc(C2CC2)no1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 217286371 DYUUSQKTFKIDRI-UHFFFAOYSA-N 458.565 4.102 70 10 JIIE Cc1cc(S(=O)(=O)Nc2cnn(C[C@H]3COc4ccccc4O3)c2)c(Cl)cc1Cl 218298368 RUOGTJCWGXWXMU-AWEZNQCLSA-N 454.335 4.139 70 10 JIIE O=C(c1cc(Br)cc(S(=O)(=O)Cl)c1)N1CC[C@H](COCc2ccccc2)C1 384293020 ZJRKIMOQJHMORL-HNNXBMFYSA-N 472.788 4.056 70 10 JIIE CCOc1cc(C(=O)NCc2ccccc2NC(=O)C(F)(F)F)cc(OCC)c1OCC 216809439 QKSUTESRXYGBLD-UHFFFAOYSA-N 454.445 4.314 70 10 JIIE O=S(=O)(Cl)c1ccc(I)c(C(F)(F)F)c1OC(F)(F)F 2055119512 OINFMFLYEPLVCR-UHFFFAOYSA-N 454.513 4.136 70 10 JIIE CCOc1cc(C(=O)NCCn2nc(C(F)(F)F)c3c2CCCC3)cc(OCC)c1OCC 217532664 GELNOCTYCBJHSG-UHFFFAOYSA-N 469.504 4.407 70 10 JIIE O=S(=O)(F)c1cc(Br)c(OCC2CC(Br)C2)c(Br)c1 1887847306 ZJVNUOYXHUICDS-UHFFFAOYSA-N 480.975 4.422 70 10 JIIE O=S(=O)(Cl)CCCCCOCc1cc(I)ccc1Br 2341556160 AHSOQEMBTOOGFV-UHFFFAOYSA-N 481.577 4.309 70 10 JIIE COc1ccc(C(=O)NCC2CCN(C(=O)CCCOc3c(C)cccc3C)CC2)cc1OC 216871566 OPSDXWZUVMHMLT-UHFFFAOYSA-N 468.594 4.148 70 10 JIIE COC(C)(C)CCOc1c(Br)cc(S(=O)(=O)Cl)cc1Br 230938420 RWYFFWDDVCJRNO-UHFFFAOYSA-N 450.576 4.333 70 10 JIIE CN(CCCOCc1ccccc1)C(=O)c1ccc(Br)c(S(=O)(=O)Cl)c1 384275032 CWLNSXJJODDDHZ-UHFFFAOYSA-N 460.777 4.056 70 10 JIIE Cc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc(N)cc1OS(=O)(=O)F 1887578288 BHTRNOSKZLAEKE-UHFFFAOYSA-N 456.495 4.209 70 10 JIIE C[C@@H](CS(=O)(=O)Cl)c1cc(I)ccc1NC(=O)OC(C)(C)C 1952632485 MQYFUMWJHHXQTD-VIFPVBQESA-N 459.733 4.310 70 10 JIIE COc1ccc(C(=O)NC2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)cc1OC 216886892 XGIXZVZCDTTXHT-UHFFFAOYSA-N 458.558 4.257 70 10 JIIE COc1ccc(C(=O)NC2CCN(C(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)CC2)cc1OC 216889598 SCRMKJDPJUPPED-GOSISDBHSA-N 454.567 4.016 70 10 JIIE CC(C)Cn1c(-c2cc(Br)ccc2Br)nnc1S(=O)(=O)Cl 161350160 ZOEHNHYDBHQTEY-UHFFFAOYSA-N 457.575 4.054 70 10 JIIE C[C@H](Cc1cc(NC(=O)OC(C)(C)C)ccc1I)S(=O)(=O)Cl 1952831791 LOUSROIYLJPHMO-SECBINFHSA-N 459.733 4.138 70 10 JIIE Cc1c(Br)cc(C(=O)N[C@H]2CC[C@H]2OCc2ccccc2)cc1S(=O)(=O)Cl 2156373704 JBENERHKUZCOSX-DLBZAZTESA-N 472.788 4.163 70 10 JIIE CC(C)(C)n1c(-c2scc(Br)c2Br)nnc1S(=O)(=O)Cl 705512159 MXKWUCXALQZPAO-UHFFFAOYSA-N 463.604 4.214 70 10 JIIE CCN(CCCOCc1ccccc1)C(=O)c1cc(S(=O)(=O)Cl)c(Br)o1 2096856176 ZBWKEPWYBVVMHF-UHFFFAOYSA-N 464.765 4.039 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)Cc3ccc(OC)c(OC)c3)c2)cc1 216688592 WEVBWNCFCZUJBB-UHFFFAOYSA-N 492.528 4.350 70 10 JIIE COc1ccc(OC)c(-c2cc(C(=O)NCc3ccc(C(=O)c4ccsc4)s3)n(C)n2)c1 217293544 NTXYLGPPHUDJHV-UHFFFAOYSA-N 467.572 4.388 70 10 JIIE O=S(=O)(Cl)C[C@@H](COCc1ccc(I)c(Br)c1)C1CC1 2377641543 HIDGGAFCWLTNQG-LLVKDONJSA-N 493.588 4.165 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)Cc3ccccc3OC)c2)cc1 216689115 WFUSRAOOMGBGAT-UHFFFAOYSA-N 462.502 4.342 70 10 JIIE CC[C@@H](COc1cc(Br)cc(I)c1)CS(=O)(=O)Cl 2316709525 MLSWMJVZLWZRBR-QMMMGPOBSA-N 467.550 4.027 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)Cc3ccccc3F)cc2)cc1 216639266 GYKKHXITTVMBSP-UHFFFAOYSA-N 450.466 4.472 70 10 JIIE Cc1cc(C(=O)NC2CC(OCc3ccccc3)C2)cc(S(=O)(=O)Cl)c1Br 716198970 XBRYLXJOQCANOI-UHFFFAOYSA-N 472.788 4.163 70 10 JIIE O=S(=O)(Cl)c1c(OC(F)(F)F)ccc(I)c1C(F)(F)F 2055151704 PCRCUTLNVUKFLA-UHFFFAOYSA-N 454.513 4.136 70 10 JIIE COc1ccccc1OCC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 218481374 GMYNQSBNSYVGEJ-UHFFFAOYSA-N 452.501 4.286 70 10 JIIE Cc1cc2c(c(S(=O)(=O)Cl)c1Br)CN(C(=O)OCc1ccccc1)CC2 675080821 WHRMLMRUQGYMHZ-UHFFFAOYSA-N 458.761 4.380 70 10 JIIE C[C@@H](CCOCc1ccc(Cl)cc1I)CCS(=O)(=O)Cl 2365679421 JLDSKXZFHJLOSE-JTQLQIEISA-N 451.153 4.446 70 10 JIIE CN(C(=O)c1cc(Br)cc(S(=O)(=O)Cl)c1)[C@H]1CC[C@H]1OCc1ccccc1 2156362072 CGHJAJCENNXYJB-ZWKOTPCHSA-N 472.788 4.196 70 10 JIIE Cc1c(NC(=O)OCC2c3ccccc3-c3ccccc32)cc(CN)cc1OS(=O)(=O)F 1887522091 AYVIOAYWUGLWFY-UHFFFAOYSA-N 456.495 4.408 70 10 JIIE CC(C)OCCCOc1c(Br)cc(S(=O)(=O)Cl)cc1Br 689428881 VRGBGZFXFYZHEI-UHFFFAOYSA-N 450.576 4.333 70 10 JIIE CC1(C)C[C@H](NC(=O)c2cc(S(=O)(=O)Cl)c(Br)o2)[C@H]1OCc1ccccc1 2156378614 VNYSHMKXLAFMGL-SWLSCSKDSA-N 476.776 4.083 70 10 JIIE Cc1cc(C)n(CC(=O)Oc2c(Br)cc(Br)cc2Br)n1 216787624 IARLCZBGQRGOOD-UHFFFAOYSA-N 466.955 4.393 70 10 JIIE Cc1cc(Br)ccc1NC(=O)NCCCN1C(=O)c2ccc(Br)cc2C1=O 217306695 CEPRDSRDMPCCDK-UHFFFAOYSA-N 495.171 4.328 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)Cc3ccc(OC)cc3)c2)cc1 216674574 BBNFIPMNCNVAOR-UHFFFAOYSA-N 462.502 4.342 70 10 JIIE C[C@@H](CCOc1cc(Br)cc(I)c1)CCS(=O)(=O)Cl 2338894247 AHZZGFHWLHHJOX-VIFPVBQESA-N 481.577 4.417 70 10 JIIE COc1ccc(C(=O)N2CCC(CNC(=O)CCc3cccc(Br)c3)CC2)cc1OC 216881894 IRQMRBOBQCCYIS-UHFFFAOYSA-N 489.410 4.068 70 10 JIIE O=C(NCCCN1C(=O)c2ccc(Br)cc2C1=O)Nc1ccc(Br)cc1 217306359 LISJCOZIEGFZHJ-UHFFFAOYSA-N 481.144 4.019 70 10 JIIE O=S(=O)(Cl)c1cc(OC(F)(F)F)c(I)cc1C(F)(F)F 2055151392 HETBEMDSFWUHNP-UHFFFAOYSA-N 454.513 4.136 70 10 JIIE COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1ccccc1C(=O)c1ccc(F)cc1 217926075 DWMSWGWOUYVYPZ-GCJKJVERSA-N 465.452 4.031 70 10 JIIE COc1ccc(C(=O)Nc2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc1OC 216897547 XTZXDRGRUGUOMC-UHFFFAOYSA-N 466.490 4.234 70 10 JIIE CN1CCN(c2ccc(NC(=O)NCCCOc3ccc(Br)cc3Cl)cc2)CC1 217299055 OLMCCWMZZVKDJF-UHFFFAOYSA-N 481.822 4.445 70 10 JIIE C[C@@H](Cc1cc(NC(=O)OC(C)(C)C)ccc1I)S(=O)(=O)Cl 1952831792 LOUSROIYLJPHMO-VIFPVBQESA-N 459.733 4.138 70 10 JIIE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)N1CC[C@H]2C[C@]2([B-](F)(F)F)C1 2018400977 FFEAYWTYIGCDCN-SVMVAKDDSA-N 455.306 4.327 70 10 JIIE O=C(CCc1cc(Br)ccc1OC(F)F)NC[C@@H]1CCCN(c2nccs2)C1 218141173 BUWWQKRVMDPPHQ-ZDUSSCGKSA-N 474.371 4.472 70 10 JIIE CN1CCN(c2ccc(NC(=O)Nc3ccc4c(c3)C(=O)N(C3CCCCC3)C4=O)cc2)CC1 217281330 PJYGSRMRWNSMGD-UHFFFAOYSA-N 461.566 4.011 70 10 JIIE C[C@@H](COc1c(Br)cc(S(=O)(=O)F)cc1Br)P(C)(C)=O 2204721291 VKVMUOZEDWLDAX-ZETCQYMHSA-N 452.076 4.260 70 10 JIIE O=C(Nc1ccc(S(=O)(=O)Cl)c(Cl)c1)c1ccccc1I 59060095 OKXTYOAYINQWBT-UHFFFAOYSA-N 456.088 4.124 70 10 JIIE F[B-](F)(F)c1cnc(N2CC[C@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c(Br)c1 2172767377 SXZPHRDDTYGDJK-IAGOWNOFSA-N 453.135 4.247 70 10 JIIE Cc1c(C)c(C)c(S(=O)(=O)NCCn2nc(-c3ccncc3)c3c2CCCC3)c(C)c1C 217467740 SVKJSEYMCUEISM-UHFFFAOYSA-N 452.624 4.345 70 10 JIIE Cc1cccc(COc2c(Br)cc(S(=O)(=O)Cl)cc2Br)n1 215862591 LJDWLQJVUIBDKF-UHFFFAOYSA-N 455.555 4.422 70 10 JIIE Cc1c(Br)cc(C(=O)N2CC[C@H](OCc3ccccc3)C2)cc1S(=O)(=O)Cl 384284380 PZCATJURZUCRMQ-INIZCTEOSA-N 472.788 4.116 70 10 JIIE CC[C@@H](NS(=O)(=O)c1cc(Br)c(C)cc1Br)c1nccs1 159664356 CQNMYMHQYUESMF-LLVKDONJSA-N 454.209 4.406 70 10 JIIE CCOc1ccc(CCNC(=O)Nc2ccc(I)cc2C)cc1OC 217308216 HVFWSXVSWDMFBW-UHFFFAOYSA-N 454.308 4.371 70 10 JIIE O=C(NCc1cc(N2CCNCC2)cc([B-](F)(F)F)c1)OCC1c2ccccc2-c2ccccc21 1887522161 HCCIJTSTNHAPQS-UHFFFAOYSA-N 480.319 4.189 70 10 JIIE Cc1c(CN)cc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1OS(=O)(=O)F 1887522180 ITTHRFZOMILSCH-UHFFFAOYSA-N 456.495 4.408 70 10 JIIE Cc1c(Br)cc(C(=O)N[C@H]2CC[C@@H]2OCc2ccccc2)cc1S(=O)(=O)Cl 2156373706 JBENERHKUZCOSX-IRXDYDNUSA-N 472.788 4.163 70 10 JIIE CC(C)(C)OC(=O)Nc1ccc(I)cc1C(C)(C)CS(=O)(=O)Cl 1952634007 YBOAHLYCSHZXMW-UHFFFAOYSA-N 473.760 4.484 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)Cc3ccc(F)cc3)c2)cc1 216674307 ACMFKSMMNIYITK-UHFFFAOYSA-N 450.466 4.472 70 10 JIIE Cc1cc2ncc(CCCNC(=O)CCc3cc(Br)ccc3OC(F)F)cn2n1 218022835 MGEIERIKLNZKGL-UHFFFAOYSA-N 467.314 4.083 70 10 JIIE CCOc1cc(C(=O)Nc2cccc(CNC(=O)C(F)(F)F)c2)cc(OCC)c1OCC 216831309 PTSYEIWTTNOEHH-UHFFFAOYSA-N 454.445 4.314 70 10 JIIE C[C@@H](Cc1cc(I)ccc1NC(=O)OC(C)(C)C)S(=O)(=O)Cl 1952733703 ZGCYZGJLOWYRSX-VIFPVBQESA-N 459.733 4.138 70 10 JIIE O=S(=O)(Cl)c1ccc(I)c(OC(F)(F)F)c1C(F)(F)F 2055119236 HSJYKNWINNKRHO-UHFFFAOYSA-N 454.513 4.136 70 10 JIIE O=S(=O)(Cl)C[C@@H](COCc1cc(I)ccc1Br)C1CC1 2367288532 RTBIUFXSNATVRI-LLVKDONJSA-N 493.588 4.165 70 10 JIIE O=C(Nc1ccc(S(=O)(=O)Cl)cc1Cl)c1ccccc1I 59060219 BCWKNVQLWKVOMF-UHFFFAOYSA-N 456.088 4.124 70 10 JIIE O=C(Nc1ccc(OS(=O)(=O)F)c(C(=O)O)c1)OCC1c2ccccc2-c2ccccc21 1887597984 BTZTWDGFLUDXRE-UHFFFAOYSA-N 457.435 4.339 70 10 JIIE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)N2CC[C@](C)([B-](F)(F)F)C2)C1 2303108956 MQAWFTGZNIDTNF-NRFANRHFSA-N 455.306 4.280 70 10 JIIE N[C@H](c1cc(Br)ccc1Br)c1cc2[nH]c(=O)[nH]c2cc1Br 159863957 VEPTXXOPJQXHMG-CYBMUJFWSA-N 475.966 4.192 70 10 JIIE Cc1cc(Br)cc(S(=O)(=O)Cl)c1OC[C@]1(Br)CC1(F)F 2202502724 DWNGRMMCOIJJDJ-SNVBAGLBSA-N 454.514 4.237 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)COc3ccc(C)cc3)cc2)cc1 216636397 UHKMQXAWGUFKTJ-UHFFFAOYSA-N 462.502 4.478 70 10 JIIE O=S(=O)(Cl)c1cc(Br)c(OCC(F)(F)C(F)F)c(Br)c1 301135996 SYMDORXAXHSFBA-UHFFFAOYSA-N 464.456 4.418 70 10 JIIE O=C(c1ccc(Br)c(S(=O)(=O)Cl)c1)N1CCC[C@H](OCc2ccccc2)C1 2186379908 DRFLMQBVTMELKO-INIZCTEOSA-N 472.788 4.198 70 10 JIIE COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)CCc1c(OC)ccc2ccccc12 217914726 WSGMOHNJTDOMPL-PGRDOPGGSA-N 451.494 4.142 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)c2c(OC)cccc2OC)cc1 216649312 XLKGTFFTOIOALO-UHFFFAOYSA-N 478.501 4.421 70 10 JIIE Cc1ccc(OCNC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c(C(C)(C)C)c1 217290053 MNBOLWXYCJTFQB-UHFFFAOYSA-N 496.029 4.125 70 10 JIIE F[B-](F)(F)c1cnc(N2CC[C@]3(CCCN(Cc4ccccc4)C3)C2)c(Br)c1 2172769188 UGFMVSVGDVUJNI-FQEVSTJZSA-N 453.135 4.391 70 10 JIIE COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1cc(Br)ccc1Cl 217938108 SYYFPSNVEDKBDD-WBMJQRKESA-N 456.695 4.077 70 10 JIIE CCOc1cc(C(=O)Nc2cnn(C[C@@H]3COc4ccccc4O3)c2)cc(OCC)c1OCC 218259662 JBGIFDSOECDRQL-LJQANCHMSA-N 467.522 4.172 70 10 JIIE CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)C(=O)N1CC[C@H]([B-](F)(F)F)C1 2368348164 IFFVMBYEPNYMID-DZGCQCFKSA-N 464.111 4.335 70 10 JIIE COc1ccc(C(=O)NCC2CCN(C(=O)/C=C/c3ccccc3Br)CC2)cc1OC 216883233 XVUADNQHRLYFAR-CSKARUKUSA-N 487.394 4.148 70 10 JIIE CC(C)(C)OC(=O)NC1(C(=O)N2CC[C@@H]3C[C@@]3([B-](F)(F)F)C2)CCN(Cc2ccccc2)CC1 1879740317 PAKHFWREWSKAQY-AUSIDOKSSA-N 480.360 4.386 70 10 JIIE COc1ccc(C(=O)N2CCC(NC(=O)[C@H](C)Oc3ccccc3C(C)C)CC2)cc1OC 216889538 CCUZGRHILYJIQB-SFHVURJKSA-N 454.567 4.016 70 10 JIIE CC(C)(C)c1ccc(OCCCNC(=O)N2CCN(C(=O)c3ccco3)CC2)c(Br)c1 217298747 WMOIOQBTOOGFQN-UHFFFAOYSA-N 492.414 4.276 70 10 JIIE CCN(CC)c1ccc(NC(=O)NCCCN2C(=O)c3ccc(Br)cc3C2=O)c(C)c1 217306683 ODUOFAAFZVVGLQ-UHFFFAOYSA-N 487.398 4.412 70 10 JIIE O=S(=O)(Cl)c1cc(I)c(C(F)(F)F)cc1OC(F)(F)F 2055120775 RMKSFELEJBTENA-UHFFFAOYSA-N 454.513 4.136 70 10 JIIE O=S(=O)(Cl)c1cc(OC(F)(F)F)cc(C(F)(F)F)c1I 2055156233 RKYIHHRGCBPQKW-UHFFFAOYSA-N 454.513 4.136 70 10 JIIE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1Br)C(=O)N1CC[C@H]([B-](F)(F)F)C1 2368348542 DLIRLPXUZOTUIT-DZGCQCFKSA-N 464.111 4.335 70 10 JIIE Cc1ccc(NC(=O)NCCCN2C(=O)c3ccc(Br)cc3C2=O)cc1Cl 217306376 FIJCONAISLTAAP-UHFFFAOYSA-N 450.720 4.219 70 10 JIIE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)Nc2ccccc2S(=O)(=O)F)C1 2181137024 LWMCZSKRNGZMLO-DEOSSOPVSA-N 492.569 4.127 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)[C@@H](C)Oc2ccc(O)cc2)cc1 216651484 UAOGQTQITHVLKT-QGZVFWFLSA-N 478.501 4.264 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)Cc2cccc(F)c2)cc1 216665457 CAPJZRXOKQDAMU-UHFFFAOYSA-N 450.466 4.472 70 10 JIIE COc1ccc(C(=O)NCC2CCN(C(=O)/C=C/c3ccc(Br)cc3)CC2)cc1OC 216884470 XVTBBOIQMODATL-BJMVGYQFSA-N 487.394 4.148 70 10 JIIE O=S(=O)(c1cc(Br)sc1Br)N1CC[C@H]2C[C@@]2([B-](F)(F)F)C1 2194170457 FQRGCHZYLIEKQL-QUBYGPBYSA-N 467.943 4.275 70 10 JIIE COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1S(=O)(=O)c1ccc(Oc2ccccc2C)cc1 218004139 IHGQBOBFYGHHCT-DENIHFKCSA-N 485.533 4.310 70 10 JIIE O=S(=O)(Cl)c1c(OC(F)(F)F)ccc(C(F)(F)F)c1I 2055162011 GNPMOTYHONNZEN-UHFFFAOYSA-N 454.513 4.136 70 10 JIIE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2C[C@@]2([B-](F)(F)F)C1 2018402038 QOKDGBVZTLEXAO-ABXWHYIOSA-N 455.306 4.325 70 10 JIIE F[B-](F)(F)c1cncnc1Sc1cc(I)ccc1Br 2316392876 GRVLVIXAQYWRNI-UHFFFAOYSA-N 459.845 4.049 70 10 JIIE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)c1ncc(OS(=O)(=O)C(F)(F)F)s1 207615851 MNLWPUFLEKLETN-GFCCVEGCSA-N 452.476 4.180 70 10 JIIE COc1ccc(C(=O)NCC2CCN(C(=O)COc3ccc(C)cc3C(C)(C)C)CC2)cc1OC 216870505 JMJMQEUCCYMFOY-UHFFFAOYSA-N 482.621 4.357 70 10 JIIE CC(C)(C)OC(=O)Nc1ccc(I)c(C(C)(C)CS(=O)(=O)Cl)c1 1952741257 IRMBONZGIVGZFY-UHFFFAOYSA-N 473.760 4.484 70 10 JIIE O=C(Nc1ccc(NC(=O)C(F)(F)F)cc1)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 216754432 UVERXASBOXLRMC-UHFFFAOYSA-N 459.424 4.368 70 10 JIIE COc1ccc(C(=O)N2CCC(CNC(=O)/C=C/c3cccc(Br)c3)CC2)cc1OC 216883927 VFTYMHXLOJXARQ-RMKNXTFCSA-N 487.394 4.148 70 10 JIIE COc1cc(-c2cc(C(=O)Nc3ccsc3-c3nc(C4CC4)no3)[nH]n2)cc(OC)c1OC 217286497 QBKCQOHHLOTRMI-UHFFFAOYSA-N 467.507 4.344 70 10 JIIE CN1CCc2nc(NC(=O)NCCCOc3ccc(Br)cc3Cl)sc2C1 217299075 JHWAQLQEPUISPL-UHFFFAOYSA-N 459.797 4.138 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)c2ccc3[nH]cnc3c2)cc1 216657791 SWXNRBSTTVROFK-UHFFFAOYSA-N 458.474 4.281 70 10 JIIE CN(CCOCc1ccccc1)C(=O)c1cc(Cl)c(Br)c(S(=O)(=O)Cl)c1 384286459 OPYWKFRICLDGTO-UHFFFAOYSA-N 481.195 4.319 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)Cc3ccccc3OC)c2)cc1 216689180 NFDXFABZHWPQPV-UHFFFAOYSA-N 462.502 4.342 70 10 JIIE O=C(NCCCN1C(=O)c2ccc(Br)cc2C1=O)Nc1ccc(C(F)(F)F)cc1 217306711 VMPOGHDGHZPJJC-UHFFFAOYSA-N 470.245 4.276 70 10 JIIE Cc1c(C[B-](F)(F)F)c(C)c(N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1OS(=O)(=O)F 1887511119 BQSRQRMZTBXGMR-UHFFFAOYSA-N 483.313 4.191 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)Cc2ccccc2F)cc1 216664804 SMJWQVQQEXBILI-UHFFFAOYSA-N 450.466 4.472 70 10 JIIE CCN(CCCOCc1ccccc1)C(=O)c1ccc(Br)c(S(=O)(=O)Cl)c1 2153197306 UFTWYTWRVRENMH-UHFFFAOYSA-N 474.804 4.446 70 10 JIIE COc1ccc(C(=O)NCC2CCN(C(=O)CCCOc3ccccc3Cl)CC2)cc1OC 216872031 LXUXGZVROVYGHX-UHFFFAOYSA-N 474.985 4.185 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)Cc2cccc(OC)c2)cc1 216665313 FZZQCCSTYFCPFE-UHFFFAOYSA-N 462.502 4.342 70 10 JIIE Cc1ccc(NC(=O)NCCCN2C(=O)c3ccc(Br)cc3C2=O)c(Br)c1 217306694 DSQRRYMXJLVNJX-UHFFFAOYSA-N 495.171 4.328 70 10 JIIE CN(CCOCc1ccccc1)C(=O)c1cc(S(=O)(=O)Cl)c(Br)cc1Cl 384293259 YMTQZNXAYSUWAH-UHFFFAOYSA-N 481.195 4.319 70 10 JIIE C[C@@H](NC(=O)NCCCN1C(=O)c2ccc(Br)cc2C1=O)C12CC3CC(CC(C3)C1)C2 217306434 HYPKRFKATXHYHP-ZJRYTYELSA-N 488.426 4.339 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)Cc3cccc(F)c3)c2)cc1 216689958 VXBVTUPPAUCMID-UHFFFAOYSA-N 450.466 4.472 70 10 JIIE COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1c(-c2ccccc2Cl)noc1C 217897627 ISSBCFUXQHBEQR-RDTXWAMCSA-N 458.873 4.278 70 10 JIIE CC(C)(C)OC(=O)Nc1ccc(I)c(C(C)(C)S(=O)(=O)Cl)c1 1952831018 CHVZFHVRCBSZSU-UHFFFAOYSA-N 459.733 4.442 70 10 JIIE COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1ccc2noc(-c3ccccc3)c2c1 217944936 XWEIYTKRPOUJOT-PGRDOPGGSA-N 460.461 4.469 70 10 JIIE Cc1cc(C(=O)N(C)CCCOCc2ccccc2)cc(S(=O)(=O)Cl)c1Br 384306270 DHJRDJLFYFJBJB-UHFFFAOYSA-N 474.804 4.364 70 10 JIIE COc1ccc(C(=O)NCC2CCN(C(=O)CCc3ccccc3Br)CC2)cc1OC 216881238 LVCIPMCONPALBP-UHFFFAOYSA-N 489.410 4.068 70 10 JIIE O=S(=O)(Cl)c1ccc(C(F)(F)F)c(OC(F)(F)F)c1I 2055151492 JHZAJPLWFQLQNR-UHFFFAOYSA-N 454.513 4.136 70 10 JIIE COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1ccc2noc(-c3ccccc3)c2c1 217944845 XWEIYTKRPOUJOT-AVRDEDQJSA-N 460.461 4.469 70 10 JIIE Cc1c(Br)cc(C(=O)N2CC[C@@H](OCc3ccccc3)C2)cc1S(=O)(=O)Cl 384284384 PZCATJURZUCRMQ-MRXNPFEDSA-N 472.788 4.116 70 10 JIIE O=C(NCc1cccc(NC(=O)C(F)(F)F)c1)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 216833222 NZJSHVFCEBUYDU-UHFFFAOYSA-N 473.451 4.046 70 10 JIIE COc1ccc(C(=O)N2CCC(CNC(=O)COc3ccc(C)cc3C(C)(C)C)CC2)cc1OC 216870542 ZFTYEMWZBYEBHN-UHFFFAOYSA-N 482.621 4.357 70 10 JIIE CCC[C@@H](COCc1cc(I)ccc1Cl)CS(=O)(=O)Cl 2380343755 ZGWUNYOENGVACT-JTQLQIEISA-N 451.153 4.446 70 10 JIIE CCOc1ccc(CCNC(=O)Nc2ccc3c(c2)C(=O)N(C(C)(C)C)C3=O)cc1OCC 217280525 HHTIIFHPNLCRSY-UHFFFAOYSA-N 453.539 4.243 70 10 JIIE O=C(NCCCOc1ccc(Br)cc1Cl)NC[C@@H]1COc2ccccc2O1 217299145 RWIZQUIUVKKFTL-CQSZACIVSA-N 455.736 4.011 70 10 JIIE COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1cc(Br)ccc1Cl 217938173 SYYFPSNVEDKBDD-MLGOLLRUSA-N 456.695 4.077 70 10 JIIE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)N1CC[C@H]2C[C@@]2([B-](F)(F)F)C1 2018400970 FFEAYWTYIGCDCN-NPPFBWRTSA-N 455.306 4.327 70 10 JIIE Cc1cc(I)ccc1NC(=O)N[C@H]1CC(=O)N([C@H](C)c2ccccc2)C1 217283886 DIAGUSCPVVHUQZ-PBHICJAKSA-N 463.319 4.083 70 10 JIIE COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1S(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1 218005024 XQCUAOCSIHINDO-SIKLNZKXSA-N 473.497 4.015 70 10 JIIE COCCOCCOCCOCCC[Si](Cl)(Cl)C[Si](Cl)(Cl)Cl 220836063 ZCPFEUDEMJFAJM-UHFFFAOYSA-N 452.738 4.187 70 10 JIIE CC(C)(C)OC(=O)Nc1ccc(I)cc1C=CCS(=O)(=O)Cl 1952448943 VGSFOKJZAOMJSK-UHFFFAOYSA-N 457.717 4.220 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)Cc2ccccc2F)cc1 216664875 FQBVCGKYDHKCHC-UHFFFAOYSA-N 450.466 4.472 70 10 JIIE Cc1cc(NC(=O)NCCCN2C(=O)c3ccc(Br)cc3C2=O)ccc1Br 217306696 ABWVRVPIVGUJMQ-UHFFFAOYSA-N 495.171 4.328 70 10 JIIE O=C(Nc1ccc(S(=O)(=O)Cl)cc1)c1cc(Br)ccc1Br 159728435 WXJQOCXTGZTMRS-UHFFFAOYSA-N 453.539 4.391 70 10 JIIE O=C(c1cc(Br)ccc1I)N1CCC[C@@H](C(F)(F)F)C1 218207275 FHDXWBOGYZNVHQ-MRVPVSSYSA-N 462.047 4.468 70 10 JIIE O=S(=O)(Cl)c1cc(I)c(C(F)(F)F)c(OC(F)(F)F)c1 2055151215 CGSRTZFFPBBEIA-UHFFFAOYSA-N 454.513 4.136 70 10 JIIE CCCOCCCOc1c(Br)cc(S(=O)(=O)Cl)cc1Br 2149031128 RUTGLUPMHAJWEA-UHFFFAOYSA-N 450.576 4.335 70 10 JIIE O=C(CCNC(=O)OCC1c2ccccc2-c2ccccc21)Nc1ccccc1S(=O)(=O)F 2243929330 RSVBIRZTZKMXOB-UHFFFAOYSA-N 468.506 4.212 70 10 JIIE O=S(=O)(c1cc(Br)sc1Br)N1CC[C@@H]2C[C@]2([B-](F)(F)F)C1 2194170455 FQRGCHZYLIEKQL-LDWIPMOCSA-N 467.943 4.275 70 10 JIIE O=c1[nH]c(-c2ccc(Cl)c(Br)c2)nc(C2CC2)c1I 160727333 ISOMVKIAXZAVFY-UHFFFAOYSA-N 451.489 4.335 70 10 JIIE COc1ccccc1Oc1ccc(S(=O)(=O)NC[C@@H]2CCCN(c3nccs3)C2)cc1 218192034 MRAAJYFKAXTDIL-KRWDZBQOSA-N 459.593 4.139 70 10 JIIE O=C(c1cc(Br)cc(S(=O)(=O)Cl)c1Cl)N1CC[C@@H](OCc2ccccc2)C1 384281244 GSPHXCIMDGCJBV-CQSZACIVSA-N 493.206 4.461 70 10 JIIE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1Br)C(=O)N1CC[C@@H]([B-](F)(F)F)C1 2368348544 DLIRLPXUZOTUIT-UKRRQHHQSA-N 464.111 4.335 70 10 JIIE C[C@H](c1ccccc1)N1C[C@@H](NC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1=O 217283590 HQJXHQNZNRDRCY-KCWPFWIISA-N 482.628 4.465 70 10 JIIE COc1cc(Br)c(OCC(C)(C)CS(=O)(=O)Cl)cc1Br 118819374 ALNZVVPPDZFQIV-UHFFFAOYSA-N 450.576 4.194 70 10 JIIE C[C@@H](NC(=O)NCCCN1C(=O)c2ccc(Br)cc2C1=O)c1ccc2c(c1)CCCC2 217306461 KMKKYDXWKAWSNS-OAHLLOKOSA-N 484.394 4.374 70 10 JIIE COc1ccc(CCC(=O)NC[C@@H]2CCCN2c2nccs2)cc1OCc1ccccc1 217746646 QLAXXDCMLVVETK-NRFANRHFSA-N 451.592 4.449 70 10 JIIE C=C(Br)COc1c(Br)cc(S(=O)(=O)F)cc1Br 2016796113 NJILFRXCPOAAGV-UHFFFAOYSA-N 452.921 4.157 70 10 JIIE CC1(C)C[C@@H](NC(=O)c2cc(S(=O)(=O)Cl)c(Br)o2)[C@H]1OCc1ccccc1 2156378612 VNYSHMKXLAFMGL-IUODEOHRSA-N 476.776 4.083 70 10 JIIE Cc1nc(Sc2cc(I)ccc2Br)ncc1[B-](F)(F)F 2338309706 ZCTMTPAJKFHCNR-UHFFFAOYSA-N 473.872 4.358 70 10 JIIE O=C(CCc1cc(Br)ccc1OC(F)F)NC[C@@H]1CCCN1c1nccs1 217751353 UDZIQLYTZMDGCT-AWEZNQCLSA-N 460.344 4.225 70 10 JIIE Cc1c(C(=O)N[C@H]2CC[C@H]2OCc2ccccc2)cc(Br)cc1S(=O)(=O)Cl 2156378402 UUQKWHQYBUFJPP-DLBZAZTESA-N 472.788 4.163 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)COc3ccc(C)cc3)cc2)cc1 216636331 YQYANTDGIYQEBI-UHFFFAOYSA-N 462.502 4.478 70 10 JIIE COc1ccc(C(=O)NCC2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1OC 216873974 QSJNYKIWNIEUMG-UHFFFAOYSA-N 450.457 4.005 70 10 JIIE CC(C)Cn1c(-c2cc(Br)c(Br)s2)nnc1S(=O)(=O)Cl 158242650 YSTTVJUTFABYFW-UHFFFAOYSA-N 463.604 4.115 70 10 JIIE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)N1CC[C@@H]2C[C@@]2([B-](F)(F)F)C1 2018400962 FFEAYWTYIGCDCN-KGVIQGDOSA-N 455.306 4.327 70 10 JIIE O=C(NCCCOc1ccc(Br)cc1Cl)N1CCN(Cc2ccccc2)CC1 217298950 HEISHDJNIDNOEI-UHFFFAOYSA-N 466.807 4.399 70 10 JIIE C#Cc1ccc([C@@H](OC(=O)c2cc(Cl)c(S(=O)(=O)F)cc2OC)C(F)(F)F)cc1 1521344632 WMCMZZWURUQXSV-MRXNPFEDSA-N 450.793 4.449 70 10 JIIE CCN(CCCOCc1ccccc1)C(=O)c1cc(Br)cc(S(=O)(=O)Cl)c1 2153194062 FVKCNASNMBQZBV-UHFFFAOYSA-N 474.804 4.446 70 10 JIIE CC1(C)CC[C@@H](COc2c(Br)cc(S(=O)(=O)Cl)cc2Br)O1 160168706 GBQRJHQBDOZOJZ-QMMMGPOBSA-N 462.587 4.476 70 10 JIIE Cn1cc(C(=O)c2cccc(I)c2)cc1C(=O)C(Cl)(Cl)Cl 160882032 SLKOVVLQCDCAME-UHFFFAOYSA-N 456.494 4.414 70 10 JIIE Cc1cc(Br)cc(S(=O)(=O)Cl)c1OCc1ccc(Br)cn1 166853697 UPNPEVBIFNKYRD-UHFFFAOYSA-N 455.555 4.422 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)[C@H](C)Oc2ccc(O)cc2)cc1 216651421 RHNBPCYZCTXLBB-KRWDZBQOSA-N 478.501 4.264 70 10 JIIE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)N1CC[C@H]([B-](F)(F)F)C1 2368349450 IFFVMBYEPNYMID-ZFWWWQNUSA-N 464.111 4.335 70 10 JIIE O=C(c1cc(S(=O)(=O)Cl)ccc1Br)N1CC[C@@H](COCc2ccccc2)C1 384315739 UZWPNGXALJTACQ-OAHLLOKOSA-N 472.788 4.056 70 10 JIIE Cc1cnc(COc2c(Br)cc(S(=O)(=O)Cl)cc2Br)s1 2143797566 PAFKKMIAWHVYHA-UHFFFAOYSA-N 461.584 4.483 70 10 JIIE C[C@]1(C2CC2)CN(c2ncc([B-](F)(F)F)cc2Br)CCN1Cc1ccccc1 2172771418 ZLZFFTDGTLITFH-HXUWFJFHSA-N 453.135 4.389 70 10 JIIE COc1ccc(C(=O)NCC2CCN(C(=O)CCc3ccc(Br)cc3)CC2)cc1OC 216882200 SROLRDMJDREWAL-UHFFFAOYSA-N 489.410 4.068 70 10 JIIE O=S(=O)(Cl)c1c(I)cc(C(F)(F)F)cc1OC(F)(F)F 2055163576 UVOVCHCBZHFVLA-UHFFFAOYSA-N 454.513 4.136 70 10 JIIE O=C(NCCCN1C(=O)c2ccc(Br)cc2C1=O)Nc1cccc2ccccc12 217306606 WFBYGVZYMLRBTK-UHFFFAOYSA-N 452.308 4.410 70 10 JIIE Cc1cc(Br)cc(S(=O)(=O)F)c1OC[C@@H]1CC1(Br)Br 2224809808 VERUANGJLMSBBC-ZETCQYMHSA-N 480.975 4.301 70 10 JIIE O=S(=O)(Cl)c1cc(Br)c(OC[C@]2(Br)CC2(F)F)cc1F 2202506124 QQOLWDGQENSAHV-SECBINFHSA-N 458.477 4.067 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)Cc3ccc(F)cc3)c2)cc1 216674235 JEXOBIPUUSNGGW-UHFFFAOYSA-N 450.466 4.472 70 10 JIIE COc1ccccc1Oc1ccc(S(=O)(=O)N2CCC[C@]3(C2)OC(=O)c2ccccc23)cc1 217628905 CLFGCLHNFOMGSG-RUZDIDTESA-N 465.527 4.338 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)c3cccc(NC(C)=O)c3)c2)cc1 216681499 HHHMNGHFZUTFFE-UHFFFAOYSA-N 475.501 4.363 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)c3ccc4[nH]cnc4c3)c2)cc1 216682501 FJROTIRHARYELU-UHFFFAOYSA-N 458.474 4.281 70 10 JIIE CCOc1cc(C(=O)NCc2ccc(NC(=O)C(F)(F)F)cc2)cc(OCC)c1OCC 216789576 ABZRDORYCWQRRC-UHFFFAOYSA-N 454.445 4.314 70 10 JIIE CC1(C)C[C@@H](NC(=O)c2cc(S(=O)(=O)Cl)c(Br)o2)[C@@H]1OCc1ccccc1 2156378610 VNYSHMKXLAFMGL-DOMZBBRYSA-N 476.776 4.083 70 10 JIIE C[C@H](NC(=O)NCCCN1C(=O)c2ccc(Br)cc2C1=O)C12CC3CC(CC(C3)C1)C2 217306435 HYPKRFKATXHYHP-IOAHRDFVSA-N 488.426 4.339 70 10 JIIE CC(C)[C@H](COc1cc(Br)cc(I)c1)CS(=O)(=O)Cl 2338706649 ZSFDDJNAEBRYED-SECBINFHSA-N 481.577 4.273 70 10 JIIE CN(CCCOCc1ccccc1)C(=O)c1cc(F)cc(S(=O)(=O)Cl)c1Br 384318446 ZKKOUPWJOOLYAG-UHFFFAOYSA-N 478.767 4.195 70 10 JIIE O=C(Nc1ccc(S(=O)(=O)Cl)c(Cl)c1)c1ccc(I)cc1 59082070 WHNYMWLSWJFOHV-UHFFFAOYSA-N 456.088 4.124 70 10 JIIE CC(C)(C)n1c(-c2csc(Br)c2Br)nnc1S(=O)(=O)Cl 2150375795 RGLKNMBCPAKXIF-UHFFFAOYSA-N 463.604 4.214 70 10 JIIE O=C(c1cc(S(=O)(=O)Cl)cn1Cc1ccccc1)N1CCC[C@@H](OCc2ccccc2)C1 2066303561 HGXFSVFXCHTULG-OAQYLSRUSA-N 472.994 4.285 70 10 JIIE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)N2CC[C@@H]3C[C@]3([B-](F)(F)F)C2)C1 2256771974 MNMWJMKXVMBQIO-JPYJTQIMSA-N 467.317 4.280 70 10 JIIE O=S(=O)(Cl)CCCCCOc1cc(Br)cc(I)c1 2316856033 YQTOBWNDUIZAPK-UHFFFAOYSA-N 467.550 4.171 70 10 JIIE O=C(NCc1ccc(-c2ncc(-c3ccc(F)cc3)[nH]2)cc1)c1ccc(S(=O)(=O)F)cc1 95547407 FPMWTCTZBKSOOO-UHFFFAOYSA-N 453.470 4.471 70 10 JIIE CC(C)(C)OC(=O)NC1(C(=O)N2CC[C@@H]3C[C@]3([B-](F)(F)F)C2)CCN(Cc2ccccc2)CC1 1879740320 PAKHFWREWSKAQY-XXBNENTESA-N 480.360 4.386 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)c2ccc3c(c2)OCO3)cc1 216662377 RQMXYZWNJLXFNF-UHFFFAOYSA-N 462.458 4.133 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)NCCCNC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1 216701574 WJRNCKPTBUGPBF-GOSISDBHSA-N 456.539 4.049 70 10 JIIE Cc1cc(C(=O)N[C@@H]2CC[C@H]2OCc2ccccc2)cc(S(=O)(=O)Cl)c1Br 2156371078 AVEJFXQNJOKZOL-HZPDHXFCSA-N 472.788 4.163 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)Cc3ccc(OC)c(OC)c3)cc2)cc1 216638595 BYLJLGWMTLLDDL-UHFFFAOYSA-N 492.528 4.350 70 10 JIIE O=C(Nc1ccccc1NC(=O)C(F)(F)F)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 216776936 KMUWWPUPUMQBBG-UHFFFAOYSA-N 459.424 4.368 70 10 JIIE O=C(Nc1cc(CN2CCNCC2)cc(S(=O)(=O)F)c1)OCC1c2ccccc2-c2ccccc21 1887511328 YLZVNQFUMOJFOS-UHFFFAOYSA-N 495.576 4.111 70 10 JIIE CC(C)(C)OC(=O)NC1(C(=O)N2CC[C@@](C)([B-](F)(F)F)C2)CCN(Cc2ccccc2)CC1 2319755175 XMNYDYBNFGNJAK-JOCHJYFZSA-N 468.349 4.386 70 10 JIIE O=C(Nc1ccc(S(=O)(=O)Cl)cc1Br)c1ccc(Br)cc1 59070763 QTHXYCYMLIUNIT-UHFFFAOYSA-N 453.539 4.391 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)COc3ccccc3OC)cc2)cc1 216635913 KAMDULKUFRUAQQ-UHFFFAOYSA-N 478.501 4.178 70 10 JIIE Cc1c(N)cc(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1OS(=O)(=O)F 1887522131 FAWRCGHRLKLBKG-UHFFFAOYSA-N 456.495 4.209 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)c3cc(OC)cc(OC)c3)cc2)cc1 216624790 IHVXTJSHNXNQSF-UHFFFAOYSA-N 478.501 4.421 70 10 JIIE Cc1cc2ncc(CCCNS(=O)(=O)c3ccc(Oc4ccccc4Cl)cc3)cn2n1 218046945 OPMOEIILEQZETE-UHFFFAOYSA-N 456.955 4.395 70 10 JIIE Cc1c(Br)cc(S(=O)(=O)Cl)cc1C(=O)N[C@@H]1CC[C@@H]1OCc1ccccc1 2156376392 PANPHMVKNPAKSJ-MSOLQXFVSA-N 472.788 4.163 70 10 JIIE CC(C)(C)OC(=O)NC1(C(=O)N2CC[C@](C)([B-](F)(F)F)C2)CCN(Cc2ccccc2)CC1 2319755176 XMNYDYBNFGNJAK-QFIPXVFZSA-N 468.349 4.386 70 10 JIIE CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)C(=O)N1CC[C@H]([B-](F)(F)F)C1 2368349443 IFFVMBYEPNYMID-DZGCQCFKSA-N 464.111 4.335 70 10 JIIE CC(C)(C)OC(=O)N1CCC[C@@]2(C[C@@H](OS(=O)(=O)C(F)(F)F)CO2)[C@@H]1c1ccccc1 100458309 LRHDFFVIRIJGJI-JTDSTZFVSA-N 465.490 4.153 70 10 JIIE O=C(Nc1cccc(NC(=O)C(F)(F)F)c1)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 216763819 MWRQGAWPTOXXCP-HXUWFJFHSA-N 481.430 4.033 70 10 JIIE CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Br)c1)C(=O)N1CC[C@H]([B-](F)(F)F)C1 2368348116 BKYWXFZOBAFCGO-ZFWWWQNUSA-N 464.111 4.335 70 10 JIIE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)N2CC[C@@H]3C[C@@]3([B-](F)(F)F)C2)C1 2256771976 MNMWJMKXVMBQIO-WZONZLPQSA-N 467.317 4.280 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)[C@H](C)Oc3ccc(O)cc3)c2)cc1 216677065 OPYIGMMXDXHWNH-KRWDZBQOSA-N 478.501 4.264 70 10 JIIE O=C(c1cc(S(=O)(=O)Cl)ccc1Br)N1CCC[C@@H](OCc2ccccc2)C1 2186381609 QHOWFPWXWUCXHU-OAHLLOKOSA-N 472.788 4.198 70 10 JIIE COCC(C)(C)N(Cc1ccccc1)C(=O)c1cc(Br)cc(S(=O)(=O)Cl)c1 1915602431 QRVBCMSJALVMGB-UHFFFAOYSA-N 474.804 4.444 70 10 JIIE O=C(CCC(=O)Oc1c(F)c(F)c(F)c(F)c1F)Oc1c(F)c(F)c(F)c(F)c1F 142741516 OQCVQUZWJWLXHG-UHFFFAOYSA-N 450.184 4.369 70 10 JIIE CCCCOCCOc1c(Br)cc(S(=O)(=O)Cl)cc1Br 105047532 IPJUEDYEDMPEFA-UHFFFAOYSA-N 450.576 4.335 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)COc3ccc(C)cc3)c2)cc1 216686409 WVDDJEZCCFEXJN-UHFFFAOYSA-N 462.502 4.478 70 10 JIIE COc1ccc(C(=O)N2CCC(CNC(=O)/C=C/c3ccccc3Br)CC2)cc1OC 216883290 SGSDGSRNNVIVEU-CSKARUKUSA-N 487.394 4.148 70 10 JIIE CC(C)(C)OC(=O)NC1(CC(=O)N2CC[C@@H]([B-](F)(F)F)C2)CCN(Cc2ccccc2)CC1 2319682305 ILPVQTKEZBOYHF-LJQANCHMSA-N 468.349 4.386 70 10 JIIE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1Br)C(=O)N1CC[C@H]([B-](F)(F)F)C1 2368348545 DLIRLPXUZOTUIT-ZFWWWQNUSA-N 464.111 4.335 70 10 JIIE O=C(N[C@@H](CCC(=O)N1CC[C@@H]2C[C@]2([B-](F)(F)F)C1)C(F)(F)F)OCc1ccccc1 2194132867 MGVWHRLASLZHAX-VKJFTORMSA-N 451.196 4.464 70 10 JIIE COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1S(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1 218005187 XQCUAOCSIHINDO-DENIHFKCSA-N 473.497 4.015 70 10 JIIE Cc1cc(I)ccc1NC(=O)Nc1ccc2c(c1)C(=O)N(CC(C)C)C2=O 217279567 RPQRVLNPXIJQOW-UHFFFAOYSA-N 477.302 4.496 70 10 JIIE C[C@H](CS(=O)(=O)Cl)c1cc(NC(=O)OC(C)(C)C)ccc1I 1952739277 DLZXRSPGRDNUAT-SECBINFHSA-N 459.733 4.310 70 10 JIIE Cc1cc(C(=O)N[C@@H]2CC[C@@H]2OCc2ccccc2)cc(S(=O)(=O)Cl)c1Br 2156371076 AVEJFXQNJOKZOL-CVEARBPZSA-N 472.788 4.163 70 10 JIIE COCCCCCOc1c(Br)cc(S(=O)(=O)Cl)cc1Br 2155524838 BKHQZALRJZCFKR-UHFFFAOYSA-N 450.576 4.335 70 10 JIIE O=S(=O)(Cl)c1cc(Br)c(OC[C@@H]2C[C@H]2Br)c(Br)c1 2076230138 KHSNMAQECSWULP-CAHLUQPWSA-N 483.403 4.301 70 10 JIIE Cc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc(N2CCNCC2)cc1[B-](F)(F)F 1887505542 KHKGNZSPKCZVLJ-UHFFFAOYSA-N 494.346 4.498 70 10 JIIE O=[N+]([O-])c1cc(Br)c(OCCCCCS(=O)(=O)Cl)c(Br)c1 112356922 ADJLTWUCNFMDGL-UHFFFAOYSA-N 465.547 4.238 70 10 JIIE O=S(=O)(Cl)c1cc(Br)c(OC[C@@H]2C[C@@H]2Br)c(Br)c1 2076230139 KHSNMAQECSWULP-FSPLSTOPSA-N 483.403 4.301 70 10 JIIE O=C(Nc1ccc(S(=O)(=O)Cl)cc1Br)c1ccccc1Br 59070531 XKUKSLHNQJAXQI-UHFFFAOYSA-N 453.539 4.391 70 10 JIIE COc1ccc(C(=O)NCC2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1OC 216878578 SKRUJLBOJMBYNX-UHFFFAOYSA-N 450.457 4.005 70 10 JIIE Cc1c(Br)cc(C(=O)NC2CC(OCc3ccccc3)C2)cc1S(=O)(=O)Cl 716196375 KPXBECWJIYOWNR-UHFFFAOYSA-N 472.788 4.163 70 10 JIIE COc1ccc(C(=O)NCC2CCN(C(=O)COc3cc(C)c(Cl)c(C)c3)CC2)cc1OC 216870580 BHQKVSHVXNEEBX-UHFFFAOYSA-N 474.985 4.021 70 10 JIIE O=C(NC[C@H]1CCCN1c1ccccc1)c1cccc(NS(=O)(=O)c2ccccc2F)c1 217823191 DNSNDSGGTDUMLC-OAQYLSRUSA-N 453.539 4.025 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)Cc3cccc(OC)c3)c2)cc1 216689771 YHTVHKJZJSRGCJ-UHFFFAOYSA-N 462.502 4.342 70 10 JIIE CC(C)(C)OC(=O)NC1(C(=O)N2CCC[C@H]([B-](F)(F)F)C2)CCN(Cc2ccccc2)CC1 2070265586 YXHDEPFFSFBLRY-IBGZPJMESA-N 468.349 4.386 70 10 JIIE COc1ccc(C(=O)N2CCC(CNC(=O)CCCOc3c(C)cccc3C)CC2)cc1OC 216871615 DDOWDCJFEWYQKY-UHFFFAOYSA-N 468.594 4.148 70 10 JIIE COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1 218006808 GOSYDHHTUKBSPT-SIKLNZKXSA-N 471.506 4.002 70 10 JIIE CN(C(=O)c1cc(Br)cc(S(=O)(=O)Cl)c1)C1CC(OCc2ccccc2)C1 2156363526 JRQJBXUQMIMKGL-UHFFFAOYSA-N 472.788 4.196 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)[C@H](C)Oc3ccc(O)cc3)c2)cc1 216676958 YWGAMPBJUOPRLW-KRWDZBQOSA-N 478.501 4.264 70 10 JIIE O=C(NCc1ccccc1NC(=O)C(F)(F)F)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 216811629 HCZOFCGNTSKUPX-UHFFFAOYSA-N 473.451 4.046 70 10 JIIE C#Cc1cc(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc(OS(=O)(=O)F)c1 1887520521 ZWFIFYIYPITDMT-UHFFFAOYSA-N 451.475 4.300 70 10 JIIE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(S(=O)(=O)F)nc1 2059397029 GYJAAADYBQOHMJ-QHCPKHFHSA-N 497.548 4.242 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)COc2ccccc2OC)cc1 216661694 DWPKUUOZXLQIAD-UHFFFAOYSA-N 478.501 4.178 70 10 JIIE O=C(NC1(C(=O)Nc2ccccc2S(=O)(=O)F)CC1)OCC1c2ccccc2-c2ccccc21 2302710334 PKRYLJBESSJYKH-UHFFFAOYSA-N 480.517 4.355 70 10 JIIE COc1ccc(C(=O)N2CCC(CNC(=O)CCc3ccccc3Br)CC2)cc1OC 216881297 IFXZWUFVMIFEIV-UHFFFAOYSA-N 489.410 4.068 70 10 JIIE O=S(=O)(Cl)c1ccc(OC(F)(F)F)c(I)c1C(F)(F)F 2055118573 RMJFIRAHXYTZQP-UHFFFAOYSA-N 454.513 4.136 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)Cc2ccc(F)cc2)cc1 216649107 WJQLFHKIWWMTBP-UHFFFAOYSA-N 450.466 4.472 70 10 JIIE O=C(NC1(CCOCc2ccccc2)CC1)c1cc(S(=O)(=O)Cl)ccc1Br 2146504456 MBAHOSSDKIWYMI-UHFFFAOYSA-N 472.788 4.246 70 10 JIIE COc1cc(Br)c(Oc2ncccc2S(=O)(=O)Cl)cc1Br 160194603 UQQDWRNJSWBPQF-UHFFFAOYSA-N 457.527 4.335 70 10 JIIE CCc1ccc([C@@H](C)NC(=O)NCCCN2C(=O)c3ccc(Br)cc3C2=O)cc1 217306459 DOPTYEPNWSINBR-CQSZACIVSA-N 458.356 4.058 70 10 JIIE Cc1cc(S(=O)(=O)NCCn2nc(C(F)(F)F)c3c2CCCC3)c(Cl)cc1Cl 217543155 RVQLLZHZRZTHEE-UHFFFAOYSA-N 456.317 4.374 70 10 JIIE COc1ccc(C(=O)NCC2CCN(C(=O)[C@@H](C)Oc3ccccc3C(C)C)CC2)cc1OC 216870728 WIXXMGSKRYCSOS-LJQANCHMSA-N 468.594 4.263 70 10 JIIE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)N1CC[C@H]2C[C@@]2([B-](F)(F)F)C1 2018400965 FFEAYWTYIGCDCN-NJNPRVFISA-N 455.306 4.327 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)c3cccc(NC(C)=O)c3)cc2)cc1 216631513 DCBPXVVGXXJCML-UHFFFAOYSA-N 475.501 4.363 70 10 JIIE CC(C)(C)OC(=O)N(CCN)C(=O)NCCCOc1ccc(C(C)(C)C)cc1Br 217298806 FWAHBBZQAXMZSL-UHFFFAOYSA-N 472.424 4.421 70 10 JIIE O=C1C[C@H](C(=O)N(Cc2cccs2)C2CCOCC2)CN1c1cccc(Br)c1 217290618 AXGXYHAECPUKKA-HNNXBMFYSA-N 463.397 4.071 70 10 JIIE Cc1c(CN)cc(OS(=O)(=O)F)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 1887522152 GHXKGPSUSYLNJY-UHFFFAOYSA-N 456.495 4.408 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)Cc3ccccc3OC)cc2)cc1 216639191 ZJQDRNMZTSJJOG-UHFFFAOYSA-N 462.502 4.342 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)c3ccc(N(C)C)cc3)c2)cc1 216687654 OZCFDPTUTQENMS-UHFFFAOYSA-N 461.518 4.470 70 10 JIIE COc1ccc(C(=O)NCC2CCN(C(=O)CC34CC5CC(CC(C5)C3)C4)CC2)cc1OC 216868255 JWESUNBOHIPNHU-UHFFFAOYSA-N 454.611 4.279 70 10 JIIE O=C(CCc1cc(Br)ccc1OC(F)F)NC[C@H]1CCCN1c1nccs1 217751436 UDZIQLYTZMDGCT-CQSZACIVSA-N 460.344 4.225 70 10 JIIE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)N2CC[C@H]3C[C@]3([B-](F)(F)F)C2)C1 2256771975 MNMWJMKXVMBQIO-MBSDFSHPSA-N 467.317 4.280 70 10 JIIE CC(C)(C)OC(=O)N1CCN(c2cc(I)cc(C[B-](F)(F)F)c2)CC1 1887514636 DGADPOAQRBPCMP-UHFFFAOYSA-N 469.074 4.277 70 10 JIIE CC(C)(C)c1ccc(OCCCNC(=O)N2CCN(c3ccccn3)CC2)c(Br)c1 217298759 VJKUJVPRJYNXPV-UHFFFAOYSA-N 475.431 4.442 70 10 JIIE CC[C@H](COc1c(Br)cc([N+](=O)[O-])cc1Br)CS(=O)(=O)Cl 115562227 WMICWWHSIDXEBP-SSDOTTSWSA-N 465.547 4.093 70 10 JIIE O=C(NCCCN1C(=O)c2ccc(Br)cc2C1=O)Nc1ccccc1Br 217306668 ULGOXUUDASCFDJ-UHFFFAOYSA-N 481.144 4.019 70 10 JIIE O=S(=O)(Cl)c1cc(I)cc(C(F)(F)F)c1OC(F)(F)F 2055152030 XFLLQNDCAIHGDH-UHFFFAOYSA-N 454.513 4.136 70 10 JIIE COc1ccc(C(=O)N2CCC(CNC(=O)CCc3ccc(Br)cc3)CC2)cc1OC 216882261 ZXVBQZZSKDYCBN-UHFFFAOYSA-N 489.410 4.068 70 10 JIIE O=C(c1cc(Br)cc(S(=O)(=O)Cl)c1)N(Cc1ccccc1)C[C@@H]1CCCO1 2152275513 VFGFTTONUFEUNV-KRWDZBQOSA-N 472.788 4.198 70 10 JIIE O=S(=O)(Cl)C[C@@H](COc1cc(Br)cc(I)c1)C1CC1 2338895702 QQILPUPXBAPCDF-SECBINFHSA-N 479.561 4.027 70 10 JIIE O=S(=O)(Cl)c1cc(Br)c(OCCc2ccncc2)c(Br)c1 215862985 UYJIZEDJZFYNMA-UHFFFAOYSA-N 455.555 4.156 70 10 JIIE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccccc1S(=O)(=O)F 1984695729 SSZFCOWPOULWBO-OAHLLOKOSA-N 468.506 4.211 70 10 JIIE COc1ccc(C(=O)N2CCC(CNC(=O)CCCOc3ccccc3Cl)CC2)cc1OC 216872099 WQJYKTNEFGQQQE-UHFFFAOYSA-N 474.985 4.185 70 10 JIIE C[C@H]1[C@H](COc2c(Br)cc(S(=O)(=O)Cl)cc2Br)C1(F)F 2151821265 AETGBNUAVXJPDU-FSPLSTOPSA-N 454.514 4.419 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)c3ccc(N(C)C)cc3)c2)cc1 216687610 XSHRDFUPOKGULV-UHFFFAOYSA-N 461.518 4.470 70 10 JIIE Cc1ccc(Cl)cc1NC(=O)NCCCN1C(=O)c2ccc(Br)cc2C1=O 217306465 PZHWETOGXARRGR-UHFFFAOYSA-N 450.720 4.219 70 10 JIIE O=S(=O)(Cl)c1cc(OC(F)(F)F)c(C(F)(F)F)cc1I 2055161910 CZDVMTLGVWEQRU-UHFFFAOYSA-N 454.513 4.136 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)c3ccc4c(c3)OCO4)c2)cc1 216686727 DJCZODMQGFWBEO-UHFFFAOYSA-N 462.458 4.133 70 10 JIIE O=C(NCc1cccc(-c2ncc(-c3ccc(F)cc3)[nH]2)c1)c1ccc(S(=O)(=O)F)cc1 95547405 GZSGLWGJRKQNRD-UHFFFAOYSA-N 453.470 4.471 70 10 JIIE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2C[C@]2([B-](F)(F)F)C1 2018402041 QOKDGBVZTLEXAO-JVGYHMDPSA-N 455.306 4.325 70 10 JIIE Cc1c(Br)cc(S(=O)(=O)Cl)cc1C(=O)N[C@H]1CC[C@@H]1OCc1ccccc1 2156376396 PANPHMVKNPAKSJ-ROUUACIJSA-N 472.788 4.163 70 10 JIIE COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1S(=O)(=O)c1ccc(-c2ccc(C)cc2)cc1 218004441 BQQIGELDAYWIIE-NZQKXSOJSA-N 469.534 4.185 70 10 JIIE CO[C@@H](COc1c(Br)cc(S(=O)(=O)Cl)cc1Br)C(C)C 312367313 BCWQNVKBNHXFIK-NSHDSACASA-N 450.576 4.189 70 10 JIIE CC(C)(COCc1ccc(I)c(Br)c1)CS(=O)(=O)Cl 2350072247 VOCMPTRSGNESCR-UHFFFAOYSA-N 481.577 4.165 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)Cc3cccc(OC)c3)cc2)cc1 216639811 OIIDAOVOUATHSP-UHFFFAOYSA-N 462.502 4.342 70 10 JIIE C[C@@H]1[C@@H](COc2c(Br)cc(S(=O)(=O)Cl)cc2Br)C1(F)F 2151821266 AETGBNUAVXJPDU-IYSWYEEDSA-N 454.514 4.419 70 10 JIIE O=C1C[C@H](C(=O)N(CCc2cccs2)C2CCOCC2)CN1c1cccc(Br)c1 217291249 CDCYUFXWVUPWPH-INIZCTEOSA-N 477.424 4.114 70 10 JIIE CC(C)(C)OC(=O)Nc1c(Br)cc(Br)cc1CCS(=O)(=O)F 1952562651 QLGLJWMDJMUYQI-UHFFFAOYSA-N 461.147 4.400 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)Cc2ccc(F)cc2)cc1 216649174 BQMWSVJMRPWOQL-UHFFFAOYSA-N 450.466 4.472 70 10 JIIE O=S(=O)(c1cc(Br)sc1Br)N1CCC[C@@H]([B-](F)(F)F)C1 2133921514 XIDGCMIQDJMWBO-ZCFIWIBFSA-N 455.932 4.275 70 10 JIIE O=C(Nc1ccccc1CNC(=O)C(F)(F)F)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 216811576 FYNJBZWSXQWIBO-UHFFFAOYSA-N 473.451 4.046 70 10 JIIE O=S(=O)(Cl)c1cc(C(F)(F)F)c(OC(F)(F)F)cc1I 2055156807 ZPAJCRSVHMKUTB-UHFFFAOYSA-N 454.513 4.136 70 10 JIIE CN(C(=O)c1cc(S(=O)(=O)Cl)cn1Cc1ccccc1)C1CC(OCc2ccccc2)C1 2038743585 KYDDPIHIRYTBKZ-UHFFFAOYSA-N 472.994 4.284 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)Cc2ccc(OC)cc2)cc1 216649386 IKSYZTDBXNJQRP-UHFFFAOYSA-N 462.502 4.342 70 10 JIIE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)N1CC[C@@H]([B-](F)(F)F)C1 2368349445 IFFVMBYEPNYMID-HIFRSBDPSA-N 464.111 4.335 70 10 JIIE O=C(Nc1ccccc1NC(=O)C(F)(F)F)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 216776659 GOMQZQCOEMMWQT-FQEVSTJZSA-N 481.430 4.033 70 10 JIIE COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1ccccc1C(=O)c1ccc(F)cc1 217925909 DWMSWGWOUYVYPZ-AVRDEDQJSA-N 465.452 4.031 70 10 JIIE COc1ccc(C(=O)NC2CCN(C(=O)[C@H](C)Oc3ccc(C(C)C)cc3)CC2)cc1OC 216889642 SCRMKJDPJUPPED-SFHVURJKSA-N 454.567 4.016 70 10 JIIE C[C@@H]1[C@H](COc2c(Br)cc(S(=O)(=O)Cl)cc2Br)C1(F)F 2151821267 AETGBNUAVXJPDU-VDTYLAMSSA-N 454.514 4.419 70 10 JIIE Cc1c(C(=O)N[C@H]2CC[C@@H]2OCc2ccccc2)cc(Br)cc1S(=O)(=O)Cl 2156378407 UUQKWHQYBUFJPP-IRXDYDNUSA-N 472.788 4.163 70 10 JIIE F[B-](F)(F)c1cnc(N2CCC[C@@]3(CCN(Cc4ccccc4)C3)C2)c(Br)c1 2172770192 IFLWMHODIIKQET-FQEVSTJZSA-N 453.135 4.391 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)Cc3ccccc3F)cc2)cc1 216639333 ZLDRRKNKRDACBT-UHFFFAOYSA-N 450.466 4.472 70 10 JIIE O=C(Nc1cccc(CNC(=O)C(F)(F)F)c1)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 216833174 VXSDRTOXRSRNRC-UHFFFAOYSA-N 473.451 4.046 70 10 JIIE O=C(c1cc(Br)cc(S(=O)(=O)Cl)c1)N(Cc1ccccc1)CC(F)F 2034781177 RYYQUUQDAFVAGH-UHFFFAOYSA-N 452.704 4.284 70 10 JIIE COc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)cc2)cc1OC 216898846 JRPBZZRRWIQCMX-UHFFFAOYSA-N 487.512 4.213 70 10 JIIE O=C(c1cc(Br)cc(S(=O)(=O)Cl)c1)N1CCC(OCc2ccccc2)CC1 384284961 QKNAABYVKCUTTK-UHFFFAOYSA-N 472.788 4.198 70 10 JIIE COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)CCc1c(OC)ccc2ccccc12 217914804 WSGMOHNJTDOMPL-GCJKJVERSA-N 451.494 4.142 70 10 JIIE C[C@@H](Nc1c(Br)cc(Br)cc1Br)C(=O)NCC(F)(F)F 159775120 XJQRGUMLAARORN-RXMQYKEDSA-N 482.920 4.453 70 10 JIIE COc1ccc(C(=O)N2CCC(CNC(=O)c3cc(Cl)ccc3Cl)CC2)cc1OC 216873255 OITJSPSVTXQZDF-UHFFFAOYSA-N 451.350 4.293 70 10 JIIE COCCCN(Cc1ccccc1)C(=O)c1cc(Br)cc(S(=O)(=O)Cl)c1 2095872173 NMNPHLAHQZQHEW-UHFFFAOYSA-N 460.777 4.056 70 10 JIIE Cc1c(CN2CCN(C(=O)OC(C)(C)C)CC2)cc(OS(=O)(=O)F)c(C)c1C#C[Si](C)(C)C 1887521030 MTJCWVRCLZQSQM-UHFFFAOYSA-N 498.693 4.178 70 10 JIIE Cc1c(CN2CCN(C(=O)OC(C)(C)C)CC2)cc([B-](F)(F)F)c(C)c1I 1887561499 WBPZSIMYSITRFS-UHFFFAOYSA-N 497.128 4.015 70 10 JIIE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)N2CCC([B-](F)(F)F)CC2)C1 2248506444 DARRMWDTDWXXEA-UHFFFAOYSA-N 455.306 4.280 70 10 JIIE C[C@H](CCOCc1cc(I)ccc1Cl)CCS(=O)(=O)Cl 2380346005 IBYFXXCOUOOFTO-SNVBAGLBSA-N 451.153 4.446 70 10 JIIE F[B-](F)(F)c1cnc(N2CC[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c(Br)c1 2172767376 SXZPHRDDTYGDJK-DLBZAZTESA-N 453.135 4.247 70 10 JIIE COc1ccc(CCNC(=O)NCCCOc2ccc(Br)cc2Cl)cc1OC 217298870 PURUVJHOFFBQIN-UHFFFAOYSA-N 471.779 4.431 70 10 JIIE O=S(=O)(F)c1cc(Br)c(OC[C@@H]2CC2(Br)Br)cc1F 2224811304 YCMKAURTMKLCEZ-YFKPBYRVSA-N 484.938 4.131 70 10 JIIE Oc1c(Br)cc(C[C@H]2CN(Cc3ccccc3)CC[C@H]2O)cc1Br 217062872 SJQNDWBZXQCILQ-MAUKXSAKSA-N 455.190 4.343 70 10 JIIE O=S(=O)(Cl)c1cc(Br)c(OC/C=C/Br)c(Br)c1 2004047674 SALXFQRKIVRDIS-OWOJBTEDSA-N 469.376 4.427 70 10 JIIE C[C@H](Nc1c(Br)cc(Br)cc1Br)C(=O)NCC(F)(F)F 159774980 XJQRGUMLAARORN-YFKPBYRVSA-N 482.920 4.453 70 10 JIIE CC(C)(C)OC(=O)N1CCN(C(=O)NCCCOc2ccc(Br)cc2Cl)CC1 217299219 ZPVLICPWOIROLO-UHFFFAOYSA-N 476.799 4.134 70 10 JIIE C[C@H](COc1c(Br)cc(S(=O)(=O)F)cc1Br)P(C)(C)=O 2204721290 VKVMUOZEDWLDAX-SSDOTTSWSA-N 452.076 4.260 70 10 JIIE CC(C)(C)N1C(=O)c2ccc(NC(=O)Nc3ccc(I)cc3)cc2C1=O 217280570 DDKHJYNMFXHARJ-UHFFFAOYSA-N 463.275 4.330 70 10 JIIE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)N2CC[C@H]([B-](F)(F)F)C2)C1 2303111839 NHRPLYCBALPREB-AVRDEDQJSA-N 455.306 4.280 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)COc2ccc(C)cc2)cc1 216662055 GEEIGWDBZOEOFU-UHFFFAOYSA-N 462.502 4.478 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)NCCCNC(=O)[C@@H](C)Oc2ccc(C(C)C)cc2)cc1 216701992 IBRUHOGXJMZZAN-GOSISDBHSA-N 456.539 4.049 70 10 JIIE O=C(Nc1ccc(NC(=O)C(F)(F)F)cc1)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 216754109 IPEZIIFEFJROJL-HXUWFJFHSA-N 481.430 4.033 70 10 JIIE COc1ccc(Br)c(C(=O)NCCn2nc(-c3ccccn3)c3c2CCCC3)c1 217493089 MVYABFCZHCMGSJ-UHFFFAOYSA-N 455.356 4.025 70 10 JIIE Cc1c(I)cc(CN2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1[B-](F)(F)F 1887520603 PSMGOWYDSNHWNW-UHFFFAOYSA-N 497.128 4.015 70 10 JIIE CC(C)(C)OC(=O)NC1(C(=O)N2CCC[C@@H]([B-](F)(F)F)C2)CCN(Cc2ccccc2)CC1 2070265587 YXHDEPFFSFBLRY-LJQANCHMSA-N 468.349 4.386 70 10 JIIE CN(CCOCc1ccccc1)C(=O)c1cc(Br)cc(S(=O)(=O)Cl)c1Cl 384288998 RRFYGJJOAOUKES-UHFFFAOYSA-N 481.195 4.319 70 10 JIIE COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1S(=O)(=O)c1ccc(-c2cccc(C)c2)cc1 218005495 VWZGJBATLFJETH-NFBKMPQASA-N 469.534 4.185 70 10 JIIE O=S(=O)(Cl)c1cc(Br)c(OC[C@@]2(Br)CC2(F)F)cc1F 2202506125 QQOLWDGQENSAHV-VIFPVBQESA-N 458.477 4.067 70 10 JIIE O=C(c1ccc(Br)c(S(=O)(=O)Cl)c1)N1CCC(OCc2ccccc2)CC1 384284631 LDYBBCCEUDKWLB-UHFFFAOYSA-N 472.788 4.198 70 10 JIIE O=C(Nc1ccccc1-c1cn2ccsc2n1)[C@H]1CCCCN1c1ccc(-n2cccn2)nn1 218569523 CJFNWTRSVYUIOW-HXUWFJFHSA-N 470.562 4.036 70 10 JIIE CC(C)(C)OC(=O)NC1(CC(=O)N2CC[C@H]([B-](F)(F)F)C2)CCN(Cc2ccccc2)CC1 2319682304 ILPVQTKEZBOYHF-IBGZPJMESA-N 468.349 4.386 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)c2ccc3c(c2)OCO3)cc1 216662417 UIVYMFVDMXSVQJ-UHFFFAOYSA-N 462.458 4.133 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)COc3ccc(C)cc3)c2)cc1 216686341 BROAAUKQGFSKPC-UHFFFAOYSA-N 462.502 4.478 70 10 JIIE CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1cc(C=O)cc(OS(=O)(=O)F)c1 1887510214 LAARUAOHQBQKPZ-UHFFFAOYSA-N 455.463 4.478 70 10 JIIE F[B-](F)(F)c1cnc(N2CCC[C@@H]2[C@@H]2CCN(Cc3ccccc3)C2)c(Br)c1 2172767691 XLBWZTVHJWIQCD-VQIMIIECSA-N 453.135 4.389 70 10 JIIE C=CCN(Cc1cc(Br)ccc1F)C(=O)CCc1ccc(S(=O)(=O)F)cc1 1360643945 HQVVCDDHYCPUNU-UHFFFAOYSA-N 458.324 4.394 70 10 JIIE CN(C(=O)c1cc(S(=O)(=O)Cl)cn1Cc1ccccc1)[C@H]1CC[C@@H]1OCc1ccccc1 2038743323 IVTZGJFBZQGPGW-GMAHTHKFSA-N 472.994 4.284 70 10 JIIE CCOc1ccc(C)cc1[C@H](C)NC(=O)NCCCN1C(=O)c2ccc(Br)cc2C1=O 217306456 NEMMWIYAIAZZQY-HNNXBMFYSA-N 488.382 4.203 70 10 JIIE COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1ccc2noc(-c3ccccc3)c2c1 217945112 XWEIYTKRPOUJOT-XMSQKQJNSA-N 460.461 4.469 70 10 JIIE CN(C(=O)c1ccc(Br)c(S(=O)(=O)Cl)c1)C1CC(OCc2ccccc2)C1 2156361609 AIDDXHPJFKJUOA-UHFFFAOYSA-N 472.788 4.196 70 10 JIIE F[B-](F)(F)c1cnc(N2CC[C@@]3(CCCN(Cc4ccccc4)C3)C2)c(Br)c1 2172769189 UGFMVSVGDVUJNI-HXUWFJFHSA-N 453.135 4.391 70 10 JIIE O=S(=O)(F)c1cc(Br)ccc1OCc1ccc(I)cc1 2191422667 WWKAXPXQDXWZQW-UHFFFAOYSA-N 471.085 4.291 70 10 JIIE O=S(=O)(F)c1ccc(OCc2ccc(I)c(Br)c2)cc1 2377399729 WALCEPZANKCUFL-UHFFFAOYSA-N 471.085 4.291 70 10 JIIE CO[C@H](COc1c(Br)cc(S(=O)(=O)Cl)cc1Br)C(C)C 312367312 BCWQNVKBNHXFIK-LLVKDONJSA-N 450.576 4.189 70 10 JIIE O=S(=O)(F)c1cc(Br)c(OC[C@H]2C[C@H]2Br)c(Br)c1 2076229744 FRWTUVIODNBFAQ-IYSWYEEDSA-N 466.948 4.032 70 10 JIIE O=S(=O)(F)c1cc(Br)c(OC[C@H]2C[C@@H](Br)C2)c(Br)c1 1887847305 ZJVNUOYXHUICDS-KNVOCYPGSA-N 480.975 4.422 70 10 JIIE O=S(=O)(Cl)C[C@H](COc1cc(Br)cc(I)c1)C1CC1 2338895703 QQILPUPXBAPCDF-VIFPVBQESA-N 479.561 4.027 70 10 JIIE CC(C)(C)n1c(-c2cc(Br)ccc2Br)nnc1S(=O)(=O)Cl 161349651 NVOQCXGBCIPQLZ-UHFFFAOYSA-N 457.575 4.153 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)COc3ccccc3OC)cc2)cc1 216635988 YSCVSAXLEMDZJI-UHFFFAOYSA-N 478.501 4.178 70 10 JIIE CC(C)[C@H](COCc1cc(I)ccc1Cl)CS(=O)(=O)Cl 2380346826 RBAUOOYIMASYBP-LLVKDONJSA-N 451.153 4.302 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)[C@@H](C)Oc3ccc(O)cc3)cc2)cc1 216625612 MEKMKYYXYJFBMY-QGZVFWFLSA-N 478.501 4.264 70 10 JIIE O=S(=O)(Cl)c1cc(Br)c(OCC2(Br)CC2)c(Br)c1 2049233286 OXSLSWORNOGUSX-UHFFFAOYSA-N 483.403 4.445 70 10 JIIE O=C(c1cc(S(=O)(=O)Cl)cn1Cc1ccccc1)N1CCC[C@H](OCc2ccccc2)C1 2066303560 HGXFSVFXCHTULG-NRFANRHFSA-N 472.994 4.285 70 10 JIIE F[B-](F)(F)c1cnc(N2CCC3(CCN(Cc4ccccc4)C3)CC2)c(Br)c1 2172768336 HSBIHHBUQLBDJK-UHFFFAOYSA-N 453.135 4.391 70 10 JIIE O=S(=O)(c1cc(Br)sc1Br)N1CC[C@@H]2C[C@@]2([B-](F)(F)F)C1 2194170456 FQRGCHZYLIEKQL-LHLIQPBNSA-N 467.943 4.275 70 10 JIIE O=S(=O)(F)c1cc(Br)c(OC/C=C/Br)c(Br)c1 2016791155 XFQYDHFVNLJDOO-OWOJBTEDSA-N 452.921 4.157 70 10 JIIE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)N1CC[C@H]2C[C@]2([B-](F)(F)F)C1 2018400974 FFEAYWTYIGCDCN-SPEDKVCISA-N 455.306 4.327 70 10 JIIE COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1S(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1 218005103 XQCUAOCSIHINDO-KNQAVFIVSA-N 473.497 4.015 70 10 JIIE CN(C(=O)c1cc(S(=O)(=O)Cl)ccc1Br)[C@H]1CC[C@@H]1OCc1ccccc1 2156384156 XCECGHWUAWRMKJ-ROUUACIJSA-N 472.788 4.196 70 10 JIIE Cc1cc(S(=O)(=O)NCCn2nc(-c3ccccn3)c3c2CCCC3)c(Cl)cc1Cl 217505808 JWDQLVUXOCPONB-UHFFFAOYSA-N 465.406 4.418 70 10 JIIE CN(C(=O)c1cc(S(=O)(=O)Cl)ccc1Br)C1CC(OCc2ccccc2)C1 2156366224 UOGTYXOBACVAHX-UHFFFAOYSA-N 472.788 4.196 70 10 JIIE O=C(c1cc(Br)ccc1I)N1CCC[C@H](C(F)(F)F)C1 218207360 FHDXWBOGYZNVHQ-QMMMGPOBSA-N 462.047 4.468 70 10 JIIE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccccc1S(=O)(=O)F 1984695728 SSZFCOWPOULWBO-HNNXBMFYSA-N 468.506 4.211 70 10 JIIE CN(CCCOCc1ccccc1)C(=O)c1cc(S(=O)(=O)Cl)c(F)cc1Br 384306371 DYCRJNAVJMFHSS-UHFFFAOYSA-N 478.767 4.195 70 10 JIIE F[B-](F)(F)c1cnc(N2CCC[C@H]2[C@@H]2CCN(Cc3ccccc3)C2)c(Br)c1 2172767688 XLBWZTVHJWIQCD-APWZRJJASA-N 453.135 4.389 70 10 JIIE COc1ccccc1Oc1ccc(S(=O)(=O)N2CCC3(CC2)OC(=O)c2ccccc23)cc1 217550091 ZVQCEAHFEGMNGQ-UHFFFAOYSA-N 465.527 4.338 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)Cc3cccc(F)c3)cc2)cc1 216639948 MAWKOEGOZNJYJS-UHFFFAOYSA-N 450.466 4.472 70 10 JIIE COc1ccccc1Oc1ccc(S(=O)(=O)N2CCC[C@@]3(C2)OC(=O)c2ccccc23)cc1 217628978 CLFGCLHNFOMGSG-VWLOTQADSA-N 465.527 4.338 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)Cc2ccc(OC)c(OC)c2)cc1 216664176 SMSHSLUSFPTOJR-UHFFFAOYSA-N 492.528 4.350 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)COc3ccccc3OC)c2)cc1 216685980 MKXAZWSUJKEJOY-UHFFFAOYSA-N 478.501 4.178 70 10 JIIE O=C(N[C@@H](CCC(=O)N1CC[C@H]2C[C@]2([B-](F)(F)F)C1)C(F)(F)F)OCc1ccccc1 2194132861 MGVWHRLASLZHAX-MPGHIAIKSA-N 451.196 4.464 70 10 JIIE CCOc1ccc(C)cc1[C@@H](C)NC(=O)NCCCN1C(=O)c2ccc(Br)cc2C1=O 217306455 NEMMWIYAIAZZQY-OAHLLOKOSA-N 488.382 4.203 70 10 JIIE Cn1cc(C(=O)c2ccc(I)cc2)cc1C(=O)C(Cl)(Cl)Cl 160878965 MXXKFWVXHYYPLZ-UHFFFAOYSA-N 456.494 4.414 70 10 JIIE COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1S(=O)(=O)c1ccc(Oc2cccc(C)c2)cc1 218008135 NBQOEQKDWCPJBC-NFBKMPQASA-N 485.533 4.310 70 10 JIIE Cc1cc(I)c(OC[C@@H](CS(=O)(=O)Cl)C(C)C)cc1Cl 2361566247 ZDZUBPBHTCYUMD-JTQLQIEISA-N 451.153 4.473 70 10 JIIE O=C(O)CCCCCOc1c(Br)cc(S(=O)(=O)Cl)cc1Br 112715782 IBRKYPPNWCPGLP-UHFFFAOYSA-N 464.559 4.163 70 10 JIIE C=C(I)COc1c(Cl)cc(Br)cc1S(=O)(=O)F 2021110005 LFFCYLAPZFKELW-UHFFFAOYSA-N 455.470 4.088 70 10 JIIE F[B-](F)(F)c1cnc(N2CC[C@@H]3[C@H](CCCN3Cc3ccccc3)C2)c(Br)c1 2172763237 QBRRKQWWEQJWRD-VQIMIIECSA-N 453.135 4.389 70 10 JIIE Cc1cc(Br)c(S(=O)(=O)N[C@@H](C)Cc2ccsc2)cc1Br 159625791 DOJICXUPEBPAQY-JTQLQIEISA-N 453.221 4.491 70 10 JIIE O=S(=O)(Cl)CCCOc1c(Br)cc(Br)cc1Br 112356306 QBPYNHYYBPVDQE-UHFFFAOYSA-N 471.392 4.312 70 10 JIIE CN(C(=O)c1ccc(Br)c(S(=O)(=O)Cl)c1)[C@H]1CC[C@@H]1OCc1ccccc1 2156383072 PGUNBLAVQKDUCL-IRXDYDNUSA-N 472.788 4.196 70 10 JIIE Cn1cc(C(=O)c2csc(I)c2)cc1C(=O)C(Cl)(Cl)Cl 160871649 QKYMVDDXALNCEW-UHFFFAOYSA-N 462.523 4.475 70 10 JIIE COc1ccc(CCC(=O)NCCCc2cnc3cc(C)nn3c2)cc1OCc1ccccc1 218020523 QIFVNELVDYYZIS-UHFFFAOYSA-N 458.562 4.307 70 10 JIIE CC1(C)[C@@H](NC(=O)c2cc(S(=O)(=O)Cl)c(Br)o2)C[C@@H]1OCc1ccccc1 717972855 FKZPNANMPHGJBC-GJZGRUSLSA-N 476.776 4.083 70 10 JIIE C[C@H](CS(=O)(=O)Cl)c1cc(I)ccc1NC(=O)OC(C)(C)C 1952632484 MQYFUMWJHHXQTD-SECBINFHSA-N 459.733 4.310 70 10 JIIE O=C(c1cc(S(=O)(=O)Cl)ccc1Br)N1CCC[C@H](OCc2ccccc2)C1 2186381608 QHOWFPWXWUCXHU-HNNXBMFYSA-N 472.788 4.198 70 10 JIIE Nc1cc(CN2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc([B-](F)(F)F)c1 1887520753 ILFBMYAACYYYSB-UHFFFAOYSA-N 480.319 4.390 70 10 JIIE Cc1nc(NC(=O)c2cc(Br)ccc2Br)sc1S(=O)(=O)Cl 159735742 WNBLAMMOVILSLB-UHFFFAOYSA-N 474.583 4.156 70 10 JIIE O=C(Nc1ccsc1-c1nc(C2CC2)no1)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 217286149 DBWCHMRAVGINFW-LBPRGKRZSA-N 473.352 4.430 70 10 JIIE F[B-](F)(F)c1cnc(N2CC[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)c(Br)c1 2172767378 SXZPHRDDTYGDJK-IRXDYDNUSA-N 453.135 4.247 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)c2ccc(OC)c(OC)c2)cc1 216647785 AEVSMVXAUQPJCI-UHFFFAOYSA-N 478.501 4.421 70 10 JIIE COc1ccc(OC)c(-c2cc(C(=O)N(CCc3cccs3)C3CCOCC3)n(C)n2)c1 217291544 KBEXTHHRCHRRJJ-UHFFFAOYSA-N 455.580 4.030 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)[C@@H](C)Oc2ccc(O)cc2)cc1 216651366 RHNBPCYZCTXLBB-QGZVFWFLSA-N 478.501 4.264 70 10 JIIE F[B-](F)(F)c1cnc(N2CC[C@@H]3[C@@H](CCCN3Cc3ccccc3)C2)c(Br)c1 2172763236 QBRRKQWWEQJWRD-QFBILLFUSA-N 453.135 4.389 70 10 JIIE O=C(c1cc(S(=O)(=O)Cl)cc(Br)c1Cl)N1CC[C@@H](OCc2ccccc2)C1 384286420 OMARUTXMVDLJAW-CYBMUJFWSA-N 493.206 4.461 70 10 JIIE CC(C)Cn1c(-c2csc(Br)c2Br)nnc1S(=O)(=O)Cl 2150372521 LCQFZWRTWNEBLR-UHFFFAOYSA-N 463.604 4.115 70 10 JIIE COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1cc(Br)ccc1Cl 217938031 SYYFPSNVEDKBDD-BLLLJJGKSA-N 456.695 4.077 70 10 JIIE CS(=O)(=O)N1CCC(C(=O)Nc2ccccc2-c2csc(-c3ccccc3F)n2)CC1 218606347 AMBFFYADDQYFQX-UHFFFAOYSA-N 459.568 4.226 70 10 JIIE COc1cc(Br)c(OCCCCCS(=O)(=O)Cl)cc1Br 118819353 AYDZWTKRNYXLNY-UHFFFAOYSA-N 450.576 4.338 70 10 JIIE O=C(c1cc(Cl)c(Br)c(S(=O)(=O)Cl)c1)N1CC[C@H](OCc2ccccc2)C1 384285745 MREZTXXICWCNQW-AWEZNQCLSA-N 493.206 4.461 70 10 JIIE O=S(=O)(Cl)C[C@H](COc1cc(Br)cc(I)c1)C1CCC1 2364052451 ZAJOZDWCAPJMNY-JTQLQIEISA-N 493.588 4.417 70 10 JIIE O=S(=O)(Nc1ccc(-c2csc(Nc3ccccc3Cl)n2)cc1)N1CCOCC1 218388601 IWFPVXIOULPOHF-UHFFFAOYSA-N 450.973 4.196 70 10 JIIE O=C(Nc1ccc(S(=O)(=O)Cl)cc1Cl)c1cccc(I)c1 59082093 UXASWQQWQHFWSL-UHFFFAOYSA-N 456.088 4.124 70 10 JIIE C=C(I)COc1c(Cl)cc(Br)cc1S(=O)(=O)Cl 2021106898 LJKCHJXHOKWTHV-UHFFFAOYSA-N 471.925 4.358 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)Cc3ccc(OC)c(OC)c3)cc2)cc1 216638661 NLDZDCTYQCOTNB-UHFFFAOYSA-N 492.528 4.350 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)Cc2ccc(OC)c(OC)c2)cc1 216664236 NOFBDCHFTFPKQT-UHFFFAOYSA-N 492.528 4.350 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)c2ccc(N(C)C)cc2)cc1 216663260 DPNWHDYZNAWIIT-UHFFFAOYSA-N 461.518 4.470 70 10 JIIE O=C(c1cc(S(=O)(=O)Cl)cn1Cc1ccccc1)N1CCC(OCc2ccccc2)CC1 384293656 ZIBTUYYPJCLXAK-UHFFFAOYSA-N 472.994 4.285 70 10 JIIE COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1cc(Br)ccc1Cl 217937956 SYYFPSNVEDKBDD-LRDDRELGSA-N 456.695 4.077 70 10 JIIE O=C(c1ccc(Br)c(S(=O)(=O)Cl)c1)N1CC[C@H](COCc2ccccc2)C1 384308960 JDPGWVLQXGDXRQ-HNNXBMFYSA-N 472.788 4.056 70 10 JIIE COc1ccccc1N1CCN(C(=O)NCCCOc2ccc(Br)cc2Cl)CC1 217299097 UPSDDGODORBHSX-UHFFFAOYSA-N 482.806 4.412 70 10 JIIE CC(C)(C)OC(=O)Nc1ccc(I)c(C=CCS(=O)(=O)Cl)c1 1952583528 MBPAIWMQAQWCGF-UHFFFAOYSA-N 457.717 4.220 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)c3ccc(OC)c(OC)c3)c2)cc1 216672965 UKMRODQNDFMJJT-UHFFFAOYSA-N 478.501 4.421 70 10 JIIE CCOc1cc(C(=O)Nc2ccc(CNC(=O)C(F)(F)F)cc2)cc(OCC)c1OCC 216789518 KSKGUWAFPLVOCS-UHFFFAOYSA-N 454.445 4.314 70 10 JIIE O=S(=O)(Cl)c1cc(Br)ccc1OC[C@H]1CC1(Br)Br 2218005564 IPQAQLIJBVPBMW-ZCFIWIBFSA-N 483.403 4.261 70 10 JIIE CC(C)[C@H](COCc1ccc(I)c(Br)c1)CS(=O)(=O)Cl 2377633656 WHRDFBVAHXIGGJ-LLVKDONJSA-N 495.604 4.411 70 10 JIIE COc1ccc(C(=O)N2CCC(CNC(=O)/C=C/c3ccc(Br)cc3)CC2)cc1OC 216884533 RXTMYCVXXWFKLM-BJMVGYQFSA-N 487.394 4.148 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)c2c(OC)cccc2OC)cc1 216649246 QOQKEEKRZWLFAO-UHFFFAOYSA-N 478.501 4.421 70 10 JIIE CCN(CCCOCc1ccccc1)C(=O)c1cc(S(=O)(=O)Cl)ccc1Br 2153195266 KMYZRMSYHYJJOU-UHFFFAOYSA-N 474.804 4.446 70 10 JIIE O=C(Nc1ccc(S(=O)(=O)Cl)cc1Br)c1cccc(Br)c1 59070719 CPELXZTWZNSOSX-UHFFFAOYSA-N 453.539 4.391 70 10 JIIE F[B-](F)(F)c1cnc(N2CC[C@H]3[C@H](CCCN3Cc3ccccc3)C2)c(Br)c1 2172763234 QBRRKQWWEQJWRD-APWZRJJASA-N 453.135 4.389 70 10 JIIE COc1ccccc1Oc1ccc(S(=O)(=O)NC[C@H]2CCCN(c3nccs3)C2)cc1 218192112 MRAAJYFKAXTDIL-QGZVFWFLSA-N 459.593 4.139 70 10 JIIE O=C(c1cc(S(=O)(=O)Cl)c(Br)cc1Cl)N1CC[C@H](OCc2ccccc2)C1 384286718 OZKUTGQNBVOIAZ-ZDUSSCGKSA-N 493.206 4.461 70 10 JIIE C[C@@]12CN(Cc3ccccc3)C[C@@]1(C)CN(c1ncc([B-](F)(F)F)cc1Br)C2 2172769123 SOIHGJJDMFVVMW-PMACEKPBSA-N 453.135 4.247 70 10 JIIE CC1(C)CC[C@H](COc2c(Br)cc(S(=O)(=O)Cl)cc2Br)O1 160168556 GBQRJHQBDOZOJZ-MRVPVSSYSA-N 462.587 4.476 70 10 JIIE O=C(NCCCN1C(=O)c2ccc(Br)cc2C1=O)Nc1ccc2ccccc2c1 217306609 VNCPSLNKOAHUPR-UHFFFAOYSA-N 452.308 4.410 70 10 JIIE Cc1c(Br)cc(C(=O)N[C@@H]2CC[C@H]2OCc2ccccc2)cc1S(=O)(=O)Cl 2156373705 JBENERHKUZCOSX-IAGOWNOFSA-N 472.788 4.163 70 10 JIIE COc1ccc(C(=O)N2CCCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)cc1OC 216857519 HQBURBGBBHVHFO-UHFFFAOYSA-N 458.558 4.210 70 10 JIIE C[C@@H](CCOCc1cc(I)ccc1Cl)CCS(=O)(=O)Cl 2380346004 IBYFXXCOUOOFTO-JTQLQIEISA-N 451.153 4.446 70 10 JIIE CC(C)(C)OC(=O)N[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@H]([B-](F)(F)F)C1 2368348113 BKYWXFZOBAFCGO-DZGCQCFKSA-N 464.111 4.335 70 10 JIIE F[B-](F)(F)c1cnc(N2CC[C@H]3[C@@H](CCCN3Cc3ccccc3)C2)c(Br)c1 2172763235 QBRRKQWWEQJWRD-LPHOPBHVSA-N 453.135 4.389 70 10 JIIE CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)NCCCN2C(=O)c3ccc(Br)cc3C2=O)C1 217306617 WSFBAQDXYDZFKN-OYHNWAKOSA-N 462.388 4.045 70 10 JIIE O=S(=O)(NCCn1nc(-c2ccccn2)c2c1CCCC2)c1cc(Cl)ccc1Cl 217505059 BVOSBDGKOXECGI-UHFFFAOYSA-N 451.379 4.109 70 10 JIIE C[C@]1([B-](F)(F)F)CCN(S(=O)(=O)c2cc(Br)sc2Br)C1 2342561392 SRVLXRWVEBNDED-VIFPVBQESA-N 455.932 4.275 70 10 JIIE O=C1C[C@@H](C(=O)N(CCc2cccs2)C2CCOCC2)CN1c1cccc(Br)c1 217291247 CDCYUFXWVUPWPH-MRXNPFEDSA-N 477.424 4.114 70 10 JIIE O=S(=O)(Cl)c1ccc(OC[C@@H]2CC2(Br)Br)c(Br)c1 2218009294 ZAGMNCQPIZAKOZ-LURJTMIESA-N 483.403 4.261 70 10 JIIE CC(C)(C)OC(=O)NC1(C(=O)N2CCC([B-](F)(F)F)CC2)CCN(Cc2ccccc2)CC1 2223260261 HIPJKNCLHJRHAK-UHFFFAOYSA-N 468.349 4.386 70 10 JIIE COc1ccc(C(=O)NCC2CCN(C(=O)CCc3cccc(Br)c3)CC2)cc1OC 216881834 XUSDIAAJJRSUIH-UHFFFAOYSA-N 489.410 4.068 70 10 JIIE CC(C)(C)OC(=O)N1CCC(NC(=O)Nc2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)CC1 217281496 IHPDXZBNGKCBOB-UHFFFAOYSA-N 470.570 4.136 70 10 JIIE Cc1c(C(=O)N2CC[C@@H](OCc3ccccc3)C2)cc(Br)cc1S(=O)(=O)Cl 384283011 IUTDRFQUVWOUNP-MRXNPFEDSA-N 472.788 4.116 70 10 JIIE O=C(CCc1cc(Br)ccc1OC(F)F)NC[C@H]1CCCN(c2nccs2)C1 218141243 BUWWQKRVMDPPHQ-CYBMUJFWSA-N 474.371 4.472 70 10 JIIE C[C@@]12CN(Cc3ccccc3)C[C@]1(C)CN(c1ncc([B-](F)(F)F)cc1Br)C2 2172769122 SOIHGJJDMFVVMW-BGYRXZFFSA-N 453.135 4.247 70 10 JIIE O=C(Nc1ccc(S(=O)(=O)Cl)c(Cl)c1)c1cccc(I)c1 59082095 ZAXQZTZRZUKFNI-UHFFFAOYSA-N 456.088 4.124 70 10 JIIE O=C(NC[C@@H]1CCCN1c1ccccc1)c1ccc(NS(=O)(=O)c2cccc(F)c2)cc1 217819676 SOWSKPQMRJPLTC-QFIPXVFZSA-N 453.539 4.025 70 10 JIIE O=S(=O)(Cl)c1cc(Br)c(OC[C@H]2C[C@H]2Br)c(Br)c1 2076230140 KHSNMAQECSWULP-IYSWYEEDSA-N 483.403 4.301 70 10 JIIE O=S(=O)(c1cc(Br)sc1Br)N1CCC([B-](F)(F)F)CC1 2231055832 AALWXKWZPCRKIO-UHFFFAOYSA-N 455.932 4.275 70 10 JIIE CC(C)[C@H](COCc1ccc(Cl)cc1I)CS(=O)(=O)Cl 2365680565 WVXNULNZBKAOJT-LLVKDONJSA-N 451.153 4.302 70 10 JIIE F[B-](F)(F)c1cnc(N2CCN(Cc3ccccc3)C[C@H]2C(F)(F)F)c(Br)c1 2186710078 IYYKJHWLYQQJFE-HNNXBMFYSA-N 467.040 4.152 70 10 JIIE O=S(=O)(Cl)c1ccc(OC[C@H]2CC2(Br)Br)c(Br)c1 2218009295 ZAGMNCQPIZAKOZ-ZCFIWIBFSA-N 483.403 4.261 70 10 JIIE Cc1cc(Br)c(S(=O)(=O)Nc2nc3c(s2)CCC3)cc1Br 159627720 ROGJLIAAZJJKCU-UHFFFAOYSA-N 452.193 4.266 70 10 JIIE Cc1c(C)c(C)c(S(=O)(=O)NCCn2nc(-c3ccccn3)c3c2CCCC3)c(C)c1C 217505160 VDJQWLXDKZSHGZ-UHFFFAOYSA-N 452.624 4.345 70 10 JIIE C=C(I)COc1c(CC)cc(Br)cc1S(=O)(=O)Cl 2077433414 KFNVHNMCVKUQIH-UHFFFAOYSA-N 465.534 4.267 70 10 JIIE CC(C)(C)n1c(-c2cc(Br)sc2Br)nnc1S(=O)(=O)Cl 232527081 MIENFQFLJISJDY-UHFFFAOYSA-N 463.604 4.214 70 10 JIIE CCOC(=O)C(C(=O)OCc1ccccc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 103554499 RIYLNSQMSPZXED-UHFFFAOYSA-N 482.516 4.459 70 10 JIIE CCc1cccc(CC)c1NC(=O)NCCCN1C(=O)c2ccc(Br)cc2C1=O 217306463 FBIQDQVWJFKMPV-UHFFFAOYSA-N 458.356 4.382 70 10 JIIE O=C(NCCCN1C(=O)c2ccc(Br)cc2C1=O)Nc1ccc(N2CCCCC2)cc1 217306602 ODQDLOXTVCPPCM-UHFFFAOYSA-N 485.382 4.247 70 10 JIIE CC(C)c1ccc(O[C@H](C)NC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 217296131 NJSZPWCFLPIENR-MRXNPFEDSA-N 482.002 4.031 70 10 JIIE CCCN(CC(F)(F)F)S(=O)(=O)c1cc(Br)c(C)cc1Br 159602820 DQKMDYUNJSJJRE-UHFFFAOYSA-N 453.118 4.483 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)c3ccc4[nH]cnc4c3)c2)cc1 216682449 KJKBQSKAMGHKIR-UHFFFAOYSA-N 458.474 4.281 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)NCCCNC(=O)[C@H](C)Oc2ccc(C(C)C)cc2)cc1 216702041 IBRUHOGXJMZZAN-SFHVURJKSA-N 456.539 4.049 70 10 JIIE CC(C)C(=O)N1CCCc2ccc(NC(=O)C(=O)NCc3ccc(C(=O)c4ccsc4)s3)cc21 217293882 TXEYULKYXIZAES-UHFFFAOYSA-N 495.626 4.231 70 10 JIIE C=CCCC(=O)Nc1ccc(COC(=O)c2cc(Cl)c(S(=O)(=O)F)cc2OC)cc1 1128300443 CASRKMPRFRNZKP-UHFFFAOYSA-N 455.891 4.269 70 10 JIIE O=C(NCCCN1C(=O)c2ccc(Br)cc2C1=O)Nc1cccc(C(F)(F)F)c1 217306386 REOCMUWSDFNPNL-UHFFFAOYSA-N 470.245 4.276 70 10 JIIE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H]2C[C@@]2([B-](F)(F)F)C1 2018402042 QOKDGBVZTLEXAO-KANGHSEISA-N 455.306 4.325 70 10 JIIE Cc1c(Br)cc(S(=O)(=O)Cl)cc1C(=O)N(C)CCCOCc1ccccc1 384305776 CJNWRUZDILURJB-UHFFFAOYSA-N 474.804 4.364 70 10 JIIE O=C(O)[C@H]1Cc2c(OS(=O)(=O)F)cccc2N1C(=O)OCC1c2ccccc2-c2ccccc21 1887618531 GEMHFJVYIPFGFK-OAQYLSRUSA-N 483.473 4.045 70 10 JIIE O=S(=O)(Cl)c1cc(Br)c(OCc2ccc(Br)cn2)cc1F 166854889 VQYKDESSCLQZSI-UHFFFAOYSA-N 459.518 4.252 70 10 JIIE COc1ccc(OC)c(-c2cc(C(=O)Nc3ccsc3-c3nc(C4CC4)no3)n(C)n2)c1 217286494 ZXUQTISYRRMERT-UHFFFAOYSA-N 451.508 4.346 70 10 JIIE CCOc1cc(C(=O)Nc2cnn(C[C@H]3COc4ccccc4O3)c2)cc(OCC)c1OCC 218259716 JBGIFDSOECDRQL-IBGZPJMESA-N 467.522 4.172 70 10 JIIE O=C(Nc1ccc(S(=O)(=O)Cl)cc1Cl)c1ccc(I)cc1 59082068 HJYQYKWHJYIQGV-UHFFFAOYSA-N 456.088 4.124 70 10 JIIE Cc1cc(Br)c(S(=O)(=O)N(CC(F)(F)F)C(C)C)cc1Br 159604694 WOYXNDCRZXSFIZ-UHFFFAOYSA-N 453.118 4.481 70 10 JIIE COc1ccc(C(=O)N2CCC(CNC(=O)COc3ccc(Cl)cc3Cl)CC2)cc1OC 216871348 OWNPMYBUVZJEIH-UHFFFAOYSA-N 481.376 4.058 70 10 JIIE O=S(=O)(Cl)c1cc(I)c(OC(F)(F)F)cc1C(F)(F)F 2055120962 WIVJLUUHWUVNJI-UHFFFAOYSA-N 454.513 4.136 70 10 JIIE O=S(=O)(Cl)c1c(I)cc(OC(F)(F)F)cc1C(F)(F)F 2055155915 NKFFAPLAMQSFSJ-UHFFFAOYSA-N 454.513 4.136 70 10 JIIE O=S(=O)(F)c1cc(Br)c(OC[C@@H]2C[C@H]2Br)c(Br)c1 2076229742 FRWTUVIODNBFAQ-CAHLUQPWSA-N 466.948 4.032 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)[C@H](C)Oc2ccc(O)cc2)cc1 216651526 UAOGQTQITHVLKT-KRWDZBQOSA-N 478.501 4.264 70 10 JIIE Cc1c(C(=O)N[C@@H]2CC[C@@H]2OCc2ccccc2)cc(Br)cc1S(=O)(=O)Cl 2156378408 UUQKWHQYBUFJPP-SJORKVTESA-N 472.788 4.163 70 10 JIIE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)N2CC[C@@H]([B-](F)(F)F)C2)C1 2303111842 NHRPLYCBALPREB-XMSQKQJNSA-N 455.306 4.280 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)c2ccc(OC)c(OC)c2)cc1 216647826 RNBKJLWZQKFPMB-UHFFFAOYSA-N 478.501 4.421 70 10 JIIE Cc1cc(Br)cc(S(=O)(=O)F)c1OC[C@H]1CC1(Br)Br 2224809795 VERUANGJLMSBBC-SSDOTTSWSA-N 480.975 4.301 70 10 JIIE Cc1c(Br)cc(S(=O)(=O)Cl)cc1C(=O)N[C@H]1CC[C@H]1OCc1ccccc1 2156376398 PANPHMVKNPAKSJ-ZWKOTPCHSA-N 472.788 4.163 70 10 JIIE C[C@@]1([B-](F)(F)F)CCN(S(=O)(=O)c2cc(Br)sc2Br)C1 2342561391 SRVLXRWVEBNDED-SECBINFHSA-N 455.932 4.275 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)c3ccc4[nH]cnc4c3)cc2)cc1 216632427 WGBVKFHIXMENEN-UHFFFAOYSA-N 458.474 4.281 70 10 JIIE CN(C(=O)c1ccc(Br)c(S(=O)(=O)Cl)c1)[C@@H]1CC[C@H]1OCc1ccccc1 2156383071 PGUNBLAVQKDUCL-IAGOWNOFSA-N 472.788 4.196 70 10 JIIE O=C(c1cc(Cl)c(Br)c(S(=O)(=O)Cl)c1)N1CC[C@@H](OCc2ccccc2)C1 384285748 MREZTXXICWCNQW-CQSZACIVSA-N 493.206 4.461 70 10 JIIE C[C@@H](CS(=O)(=O)Cl)c1cc(NC(=O)OC(C)(C)C)ccc1I 1952739278 DLZXRSPGRDNUAT-VIFPVBQESA-N 459.733 4.310 70 10 JIIE CC1(C)C[C@H](NC(=O)c2cc(S(=O)(=O)Cl)c(Br)o2)[C@@H]1OCc1ccccc1 2156378616 VNYSHMKXLAFMGL-WFASDCNBSA-N 476.776 4.083 70 10 JIIE O=C(NC1(CCOCc2ccccc2)CC1)c1cc(Br)cc(S(=O)(=O)Cl)c1 2146503534 GFBVPKSHBGFFLU-UHFFFAOYSA-N 472.788 4.246 70 10 JIIE O=C(NCCCN1C(=O)c2ccc(Br)cc2C1=O)Nc1cccc2c(O)cccc12 217306436 XMNBEIOEMQACFY-UHFFFAOYSA-N 468.307 4.116 70 10 JIIE Cc1cc(NS(=O)(=O)CCCOCc2ccccc2)c(Br)cc1S(=O)(=O)Cl 383444483 JILIKKAFRKNYNS-UHFFFAOYSA-N 496.832 4.034 70 10 JIIE CN(CCOCc1ccccc1)C(=O)c1cc(F)c(Cl)c(S(=O)(=O)Cl)c1Cl 384314062 RLIDUZFDEXISKP-UHFFFAOYSA-N 454.734 4.349 70 10 JIIE COc1cc(-c2cc(C(=O)N(CCc3cccs3)C3CCOCC3)[nH]n2)cc(OC)c1OC 217291548 NOUKWWFFJJVREN-UHFFFAOYSA-N 471.579 4.028 70 10 JIIE COc1ccc(C(=O)NCC2CCN(C(=O)[C@H](C)Oc3ccccc3C(C)C)CC2)cc1OC 216870752 WIXXMGSKRYCSOS-IBGZPJMESA-N 468.594 4.263 70 10 JIIE COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1S(=O)(=O)c1ccc(Oc2cccc(C)c2)cc1 218008232 NBQOEQKDWCPJBC-NZQKXSOJSA-N 485.533 4.310 70 10 JIIE Cc1cc(Br)c(S(=O)(=O)N[C@H](C)Cc2ccsc2)cc1Br 159625930 DOJICXUPEBPAQY-SNVBAGLBSA-N 453.221 4.491 70 10 JIIE O=C(NC1(CCOCc2ccccc2)CC1)c1cc(S(=O)(=O)Cl)cn1Cc1ccccc1 2029858717 VYOJWCKOHZSOSR-UHFFFAOYSA-N 472.994 4.333 70 10 JIIE CCOc1ccc(NC(=O)NCCCN2C(=O)c3ccc(Br)cc3C2=O)cc1OCC 217306515 UFVJVFYMBNMKRJ-UHFFFAOYSA-N 490.354 4.054 70 10 JIIE O=C(NCCCN1C(=O)c2ccc(Br)cc2C1=O)Nc1ccc(F)c(Cl)c1 217306639 NWZMVCYQQPQPAD-UHFFFAOYSA-N 454.683 4.049 70 10 JIIE CN(CCCOCc1ccccc1)C(=O)c1cc(Br)cc(S(=O)(=O)Cl)c1 384314810 PFVRHJVIZIIBPQ-UHFFFAOYSA-N 460.777 4.056 70 10 JIIE O=S(=O)(Cl)c1cc(Br)c(OCC=CBr)c(Br)c1 1925459793 SALXFQRKIVRDIS-UHFFFAOYSA-N 469.376 4.427 70 10 JIIE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2C[C@@]2([B-](F)(F)F)C1 2018402039 QOKDGBVZTLEXAO-CTWQGKMFSA-N 455.306 4.325 70 10 JIIE O=S(=O)(Cl)c1cc(Br)c(OCCC#CBr)c(Br)c1 2051138869 CRMIJKRBHITPEP-UHFFFAOYSA-N 481.387 4.264 70 10 JIIE O=S(=O)(Cl)c1cc(C(F)(F)F)cc(OC(F)(F)F)c1I 2055151742 PXHPPEGQIIHOHC-UHFFFAOYSA-N 454.513 4.136 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)c3c(OC)cccc3OC)c2)cc1 216674436 YUCGXGPZONXORU-UHFFFAOYSA-N 478.501 4.421 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)c3cccc(NC(C)=O)c3)c2)cc1 216681616 QMBFZEIBEKQNPO-UHFFFAOYSA-N 475.501 4.363 70 10 JIIE CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Br)c1)C(=O)N1CC[C@@H]([B-](F)(F)F)C1 2368348114 BKYWXFZOBAFCGO-HIFRSBDPSA-N 464.111 4.335 70 10 JIIE C[C@H](CCOCc1ccc(Cl)cc1I)CCS(=O)(=O)Cl 2365679422 JLDSKXZFHJLOSE-SNVBAGLBSA-N 451.153 4.446 70 10 JIIE CN(CCOCc1ccccc1)C(=O)c1cc(S(=O)(=O)Cl)cc(Br)c1Cl 384279949 DQNHPEPRHNXOCC-UHFFFAOYSA-N 481.195 4.319 70 10 JIIE O=C(NCCCN1C(=O)c2ccc(Br)cc2C1=O)Nc1ccccc1C(F)(F)F 217306378 YYWYVUAYJWKWFU-UHFFFAOYSA-N 470.245 4.276 70 10 JIIE O=S(=O)(Cl)c1c(I)ccc(OC(F)(F)F)c1C(F)(F)F 2055156803 ZLBRQKGXFSNJKN-UHFFFAOYSA-N 454.513 4.136 70 10 JIIE CO[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1)c1ccccc1Cl 218352398 JELGIDMKRHRVTQ-NRFANRHFSA-N 498.004 4.437 70 10 JIIE F[B-](F)(F)COc1c(I)cc(Cl)cc1I 307148988 QJDANMDRSNXBTP-UHFFFAOYSA-N 461.175 4.315 70 10 JIIE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)N2CC[C@H]3C[C@@]3([B-](F)(F)F)C2)C1 2256771973 MNMWJMKXVMBQIO-FDDCHVKYSA-N 467.317 4.280 70 10 JIIE O=S(=O)(F)c1c(Br)c(Br)cc(Br)c1Br 1906131633 IQJUODSRHKCYIC-UHFFFAOYSA-N 475.753 4.395 70 10 JIIE Cc1cc(I)ccc1NC(=O)N[C@@H]1CC(=O)N([C@H](C)c2ccccc2)C1 217283884 DIAGUSCPVVHUQZ-RHSMWYFYSA-N 463.319 4.083 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)COc2ccc(C)cc2)cc1 216661987 WRBPQOPPZPGOAP-UHFFFAOYSA-N 462.502 4.478 70 10 JIIE COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1c(-c2ccccc2Cl)noc1C 217897884 ISSBCFUXQHBEQR-KSSFIOAISA-N 458.873 4.278 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)Cc2ccc(OC)cc2)cc1 216649445 UWOKKOCFRVSYLE-UHFFFAOYSA-N 462.502 4.342 70 10 JIIE CC(C)(COc1c(Br)cc([N+](=O)[O-])cc1Br)CS(=O)(=O)Cl 115562230 IAYUWQWUHWJCKN-UHFFFAOYSA-N 465.547 4.093 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)c3ccc4[nH]cnc4c3)cc2)cc1 216632381 VFYIAKUVBCOAOT-UHFFFAOYSA-N 458.474 4.281 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)Cc3ccc(OC)c(OC)c3)c2)cc1 216688661 LYKCCMYOVCVADI-UHFFFAOYSA-N 492.528 4.350 70 10 JIIE C[C@@H](c1ccccc1)N1C[C@H](NC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1=O 217283589 HQJXHQNZNRDRCY-WNCULLNHSA-N 482.628 4.465 70 10 JIIE O=C(NC[C@H]1CCCN1c1ccccc1)c1ccc(NS(=O)(=O)c2cccc(F)c2)cc1 217819585 SOWSKPQMRJPLTC-JOCHJYFZSA-N 453.539 4.025 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)Cc3cccc(F)c3)cc2)cc1 216639879 YOUYQKZUEVOGPJ-UHFFFAOYSA-N 450.466 4.472 70 10 JIIE CO[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1)c1ccccc1Cl 218352482 JELGIDMKRHRVTQ-OAQYLSRUSA-N 498.004 4.437 70 10 JIIE O=C(c1cc(Br)cc(S(=O)(=O)Cl)c1)N1CC[C@@H](COCc2ccccc2)C1 384293021 ZJRKIMOQJHMORL-OAHLLOKOSA-N 472.788 4.056 70 10 JIIE O=S(=O)(Cl)C[C@H](COc1cc(Br)cc(I)c1)CC1CC1 2364274250 PJRAILGLZCVRDH-JTQLQIEISA-N 493.588 4.417 70 10 JIIE Cc1cc(Cl)ccc1NC(=O)NCCCN1C(=O)c2ccc(Br)cc2C1=O 217306557 UUYSHTAGBDTOCZ-UHFFFAOYSA-N 450.720 4.219 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)c3ccc(N(C)C)cc3)cc2)cc1 216637653 FFKVYWDEKWXGJT-UHFFFAOYSA-N 461.518 4.470 70 10 JIIE F[B-](F)(F)c1cnc(N2CCCN(Cc3ccccc3)CC(F)(F)C2)c(Br)c1 2172758084 LJNSHWDPSKIHBE-UHFFFAOYSA-N 463.077 4.246 70 10 JIIE Cc1cc(Br)cc(S(=O)(=O)Cl)c1OCc1cncc(Br)c1 166853825 XASBTJALAANJBX-UHFFFAOYSA-N 455.555 4.422 70 10 JIIE COc1ccc(C(=O)NCC2CCN(C(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)CC2)cc1OC 216871138 DVJNCXMAQHGRCI-LJQANCHMSA-N 468.594 4.263 70 10 JIIE CCOc1cc(NC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)cc(OCC)c1OCC 217275407 LUYQNEWOSMVUPT-UHFFFAOYSA-N 451.564 4.404 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)c3cccc(NC(C)=O)c3)cc2)cc1 216631467 QWWKBIKUMFHXRA-UHFFFAOYSA-N 475.501 4.363 70 10 JIIE CC[C@@H](COc1cc(Br)c(OC)cc1Br)CS(=O)(=O)Cl 118819383 ILQQBZIAAOZSES-QMMMGPOBSA-N 450.576 4.194 70 10 JIIE CC[C@H](COc1cc(Br)c(OC)cc1Br)CS(=O)(=O)Cl 118819385 ILQQBZIAAOZSES-MRVPVSSYSA-N 450.576 4.194 70 10 JIIE O=C(O)[C@@H]1Cc2c(OS(=O)(=O)F)cccc2N1C(=O)OCC1c2ccccc2-c2ccccc21 1887618530 GEMHFJVYIPFGFK-NRFANRHFSA-N 483.473 4.045 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)c3ccc4c(c3)OCO4)c2)cc1 216686777 CVGVIROCFOVHMQ-UHFFFAOYSA-N 462.458 4.133 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)c3c(OC)cccc3OC)c2)cc1 216674376 JYVGLSLHPHYNFB-UHFFFAOYSA-N 478.501 4.421 70 10 JIIE CC(C)[C@@H](COCc1ccc(Cl)cc1I)CS(=O)(=O)Cl 2365680566 WVXNULNZBKAOJT-NSHDSACASA-N 451.153 4.302 70 10 JIIE O=S(=O)(Cl)c1cc(Br)c(OCCN2CCCCC2)c(Br)c1 215852919 FPMQVLMKBPAVHW-UHFFFAOYSA-N 461.603 4.004 70 10 JIIE CCOc1cc(C(=O)NCCn2nc(-c3ccccn3)c3c2CCCC3)cc(OCC)c1OCC 217494812 NCLRISYMKRFHSU-UHFFFAOYSA-N 478.593 4.450 70 10 JIIE CC1(C)[C@@H](OCc2ccccc2)C[C@H]1NC(=O)c1cc(S(=O)(=O)Cl)c(Br)o1 717972837 FKZPNANMPHGJBC-CABCVRRESA-N 476.776 4.083 70 10 JIIE COc1ccc(C(=O)N2CCC(CNC(=O)[C@@H](C)Oc3ccccc3C(C)C)CC2)cc1OC 216870787 NENGNTPCGFGEFN-LJQANCHMSA-N 468.594 4.263 70 10 JIIE COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1ccccc1C(=O)c1ccc(F)cc1 217926158 DWMSWGWOUYVYPZ-XMSQKQJNSA-N 465.452 4.031 70 10 JIIE CC(C)(C)c1ccc(OCCCC(=O)N2CCN(C(=O)C(F)(F)F)CC2)c(Br)c1 216711476 QMDRIQJGRMMIOU-UHFFFAOYSA-N 479.337 4.139 70 10 JIIE C=C(Br)COc1c(Br)cc(S(=O)(=O)Cl)cc1Br 127289334 SKFCVTNTMPDSAR-UHFFFAOYSA-N 469.376 4.427 70 10 JIIE O=C(NC[C@H]1CCCN1c1ccccc1)c1cccc(NS(=O)(=O)c2cccc(F)c2)c1 217823402 JBNRAQNAIVAVSF-JOCHJYFZSA-N 453.539 4.025 70 10 JIIE O=S(=O)(F)c1cc(Br)c(OCC=CBr)c(Br)c1 2016791292 XFQYDHFVNLJDOO-UHFFFAOYSA-N 452.921 4.157 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)NCc2ccccc2NC(=O)c2ccc(N(C)C)cc2)cc1 216663211 XMEDCSDHIQUTDN-UHFFFAOYSA-N 461.518 4.470 70 10 JIIE COc1ccc(C(=O)N2CCCN(C(=O)COc3ccc(C)cc3C(C)(C)C)CC2)cc1OC 216858254 ALSLVJAERABAHL-UHFFFAOYSA-N 468.594 4.063 70 10 JIIE COc1ccc(C(=O)N2CCC(NC(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)CC2)cc1OC 216889701 LSHRTKOBPUJTGR-GOSISDBHSA-N 454.567 4.016 70 10 JIIE Cc1cc(I)ccc1NC(=O)N[C@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 217283887 DIAGUSCPVVHUQZ-YOEHRIQHSA-N 463.319 4.083 70 10 JIIE O=C(c1cc(S(=O)(=O)Cl)ccc1Br)N1CC[C@H](COCc2ccccc2)C1 384315738 UZWPNGXALJTACQ-HNNXBMFYSA-N 472.788 4.056 70 10 JIIE O=S(=O)(Cl)c1cc(Br)c(OC[C@H]2C[C@@H]2Br)c(Br)c1 2076230141 KHSNMAQECSWULP-VDTYLAMSSA-N 483.403 4.301 70 10 JIIE O=S(=O)(F)c1cc(Br)c(OC[C@H]2C[C@@H]2Br)c(Br)c1 2076229745 FRWTUVIODNBFAQ-VDTYLAMSSA-N 466.948 4.032 70 10 JIIE Cc1c(Br)cc(S(=O)(=O)Cl)cc1C(=O)N1CC[C@H](OCc2ccccc2)C1 384292195 WWBVSFGDCBKHKX-HNNXBMFYSA-N 472.788 4.116 70 10 JIIE CC(C)(C)OC(=O)NC1(C(=O)N2CC[C@H]3C[C@]3([B-](F)(F)F)C2)CCN(Cc2ccccc2)CC1 1879740318 PAKHFWREWSKAQY-CVDCTZTESA-N 480.360 4.386 70 10 JIIE Cc1c(CN2CCN(C(=O)OC(C)(C)C)CC2)c(C)c(OS(=O)(=O)F)c(C)c1N=[N+]=[N-] 1887514891 LJQZOOCGRQIRSA-UHFFFAOYSA-N 457.528 4.199 70 10 JIIE CC(C)(C)OC(=O)Nc1ccc(I)cc1C(C)(C)S(=O)(=O)Cl 1952732367 QVZBJQNQGCQPOI-UHFFFAOYSA-N 459.733 4.442 70 10 JIIE Cc1cc(C(=O)N[C@H]2CC[C@@H]2OCc2ccccc2)cc(S(=O)(=O)Cl)c1Br 2156371077 AVEJFXQNJOKZOL-HOTGVXAUSA-N 472.788 4.163 70 10 JIIE O=S(=O)(Cl)c1cc(Br)c(OCCc2ccccn2)c(Br)c1 215852398 MFVSJVVIDVAPHF-UHFFFAOYSA-N 455.555 4.156 70 10 JIIE O=C(CCCOc1ccc(Br)cc1Cl)NCC1CCN(C(=O)C(F)(F)F)CC1 216732084 CSIPGCXLBLXQFB-UHFFFAOYSA-N 485.728 4.179 70 10 JIIE CC1(C)[C@H](NC(=O)c2cc(S(=O)(=O)Cl)c(Br)o2)C[C@H]1OCc1ccccc1 717973416 FKZPNANMPHGJBC-HUUCEWRRSA-N 476.776 4.083 70 10 JIIE C[C@@H](c1ccccc1)N1C[C@@H](NC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1=O 217283591 HQJXHQNZNRDRCY-HOFKKMOUSA-N 482.628 4.465 70 10 JIIE O=S(=O)(F)c1cc(Br)cc(Cl)c1OC[C@]1(Br)CC1(F)F 2202511195 KZWHRHNTELNUAY-SECBINFHSA-N 458.477 4.312 70 10 JIIE O=C(c1ccc(Br)c(S(=O)(=O)Cl)c1)N1CC[C@@H](COCc2ccccc2)C1 384308962 JDPGWVLQXGDXRQ-OAHLLOKOSA-N 472.788 4.056 70 10 JIIE CC(C)c1ccccc1O[C@@H](C)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 217292075 LOPIBYDNTGXLSC-INIZCTEOSA-N 482.002 4.031 70 10 JIIE CCN(CC)c1ccc(NC(=O)NCCCN2C(=O)c3ccc(Br)cc3C2=O)cc1 217306640 DPBZGLFQXNVXMX-UHFFFAOYSA-N 473.371 4.103 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)[C@H](C)Oc3ccc(O)cc3)cc2)cc1 216625656 MEKMKYYXYJFBMY-KRWDZBQOSA-N 478.501 4.264 70 10 JIIE COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)CCc1c(OC)ccc2ccccc12 217914883 WSGMOHNJTDOMPL-AVRDEDQJSA-N 451.494 4.142 70 10 JIIE O=C(Nc1ccc(S(=O)(=O)Cl)c(Br)c1)c1cccc(Br)c1 59061522 PMCAMCJPIFNJSN-UHFFFAOYSA-N 453.539 4.391 70 10 JIIE COc1cccc(-c2cnc(-c3cccc(CNC(=O)c4ccc(S(=O)(=O)F)cc4)c3)[nH]2)c1 95547404 YBYBKXPZQXQRLW-UHFFFAOYSA-N 465.506 4.341 70 10 JIIE Cc1cccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC[C@@]4(C3)OC(=O)c3ccccc34)cc2)c1 217573096 NZAFSYJDEMXILI-SANMLTNESA-N 476.554 4.098 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)c3cc(OC)cc(OC)c3)c2)cc1 216675632 JKIUHMAXNFJCNH-UHFFFAOYSA-N 478.501 4.421 70 10 JIIE CC(C)(C)OCCOc1c(Br)cc(S(=O)(=O)Cl)cc1Br 162894666 AQYISCDJKZAYKU-UHFFFAOYSA-N 450.576 4.333 70 10 JIIE N#Cc1cc(C(=O)O)c(OS(=O)(=O)F)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 1887616742 DRGNDBPXBBLQEF-UHFFFAOYSA-N 482.445 4.211 70 10 JIIE O=C(Nc1ccc(S(=O)(=O)Cl)c(Br)c1)c1ccc(Br)cc1 59075237 AZOMRTWRFFOAIM-UHFFFAOYSA-N 453.539 4.391 70 10 JIIE CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)C(=O)N1CC[C@@H]([B-](F)(F)F)C1 2368348165 IFFVMBYEPNYMID-UKRRQHHQSA-N 464.111 4.335 70 10 JIIE COc1ccc(C(=O)NCC2CCN(C(=O)c3cc(Cl)ccc3Cl)CC2)cc1OC 216873206 MLYCWFWOEWUPAK-UHFFFAOYSA-N 451.350 4.293 70 10 JIIE O=S(=O)(Cl)c1cc(I)cc(OC(F)(F)F)c1C(F)(F)F 2055120358 IFMNZDFYLOEACI-UHFFFAOYSA-N 454.513 4.136 70 10 JIIE O=C(c1cc(S(=O)(=O)Cl)c(Br)cc1Cl)N1CC[C@@H](OCc2ccccc2)C1 384286716 OZKUTGQNBVOIAZ-CYBMUJFWSA-N 493.206 4.461 70 10 JIIE O=C(c1cc(Br)cc(S(=O)(=O)Cl)c1)N1CCC[C@H](OCc2ccccc2)C1 2186380018 FBLLUMPMNAMPCP-KRWDZBQOSA-N 472.788 4.198 70 10 JIIE CC(C)[C@@H](COCc1cc(I)ccc1Br)CS(=O)(=O)Cl 2367288421 QBBAYWIAPRVTRW-NSHDSACASA-N 495.604 4.411 70 10 JIIE Cc1c(C(=O)N[C@@H]2CC[C@H]2OCc2ccccc2)cc(Br)cc1S(=O)(=O)Cl 2156378404 UUQKWHQYBUFJPP-IAGOWNOFSA-N 472.788 4.163 70 10 JIIE CC(C)[C@H](COCc1cc(I)ccc1Br)CS(=O)(=O)Cl 2367288420 QBBAYWIAPRVTRW-LLVKDONJSA-N 495.604 4.411 70 10 JIIE CC(C)(C)c1ccc(OCCCC(=O)NCCCNC(=O)C(F)(F)F)c(Br)c1 216850732 DOGCZHGIPRYNLY-UHFFFAOYSA-N 467.326 4.090 70 10 JIIE O=S(=O)(Cl)c1cc(Br)c(OCCCN2CCCC2)c(Br)c1 215862458 YTXMUGWBKQRPKI-UHFFFAOYSA-N 461.603 4.004 70 10 JIIE O=C(N[C@@H](CCC(=O)N1CC[C@H]2C[C@@]2([B-](F)(F)F)C1)C(F)(F)F)OCc1ccccc1 2194132863 MGVWHRLASLZHAX-RLFYNMQTSA-N 451.196 4.464 70 10 JIIE O=S(=O)(Cl)c1ccc(OC(F)(F)F)c(C(F)(F)F)c1I 2055156420 URIKPDMRGLAKDY-UHFFFAOYSA-N 454.513 4.136 70 10 JIIE CC[C@@H](COCc1cc(I)ccc1Br)CS(=O)(=O)Cl 2341549411 IQVJKGKZNNGRCN-VIFPVBQESA-N 481.577 4.165 70 10 JIIE COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)CCc1c(OC)ccc2ccccc12 217914646 WSGMOHNJTDOMPL-XMSQKQJNSA-N 451.494 4.142 70 10 JIIE O=S(=O)(Cl)C[C@H](COCc1ccc(I)c(Br)c1)C1CC1 2377641544 HIDGGAFCWLTNQG-NSHDSACASA-N 493.588 4.165 70 10 JIIE O=S(=O)(Cl)c1c(I)ccc(C(F)(F)F)c1OC(F)(F)F 2055151587 LWULZEATJZBSCK-UHFFFAOYSA-N 454.513 4.136 70 10 JIIE CCOc1ccc(CCNC(=O)Nc2ccc3c(c2)C(=O)N(CC(C)C)C3=O)cc1OCC 217279704 KPRKZQCVSNKTCD-UHFFFAOYSA-N 453.539 4.100 70 10 JIIE O=S(=O)(F)c1ccc(OCc2ccc(I)cc2)c(Br)c1 2191423673 JJORFURERATZFE-UHFFFAOYSA-N 471.085 4.291 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)Cc2ccccc2OC)cc1 216664738 QGICKTUDRPSRHR-UHFFFAOYSA-N 462.502 4.342 70 10 JIIE COc1cccc(-c2cnc(-c3ccc(CNC(=O)c4ccc(S(=O)(=O)F)cc4)cc3)[nH]2)c1 95547406 VTEJPLZGUZYWFC-UHFFFAOYSA-N 465.506 4.341 70 10 JIIE O=C(NCc1cc(OS(=O)(=O)F)cc([B-](F)(F)F)c1)OCC1c2ccccc2-c2ccccc21 1887520418 LGOAZKGGEDLYOG-UHFFFAOYSA-N 494.251 4.373 70 10 JIIE CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)C(=O)N1CC[C@@H]([B-](F)(F)F)C1 2368349447 IFFVMBYEPNYMID-UKRRQHHQSA-N 464.111 4.335 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)c3cc(OC)cc(OC)c3)cc2)cc1 216624737 OPCWBWZIUAVOIO-UHFFFAOYSA-N 478.501 4.421 70 10 JIIE CC(C)CN1C(=O)c2ccc(NC(=O)Nc3ccc(I)cc3)cc2C1=O 217279749 QUXZNTUZQLWPPY-UHFFFAOYSA-N 463.275 4.187 70 10 JIIE CN(CCCOCc1ccccc1)C(=O)c1cc(S(=O)(=O)Cl)cn1Cc1ccccc1 384275311 DSVALJNEBVOMIF-UHFFFAOYSA-N 460.983 4.143 70 10 JIIE C=C(I)COc1c(Br)cc(S(=O)(=O)F)cc1Br 2021110200 MPPLZNCJYIGTBQ-UHFFFAOYSA-N 499.921 4.197 70 10 JIIE CN(C(=O)c1cc(S(=O)(=O)Cl)ccc1Br)[C@@H]1CC[C@@H]1OCc1ccccc1 2156384154 XCECGHWUAWRMKJ-MSOLQXFVSA-N 472.788 4.196 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)[C@@H](C)Oc3ccc(O)cc3)c2)cc1 216676907 YWGAMPBJUOPRLW-QGZVFWFLSA-N 478.501 4.264 70 10 JIIE O=C(Nc1cccc(NC(=O)C(F)(F)F)c1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 216763864 MWRQGAWPTOXXCP-FQEVSTJZSA-N 481.430 4.033 70 10 JIIE CC(C)(C)OC(=O)NCCNC(=O)NCCCOc1ccc(C(C)(C)C)cc1Br 217298807 USBRZGFPRIKSOS-UHFFFAOYSA-N 472.424 4.339 70 10 JIIE COc1ccc(Br)c(C(=O)NCCn2nc(-c3ccncc3)c3c2CCCC3)c1 217455989 OOTALDQAXKTIEK-UHFFFAOYSA-N 455.356 4.025 70 10 JIIE Cn1cc(C(=O)c2ccccc2I)cc1C(=O)C(Cl)(Cl)Cl 160879883 OXEHVFYUDTULFF-UHFFFAOYSA-N 456.494 4.414 70 10 JIIE O=S(=O)(Cl)c1cc(I)c(OC(F)(F)F)c(C(F)(F)F)c1 2055117949 BZTMZDBGIOEVKY-UHFFFAOYSA-N 454.513 4.136 70 10 JIIE O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)Nc1ccccc1C(F)(F)F 217304208 WMQYUBLZIOEYPL-UHFFFAOYSA-N 463.865 4.024 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)NCc2ccc(NC(=O)Cc3ccccc3OC)cc2)cc1 216639124 VUVIDZDUQVWPLZ-UHFFFAOYSA-N 462.502 4.342 70 10 JIIE O=C(Nc1ccc(S(=O)(=O)Cl)c(Br)c1)c1ccccc1Br 59060249 ADQLEXLSYLQLOJ-UHFFFAOYSA-N 453.539 4.391 70 10 JIIE COc1ccc(C(=O)N2CCC(CNC(=O)CC34CC5CC(CC(C5)C3)C4)CC2)cc1OC 216868294 IPXXERMKEVCPBW-UHFFFAOYSA-N 454.611 4.279 70 10 JIIE Cc1nc(CN(C)S(=O)(=O)c2cc(Br)c(C)cc2Br)cs1 159630891 GHJHVGWZENIXEN-UHFFFAOYSA-N 454.209 4.106 70 10 JIIE O=S(=O)(F)c1cc(Br)c(OC[C@H]2C[C@H](Br)C2)c(Br)c1 1887837819 ZJVNUOYXHUICDS-LJGSYFOKSA-N 480.975 4.422 70 10 JIIE O=C(NC1(CCOCc2ccccc2)CC1)c1ccc(Br)c(S(=O)(=O)Cl)c1 2146504198 KKUNJQBWMHTXRW-UHFFFAOYSA-N 472.788 4.246 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)c2ccc3[nH]cnc3c2)cc1 216657831 DFVQHRANYMBZCD-UHFFFAOYSA-N 458.474 4.281 70 10 JIIE Cc1cccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC[C@]4(C3)OC(=O)c3ccccc34)cc2)c1 217573008 NZAFSYJDEMXILI-AREMUKBSSA-N 476.554 4.098 70 10 JIIE N#CC(C(=O)CNC(=O)OCc1ccccc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 106893348 YQFCDAJUVGQLAS-UHFFFAOYSA-N 492.515 4.172 70 10 JIIE Cc1cc(Br)cc(S(=O)(=O)Cl)c1OC[C@@]1(Br)CC1(F)F 2202502722 DWNGRMMCOIJJDJ-JTQLQIEISA-N 454.514 4.237 70 10 JIIE Cc1cc(S(=O)(=O)Nc2cnn(C[C@@H]3COc4ccccc4O3)c2)c(Cl)cc1Cl 218298306 RUOGTJCWGXWXMU-CQSZACIVSA-N 454.335 4.139 70 10 JIIE Cc1c(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc([B-](F)(F)F)cc1N1CCNCC1 1887521761 QMPRMQONKSBTCW-UHFFFAOYSA-N 494.346 4.498 70 10 JIIE Cc1cc(I)ccc1NC(=O)N[C@@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 217283885 DIAGUSCPVVHUQZ-WMLDXEAASA-N 463.319 4.083 70 10 JIIE COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1 218006882 GOSYDHHTUKBSPT-KNQAVFIVSA-N 471.506 4.002 70 10 JIIE CCOC(=O)C(I)=P(c1ccccc1)(c1ccccc1)c1ccccc1 196628712 BGTGWSQNAUBYSG-UHFFFAOYSA-N 474.278 4.109 70 10 JIIE CC[C@H](COc1cc(Br)cc(I)c1)CS(=O)(=O)Cl 2316709524 MLSWMJVZLWZRBR-MRVPVSSYSA-N 467.550 4.027 70 10 JIIE COC[C@@H](C)CCOc1c(Br)cc(S(=O)(=O)Cl)cc1Br 2187527052 GCMPSRKXEZCVRJ-QMMMGPOBSA-N 450.576 4.191 70 10 JIIE Cc1c(C#C[Si](C)(C)C)cc(CN2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1OS(=O)(=O)F 1887577422 MTQWPXBBPNBWCD-UHFFFAOYSA-N 498.693 4.178 70 10 JIIE CN(C(=O)c1cc(S(=O)(=O)Cl)ccc1Br)[C@@H]1CC[C@H]1OCc1ccccc1 2156384155 XCECGHWUAWRMKJ-QZTJIDSGSA-N 472.788 4.196 70 10 JIIE O=S(=O)(Cl)c1cc(C(F)(F)F)c(I)cc1OC(F)(F)F 2055119473 NKKCEUHUOKPDQM-UHFFFAOYSA-N 454.513 4.136 70 10 JIIE Cc1c(CN=[N+]=[N-])c(C)c(N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1OS(=O)(=O)F 1887514905 NCGUCGBNCCCLSE-UHFFFAOYSA-N 457.528 4.072 70 10 JIIE CCOc1cc(C(=O)Nc2ccccc2CNC(=O)C(F)(F)F)cc(OCC)c1OCC 216809385 BGLRQEUNTHBZFG-UHFFFAOYSA-N 454.445 4.314 70 10 JIIE O=C(CCCOc1ccc(Br)cc1Cl)N1CCC(CNC(=O)C(F)(F)F)CC1 216732024 KJURKCZOWACOPK-UHFFFAOYSA-N 485.728 4.179 70 10 JIIE CCOC(C)(C)COc1c(Br)cc(S(=O)(=O)Cl)cc1Br 702744082 SWFFFTSFPQYISU-UHFFFAOYSA-N 450.576 4.333 70 10 JIIE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)N1CC[C@@H]2C[C@]2([B-](F)(F)F)C1 1909835789 FFEAYWTYIGCDCN-HMFYCAOWSA-N 455.306 4.327 70 10 JIIE F[B-](F)(F)c1cnc(Sc2cc(I)ccc2Br)nc1 2316393681 OLHWRBHDDBVGQC-UHFFFAOYSA-N 459.845 4.049 70 10 JIIE O=C(Nc1ccccc1-c1cn2ccsc2n1)c1ccc(S(=O)(=O)N2CCCC2)cc1 218539763 LLDXXTZIQLUYFI-UHFFFAOYSA-N 452.561 4.100 70 10 JIIE O=C(c1cc(S(=O)(=O)Cl)cn1Cc1ccccc1)N1CC[C@H](COCc2ccccc2)C1 384315248 UCYNGSAHBWICIL-NRFANRHFSA-N 472.994 4.143 70 10 JIIE CN(C(=O)c1cc(Br)cc(S(=O)(=O)Cl)c1)[C@@H]1CC[C@H]1OCc1ccccc1 2156362042 CGHJAJCENNXYJB-QZTJIDSGSA-N 472.788 4.196 70 10 JIIE COc1ccc(C(=O)NC2CCN(C(=O)COc3ccc(C)cc3C(C)(C)C)CC2)cc1OC 216889140 UFTNTMNCBHBTQB-UHFFFAOYSA-N 468.594 4.110 70 10 JIIE CC[C@H](NS(=O)(=O)c1cc(Br)c(C)cc1Br)c1nccs1 159664217 CQNMYMHQYUESMF-NSHDSACASA-N 454.209 4.406 70 10 JIIE C[C@H](Cc1cc(I)ccc1NC(=O)OC(C)(C)C)S(=O)(=O)Cl 1952733702 ZGCYZGJLOWYRSX-SECBINFHSA-N 459.733 4.138 70 10 JIIE COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1S(=O)(=O)c1ccc(Oc2ccccc2C)cc1 218004224 IHGQBOBFYGHHCT-SIKLNZKXSA-N 485.533 4.310 70 10 JIIE COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1S(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1 218004934 XQCUAOCSIHINDO-UGKGYDQZSA-N 473.497 4.015 70 10 JIIE O=C(c1cc(S(=O)(=O)Cl)ccc1Br)N1CCC(OCc2ccccc2)CC1 384289199 SBYUPEDXEKUGQI-UHFFFAOYSA-N 472.788 4.198 70 10 JIIE CC(C)(C)OC(=O)NC1(C(=O)N2CC[C@H]3C[C@@]3([B-](F)(F)F)C2)CCN(Cc2ccccc2)CC1 1879740319 PAKHFWREWSKAQY-WMZHIEFXSA-N 480.360 4.386 70 10 JIIE Cc1c(N)cc(OS(=O)(=O)F)cc1CNC(=O)OCC1c2ccccc2-c2ccccc21 1887522146 FZEJBOMZKGEAIQ-UHFFFAOYSA-N 456.495 4.209 70 10 JIIE CC[C@@H](COCc1ccc(I)c(Br)c1)CS(=O)(=O)Cl 2350076136 BNAIVVSBQMFSAC-VIFPVBQESA-N 481.577 4.165 70 10 JIIE COc1ccc(C(=O)N2CCC(NC(=O)COc3ccc(C)cc3C(C)(C)C)CC2)cc1OC 216889200 HJTJIAIUSXEXHY-UHFFFAOYSA-N 468.594 4.110 70 10 JIIE CC(C)(C)c1ccc(NC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 217301254 KFCQNANSRNWDEB-UHFFFAOYSA-N 451.976 4.302 70 10 JIIE COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1c(-c2ccccc2Cl)noc1C 217897783 ISSBCFUXQHBEQR-KDOFPFPSSA-N 458.873 4.278 70 10 JIIE Cc1c(Br)cc(S(=O)(=O)Cl)cc1C(=O)NC1CC(OCc2ccccc2)C1 716198411 VEBZTORLSFWHLN-UHFFFAOYSA-N 472.788 4.163 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)NCc2cccc(NC(=O)Cc3ccccc3F)c2)cc1 216689255 GZOOIPBMJPRNSF-UHFFFAOYSA-N 450.466 4.472 70 10 JIIE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)c2cc(OC)cc(OC)c2)cc1 216650577 JFBTVHRCIYUJPA-UHFFFAOYSA-N 478.501 4.421 70 10 JIIE COc1ccc(C(=O)N2CCC(CNC(=O)[C@H](C)Oc3ccc(C(C)C)cc3)CC2)cc1OC 216871228 NKLFTRGNMKDDLZ-IBGZPJMESA-N 468.594 4.263 70 10 JIIE O=S(=O)(Cl)c1c(C(F)(F)F)ccc(I)c1OC(F)(F)F 2055151045 YBFRRVIFNQIFAO-UHFFFAOYSA-N 454.513 4.136 70 10 JIIE CC(C)COCCOc1c(Br)cc(S(=O)(=O)Cl)cc1Br 232714201 AJFCXUWRGDMMAK-UHFFFAOYSA-N 450.576 4.191 70 10 JIIE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(S(=O)(=O)F)nc1 2059397028 GYJAAADYBQOHMJ-HSZRJFAPSA-N 497.548 4.242 70 10 JIIE Cc1cc(I)c(OC[C@H](CS(=O)(=O)Cl)C(C)C)cc1Cl 2361566248 ZDZUBPBHTCYUMD-SNVBAGLBSA-N 451.153 4.473 70 10 JIIE CC(C)N(Cc1ccccc1)C(=O)NCCCN1C(=O)c2ccc(Br)cc2C1=O 217306396 HMAMILZFRNWIDU-UHFFFAOYSA-N 458.356 4.055 70 10 JIIE Cc1c(Br)cc(S(=O)(=O)Cl)cc1C(=O)N[C@@H]1CC[C@H]1OCc1ccccc1 2156376394 PANPHMVKNPAKSJ-QZTJIDSGSA-N 472.788 4.163 70 10 JIIE O=S(=O)(Cl)c1cc(Br)c(OCCOC(F)(F)F)c(Br)c1 91294759 MVBIVGMUKVKOSX-UHFFFAOYSA-N 462.465 4.054 70 10 JIIE O=C(NCc1ccc(C(=O)c2ccsc2)s1)C(=O)Nc1ccc(OC(F)(F)F)cc1 217293862 WVRKLDBCQIKENQ-UHFFFAOYSA-N 454.451 4.194 70 10 JIIE O=C(NCCCN1C(=O)c2ccc(Br)cc2C1=O)N1CCC(Cc2ccccc2)CC1 217306420 YYCKHHJSUFKLQG-UHFFFAOYSA-N 484.394 4.100 70 10 JIIE O=S(=O)(Cl)c1cc(Br)c(OCCc2cccnc2)c(Br)c1 215853062 JFPBBPNXLHSRLQ-UHFFFAOYSA-N 455.555 4.156 70 10 JIIE CC(C)[C@@H](COCc1ccc(I)c(Br)c1)CS(=O)(=O)Cl 2377633657 WHRDFBVAHXIGGJ-NSHDSACASA-N 495.604 4.411 70 10 JIIE