smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C([C@@H]1CC=CCC1)N1CCC(N2CCC(Oc3ccccc3F)CC2)CC1 217375057 STLKACDPPLPGIM-GOSISDBHSA-N 386.511 4.016 70 40 GIIB Cc1cccc(-c2noc(CNC(=O)/C(=C/c3ccco3)c3ccccc3)n2)c1 218106676 BFNGCURZCBGOFN-XSFVSMFZSA-N 385.423 4.495 70 40 GIIB O=C(CCCOc1ccc(Cl)cc1)NCCCN1CCCc2ccccc21 218739453 SQZOFFVASJBWOU-UHFFFAOYSA-N 386.923 4.458 70 40 GIIB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)c1 217033478 PDLBANNCEJSHMB-SFHVURJKSA-N 382.504 4.182 70 40 GIIB Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)Cc3ccsc3)C2)n1 217831864 XIKURKIJHADFDM-INIZCTEOSA-N 381.501 4.130 70 40 GIIB C[C@@](O)(CNC(=O)Cc1c(F)cccc1Cl)c1cc2ccccc2s1 217507253 UVXUQWGYLOTIRX-LJQANCHMSA-N 377.868 4.260 70 40 GIIB CCN(CC)CCOB(c1cccc2ccccc12)c1cccc2ccccc12 195757224 YYVRNEDLMYLYLX-UHFFFAOYSA-N 381.328 4.457 70 40 GIIB COc1ccc(/C=C/C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)c(OC)c1OC 218186685 HOTUYHXJIVECNV-MLFXKNMZSA-N 397.471 4.144 70 40 GIIB Cc1ccc(NC(=O)C(=O)NCC2(c3ccsc3)CCCC2)cc1Cl 217485234 NSDJGCCGJLZUPY-UHFFFAOYSA-N 376.909 4.277 70 40 GIIB CN1C(=O)c2ccccc2N(C)[C@H]1c1ccn(-c2ccc(Br)cc2)c1 216713662 SOOIQCZMPBJXRZ-LJQANCHMSA-N 396.288 4.460 70 40 GIIB O=C1OC2(CCN(C(=O)CCc3ccc(F)c(Cl)c3)CC2)c2ccccc21 217523793 ZFUFAYDDAQGEAV-UHFFFAOYSA-N 387.838 4.100 70 40 GIIB Cc1ccc(SCCC(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)cc1 218151681 GLEWGIMFRIUIRO-UHFFFAOYSA-N 381.501 4.494 70 40 GIIB O=C(CC(c1ccccc1)c1ccccc1)NC[C@@H]1CCCN1c1nccs1 217769391 UZQQKQLTMGCMSD-FQEVSTJZSA-N 391.540 4.450 70 40 GIIB O=C(/C=C\c1cccs1)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1 217795477 VTCRCJAKZOBKLM-KVPUOBJLSA-N 397.475 4.432 70 40 GIIB Cc1ccc(SCCC(=O)NCc2nc(-c3ccccc3Cl)no2)cc1 218151234 BEFFXKCILDCBCO-UHFFFAOYSA-N 387.892 4.497 70 40 GIIB Cc1cccc(CS(=O)(=O)Nc2ccccc2-c2cn3ccsc3n2)c1 218543630 NJRQKJWPQGKBNB-UHFFFAOYSA-N 383.498 4.313 70 40 GIIB COc1ccc(CCCNC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 218710033 JOEFJKFRMPAHEP-MRXNPFEDSA-N 375.896 4.482 70 40 GIIB COc1ccc(CNC(=O)c2ccc(-c3ccccc3)cc2)c(OC)c1OC 218163941 LIMFHVGQSULIEG-UHFFFAOYSA-N 377.440 4.309 70 40 GIIB CC1(C)C[C@H](NC(=O)CN2C(=O)c3cccc4cccc2c34)c2ccccc2O1 218317435 MPOHFPMHHFWVTE-SFHVURJKSA-N 386.451 4.219 70 40 GIIB Cc1cccc(-c2noc(CNC(=O)CSCc3cccc(Cl)c3)n2)c1 218039094 DICKPKHVKOIEGG-UHFFFAOYSA-N 387.892 4.248 70 40 GIIB Cc1ccc(N2CCO[C@H]2c2cn(Cc3cccc(C(F)(F)F)c3)nn2)cc1 216762284 TXTYVHQONGHIKF-IBGZPJMESA-N 388.393 4.189 70 40 GIIB Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)/C=C/c3ccco3)C2)n1 217825667 SOFLZVUZXKXSDK-SXSDINLZSA-N 377.444 4.133 70 40 GIIB COc1cccc([C@@H]2SCCN2C(=O)c2cc(-c3ccc(F)cc3)nn2C)c1 217638572 ZYCVLLAKTLWMSY-NRFANRHFSA-N 397.475 4.123 70 40 GIIB CN1C(=O)c2ccccc2N(C)[C@@H]1c1ccn(-c2ccccc2Br)c1 216714537 XLLLVCMOLPUKJF-IBGZPJMESA-N 396.288 4.460 70 40 GIIB CCN(Cc1nc(-c2cccs2)no1)C(=O)CSCc1ccc(C)cc1 218026808 YVWGCMIRBOPBBE-UHFFFAOYSA-N 387.530 4.388 70 40 GIIB O=C([C@H]1CC=CCC1)N1CCC(N2CCC[C@@H]2COCc2ccccc2)CC1 217597792 WFIFGIMAIHZLPQ-JTHBVZDNSA-N 382.548 4.015 70 40 GIIB Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)c3cc(C4CC4)on3)C2)n1 217831190 AWWHAHLMIPXTLX-OAHLLOKOSA-N 392.459 4.005 70 40 GIIB CN1CCC(CCNC(=O)c2ccc(OCc3ccccc3Cl)cc2)CC1 217013698 WLNFCJZDWZNEAJ-UHFFFAOYSA-N 386.923 4.381 70 40 GIIB CCOc1cc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4CC[C@H](C4)[C@H]23)ccc1O 217629031 DTEURNFLCFXMBC-YTMVEMIDSA-N 375.515 4.193 70 40 GIIB Cc1cc(O[C@@H](C)C(=O)N(C)Cc2nc(-c3ccccc3)no2)cc(C)c1Cl 218717643 FABBKVGAXCKAAZ-HNNXBMFYSA-N 399.878 4.433 70 40 GIIB COc1ccc(CSCC(=O)NCc2ccc(OC(C)C)c(OC)c2)cc1 218112517 BDSPCEIFBMAKDA-UHFFFAOYSA-N 389.517 4.041 70 40 GIIB CN1CCC(Oc2ccc(CNC(=O)/C=C/c3ccc(Cl)cc3)cc2)CC1 216927615 PIIMEZICEJGXHM-IZZDOVSWSA-N 384.907 4.143 70 40 GIIB CCOC(=O)[C@@H](C)C(C)=P(c1ccccc1)(c1ccccc1)c1ccccc1 584578168 AQVHCZSKPXWJFS-FQEVSTJZSA-N 390.463 4.372 70 40 GIIB C[C@@](O)(CNC(=O)c1ccc(OC(F)(F)F)cc1)c1cc2ccccc2s1 217506638 OTEHIULMPORNCS-GOSISDBHSA-N 395.402 4.437 70 40 GIIB CCCOc1ccccc1CCCNC(=O)/C=C/c1ccc(OC)c(OC)c1 217924038 SSLNJAKFFJBDGP-WYMLVPIESA-N 383.488 4.255 70 40 GIIB Cc1ccc([C@@H](C)NC(=O)c2ccccc2I)cc1C 218218009 UREGXBXQPIHXFG-CYBMUJFWSA-N 379.241 4.399 70 40 GIIB CC[C@H](NC(=O)CSCc1ccc(OC)cc1)c1ccc(OC)c(OC)c1 218116732 WEUBTIYSBOQLPI-SFHVURJKSA-N 389.517 4.213 70 40 GIIB CN1CCC(CCNC(=O)CSCc2c(Cl)cccc2Cl)CC1 216930913 ALOWMFNLCCBZTK-UHFFFAOYSA-N 375.365 4.075 70 40 GIIB COc1ccc(/C=C/C(=O)NCCCc2cccc(OC(C)C)c2)cc1OC 217923477 MJOCCRNCZSHKSP-ACCUITESSA-N 383.488 4.253 70 40 GIIB COc1ccc(OC[C@H](C)NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 218663901 QMVYGVYHDYUIAG-DLBZAZTESA-N 385.504 4.344 70 40 GIIB C[C@]1(CC(=O)Oc2c(F)c(F)c(F)c(F)c2F)OCCc2sccc21 100047429 BUMVUDPJNUNDAR-MRXNPFEDSA-N 378.318 4.227 70 40 GIIB CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)Cc1ccc(Cl)cc1 218531728 OXXIPDOGHNGCSE-UHFFFAOYSA-N 376.243 4.245 70 40 GIIB O=C([C@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CCCC[C@@H](c2ccc(F)cc2)C1 217493387 IWIXNEGSWLWWPJ-MSOLQXFVSA-N 398.453 4.114 70 40 GIIB COc1cccc(CCCNC(=O)CSCc2c(F)cccc2Cl)c1 218201082 XDAMPOAOUCQKND-UHFFFAOYSA-N 381.900 4.470 70 40 GIIB CN1C(=O)c2ccccc2N(C)[C@@H]1c1ccn(-c2cccc(Br)c2)c1 216713391 UXEYNBXCJXLNQD-IBGZPJMESA-N 396.288 4.460 70 40 GIIB C[C@@H](SCc1ccccc1)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 218074010 DLVVUFNPJUXOJU-CYBMUJFWSA-N 387.892 4.328 70 40 GIIB CN1CCN(c2ccc(NC(=O)/C(=C/c3ccco3)c3ccccc3)cc2)CC1 218108980 BFOCMYFTPUVINR-PTGBLXJZSA-N 387.483 4.211 70 40 GIIB CC[C@@H](Oc1ccc(OC)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(OC)cc21 218758289 HEPIMKODJMKKHB-WOJBJXKFSA-N 399.487 4.280 70 40 GIIB CCOc1ccc(CNC(=O)c2ccc(Br)cc2)cc1OCC 217868633 KGXQKPAVOXDCBE-UHFFFAOYSA-N 378.266 4.177 70 40 GIIB COc1ccc(OC[C@@H](C)NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 218663952 QMVYGVYHDYUIAG-SJORKVTESA-N 385.504 4.344 70 40 GIIB CC[C@@H](NC(=O)/C=C/c1ccccc1Cl)c1ccc(S(C)(=O)=O)cc1 217902980 OSKIJIGIHHHICN-LVMGUKCRSA-N 377.893 4.024 70 40 GIIB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1C 217032552 KPTYCFLNTFUQHG-GOSISDBHSA-N 382.504 4.182 70 40 GIIB C[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 218681396 NPRNDOBSUCHZEN-NSHDSACASA-N 392.242 4.127 70 40 GIIB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 217026754 BDTNGSRVIOBFCD-NRFANRHFSA-N 386.467 4.095 70 40 GIIB CC[C@H](NC(=O)c1ccccc1Br)c1ccc(OC)c(OC)c1 218222793 XVMDQXBQPKIYJW-HNNXBMFYSA-N 378.266 4.347 70 40 GIIB COc1ccc2c(c1)CCC[C@@]2(O)CNC(=O)Nc1ccccc1C(F)(F)F 218013779 CHCLNPLNVREHBY-LJQANCHMSA-N 394.393 4.060 70 40 GIIB CSc1nc(Nc2cc(Cl)cc(Cl)c2)cc(N2CCN(C)CC2)n1 216851639 QDGVCVUJCPYBFM-UHFFFAOYSA-N 384.336 4.001 70 40 GIIB Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)c1 217024483 NXVRBIFGTNCRQI-LJQANCHMSA-N 396.531 4.491 70 40 GIIB CN1CCC(CC(=O)NCCSCc2ccc(Cl)cc2Cl)CC1 216893697 SVYWZIQLQOMTIS-UHFFFAOYSA-N 375.365 4.075 70 40 GIIB C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 217023241 MIRCJDLTGXLYPE-OAHLLOKOSA-N 388.895 4.219 70 40 GIIB O=[N+]([O-])c1ccc(OCc2ccc(S(=O)(=O)F)c(Cl)c2)c(Cl)c1 104136259 MCVNVDAIQPIQMV-UHFFFAOYSA-N 380.180 4.139 70 40 GIIB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)/C=C/c1ccc(OC)c(OC)c1 217925470 OMOYSKYZWAGKAB-JGZYNSJSSA-N 397.471 4.144 70 40 GIIB C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 217014730 HXRWXAZYPGIMOQ-HNNXBMFYSA-N 388.895 4.219 70 40 GIIB COc1ccc(CNC(=O)/C(=C/c2ccco2)c2ccccc2)c(OC)c1OC 218101535 DGLDQNJLSONARH-XMHGGMMESA-N 393.439 4.162 70 40 GIIB CN(Cc1nc(-c2cccs2)no1)C(=O)CCCOc1ccc(Cl)cc1 218739147 WNELMUSRYQLFQW-UHFFFAOYSA-N 391.880 4.269 70 40 GIIB CCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(OC3CCCC3)cc2)cc1 218640039 WHOSVEFCQYTLMW-UHFFFAOYSA-N 388.489 4.022 70 40 GIIB CC[C@H](NC(=O)[C@@H](CC)Oc1ccc(OC)cc1)c1ccc(OC)c(OC)c1 218759135 HDQVKLMBYCNWLB-RBUKOAKNSA-N 387.476 4.137 70 40 GIIB COc1ccc(OC[C@H](C)NC(=O)/C(=C/c2ccco2)c2ccccc2)cc1 218102747 OGNCUOSVUGLNBV-HINJULBWSA-N 377.440 4.413 70 40 GIIB CC[C@H](NC(=O)[C@@H](C)Sc1ccc(C)cc1)c1ccc(S(C)(=O)=O)cc1 218142906 LMFNLTDJWTVYIK-BEFAXECRSA-N 391.558 4.147 70 40 GIIB COc1ccc(OC[C@@H](C)NC(=O)CSCc2ccccc2Cl)cc1 218028448 APNLCIHNXDPGEK-CQSZACIVSA-N 379.909 4.166 70 40 GIIB COc1ccc(/C=C/C(=O)NCCCc2ccc(OC(C)C)cc2)cc1OC 217923607 NBBLCIPBGNIZON-GXDHUFHOSA-N 383.488 4.253 70 40 GIIB CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 217034289 RZHSHYSRINISGY-FQEVSTJZSA-N 386.467 4.095 70 40 GIIB COc1ccc(C(=O)N2CCC[C@H](c3nnc(-c4ccc(C)cc4)o3)C2)cc1 216649744 QQEHIGVBHWOBQX-SFHVURJKSA-N 377.444 4.073 70 40 GIIB Cc1cccc(-c2noc(CNC(=O)[C@@H](C)Sc3ccc(Cl)cc3)n2)c1 217993892 NJNAXXGYDRIMCK-CYBMUJFWSA-N 387.892 4.495 70 40 GIIB O=C(CCc1c(F)cccc1Cl)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1 217659028 GDQOVXPFNVTRGF-MRXNPFEDSA-N 398.869 4.144 70 40 GIIB Cc1ccc(S[C@H](C)C(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)cc1 218144742 XLHDVOFTUFITME-MRXNPFEDSA-N 381.501 4.493 70 40 GIIB Cc1cc(N2c3ccc(S(=O)(=O)Cl)cc3C[C@H]2C)nc(-c2ccccc2)n1 226105460 QSWYXZWVCCFFAX-CQSZACIVSA-N 399.903 4.462 70 40 GIIB COc1cccc(C(=O)N2CCC[C@@H](Cc3nc(-c4ccccc4C)no3)C2)c1 217827079 BEFDSYIEVPDNFV-KRWDZBQOSA-N 391.471 4.149 70 40 GIIB Cc1cc(CCC(=O)N2CCC[C@]3(C2)OC(=O)c2ccccc23)ccc1Cl 217580123 VOOXKINNFZOVNZ-JOCHJYFZSA-N 383.875 4.269 70 40 GIIB Cc1ccc([C@H](C)NC(=O)c2ccccc2I)cc1C 218218067 UREGXBXQPIHXFG-ZDUSSCGKSA-N 379.241 4.399 70 40 GIIB O=C(N1CCC[C@@H](Cc2nc(C3CC3)no2)C1)C1(c2cccs2)CCCC1 217813528 IWJIUEZCLFYZBN-HNNXBMFYSA-N 385.533 4.302 70 40 GIIB CC[C@@H](NC(=O)CSCc1ccc(OC)cc1)c1ccc(OC)c(OC)c1 218116647 WEUBTIYSBOQLPI-GOSISDBHSA-N 389.517 4.213 70 40 GIIB COc1ccc(/C=C/C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)c(OC)c1OC 218186769 HOTUYHXJIVECNV-HVJHFUJKSA-N 397.471 4.144 70 40 GIIB O=C(c1cc(-c2ccc3c(c2)OCO3)n[nH]1)N1CCCC[C@H](c2ccccc2)C1 217490923 OFPLEXCBYQQIHJ-SFHVURJKSA-N 389.455 4.215 70 40 GIIB O=C(c1ccc(Cl)c(Cl)c1)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1 217662209 KJPIKIYXVUKFFL-HNNXBMFYSA-N 387.270 4.339 70 40 GIIB COc1ccc2c(c1)[C@H](NC(=O)/C=C/c1ccc(OC)c(OC)c1)CC(C)(C)O2 217925277 UCVYIQZSJXGVHC-JGZYNSJSSA-N 397.471 4.144 70 40 GIIB CCOc1cccc(-n2ccc([C@H]3OCCN3Cc3ccc(OC)cc3)c2)c1 216745208 DPQXPYPAOYMESL-HSZRJFAPSA-N 378.472 4.416 70 40 GIIB COc1ccc2c(c1)[C@@H](NC(=O)/C=C/c1ccc(OC)c(OC)c1)CC(C)(C)O2 217925198 UCVYIQZSJXGVHC-DBEXCURXSA-N 397.471 4.144 70 40 GIIB COc1ccc(CCCNC(=O)CSCc2ccccc2Cl)cc1OC 218029589 WDZHNYVDYHWFMJ-UHFFFAOYSA-N 393.936 4.339 70 40 GIIB Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)/C=C/c3ccco3)C2)n1 217825581 SOFLZVUZXKXSDK-DVQDXYAYSA-N 377.444 4.133 70 40 GIIB O=C(NCCc1ccccc1)NCCn1nc(-c2ccsc2)cc1C1CC1 217880658 FDUWGNQKITWICV-UHFFFAOYSA-N 380.517 4.031 70 40 GIIB Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)c3ccccc3F)C2)n1 217827432 AGIQPTPMXQUFDK-MRXNPFEDSA-N 379.435 4.279 70 40 GIIB CCOc1ccc(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1OCC 218672995 BUXGRTGOSLCUIZ-AWEZNQCLSA-N 377.868 4.221 70 40 GIIB C[C@@](O)(CNC(=O)NC12CC3CC(CC(C3)C1)C2)c1cc2ccccc2s1 217523096 UOWUBJKQWHXXTF-CVNMFNKSSA-N 384.545 4.377 70 40 GIIB Cc1cc(OCC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)ccc1Cl 217011382 YIKXCEUQHWXHCF-UHFFFAOYSA-N 388.895 4.139 70 40 GIIB O=C(NCCCN1CCCc2ccccc21)c1ccc(CN2CCCCC2)cc1 218614080 YVFUFOZWHHWUAG-UHFFFAOYSA-N 391.559 4.245 70 40 GIIB CN1CCC(CC(=O)NCCSCc2ccc(Cl)c(Cl)c2)CC1 216893803 BBBOMPAMGKLHFN-UHFFFAOYSA-N 375.365 4.075 70 40 GIIB COc1ccc(OC[C@H](C)NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 218664016 QMVYGVYHDYUIAG-IRXDYDNUSA-N 385.504 4.344 70 40 GIIB Cc1cccc(-c2noc(CN(C)C(=O)[C@H](C)SCc3ccccc3)n2)c1 218074467 LWYPNFGTELTKFZ-INIZCTEOSA-N 381.501 4.325 70 40 GIIB O=C(Oc1c(F)c(F)c(F)c(F)c1F)c1ccc(OC2CCOCC2)cc1 100047386 BDWCEFHYQPZQRO-UHFFFAOYSA-N 388.288 4.159 70 40 GIIB COc1ccc2c(c1)[C@@H](NC(=O)COc1ccc(Cl)cc1)CC(C)(C)O2 217832178 FPUVBAJXIGTVOG-KRWDZBQOSA-N 375.852 4.146 70 40 GIIB O=C([C@@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CCCC[C@H](c2ccc(F)cc2)C1 217493317 IWIXNEGSWLWWPJ-ZWKOTPCHSA-N 398.453 4.114 70 40 GIIB O=C(CC1CCCC1)N1CCC(N2CCC(Oc3ccccc3F)CC2)CC1 217590961 CSHLVCUFGDFKKD-UHFFFAOYSA-N 388.527 4.240 70 40 GIIB O=C(N1CCC[C@H](Cc2nc(C3CC3)no2)C1)C1(c2cccs2)CCCC1 217813469 IWJIUEZCLFYZBN-OAHLLOKOSA-N 385.533 4.302 70 40 GIIB COc1cc(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2)ccc1OC(C)C 218673187 JGJJWDGOWOAQMO-AWEZNQCLSA-N 377.868 4.220 70 40 GIIB Cc1cccc(-c2noc(CN(C)C(=O)CSCc3ccccc3C)n2)c1 218019389 NDHNTKDYOGGCQG-UHFFFAOYSA-N 381.501 4.245 70 40 GIIB CCSc1ccccc1C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 217036837 QTOMLLBJZNZGKY-UHFFFAOYSA-N 384.545 4.202 70 40 GIIB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)c(C)c1 217032986 HRWHFMCCJXVVES-SFHVURJKSA-N 382.504 4.182 70 40 GIIB Cn1nc(CN(Cc2ccco2)C(=O)CCSc2ccccc2)c2c1CCC2 217904931 RZESLYUMROXBET-UHFFFAOYSA-N 395.528 4.213 70 40 GIIB COc1ccccc1N1CCN(C(=O)/C(=C/c2ccco2)c2ccccc2)CC1 218094524 HPHBZOLWDDDOHL-DYTRJAOYSA-N 388.467 4.178 70 40 GIIB CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@@H](CC)c1ccc(OC)c(OC)c1 218759222 HDQVKLMBYCNWLB-OALUTQOASA-N 387.476 4.137 70 40 GIIB COc1ccc(OC[C@H](C)NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1 217987383 JGLQYGDRLGUBID-KBPBESRZSA-N 379.909 4.413 70 40 GIIB COc1cc(CNC(=O)COc2ccc(Cl)cc2Cl)ccc1OC(C)C 217834333 GYJKPIUFJZGJAB-UHFFFAOYSA-N 398.286 4.484 70 40 GIIB Cc1ccc(S[C@@H](C)C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)cc1 216930700 SXNISZTYVPFSPI-SFHVURJKSA-N 398.572 4.265 70 40 GIIB CC[C@H](NC(=O)[C@H](C)Sc1ccc(C)cc1)c1ccc(S(C)(=O)=O)cc1 218143050 LMFNLTDJWTVYIK-KXBFYZLASA-N 391.558 4.147 70 40 GIIB Cc1cccc(N2CCO[C@@H]2c2cn(Cc3cccc(C(F)(F)F)c3)nn2)c1 216760370 DDZSEBXSDSTNNK-LJQANCHMSA-N 388.393 4.189 70 40 GIIB O=C(CCc1ccc(C(F)(F)F)cc1)NC[C@](O)(c1ccccc1)C1CC1 217579063 IWBNLDAKYIJIEU-FQEVSTJZSA-N 377.406 4.052 70 40 GIIB COc1ccc(/C=C/C(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)cc1OC 217924912 UJGJXQCKFBRDKF-MZEUMTGBSA-N 381.472 4.444 70 40 GIIB O=C(c1ccc(Cl)c(Cl)c1)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1 217662130 KJPIKIYXVUKFFL-OAHLLOKOSA-N 387.270 4.339 70 40 GIIB Cc1cccc(-c2noc(CNC(=O)CSCc3ccccc3Cl)n2)c1 218032234 XRTONCUHQSMWAU-UHFFFAOYSA-N 387.892 4.248 70 40 GIIB COc1ccc(CSCC(=O)NCCCc2cccc(OC(C)C)c2)cc1 218113570 LNGLNQBJZXAGGQ-UHFFFAOYSA-N 387.545 4.465 70 40 GIIB Cc1ccc(S[C@@H](C)C(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)cc1 218144681 XLHDVOFTUFITME-INIZCTEOSA-N 381.501 4.493 70 40 GIIB O=C(c1cc2cc(F)ccc2s1)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1 217660168 PBVYAEJZMZJPEJ-QGZVFWFLSA-N 392.459 4.386 70 40 GIIB CCOc1ccc(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1OCC 218672916 BUXGRTGOSLCUIZ-CQSZACIVSA-N 377.868 4.221 70 40 GIIB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(Br)cc1 217870126 ZGXNURQIOSPVHL-MRXNPFEDSA-N 390.277 4.490 70 40 GIIB COc1ccc2c(c1)[C@H](NC(=O)c1cc3cccc(OC)c3o1)CC(C)(C)O2 218617319 MXZHICGMDCXJEE-MRXNPFEDSA-N 381.428 4.482 70 40 GIIB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)c1 217033517 PDLBANNCEJSHMB-GOSISDBHSA-N 382.504 4.182 70 40 GIIB Cc1ccc(OCCCC(=O)N(C)Cc2nc(-c3ccc(C)cc3)no2)cc1 218733757 ISHJQHQAKWLYQA-UHFFFAOYSA-N 379.460 4.171 70 40 GIIB O=C(NCCn1nc(-c2ccsc2)cc1C1CC1)NCc1ccc(F)cc1 217881195 UMAOALNPNDFPHK-UHFFFAOYSA-N 384.480 4.128 70 40 GIIB Cc1ccc(-c2noc(CNC(=O)CSCc3ccccc3Cl)n2)cc1 218032343 SOFWQKAYDUWSFV-UHFFFAOYSA-N 387.892 4.248 70 40 GIIB CCCOc1ccccc1CCCNC(=O)[C@H](CC)Oc1ccc(OC)cc1 218756966 FGBUPCSZALRVPB-NRFANRHFSA-N 385.504 4.390 70 40 GIIB CN1CCC(C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)CC1 216923143 SWDSMNXLHSUJHR-UHFFFAOYSA-N 378.516 4.495 70 40 GIIB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 217034776 USUMMPMDIIJRNX-QFIPXVFZSA-N 382.504 4.264 70 40 GIIB CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 217034247 RZHSHYSRINISGY-HXUWFJFHSA-N 386.467 4.095 70 40 GIIB CC[C@H](C(=O)Nc1sc2c(c1-c1nc(C)no1)CCOC2)c1ccccc1 217963915 IIMRAFAXHZEGOW-AWEZNQCLSA-N 383.473 4.312 70 40 GIIB C[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1nc(-c2ccccc2Cl)no1 218681253 PWKWFLLEGHGPHT-NSHDSACASA-N 392.242 4.127 70 40 GIIB C[C@@](O)(CNC(=O)c1ccccc1Br)c1cc2ccccc2s1 217504908 BJIVTMHGRPNDRF-GOSISDBHSA-N 390.302 4.301 70 40 GIIB COc1ccc(CNC(=O)/C=C/c2ccc(C(C)(C)C)cc2)c(OC)c1OC 217950152 VPMAXJNQJPKRBS-NTEUORMPSA-N 383.488 4.340 70 40 GIIB COc1cccc(-c2noc(CNC(=O)/C=C/c3ccc(C(C)(C)C)cc3)n2)c1 217955060 VHXQTVMEFABFAO-JLHYYAGUSA-N 391.471 4.372 70 40 GIIB COc1ccc(C(=O)Nc2ccc(NC(=O)Cc3ccccc3)cc2)cc1OC 216898689 VWJGDUIHJDUIOJ-UHFFFAOYSA-N 390.439 4.137 70 40 GIIB COc1ccc(/C=C(/C(=O)NCCC2CCN(C)CC2)c2ccccc2)cc1 216929765 FLBOJNNASHMCSK-PTGBLXJZSA-N 378.516 4.084 70 40 GIIB O=C(Oc1c(F)c(F)c(F)c(F)c1F)c1ccccc1OC1CCOCC1 100041616 WYPMTMHPUSJKHI-UHFFFAOYSA-N 388.288 4.159 70 40 GIIB CC[C@H](NC(=O)c1ccc(Br)cc1)c1ccc(OC)c(OC)c1 217870632 QRQTVMUPAKTQLD-HNNXBMFYSA-N 378.266 4.347 70 40 GIIB COc1ccc(/C=C/C(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1 217921808 YIJHKGGOBVGEOZ-FMIVXFBMSA-N 383.835 4.070 70 40 GIIB CCOC(=O)C(CC)=P(c1ccccc1)(c1ccccc1)c1ccccc1 135920287 NBSGNTVNBILPMQ-UHFFFAOYSA-N 376.436 4.126 70 40 GIIB Cc1ccc(S[C@H](C)C(=O)NCc2nc(-c3ccccc3Cl)no2)cc1 218143822 PJSROWFCMNYIRV-CYBMUJFWSA-N 387.892 4.495 70 40 GIIB CC[C@@H](NC(=O)CCSc1ccc(C)cc1)c1ccc(S(C)(=O)=O)cc1 218150712 ZQHODBJJNMZIBQ-LJQANCHMSA-N 391.558 4.148 70 40 GIIB O=C([C@H]1CC=CCC1)N1CCC(N2CCC(Oc3ccccc3F)CC2)CC1 217374966 STLKACDPPLPGIM-SFHVURJKSA-N 386.511 4.016 70 40 GIIB CC[C@H](NC(=O)CCSc1ccc(C)cc1)c1ccc(S(C)(=O)=O)cc1 218150775 ZQHODBJJNMZIBQ-IBGZPJMESA-N 391.558 4.148 70 40 GIIB CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 217025568 NQVRGTRLHGVGBF-OAQYLSRUSA-N 382.504 4.264 70 40 GIIB Cc1cccc(-c2noc(CNC(=O)CCCOc3ccc(Cl)cc3)n2)c1 218738256 RWQFSSCAPVRYQK-UHFFFAOYSA-N 385.851 4.174 70 40 GIIB COc1ccc(-c2noc(CN(C)C(=O)[C@@H](C)Sc3ccc(C)cc3)n2)cc1 218145263 OELPTXUXBRZARH-OAHLLOKOSA-N 397.500 4.193 70 40 GIIB O=C(/C=C\c1cccs1)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1 217795545 VTCRCJAKZOBKLM-FJVVXJACSA-N 397.475 4.432 70 40 GIIB COc1cccc(CCCNC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c1 218709928 AFNGIBCREUVQCL-INIZCTEOSA-N 375.896 4.482 70 40 GIIB Cc1ccc(-c2noc(CNC(=O)CSCc3ccc(Cl)cc3)n2)cc1 218045515 MZWHGBWLIYSCBF-UHFFFAOYSA-N 387.892 4.248 70 40 GIIB COc1ccc(OCCCC(=O)NCCCc2ccc(OC(C)C)cc2)cc1 218740386 JRZVAIRIYZHJPC-UHFFFAOYSA-N 385.504 4.390 70 40 GIIB CCS(=O)(=O)c1ccc(NC(=O)c2cc(C(C)C)n(-c3ccccc3)n2)cc1 160536742 WDWDXRAARPLLKX-UHFFFAOYSA-N 397.500 4.042 70 40 GIIB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)Cc1nc(-c2ccccc2)no1 218671018 KVKRKQPCLLXNOK-MRXNPFEDSA-N 393.487 4.460 70 40 GIIB Cc1ccc(C(=O)Nc2ccccc2C(C)C)cc1S(=O)(=O)N1CCCC1 218508468 UTMLYYOPEDUIDA-UHFFFAOYSA-N 386.517 4.155 70 40 GIIB CC[C@@H](NC(=O)/C=C/c1ccc(OC)c(OC)c1)c1ccc(OC)c(OC)c1 217925936 CNPPXIYZPHRGKL-FWVUHSSSSA-N 385.460 4.002 70 40 GIIB COc1ccc(OC[C@H](C)NC(=O)CSCc2cccc(Cl)c2)cc1 218035570 HTJBBADYQBOMGP-AWEZNQCLSA-N 379.909 4.166 70 40 GIIB CN1C(=O)c2ccccc2N(C)[C@@H]1c1ccn(-c2ccc(Br)cc2)c1 216713616 SOOIQCZMPBJXRZ-IBGZPJMESA-N 396.288 4.460 70 40 GIIB O=C([C@H]1CC=CCC1)N1CCC(N2CCC[C@H]2COCc2ccccc2)CC1 217597706 WFIFGIMAIHZLPQ-GMAHTHKFSA-N 382.548 4.015 70 40 GIIB CCSc1ccccc1C(=O)N(Cc1ccco1)Cc1nn(C)c2c1CCC2 217903959 LSCSLKDOBIRIDK-UHFFFAOYSA-N 395.528 4.456 70 40 GIIB COc1ccc(C(=O)N2CCC[C@@H](c3nnc(-c4ccccc4C)o3)C2)cc1 216647428 JXILMVLSDREWDH-QGZVFWFLSA-N 377.444 4.073 70 40 GIIB O=C1OC2(CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)c2ccccc21 217538543 RJLCRZNJUFYMQG-UHFFFAOYSA-N 390.361 4.399 70 40 GIIB COc1cccc(-c2noc(CN(C)C(=O)[C@@H](C)SCc3ccccc3)n2)c1 218074784 YTVCFXVFFHAANF-OAHLLOKOSA-N 397.500 4.026 70 40 GIIB Cc1ccc(OCC(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1C 218724009 PBDNAWJJEHWNEU-UHFFFAOYSA-N 385.851 4.044 70 40 GIIB Cc1cc(O[C@H](C)C(=O)NCc2nc(-c3ccccc3)no2)cc(C)c1Cl 218716650 PQWUYMHEKCOJQH-CQSZACIVSA-N 385.851 4.091 70 40 GIIB O=C(Nc1ccccc1)N1CCC(N2CCC[C@H]2COCc2ccccc2)CC1 217600656 KWFJWJSVLVAPDU-QHCPKHFHSA-N 393.531 4.364 70 40 GIIB COc1ccccc1CCCNC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 218709660 OBFSVEGJLFZSDA-MRXNPFEDSA-N 375.896 4.482 70 40 GIIB CSc1nc(Nc2ccc(Cl)cc2Cl)cc(N2CCN(C)CC2)n1 216851560 BIWQBMCGTUVLNE-UHFFFAOYSA-N 384.336 4.001 70 40 GIIB CSc1nc(Nc2cccc(Cl)c2Cl)cc(N2CCN(C)CC2)n1 216851515 YVBLDQGMBORIMK-UHFFFAOYSA-N 384.336 4.001 70 40 GIIB Cc1ccc(S[C@@H](C)C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1 218143933 JRSSEKZRFLBVJW-ZDUSSCGKSA-N 387.892 4.495 70 40 GIIB COc1cc(/C=C/[N+](=O)[O-])cc(Br)c1OCc1ccccc1F 217359152 GZDMWIJWLIQBHX-VOTSOKGWSA-N 382.185 4.423 70 40 GIIB Cc1ccc(-c2noc(CNC(=O)[C@H](C)Oc3ccc(C(C)(C)C)cc3)n2)cc1 218670018 XUZXOKUICUVWOV-INIZCTEOSA-N 393.487 4.426 70 40 GIIB Cc1cc(C)c(C)c(OCC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)c1 217012314 WTYQJWBNBKGIRC-UHFFFAOYSA-N 382.504 4.102 70 40 GIIB CCc1nc2ccc(C(=O)N3CCC4(CC3)OC(=O)c3ccccc34)cc2s1 217525749 UXHUHFAQIANNKT-UHFFFAOYSA-N 392.480 4.161 70 40 GIIB O=C(Nc1ccccc1Cc1nc(-c2cnccn2)no1)c1ccccc1Cl 217487859 MKDGAFBWMVRTJN-UHFFFAOYSA-N 391.818 4.023 70 40 GIIB COc1ccc(CNC(=O)CCc2ccc(C(C)(C)C)cc2)c(OC)c1OC 218537989 GQSQSQRIIZSOPT-UHFFFAOYSA-N 385.504 4.259 70 40 GIIB COc1ccc(CCNC(=O)/C(=C/c2ccco2)c2ccccc2)cc1OC 218096335 VKTCPHKQKFJTIM-CAPFRKAQSA-N 377.440 4.196 70 40 GIIB CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 217023682 AARXJXCECXXLRJ-QGZVFWFLSA-N 382.504 4.128 70 40 GIIB Cc1ccc(OCCCC(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1 218733390 QMEBIGUPIJVEMO-UHFFFAOYSA-N 385.851 4.174 70 40 GIIB O=C(NC[C@H]1CCCN(c2nccs2)C1)Nc1ccc(C(F)(F)F)cc1 218167512 PFELCGGDQGYIHC-GFCCVEGCSA-N 384.427 4.200 70 40 GIIB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)c(C)c1 217033028 HRWHFMCCJXVVES-GOSISDBHSA-N 382.504 4.182 70 40 GIIB C[SiH](C)O[C@H](c1cc(=O)c(OCc2ccccc2)c(C(=O)O)o1)C(C)(C)C 667996895 RPNPJQDQBLGNPI-GOSISDBHSA-N 390.508 4.004 70 40 GIIB Cc1c(C(N)=O)c2ccccc2n1C(=O)c1ccc(OCc2ccccc2)cc1 216947402 LLOVOZKJCDUKRD-UHFFFAOYSA-N 384.435 4.316 70 40 GIIB O=C(NCCn1ccc(-c2ccsc2)n1)Nc1cccc(C(F)(F)F)c1 217890871 DVSOGXFSBJWXPR-UHFFFAOYSA-N 380.395 4.452 70 40 GIIB COc1ccc([C@H]2CCCN2C(=O)CNc2nc(C)cc(C)n2)c2ccccc12 218179491 TWGFOKBMGCBUGM-HXUWFJFHSA-N 390.487 4.031 70 40 GIIB CC[C@@H](NC(=O)c1ccccc1Br)c1ccc(OC)c(OC)c1 218222721 XVMDQXBQPKIYJW-OAHLLOKOSA-N 378.266 4.347 70 40 GIIB Cc1cc(N2CCc3cc(S(=O)(=O)Cl)ccc32)nc(-c2ccccc2)n1 226105423 YBYCRMIDCVQNPY-UHFFFAOYSA-N 385.876 4.074 70 40 GIIB CCOc1ccc(-n2ccc([C@@H]3OCCN3Cc3ccc(OC)cc3)c2)cc1 216744252 NSOAYWBNGHUORO-QHCPKHFHSA-N 378.472 4.416 70 40 GIIB COc1ccc(-c2noc(CN(C)C(=O)[C@@H](C)SCc3ccccc3)n2)cc1 218074966 AGHWHFVOTPGWAV-OAHLLOKOSA-N 397.500 4.026 70 40 GIIB Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O 218452529 SNYDJPQLVKUFPD-HNNXBMFYSA-N 392.496 4.051 70 40 GIIB COc1cc(C(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)cc(OC)c1OC 218128439 MQYSIJMKDQYMHL-MRXNPFEDSA-N 385.460 4.053 70 40 GIIB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 218681335 NPRNDOBSUCHZEN-LLVKDONJSA-N 392.242 4.127 70 40 GIIB Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)c3ccccc3F)C2)n1 217827326 AGIQPTPMXQUFDK-INIZCTEOSA-N 379.435 4.279 70 40 GIIB Cc1c(NC(=O)/C(=C/c2ccco2)c2ccccc2)c(=O)n(-c2ccccc2)n1C 218097554 LKYNQTDNMMNREJ-LTGZKZEYSA-N 399.450 4.257 70 40 GIIB Cc1ccc([C@@H](C)NC(=O)c2ccc(I)cc2)cc1C 218214490 KSFYFOIHYXKZIG-CYBMUJFWSA-N 379.241 4.399 70 40 GIIB Cc1ccc(OCCNC(=O)CSCc2ccc(Br)cc2)cc1 218195994 FRNGWZNVZTWSIU-UHFFFAOYSA-N 394.334 4.186 70 40 GIIB Cc1ccc(-c2noc(CN(C)C(=O)[C@@H](C)SCc3ccccc3)n2)cc1 218074582 KSJSSWQJOLHIHC-MRXNPFEDSA-N 381.501 4.325 70 40 GIIB Cc1ccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3ccc(Cl)cc3)n2)cc1 218681693 PLSIMBQONUJNRE-AWEZNQCLSA-N 385.851 4.124 70 40 GIIB COc1cc(C(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)cc(OC)c1OC 218128229 KFQRNTUQXJUJMV-MRXNPFEDSA-N 385.460 4.053 70 40 GIIB O=C(c1ccc(C(F)(F)F)cc1)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1 217656644 GACCHCKDKIIKEC-KRWDZBQOSA-N 386.377 4.051 70 40 GIIB Cc1cccc(N2CCO[C@H]2c2cn(Cc3cccc(C(F)(F)F)c3)nn2)c1 216760414 DDZSEBXSDSTNNK-IBGZPJMESA-N 388.393 4.189 70 40 GIIB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CSCc1ccccc1 218012944 LLNMYIZIUKYENZ-UHFFFAOYSA-N 387.892 4.282 70 40 GIIB CC[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1)c1ccc(OC)c(OC)c1 218679990 RQIHFPQFCQKKQY-GUYCJALGSA-N 377.868 4.392 70 40 GIIB COc1ccc(CSCC(=O)NCCSCc2ccccc2C)cc1 218110976 ACGCCEJSWZTVHJ-UHFFFAOYSA-N 375.559 4.286 70 40 GIIB C[C@@H](SCc1ccccc1)C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 216929353 RQIUFLWTGBJUNC-GOSISDBHSA-N 398.572 4.098 70 40 GIIB COc1ccc2c(c1)[C@H](NC(=O)c1ccccc1Br)CC(C)(C)O2 218222104 RMTOXXUDXBFZIJ-MRXNPFEDSA-N 390.277 4.490 70 40 GIIB COc1ccc(OC[C@H](C)NC(=O)CCSc2ccc(Cl)cc2)cc1 218087108 LRZDFTWMMPINKT-AWEZNQCLSA-N 379.909 4.415 70 40 GIIB Cc1ccc(CSCC(=O)N(C)Cc2nc(-c3ccc(C)cc3)no2)cc1 218025967 VTFYJSGUIHXIJS-UHFFFAOYSA-N 381.501 4.245 70 40 GIIB CCOc1cccc(-n2ccc([C@@H]3OCCN3Cc3ccc(OC)cc3)c2)c1 216745166 DPQXPYPAOYMESL-QHCPKHFHSA-N 378.472 4.416 70 40 GIIB O=C(NC[C@@H]1CCCN(c2nccs2)C1)Nc1ccc(C(F)(F)F)cc1 218167461 PFELCGGDQGYIHC-LBPRGKRZSA-N 384.427 4.200 70 40 GIIB COc1ccc(OCCCC(=O)N[C@@H]2CC(C)(C)Oc3cc(OC)ccc32)cc1 218741630 JHZSIZOTNUIMBW-HXUWFJFHSA-N 399.487 4.281 70 40 GIIB O=C(CSCc1ccccc1Cl)NCc1nc(-c2cccs2)no1 218033007 PEZIYKCKTUNDBX-UHFFFAOYSA-N 379.894 4.001 70 40 GIIB CN1CCC(Oc2ccc(NC(=O)CSCc3ccc(F)cc3)cc2)CC1 217019295 VJGRTLSZSRURAZ-UHFFFAOYSA-N 388.508 4.171 70 40 GIIB Cc1cccc(-c2noc(CNC(=O)CCSc3ccc(Cl)cc3)n2)c1 218090503 APEBBONEVGQCTQ-UHFFFAOYSA-N 387.892 4.497 70 40 GIIB CCOc1cc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4CC[C@H](C4)[C@@H]23)ccc1O 217628948 DTEURNFLCFXMBC-PNBWRZCUSA-N 375.515 4.193 70 40 GIIB Cn1nc(CN(Cc2ccco2)C(=O)Nc2ccccc2Cl)c2c1CCC2 217905691 DWRARESYPYOYRJ-UHFFFAOYSA-N 384.867 4.390 70 40 GIIB CN1CCC(Oc2ccc(CNC(=O)/C=C/c3ccccc3Cl)cc2)CC1 216926578 SCEVLJACWOIYHN-DHZHZOJOSA-N 384.907 4.143 70 40 GIIB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)/C=C/c1ccc(OC)c(OC)c1 217925401 OMOYSKYZWAGKAB-DBEXCURXSA-N 397.471 4.144 70 40 GIIB COc1ccc(-c2noc(CN(C)C(=O)[C@H](C)Sc3ccc(C)cc3)n2)cc1 218145345 OELPTXUXBRZARH-HNNXBMFYSA-N 397.500 4.193 70 40 GIIB Cc1ccc(SCCC(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1 218151307 SLAGBZRYNVBTJP-UHFFFAOYSA-N 387.892 4.497 70 40 GIIB CN1CCC(Oc2ccc(NC(=O)CCSCc3ccccc3)cc2)CC1 217013954 NLBUZWPAIPLONC-UHFFFAOYSA-N 384.545 4.422 70 40 GIIB O=C(COc1ccc(Cl)cc1Cl)NCCCN1CCCc2ccccc21 217838871 LHOCRGPYZKZYLQ-UHFFFAOYSA-N 393.314 4.331 70 40 GIIB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(Br)cc1 217870060 ZGXNURQIOSPVHL-INIZCTEOSA-N 390.277 4.490 70 40 GIIB CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 217023642 AARXJXCECXXLRJ-KRWDZBQOSA-N 382.504 4.128 70 40 GIIB O=C(Cc1cccc2ccccc12)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 217809615 PNJXJRLWIBMCRG-MRXNPFEDSA-N 375.472 4.124 70 40 GIIB CCOc1ccccc1-n1ccc([C@H]2OCCN2Cc2ccc(OC)cc2)c1 216745095 DPUQVYUKEDKLND-HSZRJFAPSA-N 378.472 4.416 70 40 GIIB COc1ccc(CCCNC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 218710116 JOEFJKFRMPAHEP-INIZCTEOSA-N 375.896 4.482 70 40 GIIB Cc1ccccc1C1CC(N(C(=O)c2ccc(S(=O)(=O)F)cc2)C2CC2)C1 1265578393 HGWBICPEHYPKPJ-UHFFFAOYSA-N 387.476 4.204 70 40 GIIB COc1ccc(-c2noc(CN(C)C(=O)[C@H](C)SCc3ccccc3)n2)cc1 218075056 AGHWHFVOTPGWAV-HNNXBMFYSA-N 397.500 4.026 70 40 GIIB O=C(Oc1c(F)c(F)c(F)c(F)c1F)C1CCN(Cc2cccs2)CC1 100039509 ZANIAEUMQOHKCJ-UHFFFAOYSA-N 391.361 4.261 70 40 GIIB CCOc1ccc(CNC(=O)CSCc2ccc(OC)cc2)cc1OCC 218112419 ARNGZRYUKAZEND-UHFFFAOYSA-N 389.517 4.042 70 40 GIIB CC[C@@H](Oc1ccc(OC)cc1)C(=O)N[C@H]1CC(C)(C)Oc2ccc(OC)cc21 218758374 HEPIMKODJMKKHB-VQTJNVASSA-N 399.487 4.280 70 40 GIIB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](Br)C21OCCO1 4023157 WYIBGUUFQXYIQI-FQBWVUSXSA-N 393.321 4.365 70 40 GIIB CC[C@@H](NC(=O)[C@@H](C)Sc1ccc(C)cc1)c1ccc(S(C)(=O)=O)cc1 218142819 LMFNLTDJWTVYIK-DNVCBOLYSA-N 391.558 4.147 70 40 GIIB CCN(Cc1nc(-c2cccs2)no1)C(=O)c1cc2cccc(OC)c2o1 218620153 MYMJDSFLRZSXSU-UHFFFAOYSA-N 383.429 4.215 70 40 GIIB CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@H](C)Oc1ccc(Cl)cc1 218682851 BGGDMZOPIVZMSC-LBPRGKRZSA-N 391.880 4.268 70 40 GIIB Cl[Si](Cl)(Cl)O[Si](Cl)(Cl)O[Si](Cl)(Cl)Cl 253475974 CLXMTJZPFVPWAX-UHFFFAOYSA-N 399.880 4.237 70 40 GIIB Cc1nc(Nc2ccc(Oc3ccccc3)cc2)cc(N2CCN(C)CC2)n1 216849858 BHPUQLKPBCZQCQ-UHFFFAOYSA-N 375.476 4.073 70 40 GIIB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 216945867 HGZRIKIBPXNGKX-HNNXBMFYSA-N 388.895 4.219 70 40 GIIB COc1ccc(OCCCC(=O)N[C@H]2CC(C)(C)Oc3ccc(OC)cc32)cc1 218741551 ZEBGMGNNNFCVHB-FQEVSTJZSA-N 399.487 4.281 70 40 GIIB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)COc1ccc(Cl)cc1 217832386 IDQPFJFGRJSICK-KRWDZBQOSA-N 375.852 4.146 70 40 GIIB COc1cc(CNC(=O)/C(=C/c2ccco2)c2ccccc2)cc(OC)c1OC 218103501 SXTZTFLVURXSMS-XMHGGMMESA-N 393.439 4.162 70 40 GIIB CCCOc1ccccc1CCCNC(=O)[C@@H](CC)Oc1ccc(OC)cc1 218756924 FGBUPCSZALRVPB-OAQYLSRUSA-N 385.504 4.390 70 40 GIIB COc1ccc(CNC(=O)/C=C/c2ccc(Cl)cc2Cl)c(OC)c1OC 217904400 LZFKTMWUUJCMNQ-RMKNXTFCSA-N 396.270 4.349 70 40 GIIB Cc1ccc(CSCC(=O)NCc2nc(-c3ccccc3Cl)no2)cc1 218025533 LEVJTGJDSVNBNC-UHFFFAOYSA-N 387.892 4.248 70 40 GIIB Cc1ccc(-c2noc(CNC(=O)[C@@H](C)Oc3ccc(C(C)(C)C)cc3)n2)cc1 218669962 XUZXOKUICUVWOV-MRXNPFEDSA-N 393.487 4.426 70 40 GIIB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccccc1Br 218222301 YAKNMGPNUINWQM-MRXNPFEDSA-N 390.277 4.490 70 40 GIIB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1C 217032509 KPTYCFLNTFUQHG-SFHVURJKSA-N 382.504 4.182 70 40 GIIB CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCCCc1ccc(OC(C)C)cc1 218756203 GFQUDFMEBUNKRU-JOCHJYFZSA-N 385.504 4.389 70 40 GIIB COc1ccc2c(c1)[C@H](NC(=O)c1ccc(Br)cc1)CC(C)(C)O2 217869942 ZRFBBRYFWSJVGI-MRXNPFEDSA-N 390.277 4.490 70 40 GIIB CCOc1ccc(-n2ccc([C@H]3OCCN3Cc3ccc(OC)cc3)c2)cc1 216744302 NSOAYWBNGHUORO-HSZRJFAPSA-N 378.472 4.416 70 40 GIIB Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)NCc3cccs3)C2)n1 217832981 JNZBQKGFEKVJKN-INIZCTEOSA-N 396.516 4.271 70 40 GIIB CN(Cc1nc(-c2ccccc2)no1)C(=O)CSCc1ccccc1Cl 218033115 AGPPOGFYVPNYIU-UHFFFAOYSA-N 387.892 4.282 70 40 GIIB O=C(Nc1ccccc1)N1CCC(N2CCC[C@@H]2COCc2ccccc2)CC1 217600749 KWFJWJSVLVAPDU-HSZRJFAPSA-N 393.531 4.364 70 40 GIIB Cc1ccccc1-c1nc(C)c(CNS(=O)(=O)c2c(F)cccc2F)s1 217478112 OFTJUWXJVHQZGJ-UHFFFAOYSA-N 394.468 4.184 70 40 GIIB COc1cc(/C=C/C(=O)N2CCS[C@H]2c2ccsc2)cc(OC)c1OC 217636411 PYUDOGBZPOQDPI-PXPVJAHISA-N 391.514 4.061 70 40 GIIB O=C(NCCOc1ccccc1)Nc1ccccc1-c1cn2ccsc2n1 218659108 ZZYWBJFXJZZFRX-UHFFFAOYSA-N 378.457 4.263 70 40 GIIB COc1ccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)cc1Cl 217165831 KKROJGNYVQERSV-AQTBWJFISA-N 396.830 4.351 70 40 GIIB CC[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1)c1ccc(OC)c(OC)c1 218679916 RQIHFPQFCQKKQY-SUMWQHHRSA-N 377.868 4.392 70 40 GIIB CC[C@H](NC(=O)/C=C/c1ccc(OC)c(OC)c1)c1ccc(OC)c(OC)c1 217926017 CNPPXIYZPHRGKL-UEICXMAYSA-N 385.460 4.002 70 40 GIIB COc1ccc(OC[C@H](C)NC(=O)CSCc2c(F)cccc2Cl)cc1 218201355 FDIUSUGRFYOQTG-ZDUSSCGKSA-N 397.899 4.305 70 40 GIIB CC[C@@H](NC(=O)[C@H](C)Sc1ccc(C)cc1)c1ccc(S(C)(=O)=O)cc1 218142977 LMFNLTDJWTVYIK-HNAYVOBHSA-N 391.558 4.147 70 40 GIIB COc1ccc(-c2noc(CN(C)C(=O)CCSc3ccc(C)cc3)n2)cc1 218151895 ROLPPAKYVUDLJM-UHFFFAOYSA-N 397.500 4.194 70 40 GIIB CC[C@@H](NC(=O)CSc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1 217983562 QYRQBTZDELEZAB-QGZVFWFLSA-N 397.949 4.103 70 40 GIIB CCOc1ccccc1NC(=O)N(Cc1ccco1)Cc1nn(C)c2c1CCC2 217905817 QIKWWGXALZLNLV-UHFFFAOYSA-N 394.475 4.135 70 40 GIIB O=C(NCc1nc(-c2cccs2)no1)/C(=C/c1ccco1)c1ccccc1 218107450 RTKSJUPFMZQXNQ-FOWTUZBSSA-N 377.425 4.248 70 40 GIIB COc1cccc(-c2noc(CNC(=O)CCc3ccc(C(C)(C)C)cc3)n2)c1 218542691 DAWRWWCTVOWZMA-UHFFFAOYSA-N 393.487 4.292 70 40 GIIB CSc1nc(Nc2ccc(Cl)c(Cl)c2)cc(N2CCN(C)CC2)n1 216851601 FLJODOMNGWVRNW-UHFFFAOYSA-N 384.336 4.001 70 40 GIIB CCN(Cc1nc(-c2cccs2)no1)C(=O)CCCOc1ccc(C)cc1 218734417 KGYZNUUOHNKXEX-UHFFFAOYSA-N 385.489 4.314 70 40 GIIB O=S(=O)(Cl)c1ccc(Cc2ncc(C(F)(F)F)cc2Cl)s1 100920475 XXNHPPGKVRULAK-UHFFFAOYSA-N 376.208 4.334 70 40 GIIB C[C@H](SCc1ccccc1)C(=O)NCc1nc(-c2ccccc2Cl)no1 218073909 UUDOKCKERKUXKQ-ZDUSSCGKSA-N 387.892 4.328 70 40 GIIB CC(C)(C)OC(=O)NCCCCCC(=O)Oc1c(F)c(F)c(F)c(F)c1F 100496832 LKJUJCGSYDQCSV-UHFFFAOYSA-N 397.340 4.373 70 40 GIIB COc1ccc(/C=C/C(=O)NCCCc2ccc(Cl)cc2)c(OC)c1OC 218185258 UHBIWDWTIXNIOV-UKTHLTGXSA-N 389.879 4.128 70 40 GIIB CC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1ccc(S(C)(=O)=O)cc1 217856822 BHOHRBIJVKYKRJ-MRXNPFEDSA-N 386.300 4.278 70 40 GIIB COc1cc2c(cc1OC)CN(C(=O)[C@]13C[C@@H]4C[C@@H](C[C@@](Cl)(C4)C1)C3)CC2 217551832 XCBCTXCAAFBXLH-ABDWSBGNSA-N 389.923 4.166 70 40 GIIB COc1cccc2cc(C(=O)NCc3nc(-c4ccccc4Cl)no3)oc12 218618936 LXXUCWBSZHINKH-UHFFFAOYSA-N 383.791 4.075 70 40 GIIB O=C1OC2(CCN(C(=O)c3cc4cc(F)ccc4s3)CC2)c2ccccc21 217525382 WYLVJMASNPUHTM-UHFFFAOYSA-N 381.428 4.342 70 40 GIIB O=C(NCc1nc(-c2cccc(Br)c2)no1)c1cccc(Cl)c1 217854079 JIOWGCNCBFWYCD-UHFFFAOYSA-N 392.640 4.083 70 40 GIIB COc1ccc(CCCNC(=O)CSCc2c(F)cccc2Cl)cc1 218201191 ACPOVZLIPBDIDC-UHFFFAOYSA-N 381.900 4.470 70 40 GIIB Cc1cc(-c2cccs2)nn1CCNC(=O)c1cc(Br)cs1 217875441 MLNPQNPNSUNGIR-UHFFFAOYSA-N 396.335 4.174 70 40 GIIB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 216945848 HGZRIKIBPXNGKX-OAHLLOKOSA-N 388.895 4.219 70 40 GIIB CC(C)c1ccc(OCC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1 217011986 OXUIFUDRFYIPSP-UHFFFAOYSA-N 382.504 4.301 70 40 GIIB O=C(c1cc(-c2ccc3c(c2)OCO3)n[nH]1)N1CCCC[C@@H](c2ccccc2)C1 217490851 OFPLEXCBYQQIHJ-GOSISDBHSA-N 389.455 4.215 70 40 GIIB CN(Cc1nc(-c2cccs2)no1)C(=O)CSc1ccc(Cl)cc1 217985052 FYANAKSCYSDJDL-UHFFFAOYSA-N 379.894 4.202 70 40 GIIB COc1cccc(CCCNC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)c1 218709858 AFNGIBCREUVQCL-MRXNPFEDSA-N 375.896 4.482 70 40 GIIB CCOc1ccc(S(=O)(=O)Cl)cc1NC(=O)Nc1ccc(Cl)cc1 95698258 WVVZHHIJLVZEIV-UHFFFAOYSA-N 389.260 4.310 70 40 GIIB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)Cc1nc(-c2ccccc2)no1 218671094 KVKRKQPCLLXNOK-INIZCTEOSA-N 393.487 4.460 70 40 GIIB Cc1nc(Nc2ccccc2Oc2ccccc2)cc(N2CCN(C)CC2)n1 216850435 OVLSXDJCCHOVOW-UHFFFAOYSA-N 375.476 4.073 70 40 GIIB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 217034736 USUMMPMDIIJRNX-JOCHJYFZSA-N 382.504 4.264 70 40 GIIB CN1CCC(CC(=O)NCCSCc2c(Cl)cccc2Cl)CC1 216894091 LEWIFDSOOICPLY-UHFFFAOYSA-N 375.365 4.075 70 40 GIIB O=C(CSc1ccc(Cl)cc1)NCc1nc(-c2ccc(Cl)cc2)no1 217984227 NJWVSBLVNJQDEU-UHFFFAOYSA-N 394.283 4.452 70 40 GIIB COc1ccc(/C=C/C(=O)NCCCc2ccccc2Cl)c(OC)c1OC 218185129 JNCQQWQENKBGHF-ACCUITESSA-N 389.879 4.128 70 40 GIIB O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 217818231 FXZQVPGZONWBAM-LBPRGKRZSA-N 394.397 4.452 70 40 GIIB C[C@](O)(CNC(=O)Cc1c(F)cccc1Cl)c1cc2ccccc2s1 217507323 UVXUQWGYLOTIRX-IBGZPJMESA-N 377.868 4.260 70 40 GIIB COc1ccc(-c2noc(CNC(=O)CCc3ccc(C(C)(C)C)cc3)n2)cc1 218542763 ZWNXCDYNMMLETM-UHFFFAOYSA-N 393.487 4.292 70 40 GIIB CN(Cc1nc(-c2ccccc2)no1)C(=O)CSCc1ccc(Cl)cc1 218046186 JOYIJJGKWLQORX-UHFFFAOYSA-N 387.892 4.282 70 40 GIIB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 217023281 MIRCJDLTGXLYPE-HNNXBMFYSA-N 388.895 4.219 70 40 GIIB COc1ccc(OC[C@@H](C)NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1 217987303 JGLQYGDRLGUBID-KGLIPLIRSA-N 379.909 4.413 70 40 GIIB CC[C@@H](NC(=O)CCCOc1ccc(OC)cc1)c1ccc(OC)c(OC)c1 218742163 MGWBSZHKLWZMBW-LJQANCHMSA-N 387.476 4.139 70 40 GIIB COc1ccc(OC[C@H](C)NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1 217987227 JGLQYGDRLGUBID-UONOGXRCSA-N 379.909 4.413 70 40 GIIB O=C(Nc1ccccc1Cc1nc(-c2cnccn2)no1)c1cc2ccccc2o1 217488634 QKLJNLHEKTZNHD-UHFFFAOYSA-N 397.394 4.116 70 40 GIIB C[C@](O)(CNC(=O)c1ccc(OC(F)(F)F)cc1)c1cc2ccccc2s1 217506722 OTEHIULMPORNCS-SFHVURJKSA-N 395.402 4.437 70 40 GIIB COc1ccc(OC[C@@H](C)NC(=O)CSCc2cccc(Cl)c2)cc1 218035488 HTJBBADYQBOMGP-CQSZACIVSA-N 379.909 4.166 70 40 GIIB COc1ccc(C(=O)N2CCC(c3nnc(-c4ccccc4C)o3)CC2)cc1 216632026 UJADLKQZYZCKSP-UHFFFAOYSA-N 377.444 4.073 70 40 GIIB CN(Cc1nc(-c2cccc(Br)c2)no1)C(=O)/C=C/c1ccccc1 217886368 NEBJAIYYHJHQHD-ZHACJKMWSA-N 398.260 4.171 70 40 GIIB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 217014686 HXRWXAZYPGIMOQ-OAHLLOKOSA-N 388.895 4.219 70 40 GIIB CCN(Cc1nc(-c2cccs2)no1)C(=O)c1ccc(CN2CCCC2)cc1 218611834 LKNNPZNUBPVQQR-UHFFFAOYSA-N 396.516 4.056 70 40 GIIB C[C@@H](SCc1ccccc1)C(=O)NCc1nc(-c2ccccc2Cl)no1 218073821 UUDOKCKERKUXKQ-CYBMUJFWSA-N 387.892 4.328 70 40 GIIB CN1CCC(CCNC(=O)c2ccc(OCCSc3ccccc3)cc2)CC1 217019468 ZRSXLCMUXBJAKJ-UHFFFAOYSA-N 398.572 4.319 70 40 GIIB Cc1cc(CCC(=O)N2CCC[C@@]3(C2)OC(=O)c2ccccc23)ccc1Cl 217580228 VOOXKINNFZOVNZ-QFIPXVFZSA-N 383.875 4.269 70 40 GIIB CC(C)c1ccccc1NC(=O)[C@@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O 218470422 DBNCXLLQRJIBCX-CQSZACIVSA-N 394.924 4.257 70 40 GIIB COc1cccc2cc(C(=O)N(C)Cc3nc(-c4cccc(C)c4)no3)oc12 218619269 UXEPXGADPLVOSP-UHFFFAOYSA-N 377.400 4.072 70 40 GIIB O=C(Nc1cc(S(=O)(=O)F)ccc1Cl)c1ccc2ccccc2c1O 104136443 WMRZGWKAUQTPLD-UHFFFAOYSA-N 379.796 4.109 70 40 GIIB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1cc2cccc(OC)c2o1 218617489 FQTAIEKWIBUEEY-MRXNPFEDSA-N 381.428 4.482 70 40 GIIB O=C(c1ccc(C(F)(F)F)cc1)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1 217656559 GACCHCKDKIIKEC-QGZVFWFLSA-N 386.377 4.051 70 40 GIIB Cn1nc(CN(Cc2ccco2)C(=O)c2nc3ccccc3s2)cc1C1CC1 217895538 UQOUBFOLWBACMU-UHFFFAOYSA-N 392.484 4.343 70 40 GIIB Cn1nc(CN(C(=O)NCc2ccc(Cl)cc2)C2CCCC2)c2c1CCC2 217912069 MAUVGLARSBIRGO-UHFFFAOYSA-N 386.927 4.217 70 40 GIIB CN1CCC(Oc2ccc(NC(=O)c3ccc(Br)cc3)cc2)CC1 216925837 RBTZJHQGVMZQOQ-UHFFFAOYSA-N 389.293 4.174 70 40 GIIB COc1cc(C(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)cc(OC)c1OC 218128327 KFQRNTUQXJUJMV-INIZCTEOSA-N 385.460 4.053 70 40 GIIB Cc1cc(N2c3ccc(S(=O)(=O)Cl)cc3C[C@@H]2C)nc(-c2ccccc2)n1 226105453 QSWYXZWVCCFFAX-AWEZNQCLSA-N 399.903 4.462 70 40 GIIB COc1ccc(OC[C@@H](C)NC(=O)CCSc2ccc(Cl)cc2)cc1 218087021 LRZDFTWMMPINKT-CQSZACIVSA-N 379.909 4.415 70 40 GIIB COc1ccc(/C=C/C(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)cc1OC 217925101 YRDFNSIWQHSUNT-MZEUMTGBSA-N 381.472 4.444 70 40 GIIB CC(=O)C(Br)=P(c1ccccc1)(c1ccccc1)c1ccccc1 101051390 XBBPVGNCZVUDQI-UHFFFAOYSA-N 397.252 4.094 70 40 GIIB COc1ccc(OCCCC(=O)N[C@H]2CC(C)(C)Oc3cc(OC)ccc32)cc1 218741686 JHZSIZOTNUIMBW-FQEVSTJZSA-N 399.487 4.281 70 40 GIIB CC(C)c1ccc(CCCNC(=O)c2ccc(CN3CCOCC3)cc2)cc1 218077744 KZVJNSSSGGXQHU-UHFFFAOYSA-N 380.532 4.005 70 40 GIIB COc1ccc(OC[C@@H](C)NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 218710348 UVBSTHQDSAAUEF-CVEARBPZSA-N 391.895 4.316 70 40 GIIB CN1C(=O)c2ccccc2N(C)[C@H]1c1ccn(-c2ccccc2Br)c1 216714581 XLLLVCMOLPUKJF-LJQANCHMSA-N 396.288 4.460 70 40 GIIB O=C(c1ccsc1)N1CCC(N2CCC[C@@H]2COCc2ccccc2)CC1 217596024 PFIRDXZJWACQMT-OAQYLSRUSA-N 384.545 4.034 70 40 GIIB Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)Cc3cccs3)C2)n1 217828628 GJSDYRZIXPWJKK-INIZCTEOSA-N 381.501 4.130 70 40 GIIB Cc1ccc(CSCC(=O)NCc2ccc(OC3CCN(C)CC3)cc2)cc1 216928535 NYPJENZDEWRXPP-UHFFFAOYSA-N 398.572 4.018 70 40 GIIB Cn1nc(CN(C(=O)c2nc3ccccc3s2)C2CCCC2)c2c1CCC2 217910910 WGEUCBVQBODZLB-UHFFFAOYSA-N 380.517 4.104 70 40 GIIB COc1ccc(OCCCC(=O)NCCCc2cccc(OC(C)C)c2)cc1 218740315 XQMMRLHGIIHDSK-UHFFFAOYSA-N 385.504 4.390 70 40 GIIB COc1ccc(/C=C/C(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)cc1OC 217924838 UJGJXQCKFBRDKF-VEGGFIAOSA-N 381.472 4.444 70 40 GIIB Cc1ccc(-c2noc(CNC(=O)CSCc3cccc(Cl)c3)n2)cc1 218039191 OPYRESSIHCFZLA-UHFFFAOYSA-N 387.892 4.248 70 40 GIIB Cc1ccc(S[C@H](C)C(=O)N(C)Cc2nc(-c3ccc(C)cc3)no2)cc1 218144964 KVXRTVQAABWBDM-MRXNPFEDSA-N 381.501 4.493 70 40 GIIB Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)Cc3ccsc3)C2)n1 217831933 XIKURKIJHADFDM-MRXNPFEDSA-N 381.501 4.130 70 40 GIIB O=C(CC(c1ccccc1)c1ccccc1)NC[C@H]1CCCN1c1nccs1 217769478 UZQQKQLTMGCMSD-HXUWFJFHSA-N 391.540 4.450 70 40 GIIB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1cc2cccc(OC)c2o1 218617414 FQTAIEKWIBUEEY-INIZCTEOSA-N 381.428 4.482 70 40 GIIB CCOc1cc([C@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4CC[C@H](C4)[C@@H]23)ccc1O 217628862 DTEURNFLCFXMBC-CVGMDAAVSA-N 375.515 4.193 70 40 GIIB Cc1ccn(-c2ccccc2NC(=O)c2cnn(-c3ccccc3F)c2C)n1 161129891 BODFYABPTZJXGV-UHFFFAOYSA-N 375.407 4.066 70 40 GIIB CC[C@H](NC(=O)/C=C/c1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1 217961346 ADPMUCSWBWGUDC-LGWVBRRBSA-N 377.893 4.024 70 40 GIIB CCCOc1ccccc1CCCNC(=O)CCCOc1ccc(OC)cc1 218740754 XVNRFSHEUCTSJR-UHFFFAOYSA-N 385.504 4.392 70 40 GIIB COc1ccc(OC[C@H](C)NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 218710290 UVBSTHQDSAAUEF-JKSUJKDBSA-N 391.895 4.316 70 40 GIIB CN(Cc1nc(-c2cccs2)no1)C(=O)CSCc1cccc(Cl)c1 218040639 NOLDPXDUVUSWFG-UHFFFAOYSA-N 393.921 4.343 70 40 GIIB Cc1ccc(S[C@H](C)C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1 218144018 JRSSEKZRFLBVJW-CYBMUJFWSA-N 387.892 4.495 70 40 GIIB CC[C@H](Oc1ccc(OC)cc1)C(=O)NCCCc1ccc(OC(C)C)cc1 218756243 GFQUDFMEBUNKRU-QFIPXVFZSA-N 385.504 4.389 70 40 GIIB Cc1cc(O[C@@H](C)C(=O)NCc2nc(-c3ccccc3)no2)cc(C)c1Cl 218716574 PQWUYMHEKCOJQH-AWEZNQCLSA-N 385.851 4.091 70 40 GIIB CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 217025608 NQVRGTRLHGVGBF-NRFANRHFSA-N 382.504 4.264 70 40 GIIB CC(C)(NC(=O)c1nn(CC2CCOCC2)c2ccccc12)c1ccccc1 218736102 HINCNLQQLQFMRD-UHFFFAOYSA-N 377.488 4.128 70 40 GIIB in-vitro CC[C@@H](Oc1ccc(OC)cc1)C(=O)N[C@H](CC)c1ccc(OC)c(OC)c1 218759097 HDQVKLMBYCNWLB-RTBURBONSA-N 387.476 4.137 70 40 GIIB COC1CCN(C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)CC1 217781732 NVRDFHSRADPYSP-UHFFFAOYSA-N 378.516 4.069 70 40 GIIB CC[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1ccc(S(C)(=O)=O)cc1 217856912 BHOHRBIJVKYKRJ-INIZCTEOSA-N 386.300 4.278 70 40 GIIB O=C(CCc1ccc(Cl)c(C(F)(F)F)c1)NCCSC1CCOCC1 217704125 LXGMEAFKMUALEU-UHFFFAOYSA-N 395.874 4.320 70 40 GIIB Cc1ccc(-c2noc(CNC(=O)[C@H](C)Sc3ccc(Cl)cc3)n2)cc1 217994141 BPLJELQAUDLUKD-ZDUSSCGKSA-N 387.892 4.495 70 40 GIIB Cc1ccc(S[C@H](C)C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)cc1 216930724 SXNISZTYVPFSPI-GOSISDBHSA-N 398.572 4.265 70 40 GIIB COc1cc(C(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)cc(OC)c1OC 218128513 MQYSIJMKDQYMHL-INIZCTEOSA-N 385.460 4.053 70 40 GIIB Cc1cc(C)n(-c2ccc(C(=O)Oc3c(F)c(F)c(F)c(F)c3F)cc2)n1 100039520 GQQALUKKLLEHOR-UHFFFAOYSA-N 382.288 4.404 70 40 GIIB CCOc1ccc(CNC(=O)COc2ccc(Cl)cc2Cl)cc1OCC 217834243 DFIUKYJCXIGBNA-UHFFFAOYSA-N 398.286 4.486 70 40 GIIB Cn1nc(CN(Cc2ccco2)C(=O)NCc2ccc(Cl)cc2)cc1C1CC1 217897143 RGQFQWOBOJUEBT-UHFFFAOYSA-N 398.894 4.456 70 40 GIIB O=C(Nc1ccsc1-c1nc(C2CC2)no1)c1cc(=O)c2ccccc2o1 217286418 WRBAKFSEIXBTCX-UHFFFAOYSA-N 379.397 4.034 70 40 GIIB COc1ccc(OC[C@H](C)NC(=O)CCCOc2ccc(Cl)cc2)cc1 218735716 PDOOMJWJDHUOHC-HNNXBMFYSA-N 377.868 4.091 70 40 GIIB O=C(COc1ccc(Cl)cc1Cl)NCCn1ccc(-c2ccsc2)n1 217885117 URDKTTSGFIGVSJ-UHFFFAOYSA-N 396.299 4.114 70 40 GIIB COc1ccc2c(c1)[C@@H](NC(=O)c1ccccc1Br)CC(C)(C)O2 218222031 RMTOXXUDXBFZIJ-INIZCTEOSA-N 390.277 4.490 70 40 GIIB Cc1cccc(-c2noc(CN(C)C(=O)[C@@H](C)SCc3ccccc3)n2)c1 218074398 LWYPNFGTELTKFZ-MRXNPFEDSA-N 381.501 4.325 70 40 GIIB Cc1ccc(SCCC(=O)N(C)Cc2nc(-c3ccc(C)cc3)no2)cc1 218151794 OEDHWFDEKAHCPL-UHFFFAOYSA-N 381.501 4.494 70 40 GIIB CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2cc(OC)ccc21 218758528 AGJLERFLNSOKEJ-UXHICEINSA-N 399.487 4.280 70 40 GIIB CCOc1ccc(CNC(=O)c2ccccc2Br)cc1OCC 218220954 HQCFKEPZKSHBGJ-UHFFFAOYSA-N 378.266 4.177 70 40 GIIB COc1ccc(CCNC(=O)N(Cc2cc(C3CC3)n(C)n2)C2CCCC2)cc1 217900755 MPIOJVCHEGPEOR-UHFFFAOYSA-N 396.535 4.003 70 40 GIIB COc1ccc(/C=C/C(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)cc1OC 217925019 YRDFNSIWQHSUNT-VEGGFIAOSA-N 381.472 4.444 70 40 GIIB O=C(CCc1ccc(C(F)(F)F)cc1)NC[C@@](O)(c1ccccc1)C1CC1 217579146 IWBNLDAKYIJIEU-HXUWFJFHSA-N 377.406 4.052 70 40 GIIB Cc1ccc(-c2noc(CN(C)C(=O)[C@H](C)SCc3ccccc3)n2)cc1 218074684 KSJSSWQJOLHIHC-INIZCTEOSA-N 381.501 4.325 70 40 GIIB COc1ccc(C(=O)N2CCC[C@@H](c3nnc(-c4ccc(C)cc4)o3)C2)cc1 216649695 QQEHIGVBHWOBQX-GOSISDBHSA-N 377.444 4.073 70 40 GIIB COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)Nc1ccccc1C(F)(F)F 218013696 CHCLNPLNVREHBY-IBGZPJMESA-N 394.393 4.060 70 40 GIIB CC[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1 217961264 ADPMUCSWBWGUDC-QPEODSHDSA-N 377.893 4.024 70 40 GIIB COc1ccc(OC[C@H](C)NC(=O)CSCc2ccc(Cl)cc2)cc1 218042089 JRTKZHUWZGWOHC-AWEZNQCLSA-N 379.909 4.166 70 40 GIIB Cc1nc(-c2ccccc2Cl)sc1CNS(=O)(=O)c1cccs1 217478766 IQHUTBQSJOYBKR-UHFFFAOYSA-N 384.935 4.312 70 40 GIIB Cc1ccc(-c2noc(CNC(=O)[C@@H](C)Sc3ccc(Cl)cc3)n2)cc1 217994073 BPLJELQAUDLUKD-CYBMUJFWSA-N 387.892 4.495 70 40 GIIB COc1ccc(C(=O)NCC2(c3ccsc3)CCCC2)c(OC)c1OC 217482729 XURJDTAIBFFJIH-UHFFFAOYSA-N 375.490 4.016 70 40 GIIB COc1ccc(CNC(=O)CCSc2ccc(Cl)cc2)c(OC)c1OC 218085881 LGFHRLCLVMOWAX-UHFFFAOYSA-N 395.908 4.164 70 40 GIIB Cc1c(C(N)=O)c2ccccc2n1C(=O)c1cccc(OCc2ccccc2)c1 216943810 LFGVWBXXFDJMPO-UHFFFAOYSA-N 384.435 4.316 70 40 GIIB O=[N+]([O-])c1ccc(OS(=O)(=O)C(F)(F)F)cc1S(F)(F)(F)(F)F 103631405 BHVPQYYMDBKMSX-UHFFFAOYSA-N 397.221 4.481 70 40 GIIB Cc1ccccc1CSCC(=O)Nc1ccc(OC2CCN(C)CC2)cc1 216928378 IILILEFVBTXWFC-UHFFFAOYSA-N 384.545 4.340 70 40 GIIB CC[C@H](NC(=O)CSc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1 217983637 QYRQBTZDELEZAB-KRWDZBQOSA-N 397.949 4.103 70 40 GIIB COc1ccc(C(=O)N2CCC(c3nnc(-c4ccc(C)cc4)o3)CC2)cc1 216633247 ZFLHUBPQTKJIAZ-UHFFFAOYSA-N 377.444 4.073 70 40 GIIB COc1ccc([C@@H]2CCCN2C(=O)CNc2nc(C)cc(C)n2)c2ccccc12 218179406 TWGFOKBMGCBUGM-FQEVSTJZSA-N 390.487 4.031 70 40 GIIB COc1ccc(OC[C@@H](C)NC(=O)CSCc2c(F)cccc2Cl)cc1 218201302 FDIUSUGRFYOQTG-CYBMUJFWSA-N 397.899 4.305 70 40 GIIB COC(=O)c1[nH]c2ccccc2c1NC(=O)[C@@]12C[C@@H]3C[C@@H](C[C@@](Cl)(C3)C1)C2 217631865 FYOQZXZMHZKLLH-NOKWSWOQSA-N 386.879 4.471 70 40 GIIB COc1cccc(C(=O)N2CCC[C@H](Cc3nc(-c4ccccc4C)no3)C2)c1 217827189 BEFDSYIEVPDNFV-QGZVFWFLSA-N 391.471 4.149 70 40 GIIB O=C(c1cc2cc(F)ccc2s1)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1 217660256 PBVYAEJZMZJPEJ-KRWDZBQOSA-N 392.459 4.386 70 40 GIIB CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(OC)cc21 218758336 HEPIMKODJMKKHB-UXHICEINSA-N 399.487 4.280 70 40 GIIB CSc1ccc(CCC(=O)N2CC[C@@H](n3cc(-c4ccccc4)nn3)C2)cc1 217659463 PFZUGGPQHGLXDV-LJQANCHMSA-N 392.528 4.073 70 40 GIIB COc1ccccc1CCCNC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1 218709744 OBFSVEGJLFZSDA-INIZCTEOSA-N 375.896 4.482 70 40 GIIB O=C(c1ccccc1SC(F)F)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 217815088 WBZNGMPPULWOET-LBPRGKRZSA-N 393.459 4.357 70 40 GIIB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1nc(-c2ccccc2Cl)no1 218681197 PWKWFLLEGHGPHT-LLVKDONJSA-N 392.242 4.127 70 40 GIIB COc1cccc2cc(C(=O)Nc3ccc(OC4CCN(C)CC4)cc3)oc12 218620481 VSZNKKNTZQZLGJ-UHFFFAOYSA-N 380.444 4.167 70 40 GIIB C[C@](O)(CNC(=O)c1ccccc1Br)c1cc2ccccc2s1 217504988 BJIVTMHGRPNDRF-SFHVURJKSA-N 390.302 4.301 70 40 GIIB COc1ccc2c(c1)[C@H](NC(=O)COc1ccc(Cl)cc1)CC(C)(C)O2 217832263 FPUVBAJXIGTVOG-QGZVFWFLSA-N 375.852 4.146 70 40 GIIB Cc1ccc(OCCCC(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)cc1 218733664 LPBHWBHLBWJWST-UHFFFAOYSA-N 379.460 4.171 70 40 GIIB Cc1ccc(-c2noc(CN(C)C(=O)CSc3ccc(Cl)cc3)n2)cc1 217984522 TVEIZTQKGAIPBI-UHFFFAOYSA-N 387.892 4.449 70 40 GIIB Fc1ccc(N2CCO[C@@H]2c2cn(Cc3cccc(C(F)(F)F)c3)nn2)cc1 216771612 HMCCXWWWMODPRT-GOSISDBHSA-N 392.356 4.020 70 40 GIIB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)c1C 217025265 ZPFVOHZYZCNYNI-SFHVURJKSA-N 382.504 4.182 70 40 GIIB COc1cccc2cc(C(=O)N(CCc3cccs3)C3CCOCC3)oc12 217495246 RHQRVYQONZRRGJ-UHFFFAOYSA-N 385.485 4.367 70 40 GIIB CN(Cc1nc(-c2cccs2)no1)C(=O)CSCc1ccc(Cl)cc1 218046890 PCKGMXHVWZGSQT-UHFFFAOYSA-N 393.921 4.343 70 40 GIIB COc1cccc2cc(C(=O)N(C)Cc3nc(-c4ccc(C)cc4)no3)oc12 218619360 VERFVUWFXPRTLL-UHFFFAOYSA-N 377.400 4.072 70 40 GIIB O=C(c1ccccc1SC(F)F)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 217815022 WBZNGMPPULWOET-GFCCVEGCSA-N 393.459 4.357 70 40 GIIB Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)Cc3cccs3)C2)n1 217828709 GJSDYRZIXPWJKK-MRXNPFEDSA-N 381.501 4.130 70 40 GIIB CN(CCNC(=O)CSCc1c(Cl)cccc1Cl)c1ccccc1 218154293 MPJWMQKPILJRBE-UHFFFAOYSA-N 383.344 4.479 70 40 GIIB CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@@H](C)Oc1ccc(Cl)cc1 218682784 BGGDMZOPIVZMSC-GFCCVEGCSA-N 391.880 4.268 70 40 GIIB C[C@H](SCc1ccccc1)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 218074084 DLVVUFNPJUXOJU-ZDUSSCGKSA-N 387.892 4.328 70 40 GIIB CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1)c1ccc(OC)c(OC)c1 218679755 RQIHFPQFCQKKQY-CXAGYDPISA-N 377.868 4.392 70 40 GIIB O=C(NC[C@@H]1CCCN1c1nc2ccccc2o1)c1ccccc1C(F)(F)F 217647803 DFODTOOSWBPOCQ-ZDUSSCGKSA-N 389.377 4.245 70 40 GIIB Cc1cc(OC2CCN(C(=O)c3ccc(-c4ccsc4)cc3)CC2)cc(=O)o1 217770204 XPDBHKALQXGLBU-UHFFFAOYSA-N 395.480 4.360 70 40 GIIB Cc1nc(-c2ccccc2NC(=O)c2ccc(N3CCOCC3)cc2)cs1 218597534 KHHAEWPRIBCHSU-UHFFFAOYSA-N 379.485 4.207 70 40 GIIB COc1cccc(-c2noc(CN(C)C(=O)[C@@H](C)Sc3ccc(C)cc3)n2)c1 218145069 YABYWWPDYNDIEQ-OAHLLOKOSA-N 397.500 4.193 70 40 GIIB Cc1ccccc1CSCC(=O)NCc1ccc(OC2CCN(C)CC2)cc1 216928409 LCLFEKVPNRNCSK-UHFFFAOYSA-N 398.572 4.018 70 40 GIIB COc1ccc(OC[C@H](C)NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 218710434 UVBSTHQDSAAUEF-HOTGVXAUSA-N 391.895 4.316 70 40 GIIB Cn1nc(CN(Cc2ccco2)C(=O)Nc2c(F)cccc2F)c2c1CCC2 217905578 MSNCAFFEBJLURH-UHFFFAOYSA-N 386.402 4.014 70 40 GIIB Cc1ccc(-c2noc(CNC(=O)[C@@H](C)Oc3cc(C)c(Cl)c(C)c3)n2)cc1 218716753 GDUKAXWEQBOFRG-OAHLLOKOSA-N 399.878 4.399 70 40 GIIB Cc1ccc([C@H](C)NC(=O)c2ccc(I)cc2)cc1C 218214561 KSFYFOIHYXKZIG-ZDUSSCGKSA-N 379.241 4.399 70 40 GIIB COc1ccc(OCCCC(=O)N[C@@H]2CC(C)(C)Oc3ccc(OC)cc32)cc1 218741496 ZEBGMGNNNFCVHB-HXUWFJFHSA-N 399.487 4.281 70 40 GIIB CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@H](CC)c1ccc(OC)c(OC)c1 218759175 HDQVKLMBYCNWLB-MOPGFXCFSA-N 387.476 4.137 70 40 GIIB Cn1nc(CN(C(=O)c2ccc(F)cc2Cl)C2CCCC2)c2c1CCC2 217910468 HIHJGPDXHPGQAT-UHFFFAOYSA-N 375.875 4.286 70 40 GIIB CN(CCCNC(=O)CSCc1c(F)cccc1Cl)c1ccccc1 218206324 RVQZNFINXHXPDB-UHFFFAOYSA-N 380.916 4.355 70 40 GIIB COc1cccc(-c2noc(CN(C)C(=O)[C@H](C)SCc3ccccc3)n2)c1 218074874 YTVCFXVFFHAANF-HNNXBMFYSA-N 397.500 4.026 70 40 GIIB O=C(Nc1cnn(CC2CCOCC2)c1)NC(c1ccccc1)c1ccccc1 218237546 CBYRJELCZWPLAI-UHFFFAOYSA-N 390.487 4.221 70 40 GIIB COc1ccc(OC[C@@H](C)NC(=O)CCCOc2ccc(Cl)cc2)cc1 218735655 PDOOMJWJDHUOHC-OAHLLOKOSA-N 377.868 4.091 70 40 GIIB Cc1noc(-c2c(NC(=O)c3ccc4ncsc4c3)sc3c2CCOC3)n1 217963153 GOLVRKJQDHLILC-UHFFFAOYSA-N 398.469 4.041 70 40 GIIB COc1cccc2cc(C(=O)N(C)Cc3nc(-c4ccc(Cl)cc4)no3)oc12 218619857 ZLLSIXXFXVOERH-UHFFFAOYSA-N 397.818 4.417 70 40 GIIB Fc1ccc(N2CCO[C@H]2c2cn(Cc3cccc(C(F)(F)F)c3)nn2)cc1 216771677 HMCCXWWWMODPRT-SFHVURJKSA-N 392.356 4.020 70 40 GIIB CC[C@H](Oc1ccc(OC)cc1)C(=O)NCCCc1cccc(OC(C)C)c1 218756141 HLTHIRROHZRVSI-QFIPXVFZSA-N 385.504 4.389 70 40 GIIB CCOc1ccccc1-n1ccc([C@@H]2OCCN2Cc2ccc(OC)cc2)c1 216745036 DPUQVYUKEDKLND-QHCPKHFHSA-N 378.472 4.416 70 40 GIIB Cc1cc(O[C@H](C)C(=O)N(C)Cc2nc(-c3ccccc3)no2)cc(C)c1Cl 218717731 FABBKVGAXCKAAZ-OAHLLOKOSA-N 399.878 4.433 70 40 GIIB CC[C@@H](Oc1ccc(OC)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2cc(OC)ccc21 218758484 AGJLERFLNSOKEJ-WOJBJXKFSA-N 399.487 4.280 70 40 GIIB COc1ccc(C(=O)N2CCC[C@H](c3nnc(-c4ccccc4C)o3)C2)cc1 216647473 JXILMVLSDREWDH-KRWDZBQOSA-N 377.444 4.073 70 40 GIIB O=C([C@@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CCCC[C@@H](c2ccc(F)cc2)C1 217493239 IWIXNEGSWLWWPJ-QZTJIDSGSA-N 398.453 4.114 70 40 GIIB O=C(/C(=C/c1ccco1)c1ccccc1)N1CCN(c2ccc(F)cc2)CC1 218098326 YCAYLCUDTBLPHS-OQKWZONESA-N 376.431 4.308 70 40 GIIB CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCCCc1cccc(OC(C)C)c1 218756097 HLTHIRROHZRVSI-JOCHJYFZSA-N 385.504 4.389 70 40 GIIB COc1ccc2c(c1)[C@@H](NC(=O)c1cc3cccc(OC)c3o1)CC(C)(C)O2 218617237 MXZHICGMDCXJEE-INIZCTEOSA-N 381.428 4.482 70 40 GIIB O=C(Cc1cccc2ccccc12)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 217809680 PNJXJRLWIBMCRG-INIZCTEOSA-N 375.472 4.124 70 40 GIIB O=C(NCC1(c2ccsc2)CCCC1)C(=O)Nc1ccc(C(F)(F)F)cc1 217485566 AEUOWJRODCREGO-UHFFFAOYSA-N 396.434 4.334 70 40 GIIB O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 217818140 FXZQVPGZONWBAM-GFCCVEGCSA-N 394.397 4.452 70 40 GIIB Cc1ccc(S[C@@H](C)C(=O)NCc2nc(-c3ccccc3Cl)no2)cc1 218143745 PJSROWFCMNYIRV-ZDUSSCGKSA-N 387.892 4.495 70 40 GIIB COc1cccc2cc(C(=O)N(C)Cc3nc(-c4ccccc4Cl)no3)oc12 218619746 ZXNRMUMXBXUFFG-UHFFFAOYSA-N 397.818 4.417 70 40 GIIB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)COc1ccc(Cl)cc1 217832450 IDQPFJFGRJSICK-QGZVFWFLSA-N 375.852 4.146 70 40 GIIB O=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1O 95731334 PMSVUDQOUYXZBH-UHFFFAOYSA-N 396.426 4.371 70 40 GIIB Cc1ccc(-c2noc(CNC(=O)[C@H](C)Oc3cc(C)c(Cl)c(C)c3)n2)cc1 218716834 GDUKAXWEQBOFRG-HNNXBMFYSA-N 399.878 4.399 70 40 GIIB CC(C)Sc1ccc(CC(=O)N2CCC[C@H](Cc3nc(C4CC4)no3)C2)cc1 217813088 IWQJRVXDQBECJS-QGZVFWFLSA-N 399.560 4.471 70 40 GIIB Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)N(c1ccc(F)cc1)S(C)(=O)=O 218452454 SNYDJPQLVKUFPD-OAHLLOKOSA-N 392.496 4.051 70 40 GIIB CN1C(=O)c2ccccc2N(C)[C@H]1c1ccn(-c2cccc(Br)c2)c1 216713433 UXEYNBXCJXLNQD-LJQANCHMSA-N 396.288 4.460 70 40 GIIB COc1ccc(OC[C@@H](C)NC(=O)CSCc2ccc(Cl)cc2)cc1 218042004 JRTKZHUWZGWOHC-CQSZACIVSA-N 379.909 4.166 70 40 GIIB COc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1 217987141 JGLQYGDRLGUBID-ZIAGYGMSSA-N 379.909 4.413 70 40 GIIB COc1ccc(OC[C@@H](C)NC(=O)/C(=C/c2ccco2)c2ccccc2)cc1 218102684 OGNCUOSVUGLNBV-HRKXOBMBSA-N 377.440 4.413 70 40 GIIB CC[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1)c1ccc(OC)c(OC)c1 218679851 RQIHFPQFCQKKQY-DYVFJYSZSA-N 377.868 4.392 70 40 GIIB Cc1cc(-c2ccncc2)nn1CCNC(=O)C(c1ccccc1)c1ccccc1 217868738 ODUBHBIOVVYTKX-UHFFFAOYSA-N 396.494 4.202 70 40 GIIB CCCOc1ccccc1CCCNC(=O)CSCc1ccc(OC)cc1 218114349 DXLLZTWHYCZQMJ-UHFFFAOYSA-N 387.545 4.466 70 40 GIIB COc1cc(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2)ccc1OC(C)C 218673115 JGJJWDGOWOAQMO-CQSZACIVSA-N 377.868 4.220 70 40 GIIB CSc1ccc(CCC(=O)N2CC[C@H](n3cc(-c4ccccc4)nn3)C2)cc1 217659392 PFZUGGPQHGLXDV-IBGZPJMESA-N 392.528 4.073 70 40 GIIB COc1ccccc1CCCNC(=O)CSCc1c(F)cccc1Cl 218200963 XFMZVQNTJPINBA-UHFFFAOYSA-N 381.900 4.470 70 40 GIIB CC(C)Sc1ccc(CC(=O)N2CCC[C@@H](Cc3nc(C4CC4)no3)C2)cc1 217813170 IWQJRVXDQBECJS-KRWDZBQOSA-N 399.560 4.471 70 40 GIIB Cc1cccc(O[C@H](C)C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)c1C 217025306 ZPFVOHZYZCNYNI-GOSISDBHSA-N 382.504 4.182 70 40 GIIB COc1cccc(-c2noc(CN(C)C(=O)/C=C/c3ccc(Cl)cc3)n2)c1 217962528 BVDPVNGJOKSXCN-DHZHZOJOSA-N 383.835 4.070 70 40 GIIB O=C(CCSc1ccc(Cl)cc1)NCc1nc(-c2cccs2)no1 218091205 RRXPSVUYBZLQEZ-UHFFFAOYSA-N 379.894 4.250 70 40 GIIB CC[C@@H](Oc1ccc(OC)cc1)C(=O)N[C@H]1CC(C)(C)Oc2cc(OC)ccc21 218758574 AGJLERFLNSOKEJ-VQTJNVASSA-N 399.487 4.280 70 40 GIIB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 217026709 BDTNGSRVIOBFCD-OAQYLSRUSA-N 386.467 4.095 70 40 GIIB CC1(C)C[C@@H](NC(=O)CN2C(=O)c3cccc4cccc2c34)c2ccccc2O1 218317364 MPOHFPMHHFWVTE-GOSISDBHSA-N 386.451 4.219 70 40 GIIB Cc1cccc(-c2noc(CNC(=O)[C@H](C)Sc3ccc(Cl)cc3)n2)c1 217993963 NJNAXXGYDRIMCK-ZDUSSCGKSA-N 387.892 4.495 70 40 GIIB COc1ccc(CSCC(=O)NCCCc2ccc(OC(C)C)cc2)cc1 218113666 OSDYXPQKWDOUNQ-UHFFFAOYSA-N 387.545 4.465 70 40 GIIB COc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 218663829 QMVYGVYHDYUIAG-IAGOWNOFSA-N 385.504 4.344 70 40 GIIB C[C@@]1(CC(=O)Oc2c(F)c(F)c(F)c(F)c2F)OCCc2sccc21 100047425 BUMVUDPJNUNDAR-INIZCTEOSA-N 378.318 4.227 70 40 GIIB Cn1nc(CN(Cc2ccco2)C(=O)CSc2ccc(F)cc2)cc1C1CC1 217895653 KZNVOADXSHTMBM-UHFFFAOYSA-N 399.491 4.351 70 40 GIIB COc1cccc(-c2noc(CN(C)C(=O)[C@H](C)Sc3ccc(C)cc3)n2)c1 218145151 YABYWWPDYNDIEQ-HNNXBMFYSA-N 397.500 4.193 70 40 GIIB C[SiH](C)O[C@@H](c1cc(=O)c(OCc2ccccc2)c(C(=O)O)o1)C(C)(C)C 667996896 RPNPJQDQBLGNPI-SFHVURJKSA-N 390.508 4.004 70 40 GIIB O=C(c1ccsc1)N1CCC(N2CCC[C@H]2COCc2ccccc2)CC1 217595952 PFIRDXZJWACQMT-NRFANRHFSA-N 384.545 4.034 70 40 GIIB COc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)cc1 218749644 BAAZAZMMTFBRFF-INIZCTEOSA-N 375.424 4.332 70 40 GIIB COC(=O)c1sc(C(F)(F)F)c(-c2cccs2)c1S(=O)(=O)Cl 97945796 XRTWUSZITCHBRV-UHFFFAOYSA-N 390.813 4.210 70 40 GIIB COc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 218710222 UVBSTHQDSAAUEF-HZPDHXFCSA-N 391.895 4.316 70 40 GIIB Cc1ccc(OCCCC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1 216946624 VBBTUGKBVXLJEX-UHFFFAOYSA-N 382.504 4.266 70 40 GIIB COc1ccccc1/C=C/C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 217969782 MDNIFVWLXVBFNS-FMIVXFBMSA-N 383.835 4.070 70 40 GIIB Cc1ccccc1CSCC(=O)NCc1nc(-c2ccccc2Cl)no1 218019181 MVTWOIUUQCQNSG-UHFFFAOYSA-N 387.892 4.248 70 40 GIIB COc1ccc(OC[C@H](C)NC(=O)CSCc2ccccc2Cl)cc1 218028540 APNLCIHNXDPGEK-AWEZNQCLSA-N 379.909 4.166 70 40 GIIB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccccc1Br 218222217 YAKNMGPNUINWQM-INIZCTEOSA-N 390.277 4.490 70 40 GIIB CC[C@H](NC(=O)CCCOc1ccc(OC)cc1)c1ccc(OC)c(OC)c1 218742222 MGWBSZHKLWZMBW-IBGZPJMESA-N 387.476 4.139 70 40 GIIB COc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)cc1 218749684 BAAZAZMMTFBRFF-MRXNPFEDSA-N 375.424 4.332 70 40 GIIB O=[N+]([O-])c1ccc(OCc2ccc(S(=O)(=O)F)cc2Cl)c(Cl)c1 104171024 FZBZFFUILTZGGT-UHFFFAOYSA-N 380.180 4.139 70 40 GIIB COc1ccc(/C=C/C(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1 217921885 GRPXXWGWXGWABP-LFYBBSHMSA-N 383.835 4.070 70 40 GIIB CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@H]1CC(C)(C)Oc2ccc(OC)cc21 218758417 HEPIMKODJMKKHB-PMACEKPBSA-N 399.487 4.280 70 40 GIIB O=[N+]([O-])c1ccc(OCc2ccc(Cl)c(S(=O)(=O)F)c2)c(Cl)c1 104171011 MFPPRPXTQPJLAS-UHFFFAOYSA-N 380.180 4.139 70 40 GIIB C[C@H](SCc1ccccc1)C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 216929374 RQIUFLWTGBJUNC-SFHVURJKSA-N 398.572 4.098 70 40 GIIB Cc1ccc(N2CCO[C@@H]2c2cn(Cc3cccc(C(F)(F)F)c3)nn2)cc1 216762245 TXTYVHQONGHIKF-LJQANCHMSA-N 388.393 4.189 70 40 GIIB O=C(CN1C(=O)c2cccc3cccc1c23)NCCCc1ccc(Cl)cc1 218316079 LZEGVLBBGMOVHQ-UHFFFAOYSA-N 378.859 4.202 70 40 GIIB O=C(NCCn1ccnc1-c1ccccn1)NC(c1ccccc1)c1ccccc1 217863268 JJKYQPPVXYMETL-UHFFFAOYSA-N 397.482 4.034 70 40 GIIB CC[C@@H](C(=O)Nc1sc2c(c1-c1nc(C)no1)CCOC2)c1ccccc1 217963996 IIMRAFAXHZEGOW-CQSZACIVSA-N 383.473 4.312 70 40 GIIB CC(C)c1ccccc1NC(=O)[C@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O 218470492 DBNCXLLQRJIBCX-AWEZNQCLSA-N 394.924 4.257 70 40 GIIB Cc1ccc(SCC(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1 217979516 MQTSZZPXPXGMRC-UHFFFAOYSA-N 387.892 4.449 70 40 GIIB Cc1ccc(S[C@@H](C)C(=O)N(C)Cc2nc(-c3ccc(C)cc3)no2)cc1 218144885 KVXRTVQAABWBDM-INIZCTEOSA-N 381.501 4.493 70 40 GIIB COc1cc2c(cc1OC)CN(C(=O)[C@@]13C[C@@H]4C[C@@H](C[C@](Cl)(C4)C1)C3)CC2 217551921 XCBCTXCAAFBXLH-JWTIFCDKSA-N 389.923 4.166 70 40 GIIB CN(Cc1nc(-c2ccccc2)no1)C(=O)CCCOc1ccc(Cl)cc1 218738688 OWADJRUVFJGHJA-UHFFFAOYSA-N 385.851 4.208 70 40 GIIB CC(C)Sc1ccc(CC(=O)NCCn2ccc(-c3ccsc3)n2)cc1 217887497 IEEGTUMISKCRRC-UHFFFAOYSA-N 385.558 4.471 70 40 GIIB Cc1ccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3ccc(Cl)cc3)n2)cc1 218681630 PLSIMBQONUJNRE-CQSZACIVSA-N 385.851 4.124 70 40 GIIB Cc1ccc(-c2noc(CNC(=O)/C(=C/c3ccco3)c3ccccc3)n2)cc1 218106790 ZGQBRQJWUFDRNO-XSFVSMFZSA-N 385.423 4.495 70 40 GIIB C[C@](O)(CNC(=O)NC12CC3CC(CC(C3)C1)C2)c1cc2ccccc2s1 217523183 UOWUBJKQWHXXTF-BZSBBKHJSA-N 384.545 4.377 70 40 GIIB Cc1ccc(CSCC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1 216928509 MNXVSWOJMAKDQH-UHFFFAOYSA-N 384.545 4.340 70 40 GIIB CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@H]1CC(C)(C)Oc2cc(OC)ccc21 218758610 AGJLERFLNSOKEJ-PMACEKPBSA-N 399.487 4.280 70 40 GIIB O=C(NCc1nn(C2CCCC2)c2c1COCC2)c1cccc(C(F)(F)F)c1 217587549 QMLWVVSGGPERPI-UHFFFAOYSA-N 393.409 4.020 70 40 GIIB O=C(NC[C@H]1CCCN1c1nc2ccccc2o1)c1ccccc1C(F)(F)F 217647882 DFODTOOSWBPOCQ-CYBMUJFWSA-N 389.377 4.245 70 40 GIIB Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)NCc3cccs3)C2)n1 217833044 JNZBQKGFEKVJKN-MRXNPFEDSA-N 396.516 4.271 70 40 GIIB CN1CCC(Oc2ccc(NC(=O)COc3ccc(C(C)(C)C)cc3)cc2)CC1 217011172 JPEOHDQPDMCYBV-UHFFFAOYSA-N 396.531 4.475 70 40 GIIB Cc1ccc(-c2noc(CNC(=O)CCCOc3ccc(Cl)cc3)n2)cc1 218738314 KBBYWLXHQHHBPG-UHFFFAOYSA-N 385.851 4.174 70 40 GIIB CC[C@@H](NC(=O)c1ccc(Br)cc1)c1ccc(OC)c(OC)c1 217870563 QRQTVMUPAKTQLD-OAHLLOKOSA-N 378.266 4.347 70 40 GIIB Cc1ccc(CSCC(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1 218025639 KCKSHTDIUIXRJX-UHFFFAOYSA-N 387.892 4.248 70 40 GIIB Cc1ccc(/C=C/C(=O)NCc2nc(-c3cccc(Br)c3)no2)cc1 218182131 YATMLLNHLJYGNQ-MDZDMXLPSA-N 398.260 4.137 70 40 GIIB O=C(CCc1c(F)cccc1Cl)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1 217659105 GDQOVXPFNVTRGF-INIZCTEOSA-N 398.869 4.144 70 40 GIIB Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)c3cc(C4CC4)on3)C2)n1 217831136 AWWHAHLMIPXTLX-HNNXBMFYSA-N 392.459 4.005 70 40 GIIB O=C(CN1C(=O)c2cccc3cccc1c23)NCCCc1ccccc1Cl 218315979 IGLKDXNNVGCICO-UHFFFAOYSA-N 378.859 4.202 70 40 GIIB O=C(/C(=C/c1ccco1)c1ccccc1)N1CCN(c2ccccc2F)CC1 218098428 ITXHKZSEGLSHKL-LVZFUZTISA-N 376.431 4.308 70 40 GIIB O=C(NCCSC1CCOCC1)c1ccc2noc(-c3ccccc3)c2c1 217706003 XWNAMVCNLGJSHV-UHFFFAOYSA-N 382.485 4.137 70 40 GIIB CN(Cc1nc(-c2ccccc2)no1)C(=O)CSCc1cccc(Cl)c1 218039869 KPFRWXPHJJSIJM-UHFFFAOYSA-N 387.892 4.282 70 40 GIIB O=[N+]([O-])c1ccc(OS(=O)(=O)C(F)(F)F)c2sc3ccccc3c12 145356354 ROIZNOHTZJGZAD-UHFFFAOYSA-N 377.321 4.191 70 40 GIIB O=C([C@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CCCC[C@H](c2ccc(F)cc2)C1 217493471 IWIXNEGSWLWWPJ-ROUUACIJSA-N 398.453 4.114 70 40 GIIB O=C(c1ccsc1)N1CCC(N2CCC(Oc3ccccc3F)CC2)CC1 217590853 ULKXACNFCUWRTM-UHFFFAOYSA-N 388.508 4.035 70 40 GIIB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)c1 217024446 NXVRBIFGTNCRQI-IBGZPJMESA-N 396.531 4.491 70 40 GIIB CC[C@H](NC(=O)/C=C/c1ccccc1Cl)c1ccc(S(C)(=O)=O)cc1 217903056 OSKIJIGIHHHICN-HGZMWJMZSA-N 377.893 4.024 70 40 GIIB COc1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)CC(C)(C)O2 217869902 ZRFBBRYFWSJVGI-INIZCTEOSA-N 390.277 4.490 70 40 GIIB CN1CCC(Oc2ccc(CNC(=O)CCSCc3ccccc3)cc2)CC1 217014007 CKKRFFILOQKYTH-UHFFFAOYSA-N 398.572 4.099 70 40 GIIB COc1cccc([C@H]2SCCN2C(=O)c2cc(-c3ccc(F)cc3)nn2C)c1 217638491 ZYCVLLAKTLWMSY-OAQYLSRUSA-N 397.475 4.123 70 40 GIIB COc1cc(/C=C/C(=O)N2CCS[C@@H]2c2ccsc2)cc(OC)c1OC 217636335 PYUDOGBZPOQDPI-VZSQWMKGSA-N 391.514 4.061 70 40 GIIB